#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y7d s LEU 2 N 0.00 4.41 0.60 7.52 1.43 -1.26 -5.07 118.68 126.31 1y7d s LEU 2 Ca 0.00 1.56 -0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1y7d s LEU 2 Cb 0.00 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.83 1y7d s LEU 2 CO 0.00 -0.13 0.90 -0.94 0.23 0.00 0.00 176.35 176.41 1y7d s SER 3 N 0.50 5.47 0.23 2.29 1.04 -1.26 -4.86 113.70 117.10 1y7d s SER 3 Ca 0.45 0.62 -0.06 0.00 0.48 0.00 0.00 55.95 57.44 1y7d s SER 3 Cb -0.21 -1.57 0.36 0.00 0.10 0.00 0.00 66.02 64.71 1y7d s SER 3 CO 0.26 -1.13 1.79 -0.65 0.98 0.00 0.00 173.24 174.48 1y7d h PRO 4 N -0.20 0.65 -0.49 4.02 0.11 -1.99 0.04 132.00 134.14 1y7d h PRO 4 Ca -0.45 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1y7d h PRO 4 Cb 1.27 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1y7d h PRO 4 CO 0.60 0.43 0.29 0.00 -0.21 0.00 0.00 178.00 179.11 1y7d h ALA 5 N 1.44 0.62 -0.30 -0.75 0.00 -2.00 -1.42 119.26 116.86 1y7d h ALA 5 Ca 0.37 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1y7d h ALA 5 Cb 0.38 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1y7d h ALA 5 CO -0.26 -0.01 -0.01 -0.44 0.00 0.00 0.00 179.25 178.52 1y7d h ASP 6 N 0.58 -0.15 -0.49 0.00 3.32 -1.60 -1.35 116.42 116.73 1y7d h ASP 6 Ca 0.19 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.35 1y7d h ASP 6 Cb 0.01 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1y7d h ASP 6 CO -0.09 -0.04 0.26 0.11 -1.72 0.00 0.00 179.24 177.76 1y7d h LYS 7 N 0.07 0.49 -0.76 3.56 1.57 -0.36 -0.14 116.57 121.00 1y7d h LYS 7 Ca 0.14 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1y7d h LYS 7 Cb 0.20 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1y7d h LYS 7 CO -0.25 0.32 0.46 1.15 -0.57 0.00 0.00 179.45 180.56 1y7d h THR 8 N 0.51 1.21 -0.31 -0.16 2.02 -1.08 -1.39 112.91 113.71 1y7d h THR 8 Ca 0.21 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1y7d h THR 8 Cb 0.10 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1y7d h THR 8 CO -0.14 0.22 0.17 0.78 0.37 0.00 0.00 175.52 176.92 1y7d h ASN 9 N 1.04 0.39 -0.30 4.18 -0.26 -0.51 -1.72 115.58 118.40 1y7d h ASN 9 Ca 0.27 -0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.89 1y7d h ASN 9 Cb -0.04 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1y7d h ASN 9 CO -0.05 0.36 0.05 0.58 -1.06 0.00 0.00 177.43 177.31 1y7d h VAL 10 N 0.38 1.23 -0.31 2.81 2.07 -0.87 -1.37 116.25 120.19 1y7d h VAL 10 Ca 0.11 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 1y7d h VAL 10 Cb 0.06 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1y7d h VAL 10 CO -0.02 0.26 -0.05 0.11 0.02 0.00 0.00 177.57 177.89 1y7d h LYS 11 N 0.31 0.49 0.16 1.57 1.57 -1.18 -0.38 116.57 119.11 1y7d h LYS 11 Ca 0.09 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1y7d h LYS 11 Cb 0.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1y7d h LYS 11 CO 0.01 0.56 -0.08 0.00 -0.57 0.00 0.00 179.45 179.37 1y7d h ALA 12 N 1.48 -0.22 -0.17 3.86 0.00 -1.16 0.74 119.26 123.80 1y7d h ALA 12 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1y7d h ALA 12 Cb 0.39 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1y7d h ALA 12 CO 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 179.25 178.86 1y7d h ALA 13 N 0.13 0.22 -0.13 0.00 0.00 -1.20 -2.17 119.26 116.12 1y7d h ALA 13 Ca -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1y7d h ALA 13 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1y7d h ALA 13 CO 0.04 -0.11 -0.12 2.35 0.00 0.00 0.00 179.25 181.41 1y7d h TRP 14 N 0.06 0.20 -0.47 0.00 2.91 -1.13 -1.91 115.95 115.62 1y7d h TRP 14 Ca 0.05 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.11 1y7d h TRP 14 Cb 0.31 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 28.85 1y7d h TRP 14 CO 0.02 0.32 0.19 0.78 -1.03 0.00 0.00 178.44 178.72 1y7d h GLY 15 N 0.68 0.63 1.99 2.65 0.00 -0.54 -1.38 103.07 107.10 1y7d h GLY 15 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1y7d h GLY 15 CO 0.02 0.04 -0.44 0.50 0.00 0.00 0.00 176.54 176.67 1y7d h LYS 16 N 0.38 0.01 -0.28 4.80 1.79 -0.72 -2.90 116.57 119.65 1y7d h LYS 16 Ca 0.22 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.71 1y7d h LYS 16 Cb 0.20 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1y7d h LYS 16 CO -0.20 0.45 0.10 0.28 -1.08 0.00 0.00 179.45 178.99 1y7d h VAL 17 N 0.01 0.93 0.00 0.50 2.07 -0.79 -3.46 116.25 115.51 1y7d h VAL 17 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1y7d h VAL 17 Cb 0.78 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1y7d h VAL 17 CO 0.06 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1y7d n GLY 18 N -1.19 3.27 0.00 2.17 0.00 -1.07 -1.58 105.19 106.79 1y7d n GLY 18 Ca -0.01 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1y7d n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y7d n ALA 19 N 10.52 1.52 1.07 4.61 0.00 -1.26 -2.60 120.51 134.36 1y7d n ALA 19 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1y7d n ALA 19 Cb 0.00 -1.15 0.11 0.00 0.00 0.00 0.00 19.45 18.41 1y7d n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y7d n HIS 20 N -1.40 0.00 -0.24 0.00 8.25 -0.61 -4.51 115.22 116.71 1y7d n HIS 20 Ca 0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1y7d n HIS 20 Cb 0.10 -0.01 0.15 0.00 1.12 0.00 0.00 29.99 31.34 1y7d n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y7d h ALA 21 N 4.20 0.80 -0.14 -1.41 0.00 -1.61 -0.99 119.26 120.12 1y7d h ALA 21 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1y7d h ALA 21 Cb 0.80 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1y7d h ALA 21 CO 0.00 -0.38 -0.28 0.78 0.00 0.00 0.00 179.25 179.37 1y7d h GLY 22 N 0.18 -0.35 1.08 0.00 0.00 -1.84 0.97 103.07 103.12 1y7d h GLY 22 Ca 0.38 0.35 -0.03 0.00 0.00 0.00 0.00 47.33 48.04 1y7d h GLY 22 CO -0.55 -0.21 0.41 -2.09 0.00 0.00 0.00 176.54 174.10 1y7d h GLU 23 N -0.35 1.19 -0.11 4.80 4.81 -1.73 -2.31 114.58 120.87 1y7d h GLU 23 Ca 0.10 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 1y7d h GLU 23 Cb 0.51 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1y7d h GLU 23 CO -0.34 0.90 -0.55 1.88 -0.73 0.00 0.00 179.01 180.17 1y7d h TYR 24 N 1.18 0.42 -0.33 0.92 0.99 -0.83 -2.41 116.97 116.91 1y7d h TYR 24 Ca 0.29 -0.15 -0.13 0.00 2.00 0.00 0.00 58.73 60.74 1y7d h TYR 24 Cb 0.09 -0.08 -0.01 0.00 1.00 0.00 0.00 36.73 37.73 1y7d h TYR 24 CO 0.01 0.81 -0.33 0.78 -0.00 0.00 0.00 178.16 179.43 1y7d h GLY 25 N 1.31 0.78 0.89 3.88 0.00 -0.45 -1.67 103.07 107.82 1y7d h GLY 25 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 1y7d h GLY 25 CO 0.09 0.67 -0.00 0.00 0.00 0.00 0.00 176.54 177.30 1y7d h ALA 26 N 1.02 0.43 -0.48 3.60 0.00 -1.28 -2.48 119.26 120.06 1y7d h ALA 26 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1y7d h ALA 26 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1y7d h ALA 26 CO 0.07 0.18 -0.13 1.49 0.00 0.00 0.00 179.25 180.86 1y7d h GLU 27 N 0.36 0.91 -0.60 0.00 4.81 -1.38 -1.73 114.58 116.95 1y7d h GLU 27 Ca 0.09 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1y7d h GLU 27 Cb 0.44 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1y7d h GLU 27 CO 0.02 0.99 0.32 0.00 -0.73 0.00 0.00 179.01 179.60 1y7d h ALA 28 N 1.03 1.44 0.06 2.92 0.00 -1.21 0.10 119.26 123.61 1y7d h ALA 28 Ca 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y7d h ALA 28 Cb 0.67 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1y7d h ALA 28 CO 0.05 0.46 -0.03 -0.07 0.00 0.00 0.00 179.25 179.66 1y7d h LEU 29 N 0.83 -0.07 -0.42 0.00 3.38 -0.97 -2.22 115.31 115.85 1y7d h LEU 29 Ca 0.21 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1y7d h LEU 29 Cb 0.03 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1y7d h LEU 29 CO -0.03 0.37 0.14 -0.08 0.09 0.00 0.00 178.44 178.93 1y7d h GLU 30 N -0.52 0.29 -0.72 1.13 4.81 -1.08 -0.62 114.58 117.87 1y7d h GLU 30 Ca -0.01 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 1y7d h GLU 30 Cb 0.46 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1y7d h GLU 30 CO 0.01 0.19 0.36 0.00 -0.73 0.00 0.00 179.01 178.84 1y7d h ARG 31 N 0.30 0.58 -0.50 1.92 3.08 -0.96 -1.26 114.38 117.55 1y7d h ARG 31 Ca 0.20 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 1y7d h ARG 31 Cb 0.19 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1y7d h ARG 31 CO -0.21 0.38 -0.07 1.98 -1.07 0.00 0.00 179.97 180.98 1y7d h MET 32 N 0.60 0.93 -0.36 0.04 4.05 -0.69 -0.87 114.93 118.63 1y7d h MET 32 Ca 0.36 -0.33 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1y7d h MET 32 Cb 0.39 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 1y7d h MET 32 CO -0.28 0.99 0.15 0.74 0.23 0.00 0.00 176.91 178.74 1y7d h PHE 33 N 0.79 0.54 -0.15 1.39 0.04 -0.69 -0.41 116.94 118.44 1y7d h PHE 33 Ca 0.13 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 1y7d h PHE 33 Cb 0.62 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 1y7d h PHE 33 CO 0.05 0.48 -0.21 -0.07 -0.60 0.00 0.00 178.31 177.96 1y7d h LEU 34 N 0.44 0.44 0.00 1.54 3.38 -1.21 -3.19 115.31 116.70 1y7d h LEU 34 Ca 0.12 -0.52 -0.15 0.00 0.09 0.00 0.00 57.88 57.43 1y7d h LEU 34 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1y7d h LEU 34 CO -0.01 0.87 -0.83 0.28 0.09 0.00 0.00 178.44 178.84 1y7d h SER 35 N 0.01 0.00 -2.50 -0.43 0.02 -1.17 -3.41 113.55 106.07 1y7d h SER 35 Ca 0.01 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.37 1y7d h SER 35 Cb 0.77 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.93 1y7d h SER 35 CO 0.05 0.63 -0.91 -0.36 -1.14 0.00 0.00 176.83 175.10 1y7d s PHE 36 N -2.89 1.32 0.58 3.45 0.40 -0.17 -5.01 117.98 115.67 1y7d s PHE 36 Ca 0.02 -2.35 0.28 0.00 -0.60 0.00 0.00 56.93 54.27 1y7d s PHE 36 Cb 0.08 -1.13 1.57 0.00 0.51 0.00 0.00 43.02 44.06 1y7d s PHE 36 CO 0.78 -0.80 2.03 -1.35 0.70 0.00 0.00 175.22 176.58 1y7d h PRO 37 N 5.80 0.00 0.00 0.24 0.11 -1.73 -1.99 132.00 134.44 1y7d h PRO 37 Ca 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1y7d h PRO 37 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1y7d h PRO 37 CO 0.40 0.00 -0.05 1.79 -0.21 0.00 0.00 178.00 179.92 1y7d h THR 38 N 0.00 0.58 0.00 -1.15 1.35 -1.91 -2.55 112.91 109.23 1y7d h THR 38 Ca 0.14 -0.22 -0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1y7d h THR 38 Cb 0.73 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1y7d h THR 38 CO -0.00 0.05 -0.01 0.71 -0.25 0.00 0.00 175.52 176.02 1y7d h THR 39 N 0.00 0.03 0.00 6.82 1.35 -1.67 -2.82 112.91 116.62 1y7d h THR 39 Ca -0.00 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 1y7d h THR 39 Cb 0.14 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1y7d h THR 39 CO 0.01 0.01 -0.07 0.11 -0.25 0.00 0.00 175.52 175.33 1y7d h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.65 -3.01 116.57 118.20 1y7d h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y7d h LYS 40 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1y7d h LYS 40 CO 0.00 0.07 0.00 0.25 -0.57 0.00 0.00 179.45 179.20 1y7d n THR 41 N -3.21 0.97 1.08 -0.16 -2.24 -1.06 -1.09 114.28 108.56 1y7d n THR 41 Ca 0.00 0.62 0.12 0.00 -2.27 0.00 0.00 64.05 62.52 1y7d n THR 41 Cb 0.33 -1.60 0.24 0.00 -2.10 0.00 0.00 70.33 67.20 1y7d n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1y7d n TYR 42 N -2.28 0.00 -2.49 4.78 4.01 -1.14 -4.31 117.16 115.73 1y7d n TYR 42 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 1y7d n TYR 42 Cb 0.08 -0.17 0.02 0.00 -0.31 0.00 0.00 39.34 38.96 1y7d n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y7d n PHE 43 N -1.17 2.38 0.27 -0.72 3.01 -0.25 -4.85 117.46 116.13 1y7d n PHE 43 Ca 0.08 -2.73 0.11 0.00 1.01 0.00 0.00 57.45 55.92 1y7d n PHE 43 Cb 0.34 -0.23 0.73 0.00 -0.01 0.00 0.00 39.48 40.31 1y7d n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y7d h PRO 44 N 2.62 0.00 -0.01 -1.08 0.13 -1.75 -1.69 132.00 130.23 1y7d h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1y7d h PRO 44 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1y7d h PRO 44 CO 0.65 0.03 -0.09 -2.39 -0.23 0.00 0.00 178.00 175.97 1y7d n HIS 45 N -4.18 0.00 -3.87 1.56 1.44 -1.26 -4.91 115.22 104.01 1y7d n HIS 45 Ca -0.03 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.41 1y7d n HIS 45 Cb 0.12 -0.09 -0.03 0.00 0.12 0.00 0.00 29.99 30.11 1y7d n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y7d s PHE 46 N -2.28 3.49 -0.40 -1.40 0.40 -0.64 -5.05 117.98 112.10 1y7d s PHE 46 Ca 0.33 0.19 -0.23 0.00 -0.60 0.00 0.00 56.93 56.63 1y7d s PHE 46 Cb 0.20 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 42.02 1y7d s PHE 46 CO 0.43 0.48 0.75 0.34 0.70 0.00 0.00 175.22 177.92 1y7d s ASP 47 N -3.16 6.47 -0.06 1.36 2.15 -1.26 -4.91 116.67 117.26 1y7d s ASP 47 Ca 0.36 0.12 0.17 0.00 0.43 0.00 0.00 52.55 53.63 1y7d s ASP 47 Cb -0.11 -2.38 0.59 0.00 -0.30 0.00 0.00 42.92 40.72 1y7d s ASP 47 CO 0.29 -0.78 1.48 0.18 -0.17 0.00 0.00 175.17 176.17 1y7d n LEU 48 N 6.45 3.81 -4.75 -1.34 4.77 -1.26 -4.52 117.00 120.17 1y7d n LEU 48 Ca 0.02 -1.91 -0.32 0.00 -0.03 0.00 0.00 56.01 53.76 1y7d n LEU 48 Cb 0.48 -0.49 0.09 0.00 -2.33 0.00 0.00 43.42 41.17 1y7d n LEU 48 CO 0.55 0.76 0.73 -0.94 -1.33 0.00 0.00 177.39 177.15 1y7d s SER 49 N -0.90 4.45 -0.01 -1.43 1.04 -1.26 -4.89 113.70 110.70 1y7d s SER 49 Ca 0.43 2.02 -0.32 0.00 0.48 0.00 0.00 55.95 58.57 1y7d s SER 49 Cb 0.25 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.72 1y7d s SER 49 CO 0.24 -2.07 1.94 1.57 0.98 0.00 0.00 173.24 175.90 1y7d n HIS 50 N -3.09 2.44 -0.69 5.02 -0.00 -1.26 -1.05 115.22 116.60 1y7d n HIS 50 Ca 0.11 -0.23 0.00 0.00 0.46 0.00 0.00 57.72 58.05 1y7d n HIS 50 Cb 0.52 -2.75 0.00 0.00 -0.12 0.00 0.00 29.99 27.64 1y7d n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y7d n GLY 51 N 4.50 0.58 3.74 1.57 0.00 -1.26 -5.02 105.19 109.30 1y7d n GLY 51 Ca 0.21 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1y7d n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y7d s SER 52 N -2.60 6.74 0.35 1.61 0.15 -0.22 -4.88 113.70 114.85 1y7d s SER 52 Ca 0.00 2.56 0.11 0.00 0.70 0.00 0.00 55.95 59.32 1y7d s SER 52 Cb 0.00 -2.62 0.63 0.00 -1.71 0.00 0.00 66.02 62.33 1y7d s SER 52 CO 0.00 -0.64 1.78 0.00 1.20 0.00 0.00 173.24 175.58 1y7d h ALA 53 N 5.26 1.30 -0.60 5.45 0.00 -1.89 -1.37 119.26 127.40 1y7d h ALA 53 Ca -0.45 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1y7d h ALA 53 Cb 1.22 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1y7d h ALA 53 CO 0.78 0.52 0.26 0.37 0.00 0.00 0.00 179.25 181.18 1y7d h GLN 54 N 0.05 0.88 -0.21 0.00 4.15 -1.90 0.69 115.11 118.78 1y7d h GLN 54 Ca 0.00 -0.15 -0.18 0.00 0.77 0.00 0.00 58.65 59.10 1y7d h GLN 54 Cb 0.72 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1y7d h GLN 54 CO 0.05 0.73 -0.57 0.28 -1.93 0.00 0.00 178.83 177.40 1y7d h VAL 55 N 0.83 1.30 -0.19 2.39 2.07 -1.71 -0.21 116.25 120.72 1y7d h VAL 55 Ca 0.20 -1.78 0.03 0.00 0.82 0.00 0.00 66.70 65.98 1y7d h VAL 55 Cb 0.16 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1y7d h VAL 55 CO -0.02 0.56 -0.01 0.11 0.02 0.00 0.00 177.57 178.23 1y7d h LYS 56 N 0.48 0.04 -0.55 1.57 1.79 -0.85 0.26 116.57 119.30 1y7d h LYS 56 Ca -0.01 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1y7d h LYS 56 Cb 1.19 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.80 1y7d h LYS 56 CO 0.12 0.03 0.37 0.78 -1.08 0.00 0.00 179.45 179.67 1y7d h GLY 57 N 0.04 0.78 1.01 3.86 0.00 0.46 -2.69 103.07 106.54 1y7d h GLY 57 Ca 0.09 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 1y7d h GLY 57 CO -0.17 0.28 -0.45 0.84 0.00 0.00 0.00 176.54 177.04 1y7d h HIS 58 N 0.75 0.89 -0.86 5.60 -0.00 -0.61 -2.77 115.15 118.15 1y7d h HIS 58 Ca 0.20 -0.32 0.05 0.00 -0.00 0.00 0.00 60.37 60.30 1y7d h HIS 58 Cb -0.08 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.11 1y7d h HIS 58 CO -0.04 1.11 0.56 0.78 -0.00 0.00 0.00 177.93 180.34 1y7d h GLY 59 N 0.42 1.22 0.89 5.26 0.00 -0.43 -0.86 103.07 109.58 1y7d h GLY 59 Ca 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1y7d h GLY 59 CO 0.10 0.31 0.06 1.70 0.00 0.00 0.00 176.54 178.71 1y7d h LYS 60 N 0.99 0.51 -0.56 4.80 3.64 -1.45 -0.89 116.57 123.61 1y7d h LYS 60 Ca 0.36 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1y7d h LYS 60 Cb 0.15 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1y7d h LYS 60 CO -0.12 0.59 0.36 0.87 -2.27 0.00 0.00 179.45 178.88 1y7d h LYS 61 N 0.34 0.70 -0.44 1.90 1.57 -1.07 0.82 116.57 120.39 1y7d h LYS 61 Ca 0.10 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1y7d h LYS 61 Cb 0.33 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1y7d h LYS 61 CO 0.00 0.46 0.10 0.28 -0.57 0.00 0.00 179.45 179.73 1y7d h VAL 62 N 0.72 1.24 -0.64 0.50 2.07 -1.02 -2.62 116.25 116.49 1y7d h VAL 62 Ca 0.22 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1y7d h VAL 62 Cb -0.04 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1y7d h VAL 62 CO -0.07 0.29 0.27 0.00 0.02 0.00 0.00 177.57 178.09 1y7d h ALA 63 N 0.96 0.83 -0.82 1.67 0.00 -0.83 -1.67 119.26 119.40 1y7d h ALA 63 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1y7d h ALA 63 Cb 0.34 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1y7d h ALA 63 CO 0.00 0.43 0.52 -0.44 0.00 0.00 0.00 179.25 179.76 1y7d h ASP 64 N 0.89 0.85 -0.12 0.00 3.32 -0.69 0.20 116.42 120.88 1y7d h ASP 64 Ca 0.22 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1y7d h ASP 64 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1y7d h ASP 64 CO -0.02 0.58 -0.24 0.00 -1.72 0.00 0.00 179.24 177.84 1y7d h ALA 65 N 1.36 1.05 -0.21 3.45 0.00 -1.15 0.60 119.26 124.35 1y7d h ALA 65 Ca 0.34 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1y7d h ALA 65 Cb 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1y7d h ALA 65 CO -0.13 0.58 -0.68 -0.07 0.00 0.00 0.00 179.25 178.94 1y7d h LEU 66 N 0.49 0.97 -1.23 0.00 3.38 -0.35 -0.56 115.31 118.01 1y7d h LEU 66 Ca 0.07 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.47 1y7d h LEU 66 Cb 0.68 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1y7d h LEU 66 CO 0.05 1.39 0.52 0.74 0.09 0.00 0.00 178.44 181.23 1y7d h THR 67 N 0.60 1.19 -0.22 0.22 2.02 -0.35 -1.53 112.91 114.85 1y7d h THR 67 Ca -0.02 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.66 1y7d h THR 67 Cb 1.30 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1y7d h THR 67 CO 0.15 0.19 -0.42 -1.13 0.37 0.00 0.00 175.52 174.68 1y7d h ASN 68 N 1.06 0.55 -0.07 4.18 -1.24 -0.65 -1.92 115.58 117.49 1y7d h ASN 68 Ca 0.29 -0.25 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 1y7d h ASN 68 Cb -0.10 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 1y7d h ASN 68 CO -0.07 0.90 -0.31 0.00 -1.29 0.00 0.00 177.43 176.67 1y7d h ALA 69 N 1.12 0.98 -0.28 1.57 0.00 -0.24 -2.16 119.26 120.25 1y7d h ALA 69 Ca 0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1y7d h ALA 69 Cb 0.91 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1y7d h ALA 69 CO 0.08 0.60 0.02 0.28 0.00 0.00 0.00 179.25 180.23 1y7d h VAL 70 N 0.46 1.25 -0.18 0.00 2.07 -1.14 -1.62 116.25 117.09 1y7d h VAL 70 Ca 0.06 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1y7d h VAL 70 Cb 0.77 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1y7d h VAL 70 CO 0.06 0.28 0.15 0.00 0.02 0.00 0.00 177.57 178.09 1y7d h ALA 71 N 0.84 1.97 -0.61 1.67 0.00 -1.22 -2.76 119.26 119.16 1y7d h ALA 71 Ca 0.08 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.55 1y7d h ALA 71 Cb 0.40 0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.81 1y7d h ALA 71 CO 0.01 -0.25 -0.86 0.72 0.00 0.00 0.00 179.25 178.88 1y7d n HIS 72 N -4.14 2.19 -0.21 0.00 8.25 -0.83 -4.87 115.22 115.61 1y7d n HIS 72 Ca 0.01 -2.11 0.29 0.00 -0.26 0.00 0.00 57.72 55.65 1y7d n HIS 72 Cb 0.28 -0.31 0.71 0.00 1.12 0.00 0.00 29.99 31.80 1y7d n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y7d h VAL 73 N 2.84 0.53 -0.01 1.59 3.04 -0.99 0.39 116.25 123.64 1y7d h VAL 73 Ca 0.23 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 1y7d h VAL 73 Cb 1.45 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1y7d h VAL 73 CO 0.57 0.01 -0.05 0.47 -1.01 0.00 0.00 177.57 177.56 1y7d n ASP 74 N -4.28 1.26 -2.69 3.17 8.00 -1.26 -4.29 116.55 116.46 1y7d n ASP 74 Ca 0.20 -1.31 -0.07 0.00 0.71 0.00 0.00 54.79 54.32 1y7d n ASP 74 Cb 0.99 0.02 0.07 0.00 -0.02 0.00 0.00 41.12 42.18 1y7d n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y7d n ASP 75 N -0.11 0.21 -0.30 -2.24 2.03 0.13 -4.98 116.55 111.30 1y7d n ASP 75 Ca 0.18 -2.53 -0.04 0.00 0.52 0.00 0.00 54.79 52.92 1y7d n ASP 75 Cb 0.33 0.04 0.08 0.00 -0.72 0.00 0.00 41.12 40.85 1y7d n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y7d h MET 76 N 2.52 1.07 -0.95 -0.67 2.86 -1.66 -0.35 114.93 117.74 1y7d h MET 76 Ca -0.18 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1y7d h MET 76 Cb 1.23 -0.24 -0.07 0.00 0.06 0.00 0.00 31.60 32.58 1y7d h MET 76 CO 0.24 0.71 0.61 -1.35 1.06 0.00 0.00 176.91 178.18 1y7d h PRO 77 N 1.10 0.95 0.15 -0.22 0.11 -1.93 0.58 132.00 132.74 1y7d h PRO 77 Ca 0.30 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 66.12 1y7d h PRO 77 Cb -0.13 -0.21 0.02 0.00 0.11 0.00 0.00 31.00 30.79 1y7d h PRO 77 CO -0.07 0.63 -1.08 -0.91 -0.21 0.00 0.00 178.00 176.37 1y7d h ASN 78 N 0.98 0.49 0.22 -2.05 2.35 -1.90 -2.28 115.58 113.39 1y7d h ASN 78 Ca 0.45 -0.92 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1y7d h ASN 78 Cb 0.39 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1y7d h ASN 78 CO -0.20 1.50 -0.06 0.00 -1.65 0.00 0.00 177.43 177.02 1y7d h ALA 79 N 0.05 1.31 -0.15 -0.83 0.00 -0.76 -2.80 119.26 116.08 1y7d h ALA 79 Ca -0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1y7d h ALA 79 Cb 1.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1y7d h ALA 79 CO 0.14 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1y7d n LEU 80 N -3.60 2.59 -0.32 0.00 4.77 0.17 -4.75 117.00 115.87 1y7d n LEU 80 Ca -0.02 -1.28 -0.05 0.00 -0.03 0.00 0.00 56.01 54.63 1y7d n LEU 80 Cb 0.16 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1y7d n LEU 80 CO 0.27 0.53 0.43 -1.20 -1.33 0.00 0.00 177.39 176.09 1y7d n SER 81 N 0.90 -0.67 -0.30 -1.43 7.64 -0.86 -1.40 113.62 117.49 1y7d n SER 81 Ca 0.11 1.40 -0.04 0.00 1.01 0.00 0.00 58.87 61.35 1y7d n SER 81 Cb 0.42 -0.25 0.07 0.00 -1.01 0.00 0.00 64.21 63.44 1y7d n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y7d h ALA 82 N 0.76 1.06 -0.06 -0.43 0.00 -1.85 -1.80 119.26 116.93 1y7d h ALA 82 Ca 0.20 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1y7d h ALA 82 Cb 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1y7d h ALA 82 CO -0.77 0.54 -0.62 1.25 0.00 0.00 0.00 179.25 179.65 1y7d h LEU 83 N 1.14 0.25 -0.69 0.00 5.85 -1.71 -2.17 115.31 117.99 1y7d h LEU 83 Ca 0.29 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1y7d h LEU 83 Cb -0.01 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1y7d h LEU 83 CO -0.05 0.81 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.46 1y7d h SER 84 N 0.16 0.89 -0.11 1.25 0.87 -0.60 -2.02 113.55 113.99 1y7d h SER 84 Ca -0.01 -0.28 -0.11 0.00 -1.23 0.00 0.00 61.79 60.16 1y7d h SER 84 Cb 1.13 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1y7d h SER 84 CO 0.10 1.02 -0.36 0.44 -0.53 0.00 0.00 176.83 177.49 1y7d h ASP 85 N 0.80 0.51 -0.17 6.23 3.32 -1.30 -2.40 116.42 123.42 1y7d h ASP 85 Ca 0.13 -0.61 0.03 0.00 0.02 0.00 0.00 57.03 56.60 1y7d h ASP 85 Cb 0.64 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1y7d h ASP 85 CO 0.04 1.03 -0.04 0.25 -1.72 0.00 0.00 179.24 178.80 1y7d h LEU 86 N 0.02 -0.16 -0.31 1.55 5.85 -1.34 0.11 115.31 121.03 1y7d h LEU 86 Ca -0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1y7d h LEU 86 Cb 0.99 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1y7d h LEU 86 CO 0.08 -0.06 0.08 0.45 -0.34 0.00 0.00 178.44 178.65 1y7d h HIS 87 N -0.00 0.51 -0.44 1.25 3.86 -1.42 0.33 115.15 119.25 1y7d h HIS 87 Ca 0.08 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1y7d h HIS 87 Cb 0.12 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1y7d h HIS 87 CO -0.20 0.54 -0.06 0.00 0.86 0.00 0.00 177.93 179.08 1y7d h ALA 88 N 0.91 0.59 0.00 2.45 0.00 -1.26 0.44 119.26 122.40 1y7d h ALA 88 Ca 0.10 -0.30 -0.37 0.00 0.00 0.00 0.00 54.91 54.34 1y7d h ALA 88 Cb 0.28 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1y7d h ALA 88 CO 0.00 0.44 -2.39 0.72 0.00 0.00 0.00 179.25 178.02 1y7d n HIS 89 N -4.34 0.00 -0.02 0.00 8.25 0.36 -4.52 115.22 114.95 1y7d n HIS 89 Ca -0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 1y7d n HIS 89 Cb 0.34 -0.99 -0.01 0.00 1.12 0.00 0.00 29.99 30.45 1y7d n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y7d n LYS 90 N -2.79 0.21 -0.01 -0.41 4.81 0.01 -4.82 118.16 115.16 1y7d n LYS 90 Ca -0.34 0.08 -0.11 0.00 -0.87 0.00 0.00 58.31 57.07 1y7d n LYS 90 Cb 1.14 -0.80 -0.06 0.00 0.02 0.00 0.00 35.03 35.33 1y7d n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y7d h LEU 91 N -0.39 0.12 -1.70 3.14 3.38 -1.41 -3.47 115.31 114.98 1y7d h LEU 91 Ca 0.00 -0.11 -0.46 0.00 0.09 0.00 0.00 57.88 57.40 1y7d h LEU 91 Cb 0.39 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1y7d h LEU 91 CO 0.00 0.20 -0.84 0.54 0.09 0.00 0.00 178.44 178.43 1y7d n ARG 92 N -4.96 -4.33 -2.18 1.13 1.74 0.16 -4.93 116.66 103.29 1y7d n ARG 92 Ca -0.06 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 1y7d n ARG 92 Cb 0.08 -4.98 -0.03 0.00 -1.02 0.00 0.00 32.46 26.52 1y7d n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y7d s VAL 93 N -3.72 3.47 0.34 1.55 1.01 -1.25 -4.96 120.40 116.84 1y7d s VAL 93 Ca 0.11 0.98 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 1y7d s VAL 93 Cb -0.06 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 1y7d s VAL 93 CO 0.85 0.04 1.54 -0.67 0.00 0.00 0.00 175.10 176.85 1y7d n ASP 94 N 4.65 3.83 -0.27 3.32 2.03 -1.26 -4.86 116.55 123.99 1y7d n ASP 94 Ca 0.12 1.19 0.22 0.00 0.52 0.00 0.00 54.79 56.85 1y7d n ASP 94 Cb 0.43 -1.61 0.54 0.00 -0.72 0.00 0.00 41.12 39.76 1y7d n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1y7d h PRO 95 N 3.78 0.34 0.00 -0.67 0.11 -2.00 -2.06 132.00 131.50 1y7d h PRO 95 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1y7d h PRO 95 Cb 1.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1y7d h PRO 95 CO 0.71 0.22 -0.03 -0.39 -0.21 0.00 0.00 178.00 178.30 1y7d h VAL 96 N 0.35 0.47 0.00 3.15 -1.51 -2.03 -2.30 116.25 114.37 1y7d h VAL 96 Ca 0.51 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.81 1y7d h VAL 96 Cb 1.39 1.11 -0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1y7d h VAL 96 CO -0.19 0.03 -0.05 0.78 -1.23 0.00 0.00 177.57 176.91 1y7d h ASN 97 N 0.00 0.00 -0.35 4.19 4.21 -1.73 -3.01 115.58 118.89 1y7d h ASN 97 Ca -0.00 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.41 1y7d h ASN 97 Cb 0.10 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 1y7d h ASN 97 CO 0.00 0.05 -0.12 -0.26 -1.29 0.00 0.00 177.43 175.82 1y7d h PHE 98 N 0.00 0.87 -0.35 1.19 0.04 -1.61 -2.67 116.94 114.42 1y7d h PHE 98 Ca -0.00 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 1y7d h PHE 98 Cb 0.49 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1y7d h PHE 98 CO 0.00 0.87 -0.15 1.57 -0.60 0.00 0.00 178.31 180.00 1y7d h LYS 99 N 0.72 0.62 -0.31 1.51 2.10 -1.69 -0.71 116.57 118.79 1y7d h LYS 99 Ca 0.12 -0.20 -0.10 0.00 -2.00 0.00 0.00 60.65 58.46 1y7d h LYS 99 Cb 0.61 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1y7d h LYS 99 CO 0.04 0.75 -0.21 -0.07 -2.00 0.00 0.00 179.45 177.96 1y7d h LEU 100 N 0.56 0.73 -0.14 7.07 3.38 -1.56 -1.20 115.31 124.15 1y7d h LEU 100 Ca 0.10 -0.43 -0.17 0.00 0.09 0.00 0.00 57.88 57.47 1y7d h LEU 100 Cb 0.58 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1y7d h LEU 100 CO 0.04 1.00 -0.56 0.25 0.09 0.00 0.00 178.44 179.26 1y7d h LEU 101 N 0.45 0.73 -0.35 1.67 5.85 -1.37 -2.31 115.31 119.98 1y7d h LEU 101 Ca 0.06 -0.62 0.07 0.00 0.84 0.00 0.00 57.88 58.24 1y7d h LEU 101 Cb 0.76 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 1y7d h LEU 101 CO 0.06 1.23 -0.15 0.28 -0.34 0.00 0.00 178.44 179.52 1y7d h SER 102 N 0.28 -0.51 -0.49 1.25 0.02 -1.06 0.65 113.55 113.69 1y7d h SER 102 Ca -0.03 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1y7d h SER 102 Cb 1.20 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.97 1y7d h SER 102 CO 0.12 -0.18 0.18 -0.74 -1.14 0.00 0.00 176.83 175.06 1y7d h HIS 103 N -0.09 0.32 0.00 3.45 -0.00 -1.18 -1.65 115.15 116.00 1y7d h HIS 103 Ca 0.18 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.53 1y7d h HIS 103 Cb 0.35 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1y7d h HIS 103 CO -0.37 0.11 -0.19 0.00 -0.00 0.00 0.00 177.93 177.48 1y7d h LEU 105 N 0.00 0.92 -0.64 0.00 5.85 -0.29 -1.96 115.31 119.19 1y7d h LEU 105 Ca -0.00 -0.67 -0.05 0.00 0.84 0.00 0.00 57.88 58.00 1y7d h LEU 105 Cb 0.61 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1y7d h LEU 105 CO 0.03 1.46 0.22 -0.07 -0.34 0.00 0.00 178.44 179.73 1y7d h LEU 106 N 0.46 0.92 -0.45 2.25 3.38 -1.08 -1.03 115.31 119.77 1y7d h LEU 106 Ca -0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1y7d h LEU 106 Cb 1.51 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1y7d h LEU 106 CO 0.18 0.87 0.13 0.58 0.09 0.00 0.00 178.44 180.28 1y7d h VAL 107 N 0.92 1.23 -0.22 1.22 2.07 -1.38 -0.97 116.25 119.11 1y7d h VAL 107 Ca 0.21 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1y7d h VAL 107 Cb 0.26 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1y7d h VAL 107 CO -0.01 0.27 0.12 0.74 0.02 0.00 0.00 177.57 178.71 1y7d h THR 108 N 0.58 1.01 -0.48 2.57 2.02 -1.07 -1.31 112.91 116.24 1y7d h THR 108 Ca 0.14 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 1y7d h THR 108 Cb 0.29 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1y7d h THR 108 CO -0.00 0.05 0.04 -0.07 0.37 0.00 0.00 175.52 175.91 1y7d h LEU 109 N 0.25 0.79 -0.97 2.58 3.38 -1.13 -2.67 115.31 117.54 1y7d h LEU 109 Ca 0.09 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1y7d h LEU 109 Cb 0.01 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1y7d h LEU 109 CO -0.05 0.88 0.63 0.00 0.09 0.00 0.00 178.44 179.99 1y7d h ALA 110 N 0.94 1.31 0.00 1.53 0.00 -0.99 0.16 119.26 122.21 1y7d h ALA 110 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y7d h ALA 110 Cb 0.45 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1y7d h ALA 110 CO 0.02 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1y7d h ALA 111 N 1.41 1.00 0.00 0.00 0.00 -0.96 -3.35 119.26 117.36 1y7d h ALA 111 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 1y7d h ALA 111 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1y7d h ALA 111 CO -0.14 0.00 -1.45 0.72 0.00 0.00 0.00 179.25 178.38 1y7d n HIS 112 N -2.85 0.00 -3.12 0.00 -0.00 -0.77 -4.82 115.22 103.66 1y7d n HIS 112 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.49 1y7d n HIS 112 Cb 0.35 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.99 30.02 1y7d n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y7d n LEU 113 N -1.98 3.26 -0.29 2.41 4.77 -0.03 -4.95 117.00 120.20 1y7d n LEU 113 Ca -0.06 -5.42 -0.02 0.00 -0.03 0.00 0.00 56.01 50.49 1y7d n LEU 113 Cb 0.42 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1y7d n LEU 113 CO 0.18 2.25 1.19 1.55 -1.33 0.00 0.00 177.39 181.22 1y7d h PRO 114 N 3.36 0.96 -0.04 3.23 0.13 -1.80 0.41 132.00 138.25 1y7d h PRO 114 Ca 0.14 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 1y7d h PRO 114 Cb 0.66 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1y7d h PRO 114 CO 0.73 0.63 -0.56 0.00 -0.23 0.00 0.00 178.00 178.58 1y7d h ALA 115 N 1.35 1.00 0.00 -0.56 0.00 -1.93 -3.25 119.26 115.87 1y7d h ALA 115 Ca 0.33 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1y7d h ALA 115 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1y7d h ALA 115 CO -0.13 0.70 -1.49 0.39 0.00 0.00 0.00 179.25 178.72 1y7d n GLU 116 N -3.89 0.63 -1.02 0.00 -0.58 -0.73 -4.59 120.64 110.46 1y7d n GLU 116 Ca -0.02 0.17 -0.32 0.00 -0.42 0.00 0.00 57.16 56.58 1y7d n GLU 116 Cb 0.57 -1.77 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 1y7d n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1y7d n PHE 117 N -2.83 1.85 -2.16 -0.32 7.35 0.14 -4.75 117.46 116.74 1y7d n PHE 117 Ca -0.10 -2.19 -0.28 0.00 -0.76 0.00 0.00 57.45 54.12 1y7d n PHE 117 Cb 0.83 -1.88 0.03 0.00 0.35 0.00 0.00 39.48 38.81 1y7d n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y7d s THR 118 N 3.61 3.72 0.22 -2.13 -4.23 -1.26 -4.81 115.64 110.76 1y7d s THR 118 Ca 0.49 0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1y7d s THR 118 Cb 0.13 -3.51 0.17 0.00 1.34 0.00 0.00 72.50 70.63 1y7d s THR 118 CO -0.00 -0.60 1.73 -0.65 -0.54 0.00 0.00 174.62 174.55 1y7d h PRO 119 N -0.36 0.38 -0.51 3.99 0.11 -1.99 0.58 132.00 134.19 1y7d h PRO 119 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1y7d h PRO 119 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1y7d h PRO 119 CO 0.62 0.25 0.15 0.00 -0.21 0.00 0.00 178.00 178.81 1y7d h ALA 120 N 1.48 0.67 -0.31 -0.75 0.00 -1.95 -1.90 119.26 116.49 1y7d h ALA 120 Ca 0.35 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1y7d h ALA 120 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1y7d h ALA 120 CO -0.36 0.34 -0.12 0.28 0.00 0.00 0.00 179.25 179.39 1y7d h VAL 121 N 0.70 1.29 -0.17 0.00 2.07 -1.74 -2.64 116.25 115.75 1y7d h VAL 121 Ca 0.16 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.54 1y7d h VAL 121 Cb 0.30 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1y7d h VAL 121 CO -0.00 0.38 -0.12 -0.74 0.02 0.00 0.00 177.57 177.11 1y7d h HIS 122 N 0.38 -0.30 -0.77 1.57 6.17 -0.79 -1.06 115.15 120.34 1y7d h HIS 122 Ca 0.07 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.21 1y7d h HIS 122 Cb 0.63 0.16 -0.05 0.00 2.52 0.00 0.00 27.41 30.67 1y7d h HIS 122 CO 0.06 -0.19 0.48 0.00 0.71 0.00 0.00 177.93 178.99 1y7d h ALA 123 N 0.99 1.02 -0.30 5.26 0.00 -1.30 -1.33 119.26 123.60 1y7d h ALA 123 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1y7d h ALA 123 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1y7d h ALA 123 CO -0.25 0.26 -0.21 0.77 0.00 0.00 0.00 179.25 179.82 1y7d h SER 124 N 0.92 0.71 -0.16 0.00 0.02 -1.18 -2.04 113.55 111.83 1y7d h SER 124 Ca 0.32 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 1y7d h SER 124 Cb 0.06 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1y7d h SER 124 CO -0.13 1.00 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.33 1y7d h LEU 125 N 0.43 0.54 -0.13 5.07 3.38 -1.10 -0.98 115.31 122.53 1y7d h LEU 125 Ca 0.06 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1y7d h LEU 125 Cb 0.76 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1y7d h LEU 125 CO 0.06 0.73 -0.41 -0.78 0.09 0.00 0.00 178.44 178.12 1y7d h ASP 126 N 0.50 0.58 -0.56 -0.43 3.58 -1.17 -1.45 116.42 117.47 1y7d h ASP 126 Ca 0.09 -0.61 -0.03 0.00 0.42 0.00 0.00 57.03 56.90 1y7d h ASP 126 Cb 0.57 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 1y7d h ASP 126 CO 0.04 1.09 0.23 0.11 -2.88 0.00 0.00 179.24 177.83 1y7d h LYS 127 N 0.11 0.84 0.38 0.28 1.57 -1.21 -1.92 116.57 116.62 1y7d h LYS 127 Ca -0.02 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1y7d h LYS 127 Cb 1.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1y7d h LYS 127 CO 0.09 0.72 -0.25 0.35 -0.57 0.00 0.00 179.45 179.79 1y7d h PHE 128 N 0.77 -0.64 -0.19 -1.35 3.57 -1.16 -1.60 116.94 116.34 1y7d h PHE 128 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1y7d h PHE 128 Cb 0.19 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1y7d h PHE 128 CO 0.01 -0.38 0.05 -0.07 -2.23 0.00 0.00 178.31 175.69 1y7d h LEU 129 N -0.61 0.24 -0.61 0.59 3.38 -1.19 -1.43 115.31 115.68 1y7d h LEU 129 Ca -0.04 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1y7d h LEU 129 Cb 0.51 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1y7d h LEU 129 CO 0.03 0.25 -0.12 0.00 0.09 0.00 0.00 178.44 178.69 1y7d h ALA 130 N 1.79 0.81 -0.27 1.53 0.00 -1.13 -1.24 119.26 120.75 1y7d h ALA 130 Ca 0.07 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1y7d h ALA 130 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1y7d h ALA 130 CO -0.00 0.66 -0.01 0.77 0.00 0.00 0.00 179.25 180.67 1y7d h SER 131 N 0.87 0.47 -0.29 0.00 0.02 -0.42 -1.74 113.55 112.45 1y7d h SER 131 Ca 0.13 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1y7d h SER 131 Cb 0.67 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1y7d h SER 131 CO 0.05 0.67 0.18 0.58 -1.14 0.00 0.00 176.83 177.18 1y7d h VAL 132 N 0.26 1.06 -0.71 2.27 2.07 -1.24 -2.16 116.25 117.80 1y7d h VAL 132 Ca 0.08 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1y7d h VAL 132 Cb 0.44 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1y7d h VAL 132 CO 0.02 0.07 0.43 0.28 0.02 0.00 0.00 177.57 178.38 1y7d h SER 133 N 0.38 0.86 -0.38 0.57 0.02 -1.18 -1.61 113.55 112.20 1y7d h SER 133 Ca 0.11 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1y7d h SER 133 Cb -0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1y7d h SER 133 CO -0.03 0.68 0.24 0.74 -1.14 0.00 0.00 176.83 177.32 1y7d h THR 134 N 0.98 1.11 0.33 -2.27 2.02 -1.12 -2.72 112.91 111.24 1y7d h THR 134 Ca 0.26 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1y7d h THR 134 Cb -0.02 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1y7d h THR 134 CO -0.05 0.11 -0.16 0.58 0.37 0.00 0.00 175.52 176.37 1y7d h VAL 135 N 0.51 0.68 0.00 3.16 2.07 -1.14 -1.99 116.25 119.55 1y7d h VAL 135 Ca 0.14 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1y7d h VAL 135 Cb -0.03 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1y7d h VAL 135 CO -0.03 0.01 0.03 -0.07 0.02 0.00 0.00 177.57 177.53 1y7d h LEU 136 N -0.47 0.00 -1.35 2.57 3.38 -1.21 -1.98 115.31 116.25 1y7d h LEU 136 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1y7d h LEU 136 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1y7d h LEU 136 CO 0.07 0.00 0.00 0.41 0.09 0.00 0.00 178.44 179.01 1y7d n THR 137 N -2.42 0.12 0.23 0.22 -1.04 -1.03 -4.51 114.28 105.84 1y7d n THR 137 Ca -0.02 -0.56 0.08 0.00 -2.04 0.00 0.00 64.05 61.52 1y7d n THR 137 Cb 0.07 1.00 0.57 0.00 -1.82 0.00 0.00 70.33 70.16 1y7d n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y7d h SER 138 N 0.64 0.00 -0.43 8.00 4.64 -0.58 -3.08 113.55 122.73 1y7d h SER 138 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1y7d h SER 138 Cb 0.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 1y7d h SER 138 CO 0.00 0.20 0.06 0.29 -0.87 0.00 0.00 176.83 176.51 1y7d n LYS 139 N -3.88 3.11 -0.12 4.77 5.02 -1.26 -4.65 118.16 121.14 1y7d n LYS 139 Ca -0.02 -3.00 -0.04 0.00 -2.02 0.00 0.00 58.31 53.23 1y7d n LYS 139 Cb 0.29 -1.98 0.17 0.00 -0.02 0.00 0.00 35.03 33.49 1y7d n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y7d h TYR 140 N 2.07 0.86 0.00 2.13 0.99 -1.87 -3.46 116.97 117.68 1y7d h TYR 140 Ca 0.11 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1y7d h TYR 140 Cb 1.78 -0.24 0.00 0.00 1.00 0.00 0.00 36.73 39.26 1y7d h TYR 140 CO 0.86 0.75 0.00 2.89 -0.00 0.00 0.00 178.16 182.66