#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrs s HIS 3 N 0.00 1.82 -0.26 3.52 3.76 -1.26 -4.89 115.29 117.98 2yrs s HIS 3 Ca 0.00 0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 55.60 2yrs s HIS 3 Cb 0.00 -3.93 0.01 0.00 1.11 0.00 0.00 32.58 29.77 2yrs s HIS 3 CO 0.00 -1.28 -0.00 -0.51 -0.85 0.00 0.00 174.74 172.09 2yrs s LEU 4 N 11.51 3.36 0.99 0.89 1.43 -1.26 -5.08 118.68 130.52 2yrs s LEU 4 Ca 0.71 -0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 2yrs s LEU 4 Cb -0.03 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.50 2yrs s LEU 4 CO 0.10 -0.12 0.44 0.35 0.23 0.00 0.00 176.35 177.35 2yrs n THR 5 N 4.77 0.00 1.39 5.49 -2.24 -1.26 -4.63 114.28 117.80 2yrs n THR 5 Ca -0.16 -0.20 0.10 0.00 -2.27 0.00 0.00 64.05 61.52 2yrs n THR 5 Cb 0.48 -0.67 0.42 0.00 -2.10 0.00 0.00 70.33 68.46 2yrs n THR 5 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2yrs n PRO 6 N -2.18 1.59 -0.01 -0.78 -0.05 -1.26 -0.30 135.00 132.00 2yrs n PRO 6 Ca 0.06 -0.88 -0.16 0.00 -0.05 0.00 0.00 63.50 62.47 2yrs n PRO 6 Cb 0.55 -1.38 -0.12 0.00 -0.05 0.00 0.00 33.50 32.50 2yrs n PRO 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 2yrs h GLU 7 N 1.79 0.20 -0.06 0.54 3.07 -1.98 -2.53 114.58 115.61 2yrs h GLU 7 Ca 0.00 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 2yrs h GLU 7 Cb 0.39 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2yrs h GLU 7 CO 0.00 1.04 0.04 0.93 -1.40 0.00 0.00 179.01 179.62 2yrs h GLU 8 N -0.52 0.08 -0.03 2.33 5.08 -1.85 -2.27 114.58 117.41 2yrs h GLU 8 Ca -0.06 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2yrs h GLU 8 Cb 1.20 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 2yrs h GLU 8 CO 0.07 0.05 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.56 2yrs h LYS 9 N 0.08 -0.47 -0.31 2.33 3.64 -0.80 -1.06 116.57 119.98 2yrs h LYS 9 Ca 0.02 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2yrs h LYS 9 Cb -0.00 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2yrs h LYS 9 CO -0.01 -0.32 0.18 1.03 -2.27 0.00 0.00 179.45 178.06 2yrs h SER 10 N -0.49 0.36 0.04 4.20 0.87 -1.44 -1.58 113.55 115.51 2yrs h SER 10 Ca 0.06 -0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 60.35 2yrs h SER 10 Cb 0.59 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2yrs h SER 10 CO -0.30 0.29 -1.03 0.00 -0.53 0.00 0.00 176.83 175.25 2yrs h ALA 11 N 1.78 0.07 -0.40 6.23 0.00 -0.73 0.12 119.26 126.33 2yrs h ALA 11 Ca 0.11 -0.70 0.06 0.00 0.00 0.00 0.00 54.91 54.38 2yrs h ALA 11 Cb -0.01 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2yrs h ALA 11 CO -0.02 0.63 0.08 0.28 0.00 0.00 0.00 179.25 180.22 2yrs h VAL 12 N 0.27 0.80 0.30 0.00 2.07 -1.04 -2.26 116.25 116.39 2yrs h VAL 12 Ca -0.14 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2yrs h VAL 12 Cb 1.70 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2yrs h VAL 12 CO 0.20 0.04 -0.15 0.74 0.02 0.00 0.00 177.57 178.42 2yrs h THR 13 N 0.21 0.73 -0.77 2.57 2.02 -1.21 -0.22 112.91 116.23 2yrs h THR 13 Ca 0.19 -0.31 0.13 0.00 0.77 0.00 0.00 66.41 67.20 2yrs h THR 13 Cb 0.23 0.90 -0.09 0.00 -1.74 0.00 0.00 68.15 67.45 2yrs h THR 13 CO -0.25 0.06 0.36 0.00 0.37 0.00 0.00 175.52 176.07 2yrs h ALA 14 N 0.07 1.11 -0.09 6.16 0.00 -0.71 -2.60 119.26 123.20 2yrs h ALA 14 Ca -0.04 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2yrs h ALA 14 Cb 0.42 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2yrs h ALA 14 CO 0.07 -0.12 -0.45 1.25 0.00 0.00 0.00 179.25 180.00 2yrs h LEU 15 N 0.55 0.55 -1.94 0.00 7.12 -1.25 -3.26 115.31 117.09 2yrs h LEU 15 Ca 0.41 -0.65 -0.01 0.00 0.13 0.00 0.00 57.88 57.77 2yrs h LEU 15 Cb 0.56 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 2yrs h LEU 15 CO -0.35 1.11 -0.02 -0.25 -0.13 0.00 0.00 178.44 178.80 2yrs h TRP 16 N 0.03 0.01 0.00 1.25 2.91 -0.66 -0.52 115.95 118.98 2yrs h TRP 16 Ca -0.03 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 2yrs h TRP 16 Cb 1.10 -0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.75 2yrs h TRP 16 CO 0.12 0.03 -0.00 0.78 -1.03 0.00 0.00 178.44 178.34 2yrs h GLY 17 N 0.09 0.00 -1.81 2.65 0.00 -1.53 -1.42 103.07 101.05 2yrs h GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2yrs h GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 2yrs n LYS 18 N -3.82 2.19 -3.38 4.80 5.02 -0.20 -4.89 118.16 117.88 2yrs n LYS 18 Ca -0.03 -1.83 -0.38 0.00 -2.02 0.00 0.00 58.31 54.05 2yrs n LYS 18 Cb 0.08 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 2yrs n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2yrs s VAL 19 N -1.42 5.21 -1.02 -0.18 1.01 -0.54 -4.98 120.40 118.49 2yrs s VAL 19 Ca 0.36 0.77 -0.23 0.00 0.00 0.00 0.00 61.98 62.88 2yrs s VAL 19 Cb 0.19 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 2yrs s VAL 19 CO 0.26 0.30 1.73 0.21 0.00 0.00 0.00 175.10 177.59 2yrs s ASN 20 N 0.80 5.83 0.35 3.32 3.84 -1.26 -4.85 114.94 122.97 2yrs s ASN 20 Ca 0.21 -1.25 0.09 0.00 0.21 0.00 0.00 52.86 52.11 2yrs s ASN 20 Cb -0.15 -2.57 0.81 0.00 -0.55 0.00 0.00 41.25 38.80 2yrs s ASN 20 CO 0.08 -2.14 1.87 0.58 -2.79 0.00 0.00 177.10 174.70 2yrs h VAL 21 N 6.81 0.84 0.19 -5.21 2.07 -1.93 -0.66 116.25 118.35 2yrs h VAL 21 Ca 0.18 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2yrs h VAL 21 Cb 0.99 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2yrs h VAL 21 CO 1.32 0.13 -0.23 0.44 0.02 0.00 0.00 177.57 179.25 2yrs h ASP 22 N 0.70 -0.63 -0.59 0.57 3.32 -1.91 -2.25 116.42 115.62 2yrs h ASP 22 Ca 0.45 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.51 2yrs h ASP 22 Cb 0.71 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 2yrs h ASP 22 CO -0.20 -0.28 0.20 -0.08 -1.72 0.00 0.00 179.24 177.15 2yrs h GLU 23 N -0.42 0.91 -0.84 3.56 4.81 -1.58 -2.83 114.58 118.20 2yrs h GLU 23 Ca -0.02 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2yrs h GLU 23 Cb 0.38 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2yrs h GLU 23 CO -0.05 0.81 0.46 0.28 -0.73 0.00 0.00 179.01 179.78 2yrs h VAL 24 N 0.84 1.24 0.30 0.32 2.07 -1.30 -2.20 116.25 117.53 2yrs h VAL 24 Ca 0.19 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2yrs h VAL 24 Cb 0.26 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2yrs h VAL 24 CO -0.01 0.27 -0.34 1.23 0.02 0.00 0.00 177.57 178.74 2yrs h GLY 25 N 1.19 -0.77 0.75 2.17 0.00 -1.15 -0.25 103.07 105.01 2yrs h GLY 25 Ca 0.30 0.40 0.05 0.00 0.00 0.00 0.00 47.33 48.07 2yrs h GLY 25 CO -0.05 -0.28 0.38 -1.33 0.00 0.00 0.00 176.54 175.26 2yrs h GLY 26 N -0.69 0.96 0.49 4.60 0.00 -1.51 -0.96 103.07 105.97 2yrs h GLY 26 Ca -0.01 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.08 2yrs h GLY 26 CO -0.09 0.19 -0.18 0.83 0.00 0.00 0.00 176.54 177.30 2yrs h GLU 27 N 0.72 -0.24 0.16 4.80 4.39 -1.13 -1.14 114.58 122.13 2yrs h GLU 27 Ca 0.29 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 2yrs h GLU 27 Cb 0.13 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2yrs h GLU 27 CO -0.15 -0.16 -0.07 0.00 -1.16 0.00 0.00 179.01 177.46 2yrs h ALA 28 N 0.73 -0.21 -0.48 3.43 0.00 -0.89 0.34 119.26 122.17 2yrs h ALA 28 Ca 0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2yrs h ALA 28 Cb 0.36 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2yrs h ALA 28 CO -0.22 -0.60 0.05 1.25 0.00 0.00 0.00 179.25 179.73 2yrs h LEU 29 N -0.24 0.79 -0.34 0.00 5.85 -1.17 0.19 115.31 120.39 2yrs h LEU 29 Ca -0.02 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 2yrs h LEU 29 Cb 0.19 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2yrs h LEU 29 CO 0.04 0.87 0.02 1.23 -0.34 0.00 0.00 178.44 180.25 2yrs h GLY 30 N 0.68 0.64 1.62 3.75 0.00 -1.05 -1.86 103.07 106.85 2yrs h GLY 30 Ca 0.14 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2yrs h GLY 30 CO 0.01 0.42 -0.16 3.21 0.00 0.00 0.00 176.54 180.03 2yrs h ARG 31 N 0.41 0.45 -0.91 4.80 3.08 -0.11 0.91 114.38 123.01 2yrs h ARG 31 Ca 0.10 -0.14 0.10 0.00 0.07 0.00 0.00 59.98 60.12 2yrs h ARG 31 Cb 0.42 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.35 2yrs h ARG 31 CO 0.01 0.60 0.55 1.25 -1.07 0.00 0.00 179.97 181.32 2yrs h LEU 32 N 0.42 0.81 0.00 3.04 5.85 -0.01 0.39 115.31 125.80 2yrs h LEU 32 Ca 0.07 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 2yrs h LEU 32 Cb 0.52 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2yrs h LEU 32 CO 0.03 0.45 -1.01 -0.07 -0.34 0.00 0.00 178.44 177.50 2yrs h LEU 33 N 0.91 0.00 0.22 2.25 4.07 -0.46 -1.38 115.31 120.92 2yrs h LEU 33 Ca 0.44 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 58.06 2yrs h LEU 33 Cb 0.40 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.17 2yrs h LEU 33 CO -0.25 0.55 -1.60 0.58 -1.08 0.00 0.00 178.44 176.64 2yrs h VAL 34 N 0.00 1.12 0.21 1.22 2.07 0.24 -3.24 116.25 117.87 2yrs h VAL 34 Ca -0.09 -2.61 -0.32 0.00 0.82 0.00 0.00 66.70 64.50 2yrs h VAL 34 Cb 1.50 2.92 0.04 0.00 -1.52 0.00 0.00 31.29 34.22 2yrs h VAL 34 CO 0.06 0.83 -1.38 0.58 0.02 0.00 0.00 177.57 177.68 2yrs h VAL 35 N 0.12 1.29 -2.60 2.57 2.07 -0.26 -3.36 116.25 116.07 2yrs h VAL 35 Ca -0.30 -2.61 -0.60 0.00 0.82 0.00 0.00 66.70 64.00 2yrs h VAL 35 Cb 2.13 2.94 -0.41 0.00 -1.52 0.00 0.00 31.29 34.43 2yrs h VAL 35 CO 0.23 0.79 -0.67 -1.22 0.02 0.00 0.00 177.57 176.71 2yrs n TYR 36 N -3.76 2.60 0.28 1.57 4.01 -0.52 -4.96 117.16 116.38 2yrs n TYR 36 Ca -0.16 -4.08 0.17 0.00 -0.16 0.00 0.00 57.90 53.67 2yrs n TYR 36 Cb 1.06 -0.48 0.86 0.00 -0.31 0.00 0.00 39.34 40.48 2yrs n TYR 36 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2yrs h PRO 37 N 4.88 0.00 0.00 -0.72 0.11 -1.72 -2.24 132.00 132.31 2yrs h PRO 37 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2yrs h PRO 37 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2yrs h PRO 37 CO 0.70 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.60 2yrs h TRP 38 N 0.00 0.00 0.00 0.65 0.09 -1.91 -1.17 115.95 113.61 2yrs h TRP 38 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.02 2yrs h TRP 38 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.86 2yrs h TRP 38 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 2yrs h THR 39 N 0.00 0.00 -0.94 0.12 1.35 -1.73 -2.61 112.91 109.11 2yrs h THR 39 Ca 0.00 -0.72 0.27 0.00 -0.55 0.00 0.00 66.41 65.41 2yrs h THR 39 Cb 0.15 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 68.23 2yrs h THR 39 CO 0.00 0.00 0.67 1.56 -0.25 0.00 0.00 175.52 177.50 2yrs h GLN 40 N 0.00 0.03 0.00 4.72 4.20 -1.42 -2.94 115.11 119.70 2yrs h GLN 40 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2yrs h GLN 40 Cb 0.77 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2yrs h GLN 40 CO 0.00 0.02 0.62 0.07 -0.67 0.00 0.00 178.83 178.87 2yrs h ARG 41 N 0.03 0.00 -0.46 1.46 0.11 -1.65 0.25 114.38 114.11 2yrs h ARG 41 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 2yrs h ARG 41 Cb 1.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.84 2yrs h ARG 41 CO -0.02 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.24 2yrs n PHE 42 N -2.66 0.60 -1.88 4.08 3.72 -1.11 -4.40 117.46 115.81 2yrs n PHE 42 Ca -0.01 -0.30 0.02 0.00 -0.05 0.00 0.00 57.45 57.11 2yrs n PHE 42 Cb 0.64 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.22 2yrs n PHE 42 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2yrs n PHE 43 N 1.48 0.00 -0.28 1.38 3.72 0.87 -4.80 117.46 119.83 2yrs n PHE 43 Ca 0.20 -0.29 0.10 0.00 -0.05 0.00 0.00 57.45 57.42 2yrs n PHE 43 Cb 0.60 -0.09 0.24 0.00 -0.94 0.00 0.00 39.48 39.29 2yrs n PHE 43 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2yrs h GLU 44 N 0.15 0.18 0.00 -1.08 5.08 -1.77 0.60 114.58 117.75 2yrs h GLU 44 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2yrs h GLU 44 Cb 1.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2yrs h GLU 44 CO 0.01 0.12 0.00 -1.13 -1.00 0.00 0.00 179.01 177.01 2yrs n SER 45 N -5.25 0.00 -0.73 1.42 3.41 -1.26 -2.25 113.62 108.96 2yrs n SER 45 Ca 0.18 -0.45 0.12 0.00 -0.26 0.00 0.00 58.87 58.47 2yrs n SER 45 Cb 0.60 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.67 2yrs n SER 45 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2yrs n PHE 46 N -0.78 0.00 -2.28 7.33 3.01 0.20 -5.06 117.46 119.88 2yrs n PHE 46 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2yrs n PHE 46 Cb 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 2yrs n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2yrs n GLY 47 N 1.36 0.41 3.65 1.37 0.00 -0.95 -4.77 105.19 106.25 2yrs n GLY 47 Ca 0.13 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 2yrs n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yrs s ASP 48 N -4.00 6.72 -0.05 1.61 2.15 -1.26 -4.84 116.67 117.00 2yrs s ASP 48 Ca 0.00 1.73 0.12 0.00 0.43 0.00 0.00 52.55 54.84 2yrs s ASP 48 Cb 0.00 -2.54 0.23 0.00 -0.30 0.00 0.00 42.92 40.32 2yrs s ASP 48 CO 0.00 -0.95 1.10 0.18 -0.17 0.00 0.00 175.17 175.33 2yrs n LEU 49 N 7.26 1.05 0.04 -1.34 4.77 -1.26 -4.21 117.00 123.31 2yrs n LEU 49 Ca 0.16 -2.03 0.13 0.00 -0.03 0.00 0.00 56.01 54.23 2yrs n LEU 49 Cb 0.45 -0.14 0.32 0.00 -2.33 0.00 0.00 43.42 41.72 2yrs n LEU 49 CO 0.60 0.55 0.59 -1.54 -1.33 0.00 0.00 177.39 176.27 2yrs n SER 50 N -0.24 0.53 -4.27 -1.43 3.41 -1.26 -4.72 113.62 105.64 2yrs n SER 50 Ca 0.07 0.18 -0.15 0.00 -0.26 0.00 0.00 58.87 58.71 2yrs n SER 50 Cb 0.82 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.56 2yrs n SER 50 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2yrs s THR 51 N -3.08 1.05 0.14 6.66 -4.23 -1.26 -5.03 115.64 109.89 2yrs s THR 51 Ca 0.10 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.31 2yrs s THR 51 Cb 0.15 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 2yrs s THR 51 CO 0.66 -0.59 1.60 -0.65 -0.54 0.00 0.00 174.62 175.10 2yrs h PRO 52 N 2.68 -0.39 -0.82 3.99 0.11 -1.97 0.20 132.00 135.80 2yrs h PRO 52 Ca -0.37 0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.77 2yrs h PRO 52 Cb 1.20 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 2yrs h PRO 52 CO 0.64 -0.26 0.54 -0.44 -0.21 0.00 0.00 178.00 178.27 2yrs h ASP 53 N -0.41 0.94 -0.31 -2.05 3.32 -1.98 0.23 116.42 116.17 2yrs h ASP 53 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2yrs h ASP 53 Cb 0.57 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2yrs h ASP 53 CO -0.38 0.69 0.20 0.00 -1.72 0.00 0.00 179.24 178.03 2yrs h ALA 54 N 1.30 0.39 -0.25 3.45 0.00 -1.81 -2.17 119.26 120.17 2yrs h ALA 54 Ca 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2yrs h ALA 54 Cb -0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2yrs h ALA 54 CO -0.06 -0.14 0.03 0.28 0.00 0.00 0.00 179.25 179.35 2yrs h VAL 55 N 0.41 1.24 -0.66 0.00 2.07 -0.06 -2.80 116.25 116.45 2yrs h VAL 55 Ca 0.11 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2yrs h VAL 55 Cb -0.05 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2yrs h VAL 55 CO -0.02 0.26 0.20 0.24 0.02 0.00 0.00 177.57 178.26 2yrs h MET 56 N 0.22 1.01 -0.19 1.57 2.07 -0.49 -2.46 114.93 116.66 2yrs h MET 56 Ca 0.07 -0.20 0.00 0.00 -2.07 0.00 0.00 59.70 57.50 2yrs h MET 56 Cb 0.35 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 29.93 2yrs h MET 56 CO 0.01 0.87 0.00 0.41 1.07 0.00 0.00 176.91 179.26 2yrs n GLY 57 N -0.83 0.42 3.63 8.32 0.00 -0.82 -4.84 105.19 111.06 2yrs n GLY 57 Ca 0.05 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2yrs n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yrs s ASN 58 N -1.53 6.54 0.36 1.61 3.84 -0.93 -4.87 114.94 119.95 2yrs s ASN 58 Ca 0.32 1.30 0.11 0.00 0.21 0.00 0.00 52.86 54.80 2yrs s ASN 58 Cb 0.18 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 39.21 2yrs s ASN 58 CO 0.26 -1.18 1.84 -0.65 -2.79 0.00 0.00 177.10 174.58 2yrs h PRO 59 N 9.93 0.61 0.00 0.43 0.11 -1.90 0.56 132.00 141.74 2yrs h PRO 59 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2yrs h PRO 59 Cb 1.12 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2yrs h PRO 59 CO 1.03 0.41 0.00 0.87 -0.21 0.00 0.00 178.00 180.09 2yrs h LYS 60 N 0.63 0.00 0.01 1.05 1.57 -1.89 -1.46 116.57 116.47 2yrs h LYS 60 Ca 0.50 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 2yrs h LYS 60 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2yrs h LYS 60 CO -0.25 0.00 -0.07 0.28 -0.57 0.00 0.00 179.45 178.84 2yrs h VAL 61 N 0.00 1.71 -0.98 0.50 2.07 -1.22 0.10 116.25 118.44 2yrs h VAL 61 Ca 0.00 -2.19 0.10 0.00 0.82 0.00 0.00 66.70 65.43 2yrs h VAL 61 Cb 0.66 3.19 -0.08 0.00 -1.52 0.00 0.00 31.29 33.54 2yrs h VAL 61 CO 0.00 0.57 0.61 0.11 0.02 0.00 0.00 177.57 178.89 2yrs h LYS 62 N -0.86 0.98 -0.05 1.57 1.57 -1.43 0.23 116.57 118.58 2yrs h LYS 62 Ca -0.01 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.46 2yrs h LYS 62 Cb 0.98 -0.22 0.02 0.00 0.08 0.00 0.00 32.23 33.09 2yrs h LYS 62 CO 0.01 0.65 -0.93 0.00 -0.57 0.00 0.00 179.45 178.62 2yrs h ALA 63 N 1.51 0.18 -0.31 3.86 0.00 -1.30 -1.68 119.26 121.52 2yrs h ALA 63 Ca 0.47 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2yrs h ALA 63 Cb 0.40 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2yrs h ALA 63 CO -0.24 0.66 -0.34 1.25 0.00 0.00 0.00 179.25 180.58 2yrs h HIS 64 N 0.42 0.81 -0.51 0.00 -0.00 -0.17 -2.91 115.15 112.78 2yrs h HIS 64 Ca -0.10 -0.22 0.02 0.00 -0.00 0.00 0.00 60.37 60.07 2yrs h HIS 64 Cb 1.57 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 28.77 2yrs h HIS 64 CO 0.10 0.94 0.31 0.78 -0.00 0.00 0.00 177.93 180.06 2yrs h GLY 65 N 0.98 0.72 1.47 5.26 0.00 -0.47 0.22 103.07 111.25 2yrs h GLY 65 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2yrs h GLY 65 CO 0.07 0.21 0.33 1.70 0.00 0.00 0.00 176.54 178.86 2yrs h LYS 66 N 0.63 0.63 -0.10 4.80 3.64 -1.32 0.95 116.57 125.80 2yrs h LYS 66 Ca 0.20 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2yrs h LYS 66 Cb -0.01 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2yrs h LYS 66 CO -0.08 0.41 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.06 2yrs h LYS 67 N 0.65 0.33 0.32 1.90 3.64 -1.02 0.54 116.57 122.92 2yrs h LYS 67 Ca 0.19 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2yrs h LYS 67 Cb -0.02 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2yrs h LYS 67 CO -0.04 0.84 -0.24 0.28 -2.27 0.00 0.00 179.45 178.02 2yrs h VAL 68 N -0.12 0.50 0.00 2.00 2.07 -0.28 -2.12 116.25 118.29 2yrs h VAL 68 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2yrs h VAL 68 Cb 0.84 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2yrs h VAL 68 CO 0.05 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.53 2yrs h LEU 69 N -0.55 0.00 -0.63 2.57 -0.00 -0.87 -0.70 115.31 115.12 2yrs h LEU 69 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.78 2yrs h LEU 69 Cb 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 2yrs h LEU 69 CO -0.00 0.04 0.10 1.23 -0.00 0.00 0.00 178.44 179.81 2yrs h GLY 70 N 0.13 1.13 1.71 0.83 0.00 -0.49 0.35 103.07 106.73 2yrs h GLY 70 Ca -0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 47.33 46.35 2yrs h GLY 70 CO 0.01 0.70 -1.01 0.00 0.00 0.00 0.00 176.54 176.24 2yrs h ALA 71 N 1.03 0.35 -0.24 3.60 0.00 -0.71 -1.02 119.26 122.27 2yrs h ALA 71 Ca 0.19 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2yrs h ALA 71 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2yrs h ALA 71 CO 0.01 0.94 0.11 0.35 0.00 0.00 0.00 179.25 180.67 2yrs h PHE 72 N 0.11 0.34 -0.63 0.00 3.04 -1.07 -2.53 116.94 116.20 2yrs h PHE 72 Ca -0.07 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 61.96 2yrs h PHE 72 Cb 1.68 -0.11 -0.08 0.00 2.56 0.00 0.00 35.95 40.01 2yrs h PHE 72 CO 0.04 0.33 0.24 1.03 -2.02 0.00 0.00 178.31 177.93 2yrs h SER 73 N 0.25 0.23 -0.58 0.41 0.87 0.04 -2.07 113.55 112.70 2yrs h SER 73 Ca 0.08 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2yrs h SER 73 Cb 0.12 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2yrs h SER 73 CO -0.01 0.13 0.33 0.44 -0.53 0.00 0.00 176.83 177.18 2yrs h ASP 74 N 0.41 0.73 -0.24 6.23 3.32 -1.09 -2.73 116.42 123.05 2yrs h ASP 74 Ca 0.32 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.39 2yrs h ASP 74 Cb 0.41 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2yrs h ASP 74 CO -0.32 0.60 0.24 1.23 -1.72 0.00 0.00 179.24 179.26 2yrs h GLY 75 N 0.90 0.00 2.00 2.75 0.00 -0.93 -2.42 103.07 105.36 2yrs h GLY 75 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 2yrs h GLY 75 CO -0.03 0.00 -0.34 1.41 0.00 0.00 0.00 176.54 177.58 2yrs h LEU 76 N 0.00 0.00 0.00 3.11 4.07 -1.35 -0.16 115.31 120.98 2yrs h LEU 76 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2yrs h LEU 76 Cb 0.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 2yrs h LEU 76 CO -0.00 0.34 0.00 0.00 -1.08 0.00 0.00 178.44 177.70 2yrs n ALA 77 N -2.28 2.54 -2.52 1.53 0.00 -0.91 -3.84 120.51 115.03 2yrs n ALA 77 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.28 2yrs n ALA 77 Cb 0.49 -1.49 0.05 0.00 0.00 0.00 0.00 19.45 18.50 2yrs n ALA 77 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2yrs n HIS 78 N -1.16 0.64 0.19 0.00 8.25 -0.09 -4.85 115.22 118.20 2yrs n HIS 78 Ca 0.18 -1.30 0.05 0.00 -0.26 0.00 0.00 57.72 56.39 2yrs n HIS 78 Cb 0.18 -0.20 0.49 0.00 1.12 0.00 0.00 29.99 31.58 2yrs n HIS 78 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2yrs h LEU 79 N 1.66 0.08 -1.43 2.41 4.07 -1.61 0.20 115.31 120.69 2yrs h LEU 79 Ca -0.14 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2yrs h LEU 79 Cb 1.57 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 43.26 2yrs h LEU 79 CO 0.16 0.21 0.37 0.44 -1.08 0.00 0.00 178.44 178.55 2yrs h ASP 80 N 0.08 0.66 -2.08 -0.43 3.32 -1.89 -3.33 116.42 112.76 2yrs h ASP 80 Ca 0.02 -0.02 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2yrs h ASP 80 Cb 0.27 -0.17 -0.40 0.00 0.22 0.00 0.00 39.33 39.25 2yrs h ASP 80 CO 0.02 0.48 -0.97 -3.20 -1.72 0.00 0.00 179.24 173.85 2yrs n ASN 81 N -4.44 1.67 0.29 6.45 5.15 0.64 -4.65 115.26 120.37 2yrs n ASN 81 Ca 0.05 -3.07 -0.16 0.00 -0.60 0.00 0.00 54.58 50.80 2yrs n ASN 81 Cb 0.05 -0.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.59 2yrs n ASN 81 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2yrs h LEU 82 N 3.58 -0.61 -0.82 1.20 3.38 -1.52 -0.66 115.31 119.86 2yrs h LEU 82 Ca 0.11 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.16 2yrs h LEU 82 Cb 0.81 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 2yrs h LEU 82 CO 0.60 -0.33 -0.45 0.11 0.09 0.00 0.00 178.44 178.45 2yrs h LYS 83 N -0.88 -0.09 0.16 1.13 1.57 -1.90 0.23 116.57 116.79 2yrs h LYS 83 Ca -0.07 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2yrs h LYS 83 Cb 0.61 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 2yrs h LYS 83 CO 0.12 -0.06 -0.39 0.78 -0.57 0.00 0.00 179.45 179.33 2yrs h GLY 84 N -0.09 -0.80 1.38 3.86 0.00 -1.96 0.04 103.07 105.50 2yrs h GLY 84 Ca 0.24 0.46 0.09 0.00 0.00 0.00 0.00 47.33 48.12 2yrs h GLY 84 CO -0.85 -0.27 0.23 -0.84 0.00 0.00 0.00 176.54 174.80 2yrs h THR 85 N -0.65 0.80 -0.16 4.70 2.02 -0.16 -3.07 112.91 116.39 2yrs h THR 85 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2yrs h THR 85 Cb 0.66 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2yrs h THR 85 CO -0.20 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.18 2yrs n PHE 86 N -4.37 0.21 0.12 3.16 3.72 -0.02 -4.72 117.46 115.56 2yrs n PHE 86 Ca 0.04 -0.25 -0.14 0.00 -0.05 0.00 0.00 57.45 57.05 2yrs n PHE 86 Cb 0.39 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.85 2yrs n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2yrs h ALA 87 N 1.87 -0.67 -0.42 4.37 0.00 -0.89 0.21 119.26 123.72 2yrs h ALA 87 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2yrs h ALA 87 Cb 0.56 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2yrs h ALA 87 CO 0.00 -0.94 0.27 1.15 0.00 0.00 0.00 179.25 179.72 2yrs h THR 88 N -0.62 1.12 -0.31 0.00 2.02 -1.84 -1.29 112.91 112.00 2yrs h THR 88 Ca 0.02 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2yrs h THR 88 Cb 0.65 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2yrs h THR 88 CO -0.22 0.12 0.14 -0.07 0.37 0.00 0.00 175.52 175.86 2yrs h LEU 89 N 0.57 0.38 0.17 2.58 3.38 -1.80 -0.54 115.31 120.05 2yrs h LEU 89 Ca 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2yrs h LEU 89 Cb -0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2yrs h LEU 89 CO -0.03 0.34 -0.08 -1.28 0.09 0.00 0.00 178.44 177.47 2yrs h SER 90 N 0.43 -0.20 -0.63 -0.43 0.87 0.13 0.60 113.55 114.32 2yrs h SER 90 Ca 0.11 -0.24 0.13 0.00 -1.23 0.00 0.00 61.79 60.56 2yrs h SER 90 Cb 0.07 0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 61.97 2yrs h SER 90 CO -0.01 0.14 0.01 -0.33 -0.53 0.00 0.00 176.83 176.11 2yrs h GLU 91 N -0.56 0.12 -0.58 2.24 5.08 -1.25 0.28 114.58 119.90 2yrs h GLU 91 Ca -0.02 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2yrs h GLU 91 Cb 0.42 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2yrs h GLU 91 CO 0.04 0.08 0.28 1.25 -1.00 0.00 0.00 179.01 179.66 2yrs h LEU 92 N 0.12 0.38 -0.67 1.33 5.85 -0.70 0.31 115.31 121.93 2yrs h LEU 92 Ca 0.33 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.95 2yrs h LEU 92 Cb 0.54 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2yrs h LEU 92 CO -0.53 0.25 -0.59 0.45 -0.34 0.00 0.00 178.44 177.67 2yrs h HIS 93 N 0.53 0.29 0.06 1.25 3.86 -0.39 -0.60 115.15 120.16 2yrs h HIS 93 Ca 0.27 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2yrs h HIS 93 Cb 0.22 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2yrs h HIS 93 CO -0.11 0.77 -0.03 0.00 0.86 0.00 0.00 177.93 179.41 2yrs h ASP 95 N -0.62 0.42 0.04 0.00 3.32 -0.51 -2.90 116.42 116.16 2yrs h ASP 95 Ca -0.01 -0.34 -0.35 0.00 0.02 0.00 0.00 57.03 56.36 2yrs h ASP 95 Cb 0.06 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2yrs h ASP 95 CO 0.01 1.14 -1.96 0.29 -1.72 0.00 0.00 179.24 177.00 2yrs n LYS 96 N -3.71 0.64 0.00 3.56 4.76 -0.76 -4.65 118.16 118.01 2yrs n LYS 96 Ca -0.05 0.34 0.11 0.00 -2.87 0.00 0.00 58.31 55.84 2yrs n LYS 96 Cb 0.83 -1.64 -0.07 0.00 -1.84 0.00 0.00 35.03 32.31 2yrs n LYS 96 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2yrs n LEU 97 N -3.92 0.69 -4.08 -0.35 4.77 -0.30 -5.00 117.00 108.81 2yrs n LEU 97 Ca -0.39 -0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.04 2yrs n LEU 97 Cb 0.89 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.89 2yrs n LEU 97 CO 0.24 0.15 -0.25 1.41 -1.33 0.00 0.00 177.39 177.61 2yrs n HIS 98 N -1.74 -1.58 -2.89 -1.77 8.25 -0.80 -4.94 115.22 109.76 2yrs n HIS 98 Ca 0.02 0.73 -0.42 0.00 -0.26 0.00 0.00 57.72 57.79 2yrs n HIS 98 Cb 0.40 -3.38 -0.05 0.00 1.12 0.00 0.00 29.99 28.08 2yrs n HIS 98 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2yrs s VAL 99 N -3.92 4.67 0.01 1.59 1.01 -0.63 -5.02 120.40 118.11 2yrs s VAL 99 Ca 0.14 1.02 -0.33 0.00 0.00 0.00 0.00 61.98 62.81 2yrs s VAL 99 Cb -0.08 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 2yrs s VAL 99 CO 0.92 -0.48 1.85 -0.67 0.00 0.00 0.00 175.10 176.73 2yrs n ASP 100 N 6.57 3.65 0.29 3.32 -0.08 -1.26 -4.74 116.55 124.29 2yrs n ASP 100 Ca 0.05 0.97 0.18 0.00 -1.51 0.00 0.00 54.79 54.48 2yrs n ASP 100 Cb 0.48 -1.44 0.95 0.00 2.34 0.00 0.00 41.12 43.45 2yrs n ASP 100 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2yrs h PRO 101 N 8.96 0.00 -1.00 -0.67 0.11 -1.95 -0.32 132.00 137.13 2yrs h PRO 101 Ca -0.48 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.83 2yrs h PRO 101 Cb 1.25 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.26 2yrs h PRO 101 CO 0.94 0.00 0.62 1.49 -0.21 0.00 0.00 178.00 180.83 2yrs h GLU 102 N 0.00 0.65 -0.87 1.05 4.57 -1.98 -0.53 114.58 117.47 2yrs h GLU 102 Ca 0.00 -0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.32 2yrs h GLU 102 Cb 0.17 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.55 2yrs h GLU 102 CO 0.00 0.43 0.58 -0.91 -1.18 0.00 0.00 179.01 177.93 2yrs h ASN 103 N 0.67 0.45 0.22 1.04 4.21 -1.42 0.18 115.58 120.94 2yrs h ASN 103 Ca 0.57 0.04 -0.07 0.00 1.21 0.00 0.00 56.30 58.06 2yrs h ASN 103 Cb 1.02 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.16 2yrs h ASN 103 CO -0.36 0.20 -0.28 -0.26 -1.29 0.00 0.00 177.43 175.45 2yrs h PHE 104 N 0.46 0.10 -0.18 1.19 0.04 -1.28 -0.72 116.94 116.55 2yrs h PHE 104 Ca 0.45 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 61.07 2yrs h PHE 104 Cb 1.03 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.15 2yrs h PHE 104 CO -0.00 0.37 -0.40 0.00 -0.60 0.00 0.00 178.31 177.68 2yrs h ARG 105 N 0.09 0.59 -0.52 1.51 3.08 -0.66 -1.93 114.38 116.54 2yrs h ARG 105 Ca 0.01 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2yrs h ARG 105 Cb 0.54 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2yrs h ARG 105 CO 0.04 1.01 0.34 -0.07 -1.07 0.00 0.00 179.97 180.21 2yrs h LEU 106 N 0.26 0.61 -0.62 3.04 3.38 -0.96 -1.76 115.31 119.26 2yrs h LEU 106 Ca 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2yrs h LEU 106 Cb 1.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2yrs h LEU 106 CO 0.09 0.46 0.19 0.25 0.09 0.00 0.00 178.44 179.52 2yrs h LEU 107 N 0.71 0.90 -1.04 1.67 5.85 -1.16 -0.04 115.31 122.20 2yrs h LEU 107 Ca 0.19 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.79 2yrs h LEU 107 Cb -0.06 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.66 2yrs h LEU 107 CO -0.04 0.87 0.63 1.23 -0.34 0.00 0.00 178.44 180.80 2yrs h GLY 108 N 0.89 1.53 1.92 3.75 0.00 -0.93 0.47 103.07 110.70 2yrs h GLY 108 Ca 0.20 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.90 2yrs h GLY 108 CO -0.01 0.27 -0.83 3.43 0.00 0.00 0.00 176.54 179.40 2yrs h ASN 109 N 1.09 0.09 -0.35 0.19 2.35 -0.75 -1.64 115.58 116.56 2yrs h ASN 109 Ca 0.45 -0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.98 2yrs h ASN 109 Cb 0.29 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2yrs h ASN 109 CO -0.20 0.88 -0.36 0.58 -1.65 0.00 0.00 177.43 176.68 2yrs h VAL 110 N 0.04 1.28 -0.73 2.81 2.07 0.07 -2.13 116.25 119.66 2yrs h VAL 110 Ca -0.02 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 66.05 2yrs h VAL 110 Cb 1.46 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 2yrs h VAL 110 CO 0.12 0.50 0.39 0.25 0.02 0.00 0.00 177.57 178.85 2yrs h LEU 111 N 0.64 0.54 -0.84 2.57 5.85 -0.02 -0.35 115.31 123.70 2yrs h LEU 111 Ca 0.05 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2yrs h LEU 111 Cb 0.95 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 2yrs h LEU 111 CO 0.09 0.32 0.10 0.58 -0.34 0.00 0.00 178.44 179.19 2yrs h VAL 112 N 0.67 1.25 -0.66 1.05 2.07 -1.04 -0.81 116.25 118.79 2yrs h VAL 112 Ca 0.35 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 2yrs h VAL 112 Cb 0.32 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2yrs h VAL 112 CO -0.24 0.36 0.33 0.00 0.02 0.00 0.00 177.57 178.03 2yrs h VAL 114 N 0.92 1.29 -0.47 0.00 2.07 0.05 -1.22 116.25 118.89 2yrs h VAL 114 Ca 0.23 -1.86 -0.06 0.00 0.82 0.00 0.00 66.70 65.83 2yrs h VAL 114 Cb 0.08 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2yrs h VAL 114 CO -0.03 0.59 0.05 -0.07 0.02 0.00 0.00 177.57 178.13 2yrs h LEU 115 N 0.56 0.71 -0.45 2.57 3.38 -1.07 0.67 115.31 121.67 2yrs h LEU 115 Ca -0.01 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2yrs h LEU 115 Cb 1.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2yrs h LEU 115 CO 0.13 0.74 0.26 0.00 0.09 0.00 0.00 178.44 179.67 2yrs h ALA 116 N 1.35 0.57 -0.23 1.53 0.00 -0.75 0.11 119.26 121.83 2yrs h ALA 116 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2yrs h ALA 116 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2yrs h ALA 116 CO 0.01 -0.05 -0.09 1.25 0.00 0.00 0.00 179.25 180.37 2yrs h HIS 117 N 0.53 0.54 -0.17 0.00 -0.00 -0.66 -0.99 115.15 114.40 2yrs h HIS 117 Ca 0.18 -0.12 -0.17 0.00 -0.00 0.00 0.00 60.37 60.26 2yrs h HIS 117 Cb 0.02 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.30 2yrs h HIS 117 CO -0.07 0.72 -0.59 1.25 -0.00 0.00 0.00 177.93 179.24 2yrs h HIS 118 N 0.20 0.70 -0.02 5.26 6.17 -0.77 -3.31 115.15 123.37 2yrs h HIS 118 Ca 0.06 -0.26 0.00 0.00 0.71 0.00 0.00 60.37 60.88 2yrs h HIS 118 Cb 0.57 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.37 2yrs h HIS 118 CO 0.06 1.00 -0.16 1.19 0.71 0.00 0.00 177.93 180.73 2yrs n PHE 119 N -3.94 0.00 -0.23 5.26 3.72 0.36 -5.05 117.46 117.59 2yrs n PHE 119 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2yrs n PHE 119 Cb 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2yrs n PHE 119 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yrs n GLY 120 N 1.13 1.72 0.34 1.37 0.00 -0.38 -1.34 105.19 108.02 2yrs n GLY 120 Ca 0.09 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.09 2yrs n GLY 120 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2yrs h LYS 121 N 0.00 0.00 0.00 1.61 2.10 -1.96 1.48 116.57 119.80 2yrs h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2yrs h LYS 121 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2yrs h LYS 121 CO 0.00 0.00 0.00 1.96 -2.00 0.00 0.00 179.45 179.41 2yrs h GLN 122 N 0.00 0.00 -3.45 0.07 4.20 -1.60 -3.30 115.11 111.03 2yrs h GLN 122 Ca 0.01 0.00 -0.75 0.00 0.06 0.00 0.00 58.65 57.96 2yrs h GLN 122 Cb 0.48 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.11 2yrs h GLN 122 CO -0.00 0.00 2.10 0.34 -0.67 0.00 0.00 178.83 180.60 2yrs n PHE 123 N -2.71 2.91 -1.25 2.96 7.35 0.51 -4.95 117.46 122.28 2yrs n PHE 123 Ca 0.00 -2.79 -0.30 0.00 -0.76 0.00 0.00 57.45 53.59 2yrs n PHE 123 Cb 0.19 -1.96 0.11 0.00 0.35 0.00 0.00 39.48 38.18 2yrs n PHE 123 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2yrs s THR 124 N 0.37 3.03 0.18 -2.13 -4.23 -1.24 -4.60 115.64 107.01 2yrs s THR 124 Ca 0.41 0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 61.12 2yrs s THR 124 Cb 0.10 -2.83 0.09 0.00 1.34 0.00 0.00 72.50 71.20 2yrs s THR 124 CO -0.00 -0.44 1.74 -0.65 -0.54 0.00 0.00 174.62 174.73 2yrs h PRO 125 N -1.31 0.30 0.00 3.99 0.11 -1.93 0.36 132.00 133.52 2yrs h PRO 125 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2yrs h PRO 125 Cb 1.26 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2yrs h PRO 125 CO 0.53 0.20 -0.03 -1.35 -0.21 0.00 0.00 178.00 177.14 2yrs h PRO 126 N 0.31 0.00 0.20 1.05 0.11 -1.99 0.90 132.00 132.58 2yrs h PRO 126 Ca 0.23 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.99 2yrs h PRO 126 Cb 0.26 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.38 2yrs h PRO 126 CO -0.25 0.03 -1.71 0.28 -0.21 0.00 0.00 178.00 176.14 2yrs h VAL 127 N 0.00 0.99 -0.58 3.15 2.07 -1.56 -2.83 116.25 117.48 2yrs h VAL 127 Ca -0.00 -2.54 0.05 0.00 0.82 0.00 0.00 66.70 65.03 2yrs h VAL 127 Cb 0.21 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 2yrs h VAL 127 CO 0.00 0.85 0.31 -0.61 0.02 0.00 0.00 177.57 178.15 2yrs h GLN 128 N 0.11 0.58 -0.68 1.57 4.15 0.01 0.42 115.11 121.27 2yrs h GLN 128 Ca -0.33 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.07 2yrs h GLN 128 Cb 2.11 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 29.63 2yrs h GLN 128 CO 0.19 0.38 0.45 0.00 -1.93 0.00 0.00 178.83 177.93 2yrs h ALA 129 N 1.31 1.54 -0.00 3.38 0.00 -0.83 0.14 119.26 124.80 2yrs h ALA 129 Ca 0.26 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.90 2yrs h ALA 129 Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2yrs h ALA 129 CO -0.17 0.41 -0.93 0.00 0.00 0.00 0.00 179.25 178.57 2yrs h ALA 130 N 1.58 0.38 -0.18 0.00 0.00 -1.16 -2.22 119.26 117.66 2yrs h ALA 130 Ca 0.26 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2yrs h ALA 130 Cb -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2yrs h ALA 130 CO -0.06 0.82 -0.25 1.88 0.00 0.00 0.00 179.25 181.64 2yrs h TYR 131 N 0.23 0.37 -0.65 0.00 0.05 0.14 -2.36 116.97 114.75 2yrs h TYR 131 Ca -0.08 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.55 2yrs h TYR 131 Cb 1.56 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 39.18 2yrs h TYR 131 CO 0.06 0.56 0.09 1.96 -1.05 0.00 0.00 178.16 179.79 2yrs h GLN 132 N 0.30 1.07 -0.52 4.88 1.08 -0.54 0.26 115.11 121.64 2yrs h GLN 132 Ca 0.05 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 56.93 2yrs h GLN 132 Cb 0.61 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2yrs h GLN 132 CO 0.04 0.99 0.21 0.87 -0.95 0.00 0.00 178.83 179.99 2yrs h LYS 133 N 1.00 0.78 -0.14 1.46 1.57 -1.30 -1.67 116.57 118.27 2yrs h LYS 133 Ca 0.20 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2yrs h LYS 133 Cb 0.44 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2yrs h LYS 133 CO 0.01 0.69 0.08 0.28 -0.57 0.00 0.00 179.45 179.95 2yrs h VAL 134 N 0.71 1.07 -0.05 0.50 2.07 -1.30 -0.62 116.25 118.63 2yrs h VAL 134 Ca 0.17 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 2yrs h VAL 134 Cb 0.20 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2yrs h VAL 134 CO -0.01 0.07 -0.51 1.62 0.02 0.00 0.00 177.57 178.75 2yrs h VAL 135 N 0.15 1.36 -0.21 2.57 3.04 -0.82 0.93 116.25 123.27 2yrs h VAL 135 Ca 0.05 -1.76 -0.20 0.00 -1.01 0.00 0.00 66.70 63.78 2yrs h VAL 135 Cb 0.04 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2yrs h VAL 135 CO -0.01 0.52 -0.65 0.00 -1.01 0.00 0.00 177.57 176.42 2yrs h ALA 136 N 1.36 0.46 -0.65 3.17 0.00 -1.19 -1.52 119.26 120.88 2yrs h ALA 136 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 2yrs h ALA 136 Cb 0.94 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2yrs h ALA 136 CO 0.07 0.69 0.23 0.78 0.00 0.00 0.00 179.25 181.02 2yrs h GLY 137 N 0.75 1.08 1.36 0.00 0.00 -0.13 -0.69 103.07 105.44 2yrs h GLY 137 Ca -0.01 -0.62 -0.14 0.00 0.00 0.00 0.00 47.33 46.56 2yrs h GLY 137 CO 0.13 0.58 -0.36 -2.08 0.00 0.00 0.00 176.54 174.81 2yrs h VAL 138 N 0.94 1.29 -0.23 4.60 2.07 -0.74 -0.18 116.25 123.99 2yrs h VAL 138 Ca 0.21 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 2yrs h VAL 138 Cb 0.26 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2yrs h VAL 138 CO -0.01 0.49 -0.21 0.00 0.02 0.00 0.00 177.57 177.86 2yrs h ALA 139 N 1.01 0.34 -0.94 1.67 0.00 -0.87 -0.54 119.26 119.92 2yrs h ALA 139 Ca 0.06 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2yrs h ALA 139 Cb 0.89 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2yrs h ALA 139 CO 0.08 0.28 0.62 -0.91 0.00 0.00 0.00 179.25 179.33 2yrs h ASN 140 N 0.25 1.08 -0.52 0.00 -0.26 -1.10 -1.11 115.58 113.92 2yrs h ASN 140 Ca 0.04 -0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.68 2yrs h ASN 140 Cb 0.76 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 2yrs h ASN 140 CO 0.05 0.78 0.05 0.00 -1.06 0.00 0.00 177.43 177.26 2yrs h ALA 141 N 1.34 0.69 0.00 -0.83 0.00 -0.78 -2.33 119.26 117.36 2yrs h ALA 141 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2yrs h ALA 141 Cb -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2yrs h ALA 141 CO -0.07 0.46 0.00 -0.07 0.00 0.00 0.00 179.25 179.57 2yrs h LEU 142 N 0.76 0.00 -0.48 0.00 3.38 -0.93 -2.00 115.31 116.04 2yrs h LEU 142 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2yrs h LEU 142 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2yrs h LEU 142 CO 0.02 0.00 -0.46 0.00 0.09 0.00 0.00 178.44 178.08 2yrs n ALA 143 N -1.92 3.53 0.12 1.53 0.00 -0.44 -4.42 120.51 118.92 2yrs n ALA 143 Ca 0.01 -0.49 0.03 0.00 0.00 0.00 0.00 53.44 52.99 2yrs n ALA 143 Cb 0.23 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.70 2yrs n ALA 143 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2yrs h HIS 144 N 1.17 0.00 -0.22 0.00 2.07 -0.89 -2.91 115.15 114.38 2yrs h HIS 144 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2yrs h HIS 144 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 2yrs h HIS 144 CO 0.00 0.46 0.00 1.63 -3.07 0.00 0.00 177.93 176.95 2yrs n LYS 145 N -3.12 1.63 -2.68 5.12 4.76 -1.26 -4.93 118.16 117.67 2yrs n LYS 145 Ca -0.00 -0.83 -0.39 0.00 -2.87 0.00 0.00 58.31 54.22 2yrs n LYS 145 Cb 0.74 -1.27 -0.06 0.00 -1.84 0.00 0.00 35.03 32.60 2yrs n LYS 145 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2yrs s TYR 146 N -1.67 3.72 0.00 2.13 1.51 -1.10 -4.67 117.35 117.27 2yrs s TYR 146 Ca 0.15 1.80 0.00 0.00 -1.01 0.00 0.00 57.07 58.01 2yrs s TYR 146 Cb 0.09 -3.03 0.00 0.00 -0.11 0.00 0.00 41.96 38.90 2yrs s TYR 146 CO 0.09 0.05 0.00 -2.39 -1.11 0.00 0.00 175.55 172.19