#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 3.84 -0.26 1.45 3.76 -1.26 -4.85 115.29 117.96 2yrs s HIS 3 Ca 0.00 -2.34 -0.08 0.00 -0.15 0.00 0.00 55.06 52.49 2yrs s HIS 3 Cb 0.00 -3.69 -0.03 0.00 1.11 0.00 0.00 32.58 29.97 2yrs s HIS 3 CO 0.00 -0.94 0.10 -0.51 -0.85 0.00 0.00 174.74 172.54 2yrs s LEU 4 N -0.31 3.62 1.02 0.89 1.43 -1.26 -5.08 118.68 118.98 2yrs s LEU 4 Ca 0.21 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 2yrs s LEU 4 Cb -0.11 -1.98 0.11 0.00 0.03 0.00 0.00 46.19 44.24 2yrs s LEU 4 CO -0.08 -0.05 0.51 0.35 0.23 0.00 0.00 176.35 177.31 2yrs n THR 5 N 4.96 0.00 0.16 5.49 -2.24 -1.26 -4.67 114.28 116.72 2yrs n THR 5 Ca -0.15 -0.22 0.02 0.00 -2.27 0.00 0.00 64.05 61.42 2yrs n THR 5 Cb 0.51 -0.73 0.27 0.00 -2.10 0.00 0.00 70.33 68.29 2yrs n THR 5 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2yrs h PRO 6 N -1.90 0.00 0.25 -0.78 0.11 -1.99 -1.54 132.00 126.15 2yrs h PRO 6 Ca -0.48 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2yrs h PRO 6 Cb 1.31 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 2yrs h PRO 6 CO 0.38 0.49 -0.38 1.49 -0.21 0.00 0.00 178.00 179.77 2yrs h GLU 7 N 0.00 -0.67 -0.84 1.05 4.22 -2.00 -1.67 114.58 114.67 2yrs h GLU 7 Ca -0.00 0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.50 2yrs h GLU 7 Cb 0.92 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 2yrs h GLU 7 CO 0.06 -0.45 0.55 0.93 -2.18 0.00 0.00 179.01 177.93 2yrs h GLU 8 N -0.70 1.07 -0.15 1.92 5.08 -1.72 -0.86 114.58 119.22 2yrs h GLU 8 Ca -0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2yrs h GLU 8 Cb 0.67 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2yrs h GLU 8 CO -0.14 0.71 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.32 2yrs h LYS 9 N 1.11 0.00 -0.53 2.33 1.63 -1.27 -0.57 116.57 119.26 2yrs h LYS 9 Ca 0.32 -0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.02 2yrs h LYS 9 Cb -0.08 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2yrs h LYS 9 CO -0.09 0.00 -0.05 0.66 -3.45 0.00 0.00 179.45 176.53 2yrs h SER 10 N 0.00 0.93 -0.57 4.20 4.64 -0.59 -2.08 113.55 120.07 2yrs h SER 10 Ca 0.07 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 2yrs h SER 10 Cb 0.11 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 2yrs h SER 10 CO -0.16 1.01 0.19 0.00 -0.87 0.00 0.00 176.83 177.00 2yrs h ALA 11 N 1.08 0.74 0.38 5.18 0.00 -0.81 -1.37 119.26 124.46 2yrs h ALA 11 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2yrs h ALA 11 Cb 0.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2yrs h ALA 11 CO 0.03 0.40 -0.18 0.28 0.00 0.00 0.00 179.25 179.78 2yrs h VAL 12 N 0.80 0.61 -0.56 0.00 2.07 -0.96 -2.09 116.25 116.11 2yrs h VAL 12 Ca 0.18 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 67.42 2yrs h VAL 12 Cb 0.27 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 2yrs h VAL 12 CO -0.01 0.07 -0.06 0.74 0.02 0.00 0.00 177.57 178.33 2yrs h THR 13 N -0.75 0.49 -0.20 2.57 2.02 -1.41 -0.60 112.91 115.03 2yrs h THR 13 Ca -0.05 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2yrs h THR 13 Cb 0.51 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2yrs h THR 13 CO 0.09 0.01 0.06 0.00 0.37 0.00 0.00 175.52 176.05 2yrs h ALA 14 N 1.54 0.26 -0.39 6.16 0.00 -1.07 -1.82 119.26 123.94 2yrs h ALA 14 Ca 0.28 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2yrs h ALA 14 Cb 0.44 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2yrs h ALA 14 CO -0.53 -0.11 0.20 1.25 0.00 0.00 0.00 179.25 180.07 2yrs h LEU 15 N 0.15 0.30 -1.39 0.00 7.12 -1.23 -2.65 115.31 117.61 2yrs h LEU 15 Ca 0.06 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 58.03 2yrs h LEU 15 Cb 0.24 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 2yrs h LEU 15 CO -0.00 0.22 -0.29 -0.25 -0.13 0.00 0.00 178.44 177.99 2yrs h TRP 16 N 0.41 0.02 0.00 1.25 2.91 -0.62 -0.32 115.95 119.61 2yrs h TRP 16 Ca 0.16 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 2yrs h TRP 16 Cb 0.06 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.70 2yrs h TRP 16 CO -0.09 0.31 -0.04 0.78 -1.03 0.00 0.00 178.44 178.37 2yrs h GLY 17 N 0.89 0.00 0.95 2.65 0.00 -0.97 -0.81 103.07 105.79 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 0.04 0.00 -0.09 0.28 0.00 0.00 0.00 176.54 176.77 2yrs n LYS 18 N -3.79 0.70 -3.08 4.80 5.02 -0.14 -4.94 118.16 116.73 2yrs n LYS 18 Ca -0.03 -0.21 -0.39 0.00 -2.02 0.00 0.00 58.31 55.66 2yrs n LYS 18 Cb 0.13 -1.50 -0.05 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 -2.45 4.91 -0.50 -0.18 1.01 -0.31 -5.00 120.40 117.87 2yrs s VAL 19 Ca 0.30 1.43 -0.20 0.00 0.00 0.00 0.00 61.98 63.51 2yrs s VAL 19 Cb 0.20 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.61 2yrs s VAL 19 CO 0.46 0.34 0.65 0.21 0.00 0.00 0.00 175.10 176.77 2yrs s ASN 20 N 0.21 6.24 0.13 3.32 3.84 -1.26 -4.91 114.94 122.51 2yrs s ASN 20 Ca 0.36 -0.80 -0.12 0.00 0.21 0.00 0.00 52.86 52.51 2yrs s ASN 20 Cb -0.19 -2.31 -0.06 0.00 -0.55 0.00 0.00 41.25 38.15 2yrs s ASN 20 CO 0.19 -0.91 1.45 0.58 -2.79 0.00 0.00 177.10 175.63 2yrs h VAL 21 N 5.88 1.28 -0.27 -5.21 2.07 -1.94 0.71 116.25 118.77 2yrs h VAL 21 Ca -0.27 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 65.75 2yrs h VAL 21 Cb 1.09 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 2yrs h VAL 21 CO 0.97 0.51 -0.31 0.44 0.02 0.00 0.00 177.57 179.19 2yrs h ASP 22 N 0.67 -1.06 0.49 0.57 5.19 -1.91 0.31 116.42 120.67 2yrs h ASP 22 Ca 0.05 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 2yrs h ASP 22 Cb 0.95 0.44 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 2yrs h ASP 22 CO 0.09 -0.21 -0.40 -0.08 -3.12 0.00 0.00 179.24 175.52 2yrs h GLU 23 N -0.20 -0.83 -0.73 3.56 4.81 -1.85 -1.86 114.58 117.49 2yrs h GLU 23 Ca 0.05 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2yrs h GLU 23 Cb 0.32 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2yrs h GLU 23 CO -0.36 -0.55 0.44 0.28 -0.73 0.00 0.00 179.01 178.10 2yrs h VAL 24 N -0.86 1.05 -0.43 0.32 2.07 0.45 -1.72 116.25 117.13 2yrs h VAL 24 Ca -0.06 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2yrs h VAL 24 Cb 0.72 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2yrs h VAL 24 CO -0.00 0.15 0.23 1.23 0.02 0.00 0.00 177.57 179.20 2yrs h GLY 25 N 0.84 0.65 1.04 2.17 0.00 -0.31 0.28 103.07 107.73 2yrs h GLY 25 Ca 0.31 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 2yrs h GLY 25 CO -0.14 0.29 -0.01 -1.33 0.00 0.00 0.00 176.54 175.34 2yrs h GLY 26 N 0.56 1.02 0.95 4.60 0.00 -0.58 -1.16 103.07 108.46 2yrs h GLY 26 Ca 0.15 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 2yrs h GLY 26 CO -0.02 0.70 0.03 0.83 0.00 0.00 0.00 176.54 178.08 2yrs h GLU 27 N 0.82 0.70 0.05 4.80 4.39 -0.88 -1.08 114.58 123.38 2yrs h GLU 27 Ca 0.15 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2yrs h GLU 27 Cb 0.55 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2yrs h GLU 27 CO 0.03 0.76 -0.02 0.00 -1.16 0.00 0.00 179.01 178.62 2yrs h ALA 28 N 0.91 -0.06 -0.95 3.43 0.00 -0.37 0.70 119.26 122.91 2yrs h ALA 28 Ca 0.12 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2yrs h ALA 28 Cb 0.43 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2yrs h ALA 28 CO 0.01 -0.43 0.62 1.25 0.00 0.00 0.00 179.25 180.71 2yrs h LEU 29 N -0.28 1.05 -0.36 0.00 5.85 -1.22 -0.95 115.31 119.40 2yrs h LEU 29 Ca -0.01 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 2yrs h LEU 29 Cb 0.26 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2yrs h LEU 29 CO 0.01 0.73 -0.28 1.23 -0.34 0.00 0.00 178.44 179.79 2yrs h GLY 30 N 1.22 0.89 0.99 3.75 0.00 -1.07 -2.28 103.07 106.58 2yrs h GLY 30 Ca 0.37 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2yrs h GLY 30 CO -0.11 0.79 0.18 3.21 0.00 0.00 0.00 176.54 180.61 2yrs h ARG 31 N 0.61 0.36 -0.89 4.80 3.08 -0.68 -2.13 114.38 119.54 2yrs h ARG 31 Ca 0.07 -0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.33 2yrs h ARG 31 Cb 0.85 -0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.67 2yrs h ARG 31 CO 0.07 0.24 0.09 1.25 -1.07 0.00 0.00 179.97 180.55 2yrs h LEU 32 N 0.38 -0.30 -0.41 3.04 5.85 -0.90 0.15 115.31 123.12 2yrs h LEU 32 Ca 0.10 0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 2yrs h LEU 32 Cb -0.04 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2yrs h LEU 32 CO -0.03 -0.25 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.32 2yrs h LEU 33 N 0.09 0.00 0.09 2.25 4.07 -0.82 -1.07 115.31 119.93 2yrs h LEU 33 Ca 0.53 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 58.13 2yrs h LEU 33 Cb 1.06 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.77 2yrs h LEU 33 CO -0.77 0.44 -2.07 0.52 -1.08 0.00 0.00 178.44 175.48 2yrs n VAL 34 N -3.34 1.71 0.11 1.22 0.31 -0.84 -3.78 118.33 113.72 2yrs n VAL 34 Ca 0.01 -0.61 -0.04 0.00 -0.01 0.00 0.00 64.34 63.69 2yrs n VAL 34 Cb 0.64 -1.69 0.06 0.00 -0.91 0.00 0.00 33.84 31.94 2yrs n VAL 34 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2yrs h VAL 35 N -0.00 1.53 -2.27 2.52 2.07 -0.76 -3.38 116.25 115.95 2yrs h VAL 35 Ca -0.46 -2.57 -0.58 0.00 0.82 0.00 0.00 66.70 63.91 2yrs h VAL 35 Cb 1.97 2.39 -0.39 0.00 -1.52 0.00 0.00 31.29 33.74 2yrs h VAL 35 CO 0.03 0.74 -0.95 -1.22 0.02 0.00 0.00 177.57 176.19 2yrs n TYR 36 N -3.65 0.23 0.32 1.57 4.01 -0.41 -4.96 117.16 114.27 2yrs n TYR 36 Ca -0.01 -3.61 0.20 0.00 -0.16 0.00 0.00 57.90 54.33 2yrs n TYR 36 Cb 0.74 -0.17 1.04 0.00 -0.31 0.00 0.00 39.34 40.64 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 4.78 0.00 0.00 -0.72 0.11 -1.75 -1.50 132.00 132.92 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 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2yrs h PRO 37 CO 0.49 0.01 0.00 0.11 -0.21 0.00 0.00 178.00 178.41 2yrs h TRP 38 N 0.00 0.00 0.00 0.65 0.09 -1.91 -0.26 115.95 114.52 2yrs h TRP 38 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.97 2yrs h TRP 38 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.39 2yrs h TRP 38 CO 0.00 0.00 -0.03 1.79 0.09 0.00 0.00 178.44 180.29 2yrs h THR 39 N 0.00 0.08 0.00 0.12 1.35 -1.58 -2.60 112.91 110.28 2yrs h THR 39 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2yrs h THR 39 Cb 0.39 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2yrs h THR 39 CO 0.00 0.03 0.35 1.56 -0.25 0.00 0.00 175.52 177.21 2yrs h GLN 40 N 0.00 0.00 0.00 4.72 4.20 -1.21 -3.10 115.11 119.71 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 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2yrs h GLN 40 CO 0.00 0.00 0.00 0.07 -0.67 0.00 0.00 178.83 178.24 2yrs h ARG 41 N 0.00 0.00 0.00 1.46 0.11 -1.67 -2.25 114.38 112.04 2yrs h ARG 41 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2yrs h ARG 41 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 2yrs h ARG 41 CO 0.00 0.00 -1.18 1.19 0.10 0.00 0.00 179.97 180.08 2yrs n PHE 42 N -2.44 0.27 -2.09 4.08 3.72 -1.17 -4.45 117.46 115.37 2yrs n PHE 42 Ca -0.02 0.08 -0.07 0.00 -0.05 0.00 0.00 57.45 57.39 2yrs n PHE 42 Cb 0.04 -0.46 0.08 0.00 -0.94 0.00 0.00 39.48 38.21 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 -2.04 1.30 -0.27 1.38 3.72 -0.85 -4.78 117.46 115.92 2yrs n PHE 43 Ca 0.01 -1.76 0.17 0.00 -0.05 0.00 0.00 57.45 55.82 2yrs n PHE 43 Cb 0.46 -0.27 0.46 0.00 -0.94 0.00 0.00 39.48 39.20 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 1.74 0.49 0.00 -1.08 4.39 -1.78 -1.86 114.58 116.48 2yrs h GLU 44 Ca 0.09 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 2yrs h GLU 44 Cb 1.38 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2yrs h GLU 44 CO 0.34 0.32 -0.18 0.66 -1.16 0.00 0.00 179.01 178.99 2yrs h SER 45 N 0.50 0.00 0.36 1.42 4.64 -1.94 -2.69 113.55 115.85 2yrs h SER 45 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2yrs h SER 45 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2yrs h SER 45 CO -0.22 0.18 0.00 0.49 -0.87 0.00 0.00 176.83 176.42 2yrs n PHE 46 N -3.36 0.00 -1.11 4.77 3.01 -0.70 -4.99 117.46 115.07 2yrs n PHE 46 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2yrs n PHE 46 Cb 0.40 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 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 0.09 0.75 3.60 1.37 0.00 -1.02 -4.85 105.19 105.14 2yrs n GLY 47 Ca 0.07 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 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 6.52 -0.20 1.61 2.15 -1.26 -4.86 116.67 116.64 2yrs s ASP 48 Ca 0.00 0.49 0.12 0.00 0.43 0.00 0.00 52.55 53.59 2yrs s ASP 48 Cb 0.00 -2.34 0.42 0.00 -0.30 0.00 0.00 42.92 40.71 2yrs s ASP 48 CO 0.00 -0.47 1.21 0.18 -0.17 0.00 0.00 175.17 175.92 2yrs n LEU 49 N 5.88 2.69 0.05 -1.34 4.77 -1.26 -4.43 117.00 123.36 2yrs n LEU 49 Ca -0.01 -3.81 0.12 0.00 -0.03 0.00 0.00 56.01 52.29 2yrs n LEU 49 Cb 0.49 -0.48 0.23 0.00 -2.33 0.00 0.00 43.42 41.32 2yrs n LEU 49 CO 0.46 1.38 0.44 -1.54 -1.33 0.00 0.00 177.39 176.79 2yrs n SER 50 N -0.98 0.64 -4.02 -1.43 3.41 -1.26 -4.79 113.62 105.19 2yrs n SER 50 Ca 0.19 0.12 -0.10 0.00 -0.26 0.00 0.00 58.87 58.82 2yrs n SER 50 Cb 0.74 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.64 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 -3.13 0.28 0.15 6.66 -4.23 -1.26 -5.06 115.64 109.06 2yrs s THR 51 Ca 0.08 -1.08 -0.28 0.00 -1.18 0.00 0.00 61.69 59.23 2yrs s THR 51 Cb 0.14 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 2yrs s THR 51 CO 0.70 -0.52 1.57 -0.65 -0.54 0.00 0.00 174.62 175.18 2yrs h PRO 52 N 4.41 -0.30 -0.69 3.99 0.11 -1.96 -1.68 132.00 135.88 2yrs h PRO 52 Ca -0.34 0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.92 2yrs h PRO 52 Cb 1.20 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.25 2yrs h PRO 52 CO 0.44 -0.20 -0.32 -0.44 -0.21 0.00 0.00 178.00 177.26 2yrs h ASP 53 N -0.32 -1.13 -0.54 -2.05 3.32 -1.98 0.45 116.42 114.18 2yrs h ASP 53 Ca 0.13 0.24 0.09 0.00 0.02 0.00 0.00 57.03 57.51 2yrs h ASP 53 Cb 0.58 0.59 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 2yrs h ASP 53 CO -0.61 -0.29 0.15 0.00 -1.72 0.00 0.00 179.24 176.77 2yrs h ALA 54 N 1.18 0.64 0.63 3.45 0.00 -1.81 0.17 119.26 123.53 2yrs h ALA 54 Ca 0.27 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2yrs h ALA 54 Cb 0.56 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2yrs h ALA 54 CO -0.75 -0.26 -0.30 0.28 0.00 0.00 0.00 179.25 178.22 2yrs h VAL 55 N 0.31 0.30 -0.10 0.00 2.07 -0.38 -0.08 116.25 118.38 2yrs h VAL 55 Ca 0.27 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 2yrs h VAL 55 Cb 0.34 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2yrs h VAL 55 CO -0.31 0.02 -0.10 0.24 0.02 0.00 0.00 177.57 177.44 2yrs h MET 56 N -1.00 0.14 0.00 1.57 2.07 0.13 -1.86 114.93 115.98 2yrs h MET 56 Ca -0.09 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.52 2yrs h MET 56 Cb 0.69 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.40 2yrs h MET 56 CO 0.14 0.26 -0.48 0.78 1.07 0.00 0.00 176.91 178.68 2yrs h GLY 57 N 0.57 0.00 -4.58 8.32 0.00 -0.67 -3.47 103.07 103.24 2yrs h GLY 57 Ca 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.83 2yrs h GLY 57 CO 0.02 0.00 0.83 0.21 0.00 0.00 0.00 176.54 177.60 2yrs s ASN 58 N -4.96 6.66 0.29 0.19 3.84 -0.04 -4.91 114.94 116.02 2yrs s ASN 58 Ca 0.06 2.53 0.22 0.00 0.21 0.00 0.00 52.86 55.87 2yrs s ASN 58 Cb 0.11 -2.59 0.13 0.00 -0.55 0.00 0.00 41.25 38.34 2yrs s ASN 58 CO 0.70 -0.77 1.28 1.55 -2.79 0.00 0.00 177.10 177.08 2yrs h PRO 59 N 6.78 0.00 -0.52 0.43 0.13 -1.89 -2.85 132.00 134.08 2yrs h PRO 59 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 2yrs h PRO 59 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2yrs h PRO 59 CO 0.90 0.05 0.09 0.87 -0.23 0.00 0.00 178.00 179.67 2yrs h LYS 60 N 0.00 0.86 -0.29 0.86 1.57 -1.91 -1.02 116.57 116.66 2yrs h LYS 60 Ca -0.01 -0.23 0.07 0.00 -1.87 0.00 0.00 60.65 58.60 2yrs h LYS 60 Cb 1.06 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.20 2yrs h LYS 60 CO 0.01 0.85 -0.16 0.28 -0.57 0.00 0.00 179.45 179.85 2yrs h VAL 61 N 0.75 0.53 -0.61 0.50 2.07 -1.88 0.42 116.25 118.03 2yrs h VAL 61 Ca 0.16 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 2yrs h VAL 61 Cb 0.40 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2yrs h VAL 61 CO 0.01 0.00 0.40 0.11 0.02 0.00 0.00 177.57 178.11 2yrs h LYS 62 N -0.13 0.79 -0.66 1.57 1.57 -1.27 0.93 116.57 119.37 2yrs h LYS 62 Ca 0.15 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2yrs h LYS 62 Cb 0.36 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2yrs h LYS 62 CO -0.36 0.52 0.16 0.00 -0.57 0.00 0.00 179.45 179.20 2yrs h ALA 63 N 1.23 0.87 -0.25 3.86 0.00 -0.81 -1.04 119.26 123.12 2yrs h ALA 63 Ca 0.23 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2yrs h ALA 63 Cb -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2yrs h ALA 63 CO -0.05 0.59 -0.32 1.25 0.00 0.00 0.00 179.25 180.72 2yrs h HIS 64 N 0.99 0.60 -0.53 0.00 -0.00 0.55 -1.85 115.15 114.91 2yrs h HIS 64 Ca 0.21 -0.15 -0.08 0.00 -0.00 0.00 0.00 60.37 60.35 2yrs h HIS 64 Cb 0.37 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 2yrs h HIS 64 CO 0.03 0.78 0.04 0.78 -0.00 0.00 0.00 177.93 179.56 2yrs h GLY 65 N 1.05 0.98 0.29 5.26 0.00 -0.66 0.48 103.07 110.48 2yrs h GLY 65 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.71 2yrs h GLY 65 CO 0.06 0.64 -0.38 1.70 0.00 0.00 0.00 176.54 178.56 2yrs h LYS 66 N 0.78 -0.56 -0.36 4.80 3.64 -1.06 -0.30 116.57 123.50 2yrs h LYS 66 Ca 0.15 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2yrs h LYS 66 Cb 0.48 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.35 2yrs h LYS 66 CO 0.02 -0.37 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.47 2yrs h LYS 67 N -0.58 -0.07 -0.37 1.90 3.64 -0.56 0.20 116.57 120.72 2yrs h LYS 67 Ca 0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2yrs h LYS 67 Cb 0.63 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2yrs h LYS 67 CO -0.25 -0.05 0.06 0.28 -2.27 0.00 0.00 179.45 177.23 2yrs h VAL 68 N -0.07 1.24 0.00 2.00 2.07 -0.77 -2.48 116.25 118.24 2yrs h VAL 68 Ca 0.18 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 2yrs h VAL 68 Cb 0.35 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2yrs h VAL 68 CO -0.41 0.29 -0.45 0.25 0.02 0.00 0.00 177.57 177.26 2yrs h LEU 69 N 0.46 0.00 -0.48 2.57 7.12 -0.89 -0.96 115.31 123.13 2yrs h LEU 69 Ca 0.11 0.00 0.02 0.00 0.13 0.00 0.00 57.88 58.15 2yrs h LEU 69 Cb 0.36 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 2yrs h LEU 69 CO 0.01 0.45 0.28 1.23 -0.13 0.00 0.00 178.44 180.28 2yrs h GLY 70 N 3.27 0.67 1.96 3.75 0.00 -0.36 0.69 103.07 113.05 2yrs h GLY 70 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 2yrs h GLY 70 CO 0.06 0.18 -0.57 0.00 0.00 0.00 0.00 176.54 176.21 2yrs h ALA 71 N 1.21 1.04 -0.36 3.60 0.00 -0.99 -2.27 119.26 121.49 2yrs h ALA 71 Ca 0.19 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2yrs h ALA 71 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2yrs h ALA 71 CO -0.09 0.71 0.15 0.35 0.00 0.00 0.00 179.25 180.37 2yrs h PHE 72 N 0.03 0.54 -0.12 0.00 3.04 -0.85 -2.74 116.94 116.85 2yrs h PHE 72 Ca -0.00 -0.04 0.03 0.00 3.98 0.00 0.00 57.97 61.94 2yrs h PHE 72 Cb 1.01 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 39.32 2yrs h PHE 72 CO 0.00 0.49 -0.10 0.77 -2.02 0.00 0.00 178.31 177.44 2yrs h SER 73 N 0.44 -0.33 -0.71 0.41 0.02 -0.56 -1.66 113.55 111.16 2yrs h SER 73 Ca 0.12 0.07 0.21 0.00 -0.84 0.00 0.00 61.79 61.35 2yrs h SER 73 Cb 0.17 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2yrs h SER 73 CO -0.01 -0.14 0.54 0.44 -1.14 0.00 0.00 176.83 176.51 2yrs h ASP 74 N -0.12 0.00 0.86 3.07 3.32 -1.26 -1.96 116.42 120.33 2yrs h ASP 74 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2yrs h ASP 74 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2yrs h ASP 74 CO -0.19 0.00 -0.61 0.61 -1.72 0.00 0.00 179.24 177.33 2yrs n GLY 75 N -1.66 -1.41 0.25 2.75 0.00 -0.64 -3.17 105.19 101.31 2yrs n GLY 75 Ca 0.14 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 46.00 2yrs n GLY 75 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yrs h LEU 76 N 0.00 0.00 -1.33 0.99 4.07 -1.21 -1.69 115.31 116.14 2yrs h LEU 76 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2yrs h LEU 76 Cb 0.73 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.47 2yrs h LEU 76 CO 0.00 0.14 -0.15 0.00 -1.08 0.00 0.00 178.44 177.34 2yrs h ALA 77 N 1.86 1.05 -1.39 1.53 0.00 -1.65 -3.31 119.26 117.35 2yrs h ALA 77 Ca -0.00 -0.14 -0.54 0.00 0.00 0.00 0.00 54.91 54.23 2yrs h ALA 77 Cb 0.29 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.64 2yrs h ALA 77 CO 0.02 0.19 -0.84 0.72 0.00 0.00 0.00 179.25 179.34 2yrs n HIS 78 N -3.35 2.90 0.22 0.00 8.25 -0.64 -4.81 115.22 117.79 2yrs n HIS 78 Ca -0.00 -3.03 0.09 0.00 -0.26 0.00 0.00 57.72 54.52 2yrs n HIS 78 Cb 0.37 -0.15 0.47 0.00 1.12 0.00 0.00 29.99 31.80 2yrs n HIS 78 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2yrs h LEU 79 N 2.67 0.00 -1.55 2.41 5.85 -1.64 -1.50 115.31 121.55 2yrs h LEU 79 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2yrs h LEU 79 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2yrs h LEU 79 CO 0.77 0.25 0.00 0.47 -0.34 0.00 0.00 178.44 179.59 2yrs n ASP 80 N -3.50 2.31 -2.86 1.25 8.00 -1.26 -3.34 116.55 117.14 2yrs n ASP 80 Ca -0.00 -1.86 -0.12 0.00 0.71 0.00 0.00 54.79 53.52 2yrs n ASP 80 Cb 0.41 -0.19 0.02 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.74 -2.05 -0.04 -2.24 5.15 -0.57 -4.72 115.26 111.53 2yrs n ASN 81 Ca 0.17 -3.20 -0.08 0.00 -0.60 0.00 0.00 54.58 50.87 2yrs n ASN 81 Cb 0.41 1.22 0.09 0.00 -0.53 0.00 0.00 39.78 40.97 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 3.87 0.70 -0.13 1.20 3.38 -1.71 -2.34 115.31 120.28 2yrs h LEU 82 Ca -0.09 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2yrs h LEU 82 Cb 1.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2yrs h LEU 82 CO 0.34 0.98 0.06 0.11 0.09 0.00 0.00 178.44 180.02 2yrs h LYS 83 N 0.57 0.20 -0.16 1.13 1.57 -1.90 0.59 116.57 118.56 2yrs h LYS 83 Ca 0.06 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2yrs h LYS 83 Cb 0.84 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2yrs h LYS 83 CO 0.07 0.29 -0.00 0.78 -0.57 0.00 0.00 179.45 180.01 2yrs h GLY 84 N 0.06 0.31 0.44 3.86 0.00 -1.96 -0.28 103.07 105.50 2yrs h GLY 84 Ca 0.04 -0.23 0.15 0.00 0.00 0.00 0.00 47.33 47.30 2yrs h GLY 84 CO -0.00 0.21 0.59 -0.84 0.00 0.00 0.00 176.54 176.49 2yrs h THR 85 N 0.03 0.81 -0.34 4.70 2.02 -1.33 -2.75 112.91 116.04 2yrs h THR 85 Ca 0.04 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2yrs h THR 85 Cb 0.38 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2yrs h THR 85 CO 0.01 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.52 2yrs n PHE 86 N -4.59 0.45 0.02 3.16 3.72 0.19 -4.58 117.46 115.84 2yrs n PHE 86 Ca 0.19 -0.35 -0.12 0.00 -0.05 0.00 0.00 57.45 57.12 2yrs n PHE 86 Cb 0.50 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.95 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 2.90 0.02 -0.83 4.37 0.00 -0.73 0.21 119.26 125.20 2yrs h ALA 87 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2yrs h ALA 87 Cb 0.77 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2yrs h ALA 87 CO 0.00 -0.44 0.53 1.15 0.00 0.00 0.00 179.25 180.49 2yrs h THR 88 N -0.05 1.22 -0.00 0.00 2.02 -1.81 -2.19 112.91 112.10 2yrs h THR 88 Ca 0.01 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.66 2yrs h THR 88 Cb 0.07 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 2yrs h THR 88 CO -0.00 0.22 -0.44 -0.07 0.37 0.00 0.00 175.52 175.59 2yrs h LEU 89 N 1.13 0.00 -0.33 2.58 3.38 -1.69 -1.69 115.31 118.69 2yrs h LEU 89 Ca 0.30 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2yrs h LEU 89 Cb -0.10 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2yrs h LEU 89 CO -0.06 0.45 0.06 -1.28 0.09 0.00 0.00 178.44 177.69 2yrs h SER 90 N 0.00 0.53 -0.50 -0.43 0.87 -0.15 0.26 113.55 114.13 2yrs h SER 90 Ca -0.00 -0.26 -0.11 0.00 -1.23 0.00 0.00 61.79 60.19 2yrs h SER 90 Cb 0.79 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 2yrs h SER 90 CO 0.06 0.65 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.56 2yrs h GLU 91 N 0.39 0.98 -0.25 2.24 5.08 -1.23 -0.41 114.58 121.37 2yrs h GLU 91 Ca 0.10 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2yrs h GLU 91 Cb 0.35 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2yrs h GLU 91 CO 0.01 1.05 -0.07 1.25 -1.00 0.00 0.00 179.01 180.25 2yrs h LEU 92 N 0.84 -0.24 -1.09 1.33 5.85 -1.09 0.47 115.31 121.38 2yrs h LEU 92 Ca 0.13 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 2yrs h LEU 92 Cb 0.69 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2yrs h LEU 92 CO 0.05 -0.09 -0.30 0.45 -0.34 0.00 0.00 178.44 178.21 2yrs h HIS 93 N -0.00 0.30 0.19 1.25 3.86 -0.01 0.11 115.15 120.84 2yrs h HIS 93 Ca 0.12 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2yrs h HIS 93 Cb 0.19 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2yrs h HIS 93 CO -0.26 0.54 -0.09 0.00 0.86 0.00 0.00 177.93 178.99 2yrs h ASP 95 N -1.06 0.06 0.00 0.00 3.32 -0.05 -3.06 116.42 115.64 2yrs h ASP 95 Ca -0.03 -0.05 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 2yrs h ASP 95 Cb 0.24 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2yrs h ASP 95 CO 0.04 0.85 -1.68 0.29 -1.72 0.00 0.00 179.24 177.03 2yrs n LYS 96 N -3.60 0.56 0.10 3.56 4.76 0.25 -4.69 118.16 119.10 2yrs n LYS 96 Ca -0.01 0.24 0.12 0.00 -2.87 0.00 0.00 58.31 55.79 2yrs n LYS 96 Cb 0.78 -1.46 0.25 0.00 -1.84 0.00 0.00 35.03 32.76 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 -1.00 0.00 -1.93 -0.35 3.38 -1.22 -3.48 115.31 110.72 2yrs h LEU 97 Ca -0.31 -0.08 -0.51 0.00 0.09 0.00 0.00 57.88 57.07 2yrs h LEU 97 Cb 1.27 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 2yrs h LEU 97 CO -0.19 0.04 -0.89 1.41 0.09 0.00 0.00 178.44 178.89 2yrs n HIS 98 N -2.35 -1.61 -3.26 1.13 8.25 -0.67 -4.95 115.22 111.76 2yrs n HIS 98 Ca 0.04 0.73 -0.40 0.00 -0.26 0.00 0.00 57.72 57.84 2yrs n HIS 98 Cb 0.46 -3.66 -0.08 0.00 1.12 0.00 0.00 29.99 27.83 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 -4.00 5.09 -0.16 1.59 1.01 -0.42 -5.00 120.40 118.50 2yrs s VAL 99 Ca 0.00 0.80 -0.34 0.00 0.00 0.00 0.00 61.98 62.44 2yrs s VAL 99 Cb -0.00 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 2yrs s VAL 99 CO 0.90 0.09 1.97 -0.67 0.00 0.00 0.00 175.10 177.39 2yrs n ASP 100 N 5.51 3.14 0.18 3.32 -0.08 -1.26 -4.74 116.55 122.62 2yrs n ASP 100 Ca -0.05 0.79 0.18 0.00 -1.51 0.00 0.00 54.79 54.20 2yrs n ASP 100 Cb 0.50 -1.36 0.81 0.00 2.34 0.00 0.00 41.12 43.41 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 10.38 0.00 -1.08 -0.67 0.11 -1.96 0.46 132.00 139.24 2yrs h PRO 101 Ca -0.44 0.00 0.36 0.00 0.11 0.00 0.00 66.00 66.04 2yrs h PRO 101 Cb 1.28 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.24 2yrs h PRO 101 CO 0.96 0.00 0.64 1.49 -0.21 0.00 0.00 178.00 180.88 2yrs h GLU 102 N 0.00 0.20 -0.74 1.05 4.57 -1.98 0.71 114.58 118.40 2yrs h GLU 102 Ca 0.12 -0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.44 2yrs h GLU 102 Cb 0.73 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.22 2yrs h GLU 102 CO -0.00 0.13 0.50 -0.91 -1.18 0.00 0.00 179.01 177.56 2yrs h ASN 103 N 0.21 0.34 0.04 1.04 4.21 -1.26 -0.78 115.58 119.37 2yrs h ASN 103 Ca 0.77 0.02 -0.16 0.00 1.21 0.00 0.00 56.30 58.14 2yrs h ASN 103 Cb 1.99 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 39.14 2yrs h ASN 103 CO -0.57 0.17 -0.55 -0.26 -1.29 0.00 0.00 177.43 174.92 2yrs h PHE 104 N 0.36 0.69 -0.48 1.19 0.04 -1.02 -0.59 116.94 117.13 2yrs h PHE 104 Ca 0.37 -0.25 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 2yrs h PHE 104 Cb 0.92 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 2yrs h PHE 104 CO -0.00 0.98 -0.06 0.00 -0.60 0.00 0.00 178.31 178.63 2yrs h ARG 105 N 0.42 0.88 -0.74 1.51 3.08 -1.16 -0.39 114.38 117.98 2yrs h ARG 105 Ca 0.01 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2yrs h ARG 105 Cb 1.10 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 2yrs h ARG 105 CO 0.10 0.95 0.47 -0.07 -1.07 0.00 0.00 179.97 180.35 2yrs h LEU 106 N 0.73 0.88 -0.57 3.04 3.38 -1.16 -1.75 115.31 119.85 2yrs h LEU 106 Ca 0.13 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2yrs h LEU 106 Cb 0.59 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2yrs h LEU 106 CO 0.04 0.66 0.10 0.25 0.09 0.00 0.00 178.44 179.57 2yrs h LEU 107 N 1.01 0.91 -0.83 1.67 5.85 -1.01 -1.46 115.31 121.46 2yrs h LEU 107 Ca 0.27 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.83 2yrs h LEU 107 Cb -0.07 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.64 2yrs h LEU 107 CO -0.05 0.94 0.46 1.23 -0.34 0.00 0.00 178.44 180.68 2yrs h GLY 108 N 0.85 1.29 1.25 3.75 0.00 -0.33 -0.50 103.07 109.39 2yrs h GLY 108 Ca 0.17 -0.30 -0.26 0.00 0.00 0.00 0.00 47.33 46.94 2yrs h GLY 108 CO 0.01 0.10 -1.02 3.43 0.00 0.00 0.00 176.54 179.06 2yrs h ASN 109 N 0.76 0.88 -0.66 0.19 2.35 -1.05 -1.58 115.58 116.47 2yrs h ASN 109 Ca 0.41 -0.70 0.07 0.00 -0.55 0.00 0.00 56.30 55.54 2yrs h ASN 109 Cb 0.42 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.46 2yrs h ASN 109 CO -0.27 1.50 0.34 0.58 -1.65 0.00 0.00 177.43 177.93 2yrs h VAL 110 N 0.39 0.91 -0.45 2.81 2.07 -1.06 -2.13 116.25 118.78 2yrs h VAL 110 Ca -0.12 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2yrs h VAL 110 Cb 1.67 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2yrs h VAL 110 CO 0.20 0.11 -0.05 0.25 0.02 0.00 0.00 177.57 178.10 2yrs h LEU 111 N 0.61 0.74 -0.68 2.57 5.85 -0.83 -0.27 115.31 123.30 2yrs h LEU 111 Ca 0.31 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2yrs h LEU 111 Cb 0.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2yrs h LEU 111 CO -0.22 0.84 0.43 0.58 -0.34 0.00 0.00 178.44 179.73 2yrs h VAL 112 N 0.71 1.19 -0.69 1.05 2.07 -0.80 -1.10 116.25 118.68 2yrs h VAL 112 Ca 0.13 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 2yrs h VAL 112 Cb 0.51 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2yrs h VAL 112 CO 0.03 0.19 0.22 0.00 0.02 0.00 0.00 177.57 178.03 2yrs h VAL 114 N 1.02 1.21 -0.46 0.00 2.07 -0.60 0.43 116.25 119.92 2yrs h VAL 114 Ca 0.23 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 2yrs h VAL 114 Cb 0.28 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2yrs h VAL 114 CO -0.01 0.24 -0.12 -0.07 0.02 0.00 0.00 177.57 177.63 2yrs h LEU 115 N 0.80 0.85 -0.20 2.57 3.38 -1.10 0.72 115.31 122.33 2yrs h LEU 115 Ca 0.20 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2yrs h LEU 115 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2yrs h LEU 115 CO -0.02 0.98 -0.11 0.00 0.09 0.00 0.00 178.44 179.37 2yrs h ALA 116 N 1.09 0.28 -0.01 1.53 0.00 -0.90 0.16 119.26 121.41 2yrs h ALA 116 Ca 0.12 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2yrs h ALA 116 Cb 0.63 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2yrs h ALA 116 CO 0.04 0.13 -0.54 1.25 0.00 0.00 0.00 179.25 180.13 2yrs h HIS 117 N 0.11 -1.58 -0.77 0.00 -0.00 -0.78 0.67 115.15 112.79 2yrs h HIS 117 Ca 0.04 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 2yrs h HIS 117 Cb 0.61 0.69 -0.05 0.00 -0.00 0.00 0.00 27.41 28.66 2yrs h HIS 117 CO 0.07 -0.57 0.49 1.25 -0.00 0.00 0.00 177.93 179.17 2yrs h HIS 118 N -0.67 0.92 0.00 5.26 6.17 -0.86 -3.27 115.15 122.70 2yrs h HIS 118 Ca 0.01 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.12 2yrs h HIS 118 Cb 0.72 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.34 2yrs h HIS 118 CO -0.52 0.53 -0.75 1.19 0.71 0.00 0.00 177.93 179.09 2yrs n PHE 119 N -4.61 0.07 -1.80 5.26 3.72 0.04 -5.04 117.46 115.10 2yrs n PHE 119 Ca 0.09 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2yrs n PHE 119 Cb 0.08 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 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 1.47 3.08 0.07 1.37 0.00 0.22 -2.23 105.19 109.17 2yrs n GLY 120 Ca 0.04 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.94 2yrs n GLY 120 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yrs n LYS 121 N 14.00 0.08 0.22 1.61 2.85 -1.26 -1.38 118.16 134.27 2yrs n LYS 121 Ca 0.00 0.45 0.07 0.00 -1.05 0.00 0.00 58.31 57.79 2yrs n LYS 121 Cb 0.00 -1.69 0.49 0.00 -0.65 0.00 0.00 35.03 33.18 2yrs n LYS 121 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 2yrs h GLN 122 N 0.00 0.00 -4.13 -1.58 4.20 -1.83 -3.31 115.11 108.46 2yrs h GLN 122 Ca 0.00 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.01 2yrs h GLN 122 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2yrs h GLN 122 CO 0.00 0.27 2.92 0.34 -0.67 0.00 0.00 178.83 181.69 2yrs n PHE 123 N -3.74 3.12 -1.80 2.96 7.35 -0.48 -4.88 117.46 119.98 2yrs n PHE 123 Ca -0.01 -2.68 -0.32 0.00 -0.76 0.00 0.00 57.45 53.68 2yrs n PHE 123 Cb 0.37 -2.34 0.04 0.00 0.35 0.00 0.00 39.48 37.90 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 3.67 3.66 0.27 -2.13 -4.23 -1.25 -4.74 115.64 110.90 2yrs s THR 124 Ca 0.50 0.71 -0.09 0.00 -1.18 0.00 0.00 61.69 61.62 2yrs s THR 124 Cb 0.14 -3.27 0.42 0.00 1.34 0.00 0.00 72.50 71.13 2yrs s THR 124 CO -0.04 -0.54 1.57 -0.65 -0.54 0.00 0.00 174.62 174.42 2yrs h PRO 125 N -0.04 -0.00 -0.43 3.99 0.11 -1.93 0.12 132.00 133.81 2yrs h PRO 125 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2yrs h PRO 125 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2yrs h PRO 125 CO 0.56 -0.00 0.04 -1.35 -0.21 0.00 0.00 178.00 177.04 2yrs h PRO 126 N -0.00 0.67 -0.37 1.05 0.11 -1.98 -0.94 132.00 130.55 2yrs h PRO 126 Ca 0.45 -0.15 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 2yrs h PRO 126 Cb 0.69 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2yrs h PRO 126 CO -0.98 0.67 -0.16 0.28 -0.21 0.00 0.00 178.00 177.59 2yrs h VAL 127 N 0.64 1.28 -0.09 3.15 2.07 -1.40 -2.14 116.25 119.76 2yrs h VAL 127 Ca 0.14 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.39 2yrs h VAL 127 Cb 0.35 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2yrs h VAL 127 CO 0.01 0.42 -0.34 -0.61 0.02 0.00 0.00 177.57 177.07 2yrs h GLN 128 N 0.55 -0.34 -0.78 1.57 4.15 -0.94 0.54 115.11 119.85 2yrs h GLN 128 Ca 0.08 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.70 2yrs h GLN 128 Cb 0.71 0.08 -0.14 0.00 0.21 0.00 0.00 27.48 28.33 2yrs h GLN 128 CO 0.05 -0.23 -0.08 0.00 -1.93 0.00 0.00 178.83 176.64 2yrs h ALA 129 N -0.72 0.70 -0.52 3.38 0.00 -1.12 0.51 119.26 121.49 2yrs h ALA 129 Ca 0.02 0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2yrs h ALA 129 Cb 0.42 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2yrs h ALA 129 CO -0.28 -0.43 0.04 0.00 0.00 0.00 0.00 179.25 178.58 2yrs h ALA 130 N 1.76 1.10 -0.03 0.00 0.00 -1.12 -1.74 119.26 119.23 2yrs h ALA 130 Ca 0.41 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2yrs h ALA 130 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2yrs h ALA 130 CO -0.75 0.58 -0.47 1.88 0.00 0.00 0.00 179.25 180.49 2yrs h TYR 131 N 0.79 0.08 -0.47 0.00 0.05 0.17 -2.76 116.97 114.83 2yrs h TYR 131 Ca 0.16 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 2yrs h TYR 131 Cb 0.42 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 2yrs h TYR 131 CO 0.02 0.53 0.10 1.96 -1.05 0.00 0.00 178.16 179.72 2yrs h GLN 132 N 0.06 0.77 -0.58 4.88 1.08 0.28 -0.20 115.11 121.39 2yrs h GLN 132 Ca 0.00 -0.20 0.06 0.00 -1.45 0.00 0.00 58.65 57.06 2yrs h GLN 132 Cb 0.86 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.14 2yrs h GLN 132 CO 0.06 0.77 0.28 0.87 -0.95 0.00 0.00 178.83 179.86 2yrs h LYS 133 N 0.64 0.52 -0.09 1.46 1.57 -1.28 -1.76 116.57 117.63 2yrs h LYS 133 Ca 0.15 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2yrs h LYS 133 Cb 0.36 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2yrs h LYS 133 CO 0.01 0.34 -0.02 0.28 -0.57 0.00 0.00 179.45 179.49 2yrs h VAL 134 N 0.53 1.29 -0.47 0.50 2.07 -1.15 -0.36 116.25 118.66 2yrs h VAL 134 Ca 0.26 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2yrs h VAL 134 Cb 0.20 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2yrs h VAL 134 CO -0.20 0.26 0.12 1.62 0.02 0.00 0.00 177.57 179.39 2yrs h VAL 135 N -0.14 1.20 -0.62 2.57 3.04 -1.07 0.30 116.25 121.53 2yrs h VAL 135 Ca 0.02 -0.72 -0.06 0.00 -1.01 0.00 0.00 66.70 64.93 2yrs h VAL 135 Cb 0.42 0.71 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 2yrs h VAL 135 CO 0.01 0.27 0.15 0.00 -1.01 0.00 0.00 177.57 176.99 2yrs h ALA 136 N 1.45 0.81 -0.29 3.17 0.00 -1.12 -1.82 119.26 121.46 2yrs h ALA 136 Ca 0.16 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2yrs h ALA 136 Cb 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2yrs h ALA 136 CO -0.00 0.52 -0.34 0.78 0.00 0.00 0.00 179.25 180.20 2yrs h GLY 137 N 0.90 0.80 0.82 0.00 0.00 0.10 0.11 103.07 105.80 2yrs h GLY 137 Ca 0.19 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 2yrs h GLY 137 CO 0.00 0.77 -0.35 -2.08 0.00 0.00 0.00 176.54 174.89 2yrs h VAL 138 N 0.48 0.29 -0.57 4.60 2.07 -0.52 0.16 116.25 122.76 2yrs h VAL 138 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.66 2yrs h VAL 138 Cb 0.93 0.29 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 2yrs h VAL 138 CO 0.08 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.36 2yrs h ALA 139 N -0.45 -0.02 -0.75 1.67 0.00 -1.18 0.31 119.26 118.84 2yrs h ALA 139 Ca -0.06 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2yrs h ALA 139 Cb 0.69 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2yrs h ALA 139 CO 0.05 -0.66 0.25 -0.91 0.00 0.00 0.00 179.25 177.97 2yrs h ASN 140 N -0.16 1.09 -0.68 0.00 -0.26 -0.68 -1.34 115.58 113.55 2yrs h ASN 140 Ca 0.23 -0.20 0.03 0.00 -0.56 0.00 0.00 56.30 55.80 2yrs h ASN 140 Cb 0.54 -0.29 -0.04 0.00 -1.06 0.00 0.00 38.32 37.48 2yrs h ASN 140 CO -0.66 1.00 0.42 0.00 -1.06 0.00 0.00 177.43 177.14 2yrs h ALA 141 N 1.13 0.88 0.00 -0.83 0.00 0.19 -1.73 119.26 118.89 2yrs h ALA 141 Ca 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2yrs h ALA 141 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2yrs h ALA 141 CO -0.01 0.19 -0.13 -0.07 0.00 0.00 0.00 179.25 179.23 2yrs h LEU 142 N 0.83 0.00 0.00 0.00 3.38 -0.07 -2.54 115.31 116.90 2yrs h LEU 142 Ca 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 2yrs h LEU 142 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2yrs h LEU 142 CO -0.11 0.13 -0.69 0.00 0.09 0.00 0.00 178.44 177.86 2yrs h ALA 143 N 1.87 0.71 -0.74 1.53 0.00 -0.67 -3.39 119.26 118.57 2yrs h ALA 143 Ca -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2yrs h ALA 143 Cb 0.41 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2yrs h ALA 143 CO 0.02 0.32 0.49 1.25 0.00 0.00 0.00 179.25 181.32 2yrs h HIS 144 N 0.00 0.83 -0.44 0.00 6.17 -0.88 -1.82 115.15 119.00 2yrs h HIS 144 Ca -0.03 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2yrs h HIS 144 Cb 1.20 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 30.85 2yrs h HIS 144 CO 0.00 0.46 0.00 1.63 0.71 0.00 0.00 177.93 180.73 2yrs n LYS 145 N -4.47 2.98 -2.58 5.26 4.76 -1.26 -4.92 118.16 117.93 2yrs n LYS 145 Ca 0.10 -2.00 -0.39 0.00 -2.87 0.00 0.00 58.31 53.16 2yrs n LYS 145 Cb 0.17 -1.74 -0.05 0.00 -1.84 0.00 0.00 35.03 31.57 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 -1.80 3.55 0.00 2.13 1.51 -0.69 -4.73 117.35 117.32 2yrs s TYR 146 Ca 0.36 1.73 0.00 0.00 -1.01 0.00 0.00 57.07 58.14 2yrs s TYR 146 Cb 0.23 -3.14 0.00 0.00 -0.11 0.00 0.00 41.96 38.95 2yrs s TYR 146 CO 0.16 -0.32 0.00 -2.39 -1.11 0.00 0.00 175.55 171.89