#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrs n HIS 3 N 0.00 0.00 -3.47 3.52 -0.00 -1.26 -5.02 115.22 109.00 2yrs n HIS 3 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 2yrs n HIS 3 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 2yrs n HIS 3 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2yrs s LEU 4 N 0.00 4.09 0.53 2.41 2.01 -1.26 -5.04 118.68 121.42 2yrs s LEU 4 Ca 0.00 0.29 -0.20 0.00 0.01 0.00 0.00 54.13 54.23 2yrs s LEU 4 Cb 0.00 -2.35 -0.08 0.00 0.01 0.00 0.00 46.19 43.77 2yrs s LEU 4 CO 0.00 -0.08 0.86 0.35 1.01 0.00 0.00 176.35 178.49 2yrs n THR 5 N 4.68 2.90 0.30 5.49 -2.24 -1.26 -4.73 114.28 119.42 2yrs n THR 5 Ca -0.10 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.35 2yrs n THR 5 Cb 0.51 -1.02 0.99 0.00 -2.10 0.00 0.00 70.33 68.70 2yrs n THR 5 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2yrs h PRO 6 N 0.78 0.00 0.00 -0.78 0.13 -1.99 -0.60 132.00 129.54 2yrs h PRO 6 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 2yrs h PRO 6 Cb 1.36 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 2yrs h PRO 6 CO 0.52 0.00 -1.29 1.05 -0.23 0.00 0.00 178.00 178.05 2yrs h GLU 7 N 0.00 0.00 0.33 0.86 9.09 -1.99 -2.89 114.58 119.97 2yrs h GLU 7 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2yrs h GLU 7 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 2yrs h GLU 7 CO -0.00 0.76 -0.17 0.93 0.05 0.00 0.00 179.01 180.58 2yrs h GLU 8 N 0.00 -0.44 -0.63 1.06 5.08 -1.72 -1.98 114.58 115.95 2yrs h GLU 8 Ca -0.13 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.39 2yrs h GLU 8 Cb 1.86 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 31.11 2yrs h GLU 8 CO 0.11 -0.29 0.11 0.87 -1.00 0.00 0.00 179.01 178.81 2yrs h LYS 9 N -0.46 0.23 0.00 2.33 1.57 -1.21 0.14 116.57 119.17 2yrs h LYS 9 Ca -0.04 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2yrs h LYS 9 Cb 0.36 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2yrs h LYS 9 CO 0.06 0.15 -0.34 0.77 -0.57 0.00 0.00 179.45 179.53 2yrs h SER 10 N 0.24 0.00 -0.15 0.86 0.02 -1.49 -1.42 113.55 111.60 2yrs h SER 10 Ca 0.33 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.15 2yrs h SER 10 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2yrs h SER 10 CO -0.44 0.34 -0.44 0.00 -1.14 0.00 0.00 176.83 175.15 2yrs h ALA 11 N 1.66 0.26 0.18 3.77 0.00 -0.01 0.08 119.26 125.20 2yrs h ALA 11 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2yrs h ALA 11 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2yrs h ALA 11 CO 0.04 0.39 -0.14 0.28 0.00 0.00 0.00 179.25 179.82 2yrs h VAL 12 N 0.20 0.69 -0.43 0.00 2.07 -0.93 -2.70 116.25 115.17 2yrs h VAL 12 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2yrs h VAL 12 Cb 1.06 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2yrs h VAL 12 CO 0.09 0.00 0.21 0.74 0.02 0.00 0.00 177.57 178.64 2yrs h THR 13 N -0.33 1.17 -0.55 2.57 2.02 -1.29 -0.40 112.91 116.10 2yrs h THR 13 Ca -0.01 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2yrs h THR 13 Cb 0.30 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2yrs h THR 13 CO -0.01 0.18 0.20 0.00 0.37 0.00 0.00 175.52 176.27 2yrs h ALA 14 N 1.06 1.33 0.16 6.16 0.00 -0.89 -1.94 119.26 125.14 2yrs h ALA 14 Ca 0.15 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 2yrs h ALA 14 Cb 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.68 2yrs h ALA 14 CO -0.02 0.50 -1.30 1.25 0.00 0.00 0.00 179.25 179.68 2yrs h LEU 15 N 0.79 0.55 -1.32 0.00 7.12 -1.37 -3.28 115.31 117.81 2yrs h LEU 15 Ca 0.19 -0.58 -0.03 0.00 0.13 0.00 0.00 57.88 57.59 2yrs h LEU 15 Cb 0.18 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 2yrs h LEU 15 CO -0.02 1.45 0.16 -0.25 -0.13 0.00 0.00 178.44 179.65 2yrs h TRP 16 N 0.10 0.62 -0.47 1.25 2.91 -0.53 -1.71 115.95 118.13 2yrs h TRP 16 Ca -0.17 -0.03 0.14 0.00 1.13 0.00 0.00 58.89 59.96 2yrs h TRP 16 Cb 2.01 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 30.45 2yrs h TRP 16 CO 0.08 0.50 0.34 0.78 -1.03 0.00 0.00 178.44 179.12 2yrs h GLY 17 N 0.79 0.00 -2.57 2.65 0.00 -1.43 0.29 103.07 102.80 2yrs h GLY 17 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2yrs h GLY 17 CO -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 2yrs n LYS 18 N -4.35 3.24 -3.29 4.80 5.02 -0.64 -4.86 118.16 118.08 2yrs n LYS 18 Ca 0.08 -2.26 -0.39 0.00 -2.02 0.00 0.00 58.31 53.72 2yrs n LYS 18 Cb 0.55 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.84 5.12 -0.72 -0.18 1.01 0.10 -5.00 120.40 118.89 2yrs s VAL 19 Ca 0.40 0.84 -0.26 0.00 0.00 0.00 0.00 61.98 62.96 2yrs s VAL 19 Cb 0.26 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2yrs s VAL 19 CO 0.19 0.17 1.51 0.21 0.00 0.00 0.00 175.10 177.17 2yrs s ASN 20 N 1.28 5.84 0.12 3.32 2.47 -1.26 -4.90 114.94 121.81 2yrs s ASN 20 Ca 0.21 -0.26 -0.15 0.00 0.42 0.00 0.00 52.86 53.08 2yrs s ASN 20 Cb -0.15 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.07 2yrs s ASN 20 CO 0.09 -2.03 1.58 0.58 -3.72 0.00 0.00 177.10 173.60 2yrs h VAL 21 N 6.42 1.25 -0.70 -5.21 2.07 -1.94 -1.38 116.25 116.76 2yrs h VAL 21 Ca -0.23 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.43 2yrs h VAL 21 Cb 1.08 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 2yrs h VAL 21 CO 1.27 0.31 -0.41 0.47 0.02 0.00 0.00 177.57 179.23 2yrs n ASP 22 N -4.51 -0.74 -0.07 0.57 9.92 -1.26 -1.60 116.55 118.87 2yrs n ASP 22 Ca -0.01 1.28 -0.12 0.00 -0.53 0.00 0.00 54.79 55.41 2yrs n ASP 22 Cb 0.26 -0.18 -0.11 0.00 -0.64 0.00 0.00 41.12 40.44 2yrs n ASP 22 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2yrs h GLU 23 N 0.00 -0.00 -0.91 -1.24 4.81 -1.68 -3.18 114.58 112.37 2yrs h GLU 23 Ca 0.11 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.52 2yrs h GLU 23 Cb 0.29 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.56 2yrs h GLU 23 CO -0.66 0.87 0.49 0.28 -0.73 0.00 0.00 179.01 179.27 2yrs h VAL 24 N -1.00 0.67 -0.52 0.32 2.07 -1.39 -0.35 116.25 116.06 2yrs h VAL 24 Ca -0.00 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.31 2yrs h VAL 24 Cb 0.87 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2yrs h VAL 24 CO 0.00 0.12 0.34 1.23 0.02 0.00 0.00 177.57 179.28 2yrs h GLY 25 N 0.63 0.73 0.84 2.17 0.00 -1.35 0.27 103.07 106.37 2yrs h GLY 25 Ca 0.52 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 2yrs h GLY 25 CO -0.40 0.26 -0.03 -1.33 0.00 0.00 0.00 176.54 175.04 2yrs h GLY 26 N 0.70 0.47 0.01 4.60 0.00 -1.41 0.93 103.07 108.37 2yrs h GLY 26 Ca 0.19 -0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.26 2yrs h GLY 26 CO -0.05 0.34 -0.07 0.83 0.00 0.00 0.00 176.54 177.59 2yrs h GLU 27 N 0.19 0.05 -0.04 4.80 4.39 -0.85 0.12 114.58 123.24 2yrs h GLU 27 Ca 0.06 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.58 2yrs h GLU 27 Cb 0.46 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2yrs h GLU 27 CO 0.02 0.03 -0.69 0.00 -1.16 0.00 0.00 179.01 177.21 2yrs h ALA 28 N 1.51 0.14 -0.06 3.43 0.00 -0.26 0.71 119.26 124.73 2yrs h ALA 28 Ca 0.27 -0.59 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 2yrs h ALA 28 Cb 0.41 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2yrs h ALA 28 CO -0.50 0.47 -0.91 1.25 0.00 0.00 0.00 179.25 179.56 2yrs h LEU 29 N 0.13 0.82 -0.40 0.00 5.85 -0.61 -1.37 115.31 119.73 2yrs h LEU 29 Ca -0.07 -0.60 -0.03 0.00 0.84 0.00 0.00 57.88 58.01 2yrs h LEU 29 Cb 1.37 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2yrs h LEU 29 CO 0.14 1.40 0.13 1.23 -0.34 0.00 0.00 178.44 181.00 2yrs h GLY 30 N 0.69 0.66 1.55 3.75 0.00 -0.73 -2.38 103.07 106.62 2yrs h GLY 30 Ca -0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2yrs h GLY 30 CO 0.18 0.36 0.14 3.21 0.00 0.00 0.00 176.54 180.42 2yrs h ARG 31 N 0.50 0.58 -0.92 4.80 3.08 -0.82 0.89 114.38 122.49 2yrs h ARG 31 Ca 0.13 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.12 2yrs h ARG 31 Cb 0.24 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 2yrs h ARG 31 CO -0.01 0.50 0.60 1.25 -1.07 0.00 0.00 179.97 181.25 2yrs h LEU 32 N 0.57 1.02 0.00 3.04 5.85 -0.75 0.25 115.31 125.30 2yrs h LEU 32 Ca 0.14 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2yrs h LEU 32 Cb 0.15 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2yrs h LEU 32 CO -0.01 0.72 -0.91 -0.07 -0.34 0.00 0.00 178.44 177.83 2yrs h LEU 33 N 1.19 0.00 0.20 2.25 4.07 -0.84 -2.07 115.31 120.11 2yrs h LEU 33 Ca 0.35 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 58.05 2yrs h LEU 33 Cb -0.05 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.72 2yrs h LEU 33 CO -0.09 0.53 -1.16 0.58 -1.08 0.00 0.00 178.44 177.21 2yrs h VAL 34 N 0.00 1.38 0.10 1.22 2.07 -0.07 -3.29 116.25 117.66 2yrs h VAL 34 Ca -0.07 -2.61 -0.27 0.00 0.82 0.00 0.00 66.70 64.57 2yrs h VAL 34 Cb 1.46 3.11 -0.01 0.00 -1.52 0.00 0.00 31.29 34.34 2yrs h VAL 34 CO 0.06 0.76 -1.29 0.58 0.02 0.00 0.00 177.57 177.70 2yrs h VAL 35 N -0.12 1.42 -2.87 2.57 2.07 -0.58 -3.35 116.25 115.39 2yrs h VAL 35 Ca -0.21 -3.04 -0.61 0.00 0.82 0.00 0.00 66.70 63.66 2yrs h VAL 35 Cb 1.91 2.86 -0.41 0.00 -1.52 0.00 0.00 31.29 34.13 2yrs h VAL 35 CO 0.21 0.87 -0.68 -1.22 0.02 0.00 0.00 177.57 176.77 2yrs n TYR 36 N -3.46 2.11 0.17 1.57 4.01 -0.78 -4.98 117.16 115.80 2yrs n TYR 36 Ca -0.09 -4.04 0.14 0.00 -0.16 0.00 0.00 57.90 53.75 2yrs n TYR 36 Cb 1.02 -0.38 0.71 0.00 -0.31 0.00 0.00 39.34 40.38 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 5.42 0.00 0.00 -0.72 0.11 -1.71 -1.54 132.00 133.56 2yrs h PRO 37 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2yrs h PRO 37 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2yrs h PRO 37 CO 0.62 0.00 0.21 0.11 -0.21 0.00 0.00 178.00 178.73 2yrs h TRP 38 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.31 115.95 113.47 2yrs h TRP 38 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.07 2yrs h TRP 38 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.64 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 -0.56 0.12 1.35 -1.59 -2.87 112.91 109.37 2yrs h THR 39 Ca 0.00 -0.68 0.16 0.00 -0.55 0.00 0.00 66.41 65.34 2yrs h THR 39 Cb 0.41 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 2yrs h THR 39 CO 0.00 0.00 0.47 1.56 -0.25 0.00 0.00 175.52 177.30 2yrs h GLN 40 N 0.00 0.00 -0.25 4.72 4.20 -1.45 -3.10 115.11 119.23 2yrs h GLN 40 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 2yrs h GLN 40 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 2yrs h GLN 40 CO 0.00 0.00 0.90 0.07 -0.67 0.00 0.00 178.83 179.13 2yrs h ARG 41 N 0.00 0.00 -0.03 1.46 0.11 -1.71 0.77 114.38 114.98 2yrs h ARG 41 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 2yrs h ARG 41 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2yrs h ARG 41 CO -0.00 0.00 -0.13 1.19 0.10 0.00 0.00 179.97 181.13 2yrs n PHE 42 N -2.80 0.00 -1.80 4.08 3.72 -1.17 -4.41 117.46 115.08 2yrs n PHE 42 Ca 0.05 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.50 2yrs n PHE 42 Cb 0.99 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.63 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 0.96 0.00 -0.28 1.38 3.72 0.27 -4.78 117.46 118.72 2yrs n PHE 43 Ca 0.12 -0.77 -0.00 0.00 -0.05 0.00 0.00 57.45 56.76 2yrs n PHE 43 Cb 0.56 -0.15 0.07 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.52 -0.04 0.00 -1.08 4.39 -1.76 -1.50 114.58 115.12 2yrs h GLU 44 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2yrs h GLU 44 Cb 1.33 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2yrs h GLU 44 CO 0.03 -0.03 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 2yrs n SER 45 N -5.50 0.00 -0.28 1.42 3.41 -1.26 -2.12 113.62 109.30 2yrs n SER 45 Ca 0.09 -0.54 0.11 0.00 -0.26 0.00 0.00 58.87 58.28 2yrs n SER 45 Cb 0.40 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.73 0.00 -1.63 7.33 3.01 -0.56 -5.08 117.46 119.80 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 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 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 1.43 0.31 3.67 1.37 0.00 -0.90 -4.79 105.19 106.27 2yrs n GLY 47 Ca 0.08 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 6.90 -0.04 1.61 2.15 -1.26 -4.84 116.67 117.19 2yrs s ASP 48 Ca 0.00 1.84 0.24 0.00 0.43 0.00 0.00 52.55 55.06 2yrs s ASP 48 Cb 0.00 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.51 2yrs s ASP 48 CO 0.00 -0.76 1.17 0.18 -0.17 0.00 0.00 175.17 175.59 2yrs n LEU 49 N 6.39 1.28 0.13 -1.34 4.77 -1.26 -4.34 117.00 122.62 2yrs n LEU 49 Ca 0.14 -2.32 0.04 0.00 -0.03 0.00 0.00 56.01 53.85 2yrs n LEU 49 Cb 0.45 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.51 2yrs n LEU 49 CO 0.57 0.66 0.33 0.77 -1.33 0.00 0.00 177.39 178.38 2yrs h SER 50 N 1.09 0.00 -4.93 -1.43 4.64 -1.89 -3.45 113.55 107.58 2yrs h SER 50 Ca -0.19 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.95 2yrs h SER 50 Cb 1.75 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.69 2yrs h SER 50 CO 0.10 0.38 -0.68 0.42 -0.87 0.00 0.00 176.83 176.18 2yrs s THR 51 N -3.03 0.45 0.17 2.95 -4.23 -1.26 -5.03 115.64 105.65 2yrs s THR 51 Ca 0.03 -1.88 -0.20 0.00 -1.18 0.00 0.00 61.69 58.45 2yrs s THR 51 Cb 0.08 -1.66 0.10 0.00 1.34 0.00 0.00 72.50 72.36 2yrs s THR 51 CO 0.75 -0.88 1.61 -0.65 -0.54 0.00 0.00 174.62 174.91 2yrs h PRO 52 N 3.03 -0.17 -0.68 3.99 0.11 -1.97 -0.22 132.00 136.08 2yrs h PRO 52 Ca -0.35 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2yrs h PRO 52 Cb 1.16 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2yrs h PRO 52 CO 0.65 -0.12 0.39 -0.44 -0.21 0.00 0.00 178.00 178.28 2yrs h ASP 53 N -0.18 0.83 -0.21 -2.05 3.32 -1.97 0.46 116.42 116.62 2yrs h ASP 53 Ca 0.20 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2yrs h ASP 53 Cb 0.50 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2yrs h ASP 53 CO -0.55 0.67 0.06 0.00 -1.72 0.00 0.00 179.24 177.70 2yrs h ALA 54 N 1.20 1.56 0.01 3.45 0.00 -1.84 0.12 119.26 123.77 2yrs h ALA 54 Ca 0.24 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2yrs h ALA 54 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2yrs h ALA 54 CO -0.04 0.33 -0.36 0.28 0.00 0.00 0.00 179.25 179.46 2yrs h VAL 55 N 0.42 1.53 0.00 0.00 2.07 0.03 -2.87 116.25 117.43 2yrs h VAL 55 Ca 0.10 -2.05 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 2yrs h VAL 55 Cb 0.18 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2yrs h VAL 55 CO -0.00 0.57 -0.21 0.24 0.02 0.00 0.00 177.57 178.19 2yrs h MET 56 N -0.43 0.00 0.00 1.57 2.07 0.18 -2.84 114.93 115.47 2yrs h MET 56 Ca -0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 2yrs h MET 56 Cb 1.12 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.85 2yrs h MET 56 CO 0.07 0.21 -0.95 0.41 1.07 0.00 0.00 176.91 177.72 2yrs n GLY 57 N -0.09 -1.21 3.66 8.32 0.00 0.40 -4.92 105.19 111.36 2yrs n GLY 57 Ca -0.00 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 2yrs n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yrs n ASN 58 N -1.88 3.85 0.17 1.61 2.85 -1.08 -4.88 115.26 115.90 2yrs n ASN 58 Ca 0.03 0.89 0.01 0.00 -0.11 0.00 0.00 54.58 55.40 2yrs n ASN 58 Cb 0.42 -1.47 0.32 0.00 1.24 0.00 0.00 39.78 40.29 2yrs n ASN 58 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2yrs h PRO 59 N 10.32 0.04 0.00 1.20 0.11 -1.91 -1.59 132.00 140.17 2yrs h PRO 59 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2yrs h PRO 59 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2yrs h PRO 59 CO 0.95 0.43 0.00 0.87 -0.21 0.00 0.00 178.00 180.04 2yrs h LYS 60 N 0.03 0.00 0.09 1.05 1.57 -1.90 0.82 116.57 118.23 2yrs h LYS 60 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2yrs h LYS 60 Cb 0.72 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.05 2yrs h LYS 60 CO 0.05 0.00 -0.87 0.28 -0.57 0.00 0.00 179.45 178.34 2yrs h VAL 61 N 0.00 1.42 -0.20 0.50 2.07 -1.63 0.13 116.25 118.54 2yrs h VAL 61 Ca 0.00 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 65.13 2yrs h VAL 61 Cb 0.46 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2yrs h VAL 61 CO 0.00 0.69 0.03 0.11 0.02 0.00 0.00 177.57 178.42 2yrs h LYS 62 N -0.10 0.34 0.14 1.57 1.57 -1.14 -0.83 116.57 118.12 2yrs h LYS 62 Ca -0.14 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2yrs h LYS 62 Cb 1.62 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.86 2yrs h LYS 62 CO 0.17 0.49 -0.39 0.00 -0.57 0.00 0.00 179.45 179.15 2yrs h ALA 63 N 0.83 -0.91 -0.54 3.86 0.00 -0.89 -2.34 119.26 119.26 2yrs h ALA 63 Ca 0.06 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2yrs h ALA 63 Cb 0.32 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2yrs h ALA 63 CO 0.00 -0.99 0.19 1.25 0.00 0.00 0.00 179.25 179.70 2yrs h HIS 64 N -0.59 0.33 -0.93 0.00 -0.00 -0.66 -2.56 115.15 110.74 2yrs h HIS 64 Ca -0.01 0.03 0.13 0.00 -0.00 0.00 0.00 60.37 60.51 2yrs h HIS 64 Cb 0.57 -0.06 -0.09 0.00 -0.00 0.00 0.00 27.41 27.83 2yrs h HIS 64 CO -0.38 0.09 0.56 0.78 -0.00 0.00 0.00 177.93 178.98 2yrs h GLY 65 N 0.36 1.53 0.92 5.26 0.00 -1.09 0.14 103.07 110.19 2yrs h GLY 65 Ca 0.26 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.26 2yrs h GLY 65 CO -0.28 0.09 0.47 1.70 0.00 0.00 0.00 176.54 178.53 2yrs h LYS 66 N 0.85 0.92 -0.21 4.80 3.64 -1.02 0.29 116.57 125.84 2yrs h LYS 66 Ca 0.48 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 2yrs h LYS 66 Cb 0.54 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2yrs h LYS 66 CO -0.29 0.61 0.02 -0.22 -2.27 0.00 0.00 179.45 177.29 2yrs h LYS 67 N 0.94 0.36 0.18 1.90 3.64 -0.73 0.87 116.57 123.73 2yrs h LYS 67 Ca 0.29 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2yrs h LYS 67 Cb -0.03 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2yrs h LYS 67 CO -0.09 0.53 -0.09 0.28 -2.27 0.00 0.00 179.45 177.81 2yrs h VAL 68 N 0.14 0.84 0.00 2.00 2.07 -0.64 -1.02 116.25 119.64 2yrs h VAL 68 Ca 0.06 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2yrs h VAL 68 Cb 0.36 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2yrs h VAL 68 CO 0.01 0.02 -0.28 -0.07 0.02 0.00 0.00 177.57 177.26 2yrs h LEU 69 N -0.27 0.00 -0.62 2.57 3.38 -0.99 0.59 115.31 119.97 2yrs h LEU 69 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2yrs h LEU 69 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2yrs h LEU 69 CO 0.04 0.28 -0.19 1.23 0.09 0.00 0.00 178.44 179.89 2yrs h GLY 70 N 1.76 0.96 1.28 0.83 0.00 -0.50 0.66 103.07 108.05 2yrs h GLY 70 Ca -0.00 -0.82 -0.21 0.00 0.00 0.00 0.00 47.33 46.30 2yrs h GLY 70 CO 0.04 0.74 -0.76 0.00 0.00 0.00 0.00 176.54 176.56 2yrs h ALA 71 N 1.00 0.38 -0.25 3.60 0.00 -0.29 -2.01 119.26 121.69 2yrs h ALA 71 Ca 0.11 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2yrs h ALA 71 Cb 0.73 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2yrs h ALA 71 CO 0.06 0.70 0.11 0.35 0.00 0.00 0.00 179.25 180.47 2yrs h PHE 72 N 0.49 0.21 -0.30 0.00 3.04 -0.84 -1.30 116.94 118.24 2yrs h PHE 72 Ca -0.05 0.01 0.07 0.00 3.98 0.00 0.00 57.97 61.98 2yrs h PHE 72 Cb 1.38 -0.06 -0.07 0.00 2.56 0.00 0.00 35.95 39.76 2yrs h PHE 72 CO 0.08 0.11 -0.16 1.03 -2.02 0.00 0.00 178.31 177.34 2yrs h SER 73 N 0.24 -0.55 -0.32 0.41 0.87 0.52 -1.47 113.55 113.26 2yrs h SER 73 Ca 0.10 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 2yrs h SER 73 Cb 0.04 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2yrs h SER 73 CO -0.08 -0.20 0.22 0.44 -0.53 0.00 0.00 176.83 176.67 2yrs h ASP 74 N -0.13 0.26 -0.16 6.23 3.32 -1.13 -0.50 116.42 124.32 2yrs h ASP 74 Ca 0.16 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.25 2yrs h ASP 74 Cb 0.37 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2yrs h ASP 74 CO -0.38 0.18 0.12 1.23 -1.72 0.00 0.00 179.24 178.67 2yrs h GLY 75 N 0.30 0.00 2.00 2.75 0.00 -0.17 -2.70 103.07 105.24 2yrs h GLY 75 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2yrs h GLY 75 CO -0.03 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.92 2yrs h LEU 76 N 0.00 0.00 -0.33 3.11 4.07 -0.67 -1.62 115.31 119.87 2yrs h LEU 76 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2yrs h LEU 76 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2yrs h LEU 76 CO -0.00 0.00 -0.38 0.00 -1.08 0.00 0.00 178.44 176.98 2yrs n ALA 77 N -1.90 3.32 -2.56 1.53 0.00 -1.02 -4.26 120.51 115.62 2yrs n ALA 77 Ca 0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.06 2yrs n ALA 77 Cb 0.36 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.94 0.86 -0.39 0.00 8.25 -0.62 -4.93 115.22 117.45 2yrs n HIS 78 Ca 0.09 -1.52 0.35 0.00 -0.26 0.00 0.00 57.72 56.38 2yrs n HIS 78 Cb 0.35 -0.21 0.69 0.00 1.12 0.00 0.00 29.99 31.94 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 1.89 0.14 -1.12 2.41 4.07 -1.71 0.30 115.31 121.30 2yrs h LEU 79 Ca -0.12 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.88 2yrs h LEU 79 Cb 1.50 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.26 2yrs h LEU 79 CO 0.19 -0.01 0.00 0.47 -1.08 0.00 0.00 178.44 178.01 2yrs n ASP 80 N -4.33 1.66 -2.81 -0.43 8.00 -1.26 -3.97 116.55 113.41 2yrs n ASP 80 Ca 0.30 -1.78 -0.11 0.00 0.71 0.00 0.00 54.79 53.91 2yrs n ASP 80 Cb 1.30 -0.14 0.05 0.00 -0.02 0.00 0.00 41.12 42.31 2yrs n ASP 80 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2yrs n ASN 81 N 0.34 -0.43 -0.01 -2.24 5.15 0.10 -4.95 115.26 113.23 2yrs n ASN 81 Ca 0.15 -2.94 -0.11 0.00 -0.60 0.00 0.00 54.58 51.08 2yrs n ASN 81 Cb 0.31 0.41 -0.05 0.00 -0.53 0.00 0.00 39.78 39.92 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 2.74 0.08 -1.11 1.20 3.38 -1.63 -0.69 115.31 119.27 2yrs h LEU 82 Ca -0.10 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.06 2yrs h LEU 82 Cb 1.14 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 2yrs h LEU 82 CO 0.27 0.06 0.61 0.11 0.09 0.00 0.00 178.44 179.59 2yrs h LYS 83 N 0.12 0.71 0.00 1.13 1.57 -1.90 -0.47 116.57 117.73 2yrs h LYS 83 Ca 0.04 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2yrs h LYS 83 Cb 0.01 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.17 2yrs h LYS 83 CO -0.03 0.47 -0.64 0.78 -0.57 0.00 0.00 179.45 179.46 2yrs h GLY 84 N 0.73 0.48 1.12 3.86 0.00 -1.86 -2.80 103.07 104.59 2yrs h GLY 84 Ca 0.54 -0.84 0.03 0.00 0.00 0.00 0.00 47.33 47.06 2yrs h GLY 84 CO -0.32 0.74 0.54 -0.84 0.00 0.00 0.00 176.54 176.66 2yrs h THR 85 N -0.08 1.16 -0.54 4.70 2.02 -0.44 -3.26 112.91 116.47 2yrs h THR 85 Ca -0.08 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2yrs h THR 85 Cb 1.35 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2yrs h THR 85 CO 0.13 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.70 2yrs n PHE 86 N -4.44 0.75 0.02 3.16 3.72 -0.25 -4.63 117.46 115.79 2yrs n PHE 86 Ca 0.10 -0.51 -0.11 0.00 -0.05 0.00 0.00 57.45 56.89 2yrs n PHE 86 Cb 0.09 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 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 3.15 0.01 -0.44 4.37 0.00 -1.54 0.34 119.26 125.16 2yrs h ALA 87 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2yrs h ALA 87 Cb 0.89 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2yrs h ALA 87 CO 0.01 -0.52 -0.23 1.15 0.00 0.00 0.00 179.25 179.66 2yrs h THR 88 N -0.05 1.27 -0.03 0.00 2.02 -1.85 -2.39 112.91 111.89 2yrs h THR 88 Ca 0.04 -1.39 -0.10 0.00 0.77 0.00 0.00 66.41 65.74 2yrs h THR 88 Cb 0.11 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2yrs h THR 88 CO -0.09 0.47 -0.44 -0.07 0.37 0.00 0.00 175.52 175.76 2yrs h LEU 89 N 0.79 0.07 0.25 2.58 3.38 -1.82 -1.88 115.31 118.68 2yrs h LEU 89 Ca 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2yrs h LEU 89 Cb 0.79 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2yrs h LEU 89 CO 0.07 0.50 -0.12 -1.28 0.09 0.00 0.00 178.44 177.69 2yrs h SER 90 N 0.05 -0.28 0.05 -0.43 0.87 0.10 0.23 113.55 114.14 2yrs h SER 90 Ca 0.00 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 2yrs h SER 90 Cb 0.80 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 2yrs h SER 90 CO 0.06 0.04 -0.10 -0.33 -0.53 0.00 0.00 176.83 175.97 2yrs h GLU 91 N -0.63 0.14 -0.48 2.24 5.08 -1.51 -1.11 114.58 118.31 2yrs h GLU 91 Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2yrs h GLU 91 Cb 0.45 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2yrs h GLU 91 CO 0.06 0.25 0.23 1.25 -1.00 0.00 0.00 179.01 179.79 2yrs h LEU 92 N 0.13 0.63 -0.96 1.33 5.85 -1.21 0.24 115.31 121.32 2yrs h LEU 92 Ca 0.03 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2yrs h LEU 92 Cb 0.27 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2yrs h LEU 92 CO 0.02 0.59 -0.06 0.45 -0.34 0.00 0.00 178.44 179.10 2yrs h HIS 93 N 0.64 0.74 0.00 1.25 3.86 -0.08 -0.67 115.15 120.89 2yrs h HIS 93 Ca 0.17 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2yrs h HIS 93 Cb 0.12 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2yrs h HIS 93 CO -0.01 0.73 -0.06 0.00 0.86 0.00 0.00 177.93 179.45 2yrs h ASP 95 N -0.98 0.75 0.01 0.00 3.32 -0.67 -2.85 116.42 116.00 2yrs h ASP 95 Ca 0.00 -0.56 -0.35 0.00 0.02 0.00 0.00 57.03 56.14 2yrs h ASP 95 Cb 0.06 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 2yrs h ASP 95 CO 0.00 1.17 -1.91 0.29 -1.72 0.00 0.00 179.24 177.07 2yrs n LYS 96 N -4.19 0.60 0.09 3.56 4.76 -1.00 -4.60 118.16 117.38 2yrs n LYS 96 Ca -0.06 0.40 0.12 0.00 -2.87 0.00 0.00 58.31 55.90 2yrs n LYS 96 Cb 0.57 -1.63 0.15 0.00 -1.84 0.00 0.00 35.03 32.28 2yrs n LYS 96 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2yrs h LEU 97 N -0.83 0.00 -1.82 -0.35 3.38 -1.18 -3.49 115.31 111.02 2yrs h LEU 97 Ca -0.51 -0.13 -0.53 0.00 0.09 0.00 0.00 57.88 56.79 2yrs h LEU 97 Cb 1.53 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.18 2yrs h LEU 97 CO -0.26 0.07 -0.90 1.41 0.09 0.00 0.00 178.44 178.85 2yrs n HIS 98 N -2.33 -1.58 -3.00 1.13 8.25 -0.28 -4.93 115.22 112.48 2yrs n HIS 98 Ca 0.03 0.73 -0.42 0.00 -0.26 0.00 0.00 57.72 57.80 2yrs n HIS 98 Cb 0.47 -3.43 -0.05 0.00 1.12 0.00 0.00 29.99 28.10 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 -3.94 4.80 -0.32 1.59 1.01 -0.16 -5.01 120.40 118.37 2yrs s VAL 99 Ca 0.12 0.92 -0.42 0.00 0.00 0.00 0.00 61.98 62.60 2yrs s VAL 99 Cb -0.06 -4.14 -0.17 0.00 0.00 0.00 0.00 36.38 32.00 2yrs s VAL 99 CO 0.92 -0.32 1.68 -0.67 0.00 0.00 0.00 175.10 176.71 2yrs n ASP 100 N 6.22 2.00 0.12 3.32 -0.08 -1.26 -4.71 116.55 122.16 2yrs n ASP 100 Ca 0.02 1.11 0.10 0.00 -1.51 0.00 0.00 54.79 54.51 2yrs n ASP 100 Cb 0.48 -1.07 0.46 0.00 2.34 0.00 0.00 41.12 43.34 2yrs n ASP 100 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2yrs n PRO 101 N 4.83 0.13 -0.30 -0.67 -0.05 -1.26 -0.55 135.00 137.13 2yrs n PRO 101 Ca 0.27 0.51 0.11 0.00 -0.05 0.00 0.00 63.50 64.35 2yrs n PRO 101 Cb 0.08 -1.84 0.34 0.00 -0.05 0.00 0.00 33.50 32.03 2yrs n PRO 101 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 2yrs h GLU 102 N 0.00 0.75 -0.35 0.54 4.57 -1.97 0.12 114.58 118.24 2yrs h GLU 102 Ca 0.00 -0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.24 2yrs h GLU 102 Cb 0.15 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2yrs h GLU 102 CO 0.00 0.50 0.31 -0.91 -1.18 0.00 0.00 179.01 177.72 2yrs h ASN 103 N 0.77 0.00 0.43 1.04 4.21 -1.19 -1.65 115.58 119.19 2yrs h ASN 103 Ca 0.47 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.80 2yrs h ASN 103 Cb 0.68 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2yrs h ASN 103 CO -0.23 0.00 -0.75 -0.26 -1.29 0.00 0.00 177.43 174.89 2yrs h PHE 104 N 0.00 0.36 -0.69 1.19 0.04 -1.14 -2.40 116.94 114.31 2yrs h PHE 104 Ca 0.17 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2yrs h PHE 104 Cb 0.78 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 2yrs h PHE 104 CO 0.00 0.92 0.19 0.00 -0.60 0.00 0.00 178.31 178.82 2yrs h ARG 105 N 0.17 1.08 -0.46 1.51 3.08 -1.28 -1.39 114.38 117.09 2yrs h ARG 105 Ca -0.03 -0.25 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 2yrs h ARG 105 Cb 1.32 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2yrs h ARG 105 CO 0.12 0.95 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.66 2yrs h LEU 106 N 1.02 0.98 -0.65 3.04 3.38 -1.28 -2.29 115.31 119.51 2yrs h LEU 106 Ca 0.22 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 2yrs h LEU 106 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2yrs h LEU 106 CO -0.00 1.17 -0.37 0.25 0.09 0.00 0.00 178.44 179.58 2yrs h LEU 107 N 0.82 0.68 -0.69 1.67 5.85 -1.37 -0.05 115.31 122.22 2yrs h LEU 107 Ca 0.10 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2yrs h LEU 107 Cb 0.81 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 2yrs h LEU 107 CO 0.07 0.98 0.43 1.23 -0.34 0.00 0.00 178.44 180.81 2yrs h GLY 108 N 1.00 1.00 1.09 3.75 0.00 -0.77 0.49 103.07 109.63 2yrs h GLY 108 Ca 0.05 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 2yrs h GLY 108 CO 0.08 0.27 -0.52 3.43 0.00 0.00 0.00 176.54 179.79 2yrs h ASN 109 N 0.84 0.89 -0.35 0.19 2.35 -0.90 -1.00 115.58 117.61 2yrs h ASN 109 Ca 0.28 -0.55 0.01 0.00 -0.55 0.00 0.00 56.30 55.49 2yrs h ASN 109 Cb 0.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 2yrs h ASN 109 CO -0.11 1.28 0.23 0.58 -1.65 0.00 0.00 177.43 177.75 2yrs h VAL 110 N 0.55 1.08 -0.77 2.81 2.07 -0.90 -0.83 116.25 120.27 2yrs h VAL 110 Ca 0.01 -0.16 0.13 0.00 0.82 0.00 0.00 66.70 67.49 2yrs h VAL 110 Cb 1.14 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 2yrs h VAL 110 CO 0.12 0.09 0.35 0.25 0.02 0.00 0.00 177.57 178.39 2yrs h LEU 111 N 0.47 0.40 -0.65 2.57 5.85 0.30 0.64 115.31 124.88 2yrs h LEU 111 Ca 0.13 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 2yrs h LEU 111 Cb -0.05 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2yrs h LEU 111 CO -0.03 0.18 0.22 0.58 -0.34 0.00 0.00 178.44 179.04 2yrs h VAL 112 N 0.54 1.25 -0.88 1.05 2.07 -0.75 -1.13 116.25 118.39 2yrs h VAL 112 Ca 0.41 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 67.11 2yrs h VAL 112 Cb 0.56 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2yrs h VAL 112 CO -0.35 0.32 0.58 0.00 0.02 0.00 0.00 177.57 178.14 2yrs h VAL 114 N 1.15 1.28 -0.83 0.00 2.07 -0.18 -0.36 116.25 119.39 2yrs h VAL 114 Ca 0.33 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2yrs h VAL 114 Cb -0.08 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2yrs h VAL 114 CO -0.09 0.44 0.46 -0.07 0.02 0.00 0.00 177.57 178.33 2yrs h LEU 115 N 0.66 1.03 -0.85 2.57 3.38 -1.12 0.14 115.31 121.11 2yrs h LEU 115 Ca 0.09 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2yrs h LEU 115 Cb 0.74 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2yrs h LEU 115 CO 0.06 0.82 0.24 0.00 0.09 0.00 0.00 178.44 179.65 2yrs h ALA 116 N 1.35 1.07 -0.24 1.53 0.00 -0.79 0.20 119.26 122.38 2yrs h ALA 116 Ca 0.29 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2yrs h ALA 116 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2yrs h ALA 116 CO -0.05 0.64 -0.13 1.25 0.00 0.00 0.00 179.25 180.96 2yrs h HIS 117 N 1.06 0.59 0.00 0.00 -0.00 -0.18 -0.89 115.15 115.73 2yrs h HIS 117 Ca 0.24 -0.15 -0.11 0.00 -0.00 0.00 0.00 60.37 60.34 2yrs h HIS 117 Cb 0.27 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 2yrs h HIS 117 CO 0.02 0.79 -0.53 0.45 -0.00 0.00 0.00 177.93 178.66 2yrs h HIS 118 N 0.23 0.00 -0.00 5.26 -0.00 -0.51 -3.32 115.15 116.81 2yrs h HIS 118 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2yrs h HIS 118 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 2yrs h HIS 118 CO 0.06 0.53 -0.53 1.19 -0.00 0.00 0.00 177.93 179.19 2yrs n PHE 119 N -3.54 0.00 -0.34 2.45 3.72 0.66 -5.05 117.46 115.37 2yrs n PHE 119 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2yrs n PHE 119 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 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 1.24 2.57 0.32 1.37 0.00 -0.34 -1.87 105.19 108.49 2yrs n GLY 120 Ca 0.04 -0.09 0.20 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.97 1.61 116.57 119.93 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 1.04 -2.00 0.00 0.00 179.45 178.49 2yrs n GLN 122 N -3.36 0.06 -2.43 0.07 6.02 -0.78 -3.14 117.38 113.83 2yrs n GLN 122 Ca -0.03 0.46 -0.41 0.00 -0.01 0.00 0.00 57.00 57.01 2yrs n GLN 122 Cb 0.08 -1.65 0.01 0.00 1.02 0.00 0.00 30.24 29.69 2yrs n GLN 122 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2yrs n PHE 123 N -1.77 2.64 -0.78 1.08 7.35 0.55 -4.95 117.46 121.58 2yrs n PHE 123 Ca 0.01 -2.68 -0.31 0.00 -0.76 0.00 0.00 57.45 53.71 2yrs n PHE 123 Cb 0.08 -1.53 0.16 0.00 0.35 0.00 0.00 39.48 38.54 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 -2.35 2.25 0.22 -2.13 -4.23 -1.19 -4.67 115.64 103.56 2yrs s THR 124 Ca 0.43 0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 2yrs s THR 124 Cb 0.15 -2.18 0.19 0.00 1.34 0.00 0.00 72.50 72.01 2yrs s THR 124 CO -0.06 -0.11 1.70 -0.65 -0.54 0.00 0.00 174.62 174.96 2yrs h PRO 125 N -1.80 0.25 0.00 3.99 0.11 -1.94 -1.12 132.00 131.50 2yrs h PRO 125 Ca -0.44 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2yrs h PRO 125 Cb 1.27 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2yrs h PRO 125 CO 0.43 0.16 -0.24 -1.35 -0.21 0.00 0.00 178.00 176.80 2yrs h PRO 126 N 0.26 0.00 -0.22 1.05 0.11 -1.99 0.11 132.00 131.32 2yrs h PRO 126 Ca 0.35 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.34 2yrs h PRO 126 Cb 0.55 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 2yrs h PRO 126 CO -0.45 0.24 -0.33 0.28 -0.21 0.00 0.00 178.00 177.52 2yrs h VAL 127 N 0.00 1.32 -0.54 3.15 2.07 -1.76 -2.58 116.25 117.91 2yrs h VAL 127 Ca -0.00 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 65.93 2yrs h VAL 127 Cb 0.53 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2yrs h VAL 127 CO 0.03 0.48 0.17 -0.61 0.02 0.00 0.00 177.57 177.66 2yrs h GLN 128 N 0.30 0.83 -0.76 1.57 4.15 -0.83 0.12 115.11 120.49 2yrs h GLN 128 Ca 0.02 -0.18 0.12 0.00 0.77 0.00 0.00 58.65 59.38 2yrs h GLN 128 Cb 0.92 -0.12 -0.08 0.00 0.21 0.00 0.00 27.48 28.41 2yrs h GLN 128 CO 0.08 0.76 0.36 0.00 -1.93 0.00 0.00 178.83 178.11 2yrs h ALA 129 N 1.03 1.07 -0.03 3.38 0.00 -0.75 0.10 119.26 124.06 2yrs h ALA 129 Ca 0.17 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 2yrs h ALA 129 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2yrs h ALA 129 CO -0.01 -0.09 -0.84 0.00 0.00 0.00 0.00 179.25 178.31 2yrs h ALA 130 N 1.49 0.48 -0.17 0.00 0.00 -1.12 -2.32 119.26 117.62 2yrs h ALA 130 Ca 0.39 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2yrs h ALA 130 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2yrs h ALA 130 CO -0.32 0.81 -0.15 1.88 0.00 0.00 0.00 179.25 181.46 2yrs h TYR 131 N 0.23 0.30 -0.30 0.00 0.05 0.66 -2.36 116.97 115.55 2yrs h TYR 131 Ca -0.05 -0.04 -0.17 0.00 0.05 0.00 0.00 58.73 58.52 2yrs h TYR 131 Cb 1.45 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 39.11 2yrs h TYR 131 CO 0.05 0.43 -0.49 1.96 -1.05 0.00 0.00 178.16 179.06 2yrs h GLN 132 N 0.27 0.82 -0.06 4.88 1.08 -0.48 0.85 115.11 122.48 2yrs h GLN 132 Ca 0.05 -0.49 0.04 0.00 -1.45 0.00 0.00 58.65 56.80 2yrs h GLN 132 Cb 0.44 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.86 2yrs h GLN 132 CO 0.03 1.12 -0.28 0.87 -0.95 0.00 0.00 178.83 179.61 2yrs h LYS 133 N 0.65 -0.38 0.12 1.46 1.57 -1.42 -1.73 116.57 116.85 2yrs h LYS 133 Ca 0.03 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2yrs h LYS 133 Cb 1.08 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 2yrs h LYS 133 CO 0.11 -0.25 -0.16 0.28 -0.57 0.00 0.00 179.45 178.85 2yrs h VAL 134 N -0.40 0.63 -0.66 0.50 2.07 -1.16 -0.22 116.25 117.02 2yrs h VAL 134 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 2yrs h VAL 134 Cb 0.51 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2yrs h VAL 134 CO -0.28 0.00 0.16 1.62 0.02 0.00 0.00 177.57 179.08 2yrs h VAL 135 N -0.33 1.25 -0.81 2.57 3.04 -0.87 0.30 116.25 121.40 2yrs h VAL 135 Ca 0.02 -0.93 -0.01 0.00 -1.01 0.00 0.00 66.70 64.76 2yrs h VAL 135 Cb 0.34 0.58 -0.04 0.00 -2.01 0.00 0.00 31.29 30.16 2yrs h VAL 135 CO -0.07 0.35 0.45 0.00 -1.01 0.00 0.00 177.57 177.29 2yrs h ALA 136 N 1.18 1.03 -0.24 3.17 0.00 -1.18 -1.33 119.26 121.89 2yrs h ALA 136 Ca 0.21 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2yrs h ALA 136 Cb 0.35 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2yrs h ALA 136 CO 0.00 0.53 -0.22 0.78 0.00 0.00 0.00 179.25 180.34 2yrs h GLY 137 N 1.12 0.63 0.88 0.00 0.00 -0.01 -0.62 103.07 105.06 2yrs h GLY 137 Ca 0.28 -0.64 0.04 0.00 0.00 0.00 0.00 47.33 47.02 2yrs h GLY 137 CO -0.05 0.58 0.66 -2.08 0.00 0.00 0.00 176.54 175.65 2yrs h VAL 138 N 0.29 1.17 -0.03 4.60 2.07 -0.40 0.41 116.25 124.35 2yrs h VAL 138 Ca 0.04 -0.43 -0.24 0.00 0.82 0.00 0.00 66.70 66.89 2yrs h VAL 138 Cb 0.78 -0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2yrs h VAL 138 CO 0.06 0.23 -0.93 0.00 0.02 0.00 0.00 177.57 176.94 2yrs h ALA 139 N 1.42 0.29 -0.84 1.67 0.00 -0.93 -1.19 119.26 119.67 2yrs h ALA 139 Ca 0.40 -0.68 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2yrs h ALA 139 Cb 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2yrs h ALA 139 CO -0.13 0.74 0.55 -0.91 0.00 0.00 0.00 179.25 179.51 2yrs h ASN 140 N 0.35 0.95 -0.44 0.00 2.35 -1.04 -2.05 115.58 115.70 2yrs h ASN 140 Ca -0.09 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 2yrs h ASN 140 Cb 1.57 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 2yrs h ASN 140 CO 0.18 0.68 -0.11 0.00 -1.65 0.00 0.00 177.43 176.53 2yrs h ALA 141 N 1.32 0.60 0.00 -0.83 0.00 -0.66 -2.01 119.26 117.69 2yrs h ALA 141 Ca 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2yrs h ALA 141 Cb -0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2yrs h ALA 141 CO -0.08 0.49 -0.03 -0.07 0.00 0.00 0.00 179.25 179.56 2yrs h LEU 142 N 0.68 0.00 -0.24 0.00 3.38 -1.21 -2.89 115.31 115.02 2yrs h LEU 142 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2yrs h LEU 142 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2yrs h LEU 142 CO 0.04 0.03 -0.54 0.00 0.09 0.00 0.00 178.44 178.06 2yrs n ALA 143 N -2.28 3.69 0.10 1.53 0.00 -0.77 -4.41 120.51 118.36 2yrs n ALA 143 Ca -0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 53.44 52.92 2yrs n ALA 143 Cb 0.12 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 18.62 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 0.58 0.13 0.00 0.00 2.07 -1.19 -2.16 115.15 114.58 2yrs h HIS 144 Ca 0.00 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 2yrs h HIS 144 Cb 0.53 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.49 2yrs h HIS 144 CO 0.00 0.81 0.00 1.63 -3.07 0.00 0.00 177.93 177.30 2yrs n LYS 145 N -3.69 0.94 -1.97 5.12 4.76 -1.26 -4.88 118.16 117.16 2yrs n LYS 145 Ca -0.02 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.03 2yrs n LYS 145 Cb 0.73 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 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 -2.00 2.70 0.00 2.13 1.51 -0.81 -4.70 117.35 116.18 2yrs s TYR 146 Ca 0.32 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.74 2yrs s TYR 146 Cb 0.15 -3.75 0.00 0.00 -0.11 0.00 0.00 41.96 38.25 2yrs s TYR 146 CO 0.24 -2.35 0.00 -2.39 -1.11 0.00 0.00 175.55 169.94