#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkh h ARG 10 N 0.00 0.61 -0.43 -2.67 3.08 -2.00 -2.61 114.38 110.36 1wkh h ARG 10 Ca 0.00 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1wkh h ARG 10 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1wkh h ARG 10 CO 0.00 0.66 0.24 0.00 -1.07 0.00 0.00 179.97 179.80 1wkh h ALA 11 N 1.39 0.54 -0.21 0.04 0.00 -2.05 -1.41 119.26 117.57 1wkh h ALA 11 Ca 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1wkh h ALA 11 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wkh h ALA 11 CO 0.02 -0.09 -0.12 -0.07 0.00 0.00 0.00 179.25 178.99 1wkh h LEU 12 N 0.49 0.32 0.15 0.00 3.38 -1.92 -1.86 115.31 115.87 1wkh h LEU 12 Ca 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1wkh h LEU 12 Cb 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1wkh h LEU 12 CO -0.10 0.47 -0.07 0.25 0.09 0.00 0.00 178.44 179.08 1wkh h LEU 13 N 0.31 -0.18 -1.42 1.67 5.85 -1.06 -2.47 115.31 118.01 1wkh h LEU 13 Ca 0.06 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.50 1wkh h LEU 13 Cb 0.41 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1wkh h LEU 13 CO 0.02 0.32 0.46 -0.08 -0.34 0.00 0.00 178.44 178.82 1wkh h GLU 14 N -0.73 0.67 -0.52 1.25 4.57 -1.24 0.15 114.58 118.73 1wkh h GLU 14 Ca -0.02 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1wkh h GLU 14 Cb 0.52 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1wkh h GLU 14 CO 0.03 0.44 0.06 0.00 -1.18 0.00 0.00 179.01 178.36 1wkh h ALA 15 N 1.63 1.12 -0.19 2.92 0.00 -1.32 0.12 119.26 123.54 1wkh h ALA 15 Ca 0.31 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1wkh h ALA 15 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wkh h ALA 15 CO -0.10 0.57 -0.38 1.49 0.00 0.00 0.00 179.25 180.82 1wkh h GLU 16 N 0.79 0.60 -0.29 0.00 4.81 -0.56 -1.78 114.58 118.16 1wkh h GLU 16 Ca 0.16 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1wkh h GLU 16 Cb 0.40 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1wkh h GLU 16 CO 0.01 1.00 0.10 0.87 -0.73 0.00 0.00 179.01 180.27 1wkh h LYS 17 N 0.27 0.43 -0.18 1.92 1.57 -0.89 -2.30 116.57 117.40 1wkh h LYS 17 Ca 0.01 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1wkh h LYS 17 Cb 0.98 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1wkh h LYS 17 CO 0.09 0.47 -0.08 1.15 -0.57 0.00 0.00 179.45 180.50 1wkh h THR 18 N 0.31 1.31 -0.00 -0.16 2.02 -0.79 -3.28 112.91 112.30 1wkh h THR 18 Ca 0.09 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1wkh h THR 18 Cb 0.21 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1wkh h THR 18 CO -0.01 0.34 -0.14 0.18 0.37 0.00 0.00 175.52 176.26 1wkh n LEU 19 N -4.61 0.60 -4.79 2.58 4.77 -0.67 -4.89 117.00 109.99 1wkh n LEU 19 Ca -0.05 -0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.55 1wkh n LEU 19 Cb 0.31 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1wkh n LEU 19 CO 0.38 0.11 0.72 -0.62 -1.33 0.00 0.00 177.39 176.65 1wkh s ASP 20 N -2.47 5.19 0.59 -1.43 2.15 -0.86 -4.90 116.67 114.93 1wkh s ASP 20 Ca 0.28 1.80 0.33 0.00 0.43 0.00 0.00 52.55 55.39 1wkh s ASP 20 Cb 0.20 -2.52 1.86 0.00 -0.30 0.00 0.00 42.92 42.16 1wkh s ASP 20 CO 0.48 -1.57 2.23 0.77 -0.17 0.00 0.00 175.17 176.91 1wkh h SER 21 N -0.39 0.00 0.00 -0.34 4.64 -1.90 -3.46 113.55 112.10 1wkh h SER 21 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1wkh h SER 21 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1wkh h SER 21 CO 0.55 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 1wkh n GLY 22 N -1.03 0.72 0.13 -0.77 0.00 -1.26 -4.94 105.19 98.04 1wkh n GLY 22 Ca -0.03 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1wkh n GLY 22 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wkh n VAL 23 N -2.55 0.00 -4.24 1.61 0.24 -1.26 -4.87 118.33 107.26 1wkh n VAL 23 Ca 0.00 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.34 61.95 1wkh n VAL 23 Cb 0.00 -0.09 -0.09 0.00 -1.47 0.00 0.00 33.84 32.19 1wkh n VAL 23 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1wkh s TYR 24 N -2.39 2.71 -0.78 6.34 1.51 -1.26 -5.07 117.35 118.41 1wkh s TYR 24 Ca 0.31 -0.18 -0.16 0.00 -1.01 0.00 0.00 57.07 56.03 1wkh s TYR 24 Cb 0.20 -1.38 0.17 0.00 -0.11 0.00 0.00 41.96 40.84 1wkh s TYR 24 CO 0.45 0.46 0.83 -0.80 -1.11 0.00 0.00 175.55 175.38 1wkh s ASN 25 N -2.49 6.57 -0.01 2.29 0.02 -1.26 -5.02 114.94 115.03 1wkh s ASN 25 Ca 0.23 -2.20 -0.29 0.00 -1.02 0.00 0.00 52.86 49.58 1wkh s ASN 25 Cb -0.10 -2.28 -0.03 0.00 0.02 0.00 0.00 41.25 38.86 1wkh s ASN 25 CO 0.15 -0.83 0.94 -0.54 0.02 0.00 0.00 177.10 176.83 1wkh s LYS 26 N 1.45 4.54 0.76 -0.60 1.02 -1.26 -5.04 119.74 120.60 1wkh s LYS 26 Ca 0.19 1.33 -0.11 0.00 0.02 0.00 0.00 55.97 57.41 1wkh s LYS 26 Cb -0.13 -3.46 0.05 0.00 -0.52 0.00 0.00 37.83 33.77 1wkh s LYS 26 CO -0.05 -0.03 1.08 -1.01 -0.92 0.00 0.00 175.35 174.42 1wkh s HIS 27 N 0.97 2.73 -1.29 3.18 3.76 -1.26 -4.94 115.29 118.44 1wkh s HIS 27 Ca 0.50 1.49 -0.13 0.00 -0.15 0.00 0.00 55.06 56.77 1wkh s HIS 27 Cb -0.20 -3.00 0.13 0.00 1.11 0.00 0.00 32.58 30.61 1wkh s HIS 27 CO 0.26 -1.66 1.77 -3.47 -0.85 0.00 0.00 174.74 170.80 1wkh n ASP 28 N -3.42 4.91 -3.60 1.40 2.03 -1.26 -4.87 116.55 111.73 1wkh n ASP 28 Ca 0.08 -2.99 -0.03 0.00 0.52 0.00 0.00 54.79 52.37 1wkh n ASP 28 Cb 0.53 -1.58 -0.02 0.00 -0.72 0.00 0.00 41.12 39.33 1wkh n ASP 28 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1wkh s LEU 29 N 1.54 -0.14 -0.24 -2.67 0.05 -1.26 -5.14 118.68 110.82 1wkh s LEU 29 Ca 0.44 -0.06 -0.01 0.00 0.05 0.00 0.00 54.13 54.56 1wkh s LEU 29 Cb 0.05 1.48 0.07 0.00 -2.05 0.00 0.00 46.19 45.75 1wkh s LEU 29 CO 0.00 -0.32 0.02 -0.22 -0.55 0.00 0.00 176.35 175.28 1wkh s LEU 30 N -2.47 2.05 -0.24 1.48 2.96 -1.26 -5.06 118.68 116.14 1wkh s LEU 30 Ca 0.10 -1.20 -0.24 0.00 -0.22 0.00 0.00 54.13 52.57 1wkh s LEU 30 Cb 0.01 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 1wkh s LEU 30 CO -0.04 -0.31 0.80 -0.63 -1.32 0.00 0.00 176.35 174.84 1wkh s ILE 31 N 1.61 4.86 -0.10 6.68 -1.09 -1.26 0.15 121.20 132.04 1wkh s ILE 31 Ca 0.01 1.51 0.16 0.00 -2.23 0.00 0.00 60.65 60.09 1wkh s ILE 31 Cb -0.18 -4.09 -0.23 0.00 -1.58 0.00 0.00 42.46 36.38 1wkh s ILE 31 CO -0.12 -0.06 0.19 1.33 -1.23 0.00 0.00 174.94 175.05 1wkh n VAL 32 N 5.25 0.63 -3.63 2.92 0.24 -0.27 -4.93 118.33 118.54 1wkh n VAL 32 Ca 0.05 -0.56 -0.10 0.00 -2.04 0.00 0.00 64.34 61.68 1wkh n VAL 32 Cb 0.48 -0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 32.52 1wkh n VAL 32 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1wkh s ARG 33 N -2.74 1.08 0.05 7.34 3.52 -1.16 -5.00 118.95 122.04 1wkh s ARG 33 Ca -0.07 -0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 54.71 1wkh s ARG 33 Cb 0.07 0.47 0.01 0.00 -1.56 0.00 0.00 34.95 33.94 1wkh s ARG 33 CO 0.68 -0.42 0.23 0.20 -0.81 0.00 0.00 175.30 175.18 1wkh s GLY 34 N -2.80 -0.00 -0.30 8.12 0.00 -1.26 -0.37 107.32 110.70 1wkh s GLY 34 Ca 0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 44.72 44.36 1wkh s GLY 34 CO -0.12 -0.45 0.80 1.62 0.00 0.00 0.00 173.10 174.95 1wkh s GLN 35 N -2.82 0.47 7.43 2.90 0.74 0.75 -4.34 119.66 124.78 1wkh s GLN 35 Ca -0.03 1.12 0.00 0.00 0.05 0.00 0.00 55.36 56.50 1wkh s GLN 35 Cb 0.00 0.61 0.00 0.00 1.10 0.00 0.00 33.01 34.73 1wkh s GLN 35 CO -0.05 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 1wkh n GLY 36 N 5.09 2.59 1.39 2.59 0.00 0.83 -1.83 105.19 115.85 1wkh n GLY 36 Ca -0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1wkh n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkh n ALA 37 N 11.10 4.04 -2.63 4.61 0.00 -1.26 -0.85 120.51 135.52 1wkh n ALA 37 Ca 0.00 -2.61 -0.21 0.00 0.00 0.00 0.00 53.44 50.62 1wkh n ALA 37 Cb 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 1wkh n ALA 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wkh s ARG 38 N -3.04 0.96 0.05 0.00 0.52 -0.76 -1.17 118.95 115.50 1wkh s ARG 38 Ca 0.48 -1.03 -0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1wkh s ARG 38 Cb 0.40 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.77 1wkh s ARG 38 CO 0.08 0.25 -0.04 0.14 0.02 0.00 0.00 175.30 175.74 1wkh s VAL 39 N -1.20 0.28 0.03 3.52 -7.23 -0.98 -0.18 120.40 114.65 1wkh s VAL 39 Ca 0.02 -1.59 0.09 0.00 -1.81 0.00 0.00 61.98 58.69 1wkh s VAL 39 Cb -0.10 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 1wkh s VAL 39 CO 0.03 -0.83 -0.26 0.26 -0.31 0.00 0.00 175.10 173.99 1wkh s TRP 40 N -3.18 2.28 0.68 2.82 0.51 0.50 -0.50 118.94 122.04 1wkh s TRP 40 Ca 0.02 -0.41 -0.01 0.00 -2.12 0.00 0.00 56.10 53.57 1wkh s TRP 40 Cb 0.03 -1.38 0.10 0.00 -0.81 0.00 0.00 33.47 31.40 1wkh s TRP 40 CO -0.07 0.09 0.94 0.16 -0.51 0.00 0.00 176.95 177.57 1wkh s ASP 41 N -1.11 4.61 0.00 2.95 1.47 -0.52 -1.11 116.67 122.96 1wkh s ASP 41 Ca 0.11 -0.20 0.08 0.00 1.18 0.00 0.00 52.55 53.72 1wkh s ASP 41 Cb -0.10 -0.33 0.39 0.00 -0.34 0.00 0.00 42.92 42.55 1wkh s ASP 41 CO 0.01 -1.66 1.22 0.00 0.68 0.00 0.00 175.17 175.42 1wkh n ALA 42 N -2.72 1.47 1.05 2.11 0.00 0.12 -1.60 120.51 120.94 1wkh n ALA 42 Ca 0.13 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1wkh n ALA 42 Cb 0.60 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.99 1wkh n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wkh n GLU 43 N -1.41 1.21 -0.03 0.00 1.02 -1.26 -4.96 120.64 115.21 1wkh n GLU 43 Ca 0.03 -0.96 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 1wkh n GLU 43 Cb 0.09 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1wkh n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wkh n GLY 44 N 1.40 0.35 3.77 0.62 0.00 -0.63 -5.07 105.19 105.63 1wkh n GLY 44 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1wkh n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wkh s ASN 45 N -2.56 6.79 -0.13 1.61 0.01 -1.26 -4.80 114.94 114.59 1wkh s ASN 45 Ca 0.00 2.29 -0.04 0.00 -0.71 0.00 0.00 52.86 54.40 1wkh s ASN 45 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1wkh s ASN 45 CO 0.00 -0.49 0.03 -0.70 -1.51 0.00 0.00 177.10 174.43 1wkh s GLU 46 N -2.07 3.46 0.16 -0.60 2.12 -1.26 -1.44 118.70 119.07 1wkh s GLU 46 Ca 0.53 -0.37 0.10 0.00 0.36 0.00 0.00 54.97 55.59 1wkh s GLU 46 Cb -0.30 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1wkh s GLU 46 CO 0.38 0.50 -0.22 0.71 -0.54 0.00 0.00 175.26 176.09 1wkh s TYR 47 N -0.30 2.05 -0.31 5.30 1.51 0.35 -4.84 117.35 121.10 1wkh s TYR 47 Ca 0.07 -0.41 -0.18 0.00 -1.01 0.00 0.00 57.07 55.55 1wkh s TYR 47 Cb -0.12 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.66 1wkh s TYR 47 CO 0.02 0.37 0.50 0.42 -1.11 0.00 0.00 175.55 175.75 1wkh s ILE 48 N -1.61 5.05 -0.51 2.71 1.01 -0.06 -2.32 121.20 125.47 1wkh s ILE 48 Ca 0.16 0.56 -0.21 0.00 0.00 0.00 0.00 60.65 61.16 1wkh s ILE 48 Cb -0.08 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.55 1wkh s ILE 48 CO 0.07 -0.07 0.74 -0.62 0.00 0.00 0.00 174.94 175.06 1wkh s ASP 49 N 1.67 6.28 -0.20 3.58 2.15 -0.32 -1.47 116.67 128.36 1wkh s ASP 49 Ca 0.19 -0.65 0.16 0.00 0.43 0.00 0.00 52.55 52.69 1wkh s ASP 49 Cb -0.15 -2.35 0.60 0.00 -0.30 0.00 0.00 42.92 40.72 1wkh s ASP 49 CO 0.12 -1.00 1.50 0.00 -0.17 0.00 0.00 175.17 175.62 1wkh n VAL 51 N -0.28 1.30 -3.89 0.00 0.31 -1.23 -0.17 118.33 114.37 1wkh n VAL 51 Ca 0.23 -0.20 -0.28 0.00 -0.01 0.00 0.00 64.34 64.08 1wkh n VAL 51 Cb 0.97 -1.91 0.02 0.00 -0.91 0.00 0.00 33.84 32.02 1wkh n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wkh n GLY 52 N 1.64 -0.43 2.73 2.92 0.00 -1.25 -1.10 105.19 109.70 1wkh n GLY 52 Ca -0.37 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1wkh n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 53 N -1.67 -0.43 2.81 -0.02 0.00 -1.26 -0.67 105.19 103.95 1wkh n GLY 53 Ca -0.05 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1wkh n GLY 53 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wkh n TYR 54 N -4.29 -1.73 -1.86 1.61 4.01 -0.26 -3.64 117.16 110.99 1wkh n TYR 54 Ca -0.15 0.68 -0.07 0.00 -0.16 0.00 0.00 57.90 58.20 1wkh n TYR 54 Cb 0.64 -4.05 -0.01 0.00 -0.31 0.00 0.00 39.34 35.61 1wkh n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wkh n GLY 55 N -1.19 0.32 0.13 2.72 0.00 -0.98 -4.94 105.19 101.26 1wkh n GLY 55 Ca -0.14 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1wkh n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wkh n VAL 56 N -3.66 1.56 -0.02 1.61 0.31 0.16 -3.54 118.33 114.74 1wkh n VAL 56 Ca -0.08 -0.65 -0.01 0.00 -0.01 0.00 0.00 64.34 63.59 1wkh n VAL 56 Cb 0.46 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1wkh n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wkh n ALA 57 N -3.07 3.58 -0.29 3.52 0.00 -0.65 -3.83 120.51 119.77 1wkh n ALA 57 Ca -0.39 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.01 1wkh n ALA 57 Cb 1.03 -1.03 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1wkh n ALA 57 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1wkh h ASN 58 N 0.69 0.35 0.00 0.00 4.21 -1.86 0.19 115.58 119.16 1wkh h ASN 58 Ca 0.03 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.67 1wkh h ASN 58 Cb 1.02 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 1wkh h ASN 58 CO 0.06 0.07 -0.00 0.18 -1.29 0.00 0.00 177.43 176.45 1wkh n LEU 59 N -5.00 0.09 0.00 1.61 4.77 -1.26 -0.01 117.00 117.20 1wkh n LEU 59 Ca 0.19 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1wkh n LEU 59 Cb 0.55 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1wkh n LEU 59 CO 0.16 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1wkh n GLY 60 N 1.01 -0.61 3.70 -0.72 0.00 0.67 -4.61 105.19 104.64 1wkh n GLY 60 Ca 0.24 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1wkh n GLY 60 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wkh n HIS 61 N 0.52 2.40 -1.48 1.61 8.25 -0.03 -2.39 115.22 124.11 1wkh n HIS 61 Ca 0.00 0.44 -0.07 0.00 -0.26 0.00 0.00 57.72 57.83 1wkh n HIS 61 Cb 0.00 -2.48 -0.02 0.00 1.12 0.00 0.00 29.99 28.61 1wkh n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wkh n GLY 62 N 1.57 0.65 3.59 -1.41 0.00 -1.26 -0.12 105.19 108.21 1wkh n GLY 62 Ca 0.08 -0.70 -0.52 0.00 0.00 0.00 0.00 46.02 44.88 1wkh n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wkh n ASN 63 N 0.84 2.57 -0.19 1.61 5.15 -1.00 -4.84 115.26 119.39 1wkh n ASN 63 Ca -0.07 0.75 -0.04 0.00 -0.60 0.00 0.00 54.58 54.62 1wkh n ASN 63 Cb 0.33 -1.26 0.02 0.00 -0.53 0.00 0.00 39.78 38.34 1wkh n ASN 63 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1wkh h PRO 64 N 10.08 -0.13 -0.54 1.20 0.11 -1.92 0.00 132.00 140.80 1wkh h PRO 64 Ca -0.39 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1wkh h PRO 64 Cb 1.31 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 1wkh h PRO 64 CO 0.98 -0.09 0.35 0.93 -0.21 0.00 0.00 178.00 179.97 1wkh h GLU 65 N -0.14 0.72 -0.03 1.05 3.07 -1.95 -0.74 114.58 116.56 1wkh h GLU 65 Ca 0.24 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 1wkh h GLU 65 Cb 0.53 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1wkh h GLU 65 CO -0.65 0.49 -0.03 0.28 -1.40 0.00 0.00 179.01 177.70 1wkh h VAL 66 N 0.74 1.37 -0.43 3.13 2.07 -1.75 -1.04 116.25 120.33 1wkh h VAL 66 Ca 0.20 -1.14 0.08 0.00 0.82 0.00 0.00 66.70 66.66 1wkh h VAL 66 Cb -0.07 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 1wkh h VAL 66 CO -0.04 0.31 -0.00 0.58 0.02 0.00 0.00 177.57 178.43 1wkh h VAL 67 N -0.37 0.67 -0.37 2.57 2.07 -0.95 -0.16 116.25 119.72 1wkh h VAL 67 Ca 0.01 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1wkh h VAL 67 Cb 0.51 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1wkh h VAL 67 CO 0.01 0.02 0.24 -0.08 0.02 0.00 0.00 177.57 177.78 1wkh h GLU 68 N 0.11 0.48 -0.96 1.57 4.57 -1.12 -1.30 114.58 117.93 1wkh h GLU 68 Ca 0.21 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.40 1wkh h GLU 68 Cb 0.30 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 1wkh h GLU 68 CO -0.35 0.32 0.62 0.00 -1.18 0.00 0.00 179.01 178.42 1wkh h ALA 69 N 1.14 1.27 -0.29 2.92 0.00 -0.33 -1.54 119.26 122.43 1wkh h ALA 69 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wkh h ALA 69 Cb -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1wkh h ALA 69 CO -0.03 0.50 0.12 0.28 0.00 0.00 0.00 179.25 180.11 1wkh h VAL 70 N 1.20 1.17 -0.40 0.00 2.07 -0.60 -2.17 116.25 117.53 1wkh h VAL 70 Ca 0.38 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1wkh h VAL 70 Cb 0.01 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1wkh h VAL 70 CO -0.13 0.18 0.25 0.11 0.02 0.00 0.00 177.57 178.00 1wkh h LYS 71 N 0.32 0.55 -0.40 1.57 1.57 -0.74 -1.29 116.57 118.14 1wkh h LYS 71 Ca 0.10 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1wkh h LYS 71 Cb 0.17 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1wkh h LYS 71 CO -0.01 0.40 0.02 0.00 -0.57 0.00 0.00 179.45 179.29 1wkh h ARG 72 N 0.53 0.69 -0.16 3.15 2.47 -1.25 -2.99 114.38 116.83 1wkh h ARG 72 Ca 0.14 -0.21 -0.15 0.00 -1.26 0.00 0.00 59.98 58.51 1wkh h ARG 72 Cb -0.01 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1wkh h ARG 72 CO -0.03 0.77 -0.52 0.37 0.56 0.00 0.00 179.97 181.13 1wkh h GLN 73 N 0.53 0.44 -0.37 0.04 5.75 -1.35 -2.76 115.11 117.39 1wkh h GLN 73 Ca 0.12 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.37 1wkh h GLN 73 Cb 0.45 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1wkh h GLN 73 CO 0.02 0.86 0.25 0.00 -2.65 0.00 0.00 178.83 177.30 1wkh h ALA 74 N 1.10 1.81 0.00 3.38 0.00 -1.18 0.60 119.26 124.97 1wkh h ALA 74 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wkh h ALA 74 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wkh h ALA 74 CO 0.09 0.16 -0.33 0.93 0.00 0.00 0.00 179.25 180.10 1wkh h GLU 75 N 0.44 0.00 0.00 0.00 5.08 -1.37 -3.40 114.58 115.33 1wkh h GLU 75 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1wkh h GLU 75 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1wkh h GLU 75 CO -0.03 0.00 -0.65 2.41 -1.00 0.00 0.00 179.01 179.73 1wkh n THR 76 N -2.40 1.43 -3.61 1.13 -1.04 -0.37 -5.05 114.28 104.36 1wkh n THR 76 Ca 0.04 0.20 -0.02 0.00 -2.04 0.00 0.00 64.05 62.22 1wkh n THR 76 Cb 0.46 -2.37 -0.06 0.00 -1.82 0.00 0.00 70.33 66.54 1wkh n THR 76 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1wkh s LEU 77 N -8.09 -0.58 -0.03 -4.42 2.96 0.06 -5.08 118.68 103.50 1wkh s LEU 77 Ca -0.19 0.90 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 1wkh s LEU 77 Cb 0.03 1.81 -0.03 0.00 0.50 0.00 0.00 46.19 48.50 1wkh s LEU 77 CO 0.28 -0.14 -0.00 0.23 -1.32 0.00 0.00 176.35 175.40 1wkh n MET 78 N 4.01 2.53 -3.83 1.98 2.81 -1.26 -4.16 117.12 119.21 1wkh n MET 78 Ca -0.17 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.36 1wkh n MET 78 Cb 0.57 -1.07 -0.13 0.00 -0.71 0.00 0.00 33.22 31.88 1wkh n MET 78 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wkh s ALA 79 N -2.07 2.93 -0.28 3.04 0.00 -1.26 -4.04 121.76 120.08 1wkh s ALA 79 Ca -0.02 -1.69 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 1wkh s ALA 79 Cb 0.01 -2.08 0.12 0.00 0.00 0.00 0.00 23.12 21.16 1wkh s ALA 79 CO 0.10 -1.22 0.63 1.41 0.00 0.00 0.00 175.76 176.67 1wkh s MET 80 N 1.35 0.57 0.82 0.00 0.00 -1.26 -5.04 119.30 115.74 1wkh s MET 80 Ca -0.02 1.36 -0.12 0.00 0.00 0.00 0.00 55.69 56.91 1wkh s MET 80 Cb -0.19 0.69 0.08 0.00 0.00 0.00 0.00 34.83 35.41 1wkh s MET 80 CO 0.01 -0.20 1.12 -1.25 0.00 0.00 0.00 175.02 174.70 1wkh s PRO 81 N 2.65 1.93 0.61 4.11 0.04 -1.26 -4.56 135.00 138.51 1wkh s PRO 81 Ca -0.06 0.40 0.33 0.00 0.04 0.00 0.00 61.00 61.71 1wkh s PRO 81 Cb -0.11 -1.92 1.94 0.00 0.04 0.00 0.00 34.50 34.45 1wkh s PRO 81 CO -0.18 -1.68 2.27 1.96 0.04 0.00 0.00 177.00 179.41 1wkh h GLN 82 N -1.12 0.00 0.00 4.56 1.08 -1.86 -1.52 115.11 116.24 1wkh h GLN 82 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1wkh h GLN 82 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1wkh h GLN 82 CO 0.62 0.00 0.00 0.25 -0.95 0.00 0.00 178.83 178.75 1wkh n THR 83 N -3.67 0.61 -3.93 -0.54 -2.24 -1.26 -4.50 114.28 98.75 1wkh n THR 83 Ca -0.03 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 1wkh n THR 83 Cb 0.10 -0.70 -0.14 0.00 -2.10 0.00 0.00 70.33 67.49 1wkh n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wkh s LEU 84 N -4.41 4.91 0.44 3.22 1.43 -0.57 -5.10 118.68 118.60 1wkh s LEU 84 Ca 0.10 -2.09 -0.23 0.00 -1.03 0.00 0.00 54.13 50.88 1wkh s LEU 84 Cb 0.12 -1.70 -0.11 0.00 0.03 0.00 0.00 46.19 44.53 1wkh s LEU 84 CO 0.55 -0.43 0.81 -2.65 0.23 0.00 0.00 176.35 174.86 1wkh n PRO 85 N 4.38 0.98 -3.77 1.29 -0.02 -1.26 -4.61 135.00 131.98 1wkh n PRO 85 Ca 0.01 0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 61.72 1wkh n PRO 85 Cb 0.42 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 31.94 1wkh n PRO 85 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1wkh s THR 86 N -1.38 -0.02 0.23 3.45 -1.32 -1.26 -5.09 115.64 110.25 1wkh s THR 86 Ca 0.65 0.06 -0.16 0.00 -1.21 0.00 0.00 61.69 61.03 1wkh s THR 86 Cb -0.56 -0.32 0.27 0.00 -1.51 0.00 0.00 72.50 70.38 1wkh s THR 86 CO 0.56 0.03 1.56 1.55 -2.21 0.00 0.00 174.62 176.11 1wkh h PRO 87 N 6.36 -0.03 -0.04 7.08 0.13 -2.01 -1.47 132.00 142.03 1wkh h PRO 87 Ca -0.32 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1wkh h PRO 87 Cb 1.18 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wkh h PRO 87 CO 0.38 -0.02 0.04 0.52 -0.23 0.00 0.00 178.00 178.69 1wkh h MET 88 N -0.03 0.00 0.05 0.86 2.86 -1.96 -1.65 114.93 115.07 1wkh h MET 88 Ca 0.36 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1wkh h MET 88 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1wkh h MET 88 CO -0.93 0.00 -0.02 -0.09 1.06 0.00 0.00 176.91 176.93 1wkh h ARG 89 N 0.00 -0.07 -0.77 1.72 2.43 -1.58 0.03 114.38 116.14 1wkh h ARG 89 Ca 0.02 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1wkh h ARG 89 Cb 0.09 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 1wkh h ARG 89 CO -0.00 0.39 0.51 0.78 -1.51 0.00 0.00 179.97 180.14 1wkh h GLY 90 N -0.55 1.06 0.79 2.80 0.00 -1.43 0.12 103.07 105.86 1wkh h GLY 90 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1wkh h GLY 90 CO 0.01 0.24 0.00 -2.09 0.00 0.00 0.00 176.54 174.71 1wkh h GLU 91 N 0.83 0.27 0.05 4.80 4.57 -1.21 -2.07 114.58 121.82 1wkh h GLU 91 Ca 0.33 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1wkh h GLU 91 Cb 0.25 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1wkh h GLU 91 CO -0.12 0.49 -0.04 0.35 -1.18 0.00 0.00 179.01 178.52 1wkh h PHE 92 N 0.02 -0.09 -0.29 0.92 3.57 -0.09 0.90 116.94 121.88 1wkh h PHE 92 Ca 0.04 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1wkh h PHE 92 Cb 0.37 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 1wkh h PHE 92 CO 0.03 -0.06 -0.29 1.88 -2.23 0.00 0.00 178.31 177.64 1wkh h TYR 93 N -0.09 -0.80 -0.02 0.41 0.05 -0.73 0.15 116.97 115.94 1wkh h TYR 93 Ca -0.00 0.05 -0.14 0.00 0.05 0.00 0.00 58.73 58.69 1wkh h TYR 93 Cb 0.08 0.40 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1wkh h TYR 93 CO -0.08 -0.36 -0.62 0.07 -1.05 0.00 0.00 178.16 176.11 1wkh h ARG 94 N -0.28 0.06 -0.43 4.88 0.11 -1.25 -1.63 114.38 115.84 1wkh h ARG 94 Ca 0.15 -0.05 -0.15 0.00 0.10 0.00 0.00 59.98 60.03 1wkh h ARG 94 Cb 0.51 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 1wkh h ARG 94 CO -0.45 0.67 -0.30 1.15 0.10 0.00 0.00 179.97 181.13 1wkh h THR 95 N 0.05 1.27 -0.08 0.08 2.02 -0.26 -1.05 112.91 114.94 1wkh h THR 95 Ca -0.01 -1.48 -0.13 0.00 0.77 0.00 0.00 66.41 65.56 1wkh h THR 95 Cb 1.11 1.25 0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1wkh h THR 95 CO 0.09 0.50 -0.47 0.25 0.37 0.00 0.00 175.52 176.26 1wkh h LEU 96 N 0.81 0.55 -1.06 2.58 5.85 -0.68 -3.21 115.31 120.16 1wkh h LEU 96 Ca 0.09 -0.66 -0.09 0.00 0.84 0.00 0.00 57.88 58.06 1wkh h LEU 96 Cb 0.89 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1wkh h LEU 96 CO 0.08 1.12 -0.26 0.71 -0.34 0.00 0.00 178.44 179.75 1wkh h THR 97 N 0.02 1.26 0.00 1.05 1.35 -1.32 -2.69 112.91 112.57 1wkh h THR 97 Ca -0.04 -1.21 -0.01 0.00 -0.55 0.00 0.00 66.41 64.60 1wkh h THR 97 Cb 1.13 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1wkh h THR 97 CO 0.10 0.37 -0.07 0.00 -0.25 0.00 0.00 175.52 175.67 1wkh h ALA 98 N 1.42 1.54 -0.55 6.62 0.00 -1.21 -1.31 119.26 125.77 1wkh h ALA 98 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wkh h ALA 98 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wkh h ALA 98 CO 0.05 0.09 0.00 0.44 0.00 0.00 0.00 179.25 179.82 1wkh n ILE 99 N -3.95 1.16 -4.46 0.00 -5.35 -1.02 -4.92 119.36 100.81 1wkh n ILE 99 Ca -0.03 -0.87 -0.23 0.00 -0.27 0.00 0.00 62.75 61.36 1wkh n ILE 99 Cb 0.16 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.16 1wkh n ILE 99 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wkh s LEU 100 N -1.32 2.60 0.82 7.28 1.43 -0.50 -5.02 118.68 123.98 1wkh s LEU 100 Ca 0.40 -1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.25 1wkh s LEU 100 Cb 0.24 -0.89 0.08 0.00 0.03 0.00 0.00 46.19 45.65 1wkh s LEU 100 CO 0.23 -0.16 1.10 -2.65 0.23 0.00 0.00 176.35 175.09 1wkh n PRO 101 N -0.63 0.10 -0.28 1.29 -0.02 -1.26 -4.88 135.00 129.33 1wkh n PRO 101 Ca -0.06 0.11 0.10 0.00 -2.02 0.00 0.00 63.50 61.63 1wkh n PRO 101 Cb 0.62 -2.35 0.24 0.00 -0.02 0.00 0.00 33.50 31.99 1wkh n PRO 101 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wkh h PRO 102 N -1.00 0.24 -0.86 0.52 0.11 -1.98 -2.48 132.00 126.56 1wkh h PRO 102 Ca -0.46 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.76 1wkh h PRO 102 Cb 1.30 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1wkh h PRO 102 CO 0.44 0.16 0.56 0.93 -0.21 0.00 0.00 178.00 179.88 1wkh h GLU 103 N 0.25 0.70 -5.21 1.05 3.07 -1.98 -3.32 114.58 109.14 1wkh h GLU 103 Ca 0.49 -0.04 -0.69 0.00 -0.50 0.00 0.00 59.36 58.62 1wkh h GLU 103 Cb 0.93 -0.16 -0.15 0.00 -0.84 0.00 0.00 28.75 28.53 1wkh h GLU 103 CO -0.59 0.46 1.27 -0.51 -1.40 0.00 0.00 179.01 178.24 1wkh s LEU 104 N -9.79 4.66 -0.04 1.33 1.43 -0.93 -3.88 118.68 111.45 1wkh s LEU 104 Ca -0.10 -2.31 0.06 0.00 -1.03 0.00 0.00 54.13 50.75 1wkh s LEU 104 Cb 0.21 -2.45 0.09 0.00 0.03 0.00 0.00 46.19 44.08 1wkh s LEU 104 CO 0.79 -1.04 0.99 -0.46 0.23 0.00 0.00 176.35 176.85 1wkh n ASN 105 N 6.85 1.69 -4.03 2.29 0.23 -1.13 -4.78 115.26 116.38 1wkh n ASN 105 Ca 0.33 -2.23 -0.27 0.00 -0.53 0.00 0.00 54.58 51.88 1wkh n ASN 105 Cb 0.47 -0.16 -0.17 0.00 -2.08 0.00 0.00 39.78 37.85 1wkh n ASN 105 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1wkh s ARG 106 N -1.40 1.94 -0.11 -3.83 1.81 -0.54 -4.94 118.95 111.89 1wkh s ARG 106 Ca 0.10 -0.47 0.01 0.00 -1.72 0.00 0.00 55.73 53.66 1wkh s ARG 106 Cb 0.09 -1.68 -0.02 0.00 -0.45 0.00 0.00 34.95 32.90 1wkh s ARG 106 CO 0.01 -0.06 -0.14 0.08 -0.68 0.00 0.00 175.30 174.51 1wkh s VAL 107 N 0.97 3.01 -0.40 3.52 1.01 -1.26 -0.08 120.40 127.16 1wkh s VAL 107 Ca -0.08 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1wkh s VAL 107 Cb -0.15 -2.24 0.11 0.00 0.00 0.00 0.00 36.38 34.11 1wkh s VAL 107 CO -0.00 0.54 0.15 0.12 0.00 0.00 0.00 175.10 175.91 1wkh s PHE 108 N 0.07 3.05 0.26 5.22 5.36 -0.37 -5.00 117.98 126.56 1wkh s PHE 108 Ca -0.06 -2.80 -0.29 0.00 -0.96 0.00 0.00 56.93 52.82 1wkh s PHE 108 Cb -0.15 -2.58 -0.09 0.00 -0.34 0.00 0.00 43.02 39.86 1wkh s PHE 108 CO 0.04 -0.85 1.16 -1.25 -1.46 0.00 0.00 175.22 172.86 1wkh s PRO 109 N 0.56 4.55 0.00 10.12 0.04 -1.26 -1.97 135.00 147.04 1wkh s PRO 109 Ca 0.14 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1wkh s PRO 109 Cb -0.22 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1wkh s PRO 109 CO -0.07 0.06 0.00 1.33 0.04 0.00 0.00 177.00 178.36 1wkh n VAL 110 N 1.50 0.00 -0.07 -0.36 0.24 0.05 -3.99 118.33 115.70 1wkh n VAL 110 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1wkh n VAL 110 Cb 0.44 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 1wkh n VAL 110 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1wkh n ASN 111 N -0.13 1.07 -3.61 -1.34 3.02 -1.26 -2.46 115.26 110.54 1wkh n ASN 111 Ca 0.00 -1.14 -0.05 0.00 -0.03 0.00 0.00 54.58 53.36 1wkh n ASN 111 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1wkh n ASN 111 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wkh s SER 112 N -0.14 -0.15 0.12 6.41 1.04 -1.26 -3.81 113.70 115.91 1wkh s SER 112 Ca 0.00 -0.60 -0.13 0.00 0.48 0.00 0.00 55.95 55.69 1wkh s SER 112 Cb 0.00 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 1wkh s SER 112 CO 0.00 -1.15 1.47 1.23 0.98 0.00 0.00 173.24 175.78 1wkh h GLY 113 N 2.00 0.87 1.03 7.32 0.00 -1.86 -2.32 103.07 110.10 1wkh h GLY 113 Ca -0.24 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.20 1wkh h GLY 113 CO 0.28 0.75 0.21 0.00 0.00 0.00 0.00 176.54 177.78 1wkh h THR 114 N 0.59 1.25 -0.16 4.70 1.03 -1.97 -1.80 112.91 116.56 1wkh h THR 114 Ca 0.07 -0.86 -0.05 0.00 -0.01 0.00 0.00 66.41 65.57 1wkh h THR 114 Cb 0.81 0.57 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 1wkh h THR 114 CO 0.07 0.33 -0.12 -0.33 -0.01 0.00 0.00 175.52 175.45 1wkh h GLU 115 N 0.95 0.24 -0.34 0.00 5.08 -1.90 0.93 114.58 119.55 1wkh h GLU 115 Ca 0.21 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1wkh h GLU 115 Cb 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1wkh h GLU 115 CO -0.01 0.38 0.04 0.00 -1.00 0.00 0.00 179.01 178.42 1wkh h ALA 116 N 1.65 0.45 -0.14 3.43 0.00 -0.82 -0.86 119.26 122.97 1wkh h ALA 116 Ca 0.05 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1wkh h ALA 116 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1wkh h ALA 116 CO 0.02 0.17 -0.57 -0.91 0.00 0.00 0.00 179.25 177.96 1wkh h ASN 117 N 0.39 0.48 -0.81 0.00 2.35 -0.99 -1.73 115.58 115.27 1wkh h ASN 117 Ca 0.10 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1wkh h ASN 117 Cb 0.39 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 1wkh h ASN 117 CO 0.01 0.94 0.52 -0.33 -1.65 0.00 0.00 177.43 176.93 1wkh h GLU 118 N 0.32 1.00 -0.59 0.81 4.39 -0.62 0.34 114.58 120.22 1wkh h GLU 118 Ca 0.00 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1wkh h GLU 118 Cb 1.09 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 1wkh h GLU 118 CO 0.10 0.66 -0.03 0.00 -1.16 0.00 0.00 179.01 178.58 1wkh h ALA 119 N 1.33 0.81 -0.74 3.43 0.00 -0.94 -2.26 119.26 120.88 1wkh h ALA 119 Ca 0.32 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wkh h ALA 119 Cb -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1wkh h ALA 119 CO -0.10 0.67 0.45 0.00 0.00 0.00 0.00 179.25 180.27 1wkh h ALA 120 N 0.97 0.94 -0.37 0.00 0.00 -0.32 -0.03 119.26 120.46 1wkh h ALA 120 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1wkh h ALA 120 Cb 0.60 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wkh h ALA 120 CO 0.04 0.40 0.04 -0.07 0.00 0.00 0.00 179.25 179.66 1wkh h LEU 121 N 1.01 0.60 -0.31 0.00 3.38 -0.83 -1.81 115.31 117.34 1wkh h LEU 121 Ca 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1wkh h LEU 121 Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1wkh h LEU 121 CO -0.05 0.72 0.11 0.11 0.09 0.00 0.00 178.44 179.42 1wkh h LYS 122 N 0.45 0.47 -0.45 1.13 1.57 -1.12 -2.02 116.57 116.61 1wkh h LYS 122 Ca 0.11 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1wkh h LYS 122 Cb 0.39 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1wkh h LYS 122 CO 0.01 0.50 0.12 0.74 -0.57 0.00 0.00 179.45 180.25 1wkh h PHE 123 N 0.34 0.67 -0.20 -1.35 -1.00 -0.99 -1.14 116.94 113.27 1wkh h PHE 123 Ca 0.10 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1wkh h PHE 123 Cb 0.22 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1wkh h PHE 123 CO 0.00 0.57 0.08 0.00 -1.61 0.00 0.00 178.31 177.35 1wkh h ALA 124 N 1.49 0.26 -0.41 2.45 0.00 -1.02 0.05 119.26 122.07 1wkh h ALA 124 Ca 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1wkh h ALA 124 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1wkh h ALA 124 CO -0.01 -0.15 0.08 0.00 0.00 0.00 0.00 179.25 179.18 1wkh h ARG 125 N 0.16 0.68 -0.55 0.00 3.08 -1.14 -0.92 114.38 115.69 1wkh h ARG 125 Ca 0.07 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1wkh h ARG 125 Cb 0.18 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1wkh h ARG 125 CO -0.00 0.71 0.32 0.00 -1.07 0.00 0.00 179.97 179.92 1wkh h ALA 126 N 0.94 0.71 -0.11 0.04 0.00 -1.02 0.12 119.26 119.93 1wkh h ALA 126 Ca 0.13 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1wkh h ALA 126 Cb 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wkh h ALA 126 CO 0.01 0.03 -0.25 1.25 0.00 0.00 0.00 179.25 180.29 1wkh h HIS 127 N 0.64 0.47 0.00 0.00 -0.00 -0.85 -3.35 115.15 112.04 1wkh h HIS 127 Ca 0.23 -0.17 -0.13 0.00 -0.00 0.00 0.00 60.37 60.30 1wkh h HIS 127 Cb 0.05 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 1wkh h HIS 127 CO -0.07 0.86 -1.01 1.79 -0.00 0.00 0.00 177.93 179.50 1wkh h THR 128 N -0.06 0.58 0.00 6.26 1.35 -1.13 -3.48 112.91 116.44 1wkh h THR 128 Ca 0.00 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 1wkh h THR 128 Cb 0.84 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1wkh h THR 128 CO 0.05 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1wkh n GLY 129 N 1.31 0.84 4.00 5.82 0.00 0.40 -5.01 105.19 112.55 1wkh n GLY 129 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1wkh n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wkh s ARG 130 N -0.09 2.10 0.00 1.61 0.52 -1.25 -5.05 118.95 116.79 1wkh s ARG 130 Ca 0.00 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 1wkh s ARG 130 Cb 0.00 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1wkh s ARG 130 CO 0.00 -1.06 0.00 1.63 0.02 0.00 0.00 175.30 175.89 1wkh n LYS 131 N -2.53 2.04 -2.19 3.54 4.76 -1.25 -4.58 118.16 117.95 1wkh n LYS 131 Ca 0.13 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.16 1wkh n LYS 131 Cb 0.60 -0.91 -0.03 0.00 -1.84 0.00 0.00 35.03 32.86 1wkh n LYS 131 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1wkh s LYS 132 N -1.82 4.39 -0.03 1.97 2.20 -1.18 -4.37 119.74 120.89 1wkh s LYS 132 Ca 0.00 2.10 0.05 0.00 -0.36 0.00 0.00 55.97 57.76 1wkh s LYS 132 Cb 0.00 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.14 1wkh s LYS 132 CO 0.00 -0.22 -0.18 -0.06 -0.36 0.00 0.00 175.35 174.53 1wkh s PHE 133 N -0.29 2.58 -0.15 4.03 2.99 -0.94 -0.30 117.98 125.91 1wkh s PHE 133 Ca 0.54 -0.24 0.02 0.00 0.00 0.00 0.00 56.93 57.25 1wkh s PHE 133 Cb -0.37 -1.58 0.01 0.00 0.00 0.00 0.00 43.02 41.08 1wkh s PHE 133 CO 0.42 0.13 -0.21 0.08 -0.00 0.00 0.00 175.22 175.64 1wkh s VAL 134 N -0.71 2.03 0.40 -0.44 1.01 -0.51 -0.85 120.40 121.32 1wkh s VAL 134 Ca 0.11 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1wkh s VAL 134 Cb -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1wkh s VAL 134 CO 0.00 0.54 0.09 0.00 0.00 0.00 0.00 175.10 175.74 1wkh s ALA 135 N 1.01 2.91 -0.01 5.51 0.00 -0.60 -0.50 121.76 130.08 1wkh s ALA 135 Ca -0.02 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1wkh s ALA 135 Cb -0.15 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1wkh s ALA 135 CO -0.06 -0.29 0.04 0.00 0.00 0.00 0.00 175.76 175.45 1wkh s ALA 136 N -3.19 3.43 0.51 0.00 0.00 -1.26 -1.71 121.76 119.55 1wkh s ALA 136 Ca 0.25 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 51.09 1wkh s ALA 136 Cb 0.04 -1.47 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 1wkh s ALA 136 CO 0.13 0.66 1.23 -1.33 0.00 0.00 0.00 175.76 176.45 1wkh n MET 137 N 1.36 1.57 -1.00 0.00 2.81 0.45 -0.91 117.12 121.41 1wkh n MET 137 Ca -0.14 0.57 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 1wkh n MET 137 Cb 0.53 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.64 1wkh n MET 137 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1wkh n ARG 138 N -0.64 -0.99 -2.75 0.03 1.74 -1.26 -4.45 116.66 108.34 1wkh n ARG 138 Ca 0.10 0.25 -0.32 0.00 -0.77 0.00 0.00 57.85 57.11 1wkh n ARG 138 Cb 0.43 -4.00 -0.05 0.00 -1.02 0.00 0.00 32.46 27.83 1wkh n ARG 138 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1wkh s GLY 139 N -2.00 2.15 -0.04 -0.13 0.00 -0.08 -3.69 107.32 103.53 1wkh s GLY 139 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.85 1wkh s GLY 139 CO 0.00 0.34 -0.11 -0.12 0.00 0.00 0.00 173.10 173.21 1wkh s PHE 140 N -2.34 1.19 0.00 1.90 5.36 -1.26 -2.04 117.98 120.79 1wkh s PHE 140 Ca 0.57 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 56.19 1wkh s PHE 140 Cb -0.10 -0.85 0.00 0.00 -0.34 0.00 0.00 43.02 41.73 1wkh s PHE 140 CO 0.25 -0.15 0.08 0.43 -1.46 0.00 0.00 175.22 174.36 1wkh n SER 141 N 3.40 0.15 0.00 6.13 7.64 -1.26 -4.96 113.62 124.73 1wkh n SER 141 Ca -0.20 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1wkh n SER 141 Cb 0.53 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1wkh n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wkh n GLY 142 N 0.18 2.97 0.01 0.23 0.00 -1.26 -4.36 105.19 102.97 1wkh n GLY 142 Ca 0.00 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.28 1wkh n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wkh n ARG 143 N -1.73 0.58 -2.10 1.61 5.12 -1.26 -3.14 116.66 115.74 1wkh n ARG 143 Ca 0.00 -0.17 -0.36 0.00 -1.93 0.00 0.00 57.85 55.40 1wkh n ARG 143 Cb 0.00 -1.53 0.02 0.00 -1.16 0.00 0.00 32.46 29.80 1wkh n ARG 143 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1wkh s THR 144 N -3.45 2.80 0.51 0.55 -4.23 -1.26 -4.61 115.64 105.95 1wkh s THR 144 Ca -0.06 0.50 0.31 0.00 -1.18 0.00 0.00 61.69 61.26 1wkh s THR 144 Cb 0.14 -3.21 0.49 0.00 1.34 0.00 0.00 72.50 71.26 1wkh s THR 144 CO 0.90 -0.10 1.84 0.24 -0.54 0.00 0.00 174.62 176.96 1wkh h MET 145 N 1.03 0.08 0.50 3.99 0.00 -1.97 0.34 114.93 118.90 1wkh h MET 145 Ca -0.50 -0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.17 1wkh h MET 145 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.87 1wkh h MET 145 CO 0.56 0.05 -0.24 0.78 0.00 0.00 0.00 176.91 178.06 1wkh h GLY 146 N 0.08 -0.69 1.89 8.32 0.00 -1.96 -2.36 103.07 108.35 1wkh h GLY 146 Ca 0.50 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 48.07 1wkh h GLY 146 CO -0.05 -0.25 -0.01 1.76 0.00 0.00 0.00 176.54 177.98 1wkh h SER 147 N -1.13 0.13 0.28 0.19 0.02 -1.72 -1.47 113.55 109.86 1wkh h SER 147 Ca -0.07 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1wkh h SER 147 Cb 0.56 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1wkh h SER 147 CO 0.11 0.17 -0.31 0.25 -1.14 0.00 0.00 176.83 175.92 1wkh h LEU 148 N 0.15 0.04 -1.87 5.07 5.85 -0.28 -2.53 115.31 121.74 1wkh h LEU 148 Ca 0.04 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1wkh h LEU 148 Cb 0.12 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1wkh h LEU 148 CO 0.00 0.35 -0.13 0.28 -0.34 0.00 0.00 178.44 178.60 1wkh h SER 149 N 0.04 0.00 -0.55 1.25 0.02 -0.70 -2.23 113.55 111.39 1wkh h SER 149 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wkh h SER 149 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1wkh h SER 149 CO 0.04 0.13 0.00 1.33 -1.14 0.00 0.00 176.83 177.19 1wkh n VAL 150 N -3.90 0.89 -3.59 2.27 0.24 -0.97 -4.88 118.33 108.39 1wkh n VAL 150 Ca -0.02 -0.95 -0.37 0.00 -2.04 0.00 0.00 64.34 60.96 1wkh n VAL 150 Cb 0.23 0.60 -0.10 0.00 -1.47 0.00 0.00 33.84 33.10 1wkh n VAL 150 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wkh s THR 151 N -1.07 5.31 0.01 3.34 2.01 -0.84 -4.67 115.64 119.73 1wkh s THR 151 Ca 0.39 0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.59 1wkh s THR 151 Cb 0.21 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 1wkh s THR 151 CO 0.27 0.29 1.10 -0.25 -0.69 0.00 0.00 174.62 175.34 1wkh h TRP 152 N 7.83 -0.22 0.00 4.92 2.91 -1.66 -3.44 115.95 126.29 1wkh h TRP 152 Ca -0.36 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.60 1wkh h TRP 152 Cb 1.17 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 1wkh h TRP 152 CO 0.71 -0.13 0.20 -1.91 -1.03 0.00 0.00 178.44 176.28 1wkh n GLU 153 N -2.67 0.00 -0.22 2.65 4.07 -1.26 -4.71 120.64 118.51 1wkh n GLU 153 Ca -0.03 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.09 1wkh n GLU 153 Cb 0.09 -0.15 0.10 0.00 -0.06 0.00 0.00 31.44 31.42 1wkh n GLU 153 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1wkh h PRO 154 N 1.29 0.07 -0.11 5.31 0.11 -1.98 0.17 132.00 136.86 1wkh h PRO 154 Ca -0.00 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.13 1wkh h PRO 154 Cb 0.14 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 1wkh h PRO 154 CO 0.16 0.05 0.23 0.87 -0.21 0.00 0.00 178.00 179.10 1wkh h LYS 155 N 0.08 0.00 0.08 1.05 1.57 -2.00 0.26 116.57 117.61 1wkh h LYS 155 Ca 0.34 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.75 1wkh h LYS 155 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1wkh h LYS 155 CO -0.60 0.00 -2.09 0.66 -0.57 0.00 0.00 179.45 176.85 1wkh n TYR 156 N -3.34 0.92 -0.07 -1.35 0.53 0.52 -4.59 117.16 109.78 1wkh n TYR 156 Ca 0.00 0.21 -0.07 0.00 -1.02 0.00 0.00 57.90 57.02 1wkh n TYR 156 Cb 0.32 -1.13 -0.04 0.00 -1.03 0.00 0.00 39.34 37.46 1wkh n TYR 156 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1wkh h ARG 157 N 0.05 0.00 -0.48 -0.72 3.08 -0.69 -3.42 114.38 112.20 1wkh h ARG 157 Ca -0.45 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.64 1wkh h ARG 157 Cb 2.01 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 32.00 1wkh h ARG 157 CO 0.05 0.31 -0.28 -1.91 -1.07 0.00 0.00 179.97 177.06 1wkh n GLU 158 N -4.65 -0.21 0.11 0.04 0.00 0.87 -0.51 120.64 116.28 1wkh n GLU 158 Ca -0.08 0.83 0.06 0.00 0.00 0.00 0.00 57.16 57.96 1wkh n GLU 158 Cb 0.26 -1.23 0.30 0.00 0.00 0.00 0.00 31.44 30.77 1wkh n GLU 158 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 1wkh n PRO 159 N -4.33 0.07 0.00 5.31 -0.02 -1.26 -1.98 135.00 132.79 1wkh n PRO 159 Ca 0.01 0.53 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 1wkh n PRO 159 Cb 0.12 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1wkh n PRO 159 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1wkh n PHE 160 N -1.88 0.00 -0.99 6.00 3.72 0.34 -5.02 117.46 119.63 1wkh n PHE 160 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 1wkh n PHE 160 Cb 0.16 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.84 1wkh n PHE 160 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wkh s LEU 161 N -2.05 3.04 0.55 4.37 1.43 -0.84 -4.50 118.68 120.68 1wkh s LEU 161 Ca 0.06 2.30 -0.17 0.00 -1.03 0.00 0.00 54.13 55.29 1wkh s LEU 161 Cb 0.08 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 1wkh s LEU 161 CO 0.33 -2.80 1.03 -2.16 0.23 0.00 0.00 176.35 172.99 1wkh s PRO 162 N -4.32 3.58 0.00 1.29 0.04 -1.26 -5.09 135.00 129.24 1wkh s PRO 162 Ca 0.71 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1wkh s PRO 162 Cb -0.26 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1wkh s PRO 162 CO 0.53 -0.59 0.00 1.28 0.04 0.00 0.00 177.00 178.26 1wkh n LEU 163 N -1.70 0.00 -4.72 -3.56 4.77 -1.26 -5.09 117.00 105.44 1wkh n LEU 163 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1wkh n LEU 163 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1wkh n LEU 163 CO 0.45 0.00 0.68 -0.69 -1.33 0.00 0.00 177.39 176.51 1wkh s VAL 164 N 2.41 4.68 0.18 4.08 1.01 -1.26 -5.04 120.40 126.47 1wkh s VAL 164 Ca 0.00 2.03 0.06 0.00 0.00 0.00 0.00 61.98 64.07 1wkh s VAL 164 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1wkh s VAL 164 CO 0.00 0.22 -0.12 -1.61 0.00 0.00 0.00 175.10 173.59 1wkh s GLU 165 N 0.61 1.21 0.17 2.72 2.02 -1.26 -4.49 118.70 119.68 1wkh s GLU 165 Ca 0.50 -1.53 -0.04 0.00 0.02 0.00 0.00 54.97 53.92 1wkh s GLU 165 Cb -0.22 -0.87 -0.05 0.00 0.10 0.00 0.00 34.13 33.08 1wkh s GLU 165 CO 0.29 0.12 0.40 -1.25 0.02 0.00 0.00 175.26 174.84 1wkh s PRO 166 N -3.70 3.61 -0.06 0.39 0.04 -1.26 -4.88 135.00 129.13 1wkh s PRO 166 Ca 0.20 -0.11 0.01 0.00 0.04 0.00 0.00 61.00 61.14 1wkh s PRO 166 Cb 0.01 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.75 1wkh s PRO 166 CO 0.04 0.43 -0.06 0.08 0.04 0.00 0.00 177.00 177.53 1wkh s VAL 167 N -1.74 0.71 -0.08 -0.36 1.01 -1.26 -2.20 120.40 116.48 1wkh s VAL 167 Ca 0.41 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1wkh s VAL 167 Cb -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1wkh s VAL 167 CO 0.26 0.28 -0.18 -0.70 0.00 0.00 0.00 175.10 174.76 1wkh s GLU 168 N 1.16 2.84 -0.01 2.72 2.12 -0.03 -4.99 118.70 122.52 1wkh s GLU 168 Ca -0.07 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.50 1wkh s GLU 168 Cb -0.14 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1wkh s GLU 168 CO -0.01 0.38 0.02 -0.06 -0.54 0.00 0.00 175.26 175.05 1wkh s PHE 169 N -0.12 3.14 0.21 5.30 0.40 -1.26 -1.55 117.98 124.09 1wkh s PHE 169 Ca -0.03 0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.48 1wkh s PHE 169 Cb -0.14 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.65 1wkh s PHE 169 CO 0.04 0.49 -0.09 0.96 0.70 0.00 0.00 175.22 177.32 1wkh s ILE 170 N -1.10 1.42 0.31 0.64 -4.36 -0.70 -4.89 121.20 112.52 1wkh s ILE 170 Ca 0.20 -2.12 -0.29 0.00 -0.26 0.00 0.00 60.65 58.18 1wkh s ILE 170 Cb -0.12 -2.12 -0.10 0.00 1.25 0.00 0.00 42.46 41.37 1wkh s ILE 170 CO 0.11 -0.53 1.23 -2.84 0.24 0.00 0.00 174.94 173.15 1wkh s PRO 171 N -3.73 4.46 0.34 0.37 0.02 -1.26 -0.41 135.00 134.79 1wkh s PRO 171 Ca 0.23 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 1wkh s PRO 171 Cb 0.02 -3.12 -0.11 0.00 0.02 0.00 0.00 34.50 31.32 1wkh s PRO 171 CO 0.06 -0.04 1.45 -0.47 -0.33 0.00 0.00 177.00 177.67 1wkh s TYR 172 N -1.09 2.79 0.00 6.54 5.04 -1.26 -2.16 117.35 127.20 1wkh s TYR 172 Ca 0.48 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 1wkh s TYR 172 Cb -0.37 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.03 1wkh s TYR 172 CO 0.48 -2.74 0.00 0.09 -1.34 0.00 0.00 175.55 172.04 1wkh n ASN 173 N 1.05 -3.58 -4.46 4.32 3.02 -1.26 -4.98 115.26 109.37 1wkh n ASN 173 Ca 0.03 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.14 1wkh n ASN 173 Cb 0.40 -1.71 -0.06 0.00 -0.61 0.00 0.00 39.78 37.79 1wkh n ASN 173 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wkh s ASP 174 N -2.10 6.25 0.03 6.41 -1.08 -0.92 -4.80 116.67 120.46 1wkh s ASP 174 Ca 0.00 -0.80 -0.29 0.00 -0.52 0.00 0.00 52.55 50.94 1wkh s ASP 174 Cb 0.00 -2.31 -0.16 0.00 -1.46 0.00 0.00 42.92 38.99 1wkh s ASP 174 CO 0.00 -0.94 1.29 0.58 0.52 0.00 0.00 175.17 176.62 1wkh h VAL 175 N 5.89 0.00 -0.94 1.11 2.07 -1.93 -2.48 116.25 119.97 1wkh h VAL 175 Ca -0.27 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.22 1wkh h VAL 175 Cb 1.09 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1wkh h VAL 175 CO 0.98 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 178.85 1wkh h GLU 176 N -1.16 0.95 -0.56 1.57 3.07 -1.99 -1.32 114.58 115.12 1wkh h GLU 176 Ca -0.11 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 1wkh h GLU 176 Cb 0.79 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 1wkh h GLU 176 CO 0.17 0.63 0.26 0.00 -1.40 0.00 0.00 179.01 178.67 1wkh h ALA 177 N 1.53 0.73 -0.42 3.43 0.00 -1.95 -1.69 119.26 120.88 1wkh h ALA 177 Ca 0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1wkh h ALA 177 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1wkh h ALA 177 CO -0.19 0.30 0.14 1.25 0.00 0.00 0.00 179.25 180.75 1wkh h LEU 178 N 0.76 0.61 -0.56 0.00 5.85 -0.88 -2.42 115.31 118.67 1wkh h LEU 178 Ca 0.19 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1wkh h LEU 178 Cb 0.14 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1wkh h LEU 178 CO -0.02 0.65 0.33 0.11 -0.34 0.00 0.00 178.44 179.17 1wkh h LYS 179 N 0.54 0.63 0.00 1.25 6.56 -0.98 -1.40 116.57 123.17 1wkh h LYS 179 Ca 0.14 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.64 1wkh h LYS 179 Cb 0.25 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1wkh h LYS 179 CO -0.01 0.42 -0.23 0.07 -2.06 0.00 0.00 179.45 177.64 1wkh h ARG 180 N 0.65 0.00 0.00 3.15 -0.00 -1.19 -3.16 114.38 113.83 1wkh h ARG 180 Ca 0.23 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.98 1wkh h ARG 180 Cb 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 29.98 1wkh h ARG 180 CO -0.11 0.23 -1.32 0.00 -0.00 0.00 0.00 179.97 178.77 1wkh h ALA 181 N 1.77 0.61 -2.12 0.08 0.00 -0.86 -3.44 119.26 115.30 1wkh h ALA 181 Ca -0.00 -1.11 -0.61 0.00 0.00 0.00 0.00 54.91 53.19 1wkh h ALA 181 Cb 0.54 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1wkh h ALA 181 CO 0.03 1.30 0.42 0.08 0.00 0.00 0.00 179.25 181.08 1wkh s VAL 182 N -2.71 4.68 0.04 0.00 1.01 -0.60 -4.94 120.40 117.88 1wkh s VAL 182 Ca -0.02 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1wkh s VAL 182 Cb 0.09 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1wkh s VAL 182 CO 0.81 -0.53 0.02 -0.90 0.00 0.00 0.00 175.10 174.50 1wkh n ASP 183 N 6.58 0.80 0.00 3.32 3.85 -1.26 -4.93 116.55 124.90 1wkh n ASP 183 Ca 0.04 -1.23 0.04 0.00 -0.71 0.00 0.00 54.79 52.93 1wkh n ASP 183 Cb 0.48 0.12 0.24 0.00 -1.35 0.00 0.00 41.12 40.61 1wkh n ASP 183 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1wkh n GLU 184 N -0.09 0.32 -0.06 0.11 4.07 -1.26 -1.23 120.64 122.50 1wkh n GLU 184 Ca -0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 1wkh n GLU 184 Cb 0.06 -1.40 0.05 0.00 -0.06 0.00 0.00 31.44 30.10 1wkh n GLU 184 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1wkh n GLU 185 N -0.90 2.26 -3.05 5.31 1.02 -1.26 -4.98 120.64 119.05 1wkh n GLU 185 Ca 0.06 -1.52 -0.41 0.00 -0.02 0.00 0.00 57.16 55.27 1wkh n GLU 185 Cb 0.03 -1.10 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 1wkh n GLU 185 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wkh s THR 186 N -0.87 4.90 0.12 2.62 2.01 -0.37 -3.08 115.64 120.97 1wkh s THR 186 Ca 0.08 1.08 -0.10 0.00 0.31 0.00 0.00 61.69 63.07 1wkh s THR 186 Cb 0.05 -4.03 -0.14 0.00 0.01 0.00 0.00 72.50 68.39 1wkh s THR 186 CO 0.06 -0.12 1.35 0.00 -0.69 0.00 0.00 174.62 175.22 1wkh h ALA 187 N 8.04 0.39 -1.47 7.40 0.00 -0.95 -3.38 119.26 129.30 1wkh h ALA 187 Ca -0.26 -0.59 0.22 0.00 0.00 0.00 0.00 54.91 54.28 1wkh h ALA 187 Cb 1.11 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.66 1wkh h ALA 187 CO 0.82 0.70 0.78 0.00 0.00 0.00 0.00 179.25 181.55 1wkh s ALA 188 N -3.79 -2.05 -0.10 0.00 0.00 -1.16 -2.26 121.76 112.42 1wkh s ALA 188 Ca -0.09 1.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.47 1wkh s ALA 188 Cb 0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1wkh s ALA 188 CO 0.89 -0.50 -0.04 0.08 0.00 0.00 0.00 175.76 176.18 1wkh s VAL 189 N -2.05 3.89 -0.15 0.00 1.01 0.05 -1.42 120.40 121.73 1wkh s VAL 189 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1wkh s VAL 189 Cb -0.01 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.77 1wkh s VAL 189 CO -0.05 0.57 -0.11 -0.51 0.00 0.00 0.00 175.10 175.00 1wkh s ILE 190 N -0.51 1.41 0.04 2.22 2.07 0.34 -0.21 121.20 126.57 1wkh s ILE 190 Ca 0.08 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 1wkh s ILE 190 Cb -0.12 -1.39 -0.03 0.00 0.13 0.00 0.00 42.46 41.06 1wkh s ILE 190 CO 0.02 0.37 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.62 1wkh s LEU 191 N 1.54 2.34 -0.14 8.50 1.43 -0.27 -4.13 118.68 127.96 1wkh s LEU 191 Ca 0.04 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.34 1wkh s LEU 191 Cb -0.13 0.05 -0.05 0.00 0.03 0.00 0.00 46.19 46.09 1wkh s LEU 191 CO -0.10 -0.38 0.18 -1.61 0.23 0.00 0.00 176.35 174.67 1wkh s GLU 192 N -2.41 3.78 0.48 1.70 2.02 -1.26 0.53 118.70 123.54 1wkh s GLU 192 Ca -0.05 -0.08 0.19 0.00 0.02 0.00 0.00 54.97 55.05 1wkh s GLU 192 Cb -0.03 -3.28 1.20 0.00 0.10 0.00 0.00 34.13 32.12 1wkh s GLU 192 CO -0.04 0.58 2.04 -1.35 0.02 0.00 0.00 175.26 176.52 1wkh h PRO 193 N 5.61 0.00 -2.47 0.39 0.11 -1.95 -3.38 132.00 130.30 1wkh h PRO 193 Ca -0.49 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.31 1wkh h PRO 193 Cb 1.20 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.96 1wkh h PRO 193 CO 0.65 0.14 -0.61 0.08 -0.21 0.00 0.00 178.00 178.05 1wkh s VAL 194 N -4.55 -0.35 0.20 3.15 1.01 -1.26 -1.12 120.40 117.49 1wkh s VAL 194 Ca -0.04 -0.11 -0.32 0.00 0.00 0.00 0.00 61.98 61.51 1wkh s VAL 194 Cb 0.15 -0.69 -0.12 0.00 0.00 0.00 0.00 36.38 35.72 1wkh s VAL 194 CO 0.65 -0.20 1.73 -1.10 0.00 0.00 0.00 175.10 176.18 1wkh s GLN 195 N 2.34 4.12 0.00 2.72 -0.21 -0.82 -4.80 119.66 123.02 1wkh s GLN 195 Ca 0.07 2.61 0.00 0.00 0.02 0.00 0.00 55.36 58.06 1wkh s GLN 195 Cb -0.16 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.75 1wkh s GLN 195 CO -0.12 -0.76 0.00 0.41 -2.12 0.00 0.00 175.29 172.70 1wkh n GLY 196 N 4.00 0.49 0.33 3.09 0.00 -1.26 -1.69 105.19 110.15 1wkh n GLY 196 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1wkh n GLY 196 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wkh h GLU 197 N 0.00 0.37 0.00 1.61 4.39 -1.92 -1.51 114.58 117.53 1wkh h GLU 197 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wkh h GLU 197 Cb 0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1wkh h GLU 197 CO 0.00 0.24 0.00 0.41 -1.16 0.00 0.00 179.01 178.50 1wkh n GLY 198 N -1.51 -0.27 0.00 -3.84 0.00 -1.24 -3.75 105.19 94.57 1wkh n GLY 198 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1wkh n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 199 N -0.35 1.66 3.10 -0.02 0.00 -0.76 -4.79 105.19 104.02 1wkh n GLY 199 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1wkh n GLY 199 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wkh n VAL 200 N -1.06 -7.94 -3.90 1.61 0.31 -0.64 -4.84 118.33 101.86 1wkh n VAL 200 Ca 0.00 0.68 -0.29 0.00 -0.01 0.00 0.00 64.34 64.72 1wkh n VAL 200 Cb 0.00 -5.59 -0.16 0.00 -0.91 0.00 0.00 33.84 27.18 1wkh n VAL 200 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1wkh s ARG 201 N -2.31 1.48 0.46 5.55 0.52 -0.89 -4.53 118.95 119.23 1wkh s ARG 201 Ca 0.25 -0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 54.48 1wkh s ARG 201 Cb -0.05 -2.33 -0.07 0.00 0.52 0.00 0.00 34.95 33.03 1wkh s ARG 201 CO 0.75 -0.53 1.20 -2.14 0.02 0.00 0.00 175.30 174.60 1wkh s PRO 202 N 1.53 3.71 0.64 3.54 0.02 -1.26 -1.94 135.00 141.24 1wkh s PRO 202 Ca -0.03 1.87 -0.11 0.00 0.02 0.00 0.00 61.00 62.75 1wkh s PRO 202 Cb -0.17 -2.43 -0.02 0.00 0.02 0.00 0.00 34.50 31.89 1wkh s PRO 202 CO -0.07 -0.62 1.04 0.00 -0.33 0.00 0.00 177.00 177.02 1wkh s ALA 203 N -1.48 2.91 0.25 -1.55 0.00 -0.27 -4.95 121.76 116.67 1wkh s ALA 203 Ca 0.64 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.65 1wkh s ALA 203 Cb -0.31 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1wkh s ALA 203 CO 0.38 -0.89 0.39 0.95 0.00 0.00 0.00 175.76 176.59 1wkh s THR 204 N -3.07 5.23 0.23 0.00 -4.23 -1.26 -5.00 115.64 107.55 1wkh s THR 204 Ca 0.57 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 60.17 1wkh s THR 204 Cb -0.12 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 70.08 1wkh s THR 204 CO 0.52 -0.35 1.87 -0.65 -0.54 0.00 0.00 174.62 175.48 1wkh h PRO 205 N 1.20 1.25 -0.31 3.99 0.11 -1.96 -2.71 132.00 133.56 1wkh h PRO 205 Ca -0.51 -0.13 0.01 0.00 0.11 0.00 0.00 66.00 65.49 1wkh h PRO 205 Cb 1.22 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1wkh h PRO 205 CO 0.62 0.89 0.18 0.93 -0.21 0.00 0.00 178.00 180.41 1wkh h GLU 206 N 1.26 0.35 0.03 1.05 3.07 -1.98 -1.25 114.58 117.11 1wkh h GLU 206 Ca 0.32 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1wkh h GLU 206 Cb -0.02 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 1wkh h GLU 206 CO -0.06 0.23 -0.01 0.35 -1.40 0.00 0.00 179.01 178.12 1wkh h PHE 207 N 0.36 -0.03 -0.28 4.33 3.57 -1.82 0.13 116.94 123.20 1wkh h PHE 207 Ca 0.13 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1wkh h PHE 207 Cb 0.01 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1wkh h PHE 207 CO -0.08 0.03 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.69 1wkh h LEU 208 N -0.09 0.55 -0.46 0.59 3.38 -1.44 0.63 115.31 118.47 1wkh h LEU 208 Ca -0.00 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1wkh h LEU 208 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wkh h LEU 208 CO 0.01 0.81 -0.13 0.03 0.09 0.00 0.00 178.44 179.25 1wkh h ARG 209 N 0.48 0.90 -0.47 1.13 2.47 -1.12 -0.94 114.38 116.83 1wkh h ARG 209 Ca 0.07 -0.35 0.02 0.00 -1.26 0.00 0.00 59.98 58.45 1wkh h ARG 209 Cb 0.72 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.96 1wkh h ARG 209 CO 0.06 1.00 0.29 0.00 0.56 0.00 0.00 179.97 181.87 1wkh h ALA 210 N 0.87 0.60 -0.13 0.04 0.00 -0.31 -0.66 119.26 119.67 1wkh h ALA 210 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wkh h ALA 210 Cb 0.68 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1wkh h ALA 210 CO 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 179.25 179.33 1wkh h ALA 211 N 1.20 0.14 -0.54 0.00 0.00 -0.56 -0.53 119.26 118.98 1wkh h ALA 211 Ca 0.18 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1wkh h ALA 211 Cb -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1wkh h ALA 211 CO -0.07 -0.40 0.30 -0.09 0.00 0.00 0.00 179.25 178.98 1wkh h ARG 212 N 0.11 0.57 -0.02 0.00 9.65 -0.79 -2.45 114.38 121.45 1wkh h ARG 212 Ca 0.06 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1wkh h ARG 212 Cb 0.03 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1wkh h ARG 212 CO -0.06 0.38 -0.02 0.93 2.80 0.00 0.00 179.97 183.99 1wkh h GLU 213 N 0.59 0.05 -0.16 0.20 4.39 -0.86 -2.96 114.58 115.82 1wkh h GLU 213 Ca 0.23 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 1wkh h GLU 213 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1wkh h GLU 213 CO -0.13 0.54 -0.23 0.97 -1.16 0.00 0.00 179.01 178.99 1wkh h ILE 214 N -0.44 1.24 -0.36 3.13 6.09 -1.13 -1.02 117.51 125.01 1wkh h ILE 214 Ca 0.00 -1.10 -0.14 0.00 -1.37 0.00 0.00 64.86 62.25 1wkh h ILE 214 Cb 0.53 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 39.19 1wkh h ILE 214 CO 0.01 0.34 -0.34 0.71 -3.07 0.00 0.00 178.15 175.79 1wkh h THR 215 N 0.26 1.28 -0.06 2.19 1.35 -1.52 -2.01 112.91 114.40 1wkh h THR 215 Ca 0.04 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 1wkh h THR 215 Cb 0.56 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1wkh h THR 215 CO 0.04 0.50 -0.01 1.56 -0.25 0.00 0.00 175.52 177.36 1wkh h GLN 216 N 0.69 0.11 -0.99 4.72 4.20 -1.31 0.23 115.11 122.76 1wkh h GLN 216 Ca 0.07 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.81 1wkh h GLN 216 Cb 0.90 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.61 1wkh h GLN 216 CO 0.08 0.44 0.64 0.93 -0.67 0.00 0.00 178.83 180.25 1wkh h GLU 217 N -0.22 1.10 -0.01 1.46 5.08 -1.17 -2.66 114.58 118.15 1wkh h GLU 217 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1wkh h GLU 217 Cb 0.40 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1wkh h GLU 217 CO 0.01 0.73 -0.03 1.63 -1.00 0.00 0.00 179.01 180.34 1wkh n LYS 218 N -4.53 1.56 -1.11 2.33 4.76 -0.76 -4.94 118.16 115.47 1wkh n LYS 218 Ca 0.16 -0.92 -0.04 0.00 -2.87 0.00 0.00 58.31 54.64 1wkh n LYS 218 Cb 0.21 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 1wkh n LYS 218 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wkh n GLY 219 N 1.20 0.67 3.96 0.72 0.00 -0.74 -4.46 105.19 106.54 1wkh n GLY 219 Ca 0.18 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1wkh n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkh s ALA 220 N -2.14 3.88 0.06 4.61 0.00 0.73 -4.95 121.76 123.95 1wkh s ALA 220 Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1wkh s ALA 220 Cb 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1wkh s ALA 220 CO 0.00 0.27 0.29 -0.51 0.00 0.00 0.00 175.76 175.80 1wkh s LEU 221 N -3.83 4.34 -0.24 0.00 1.43 -0.96 -4.17 118.68 115.25 1wkh s LEU 221 Ca 0.36 0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.90 1wkh s LEU 221 Cb -0.10 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 1wkh s LEU 221 CO 0.30 0.18 0.06 -0.22 0.23 0.00 0.00 176.35 176.91 1wkh s LEU 222 N -2.15 3.46 -0.24 1.79 2.96 -1.26 -0.77 118.68 122.46 1wkh s LEU 222 Ca 0.33 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1wkh s LEU 222 Cb -0.13 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 1wkh s LEU 222 CO 0.21 -0.01 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.59 1wkh s ILE 223 N 1.47 3.56 -0.28 6.68 1.01 0.71 -0.97 121.20 133.39 1wkh s ILE 223 Ca 0.06 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 1wkh s ILE 223 Cb -0.15 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1wkh s ILE 223 CO 0.03 0.33 0.11 -0.76 0.00 0.00 0.00 174.94 174.65 1wkh s LEU 224 N 1.49 3.73 -0.61 2.97 1.43 -0.99 -1.11 118.68 125.59 1wkh s LEU 224 Ca 0.05 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.57 1wkh s LEU 224 Cb -0.15 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.16 1wkh s LEU 224 CO -0.01 -0.10 0.98 -0.62 0.23 0.00 0.00 176.35 176.83 1wkh s ASP 225 N 1.61 6.25 -0.28 2.29 -1.08 0.19 -2.74 116.67 122.91 1wkh s ASP 225 Ca 0.05 -0.62 0.09 0.00 -0.52 0.00 0.00 52.55 51.55 1wkh s ASP 225 Cb -0.16 -2.44 0.49 0.00 -1.46 0.00 0.00 42.92 39.35 1wkh s ASP 225 CO 0.05 -1.37 1.41 -0.62 0.52 0.00 0.00 175.17 175.16 1wkh n GLU 226 N 7.75 1.87 0.11 4.34 1.02 -0.62 -4.08 120.64 131.02 1wkh n GLU 226 Ca -0.00 -3.27 0.03 0.00 -0.02 0.00 0.00 57.16 53.89 1wkh n GLU 226 Cb 0.47 -1.81 0.40 0.00 -0.02 0.00 0.00 31.44 30.48 1wkh n GLU 226 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1wkh h ILE 227 N 1.05 1.16 0.00 -3.67 2.04 -1.83 -0.78 117.51 115.48 1wkh h ILE 227 Ca 0.19 -0.69 -0.35 0.00 1.00 0.00 0.00 64.86 65.01 1wkh h ILE 227 Cb 1.51 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.65 1wkh h ILE 227 CO 0.35 0.22 -2.34 1.67 0.00 0.00 0.00 178.15 178.04 1wkh n GLN 228 N -4.31 0.59 0.00 2.37 -0.06 -1.26 -4.00 117.38 110.71 1wkh n GLN 228 Ca -0.00 0.13 0.14 0.00 -2.00 0.00 0.00 57.00 55.27 1wkh n GLN 228 Cb 0.24 -1.47 0.53 0.00 -4.06 0.00 0.00 30.24 25.48 1wkh n GLN 228 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1wkh n THR 229 N -3.19 0.00 -1.74 1.69 -2.24 -1.23 -4.85 114.28 102.72 1wkh n THR 229 Ca -0.42 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.06 1wkh n THR 229 Cb 0.95 -0.24 0.20 0.00 -2.10 0.00 0.00 70.33 69.13 1wkh n THR 229 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wkh s GLY 230 N -2.89 1.74 -1.24 3.38 0.00 -0.30 -3.66 107.32 104.36 1wkh s GLY 230 Ca 0.17 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 1wkh s GLY 230 CO 0.56 -0.36 0.94 1.03 0.00 0.00 0.00 173.10 175.27 1wkh n MET 231 N -4.00 -6.27 -1.22 2.90 2.81 -1.02 -3.06 117.12 107.26 1wkh n MET 231 Ca 0.15 0.79 -0.08 0.00 -1.81 0.00 0.00 57.70 56.75 1wkh n MET 231 Cb 0.59 -5.70 -0.03 0.00 -0.71 0.00 0.00 33.22 27.37 1wkh n MET 231 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wkh n GLY 232 N -1.28 0.88 0.22 3.03 0.00 0.20 -4.88 105.19 103.36 1wkh n GLY 232 Ca -0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 1wkh n GLY 232 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wkh h ARG 233 N 0.15 0.30 -0.44 1.61 9.65 -1.61 -3.28 114.38 120.78 1wkh h ARG 233 Ca -0.16 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1wkh h ARG 233 Cb 0.78 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1wkh h ARG 233 CO 0.23 0.58 0.00 0.25 2.80 0.00 0.00 179.97 183.83 1wkh n THR 234 N -4.11 0.59 0.00 0.20 -2.24 -1.25 -0.90 114.28 106.57 1wkh n THR 234 Ca -0.01 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1wkh n THR 234 Cb 0.41 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1wkh n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkh n GLY 235 N 1.48 2.26 3.24 3.38 0.00 -1.24 -2.56 105.19 111.76 1wkh n GLY 235 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1wkh n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wkh s LYS 236 N -0.12 1.12 0.20 1.61 1.02 -1.26 -4.43 119.74 117.89 1wkh s LYS 236 Ca 0.00 -1.54 -0.20 0.00 0.02 0.00 0.00 55.97 54.25 1wkh s LYS 236 Cb 0.00 -0.27 0.16 0.00 -0.52 0.00 0.00 37.83 37.20 1wkh s LYS 236 CO 0.00 -0.13 1.57 -0.09 -0.92 0.00 0.00 175.35 175.78 1wkh h ARG 237 N 2.68 -0.09 -4.72 1.68 2.43 -1.93 -3.21 114.38 111.22 1wkh h ARG 237 Ca -0.37 0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 58.46 1wkh h ARG 237 Cb 1.21 0.02 -0.25 0.00 -0.42 0.00 0.00 29.97 30.53 1wkh h ARG 237 CO 0.63 -0.06 -0.76 -0.06 -1.51 0.00 0.00 179.97 178.20 1wkh s PHE 238 N -5.96 0.78 0.50 2.20 0.40 -1.26 -0.63 117.98 114.02 1wkh s PHE 238 Ca -0.14 -0.30 0.18 0.00 -0.60 0.00 0.00 56.93 56.07 1wkh s PHE 238 Cb 0.18 -0.48 1.25 0.00 0.51 0.00 0.00 43.02 44.48 1wkh s PHE 238 CO 0.70 -0.02 2.07 0.00 0.70 0.00 0.00 175.22 178.66 1wkh h ALA 239 N 5.22 2.16 0.00 5.36 0.00 -1.79 -1.65 119.26 128.56 1wkh h ALA 239 Ca -0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1wkh h ALA 239 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wkh h ALA 239 CO 0.45 -0.23 -0.05 0.27 0.00 0.00 0.00 179.25 179.69 1wkh h PHE 240 N 0.10 0.00 0.00 0.00 -5.15 -1.96 -1.78 116.94 108.15 1wkh h PHE 240 Ca 0.14 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.89 1wkh h PHE 240 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.60 1wkh h PHE 240 CO -0.00 0.05 -0.08 0.93 -2.00 0.00 0.00 178.31 177.20 1wkh h GLU 241 N 0.00 0.00 0.00 6.09 5.08 -1.58 -0.35 114.58 123.82 1wkh h GLU 241 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wkh h GLU 241 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wkh h GLU 241 CO 0.01 0.08 -0.07 1.25 -1.00 0.00 0.00 179.01 179.28 1wkh h HIS 242 N 0.00 0.00 -0.00 4.33 2.76 -1.49 -3.31 115.15 117.44 1wkh h HIS 242 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1wkh h HIS 242 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1wkh h HIS 242 CO 0.00 0.00 -0.61 1.19 -1.30 0.00 0.00 177.93 177.21 1wkh n PHE 243 N -2.41 0.00 -2.53 5.26 3.01 -0.21 -5.01 117.46 115.57 1wkh n PHE 243 Ca 0.05 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.35 1wkh n PHE 243 Cb 0.45 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.93 1wkh n PHE 243 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wkh n GLY 244 N 1.31 -0.25 3.22 1.37 0.00 -0.79 -4.89 105.19 105.16 1wkh n GLY 244 Ca 0.04 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1wkh n GLY 244 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wkh s ILE 245 N -2.88 1.27 -0.20 -0.61 -4.36 -1.24 -5.10 121.20 108.07 1wkh s ILE 245 Ca 0.10 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 1wkh s ILE 245 Cb -0.04 -1.42 0.02 0.00 1.25 0.00 0.00 42.46 42.27 1wkh s ILE 245 CO 0.12 -0.37 -0.15 -0.69 0.24 0.00 0.00 174.94 174.09 1wkh s VAL 246 N -1.94 2.34 1.06 8.37 1.01 -1.26 -4.74 120.40 125.24 1wkh s VAL 246 Ca 0.06 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1wkh s VAL 246 Cb -0.06 -2.06 0.26 0.00 0.00 0.00 0.00 36.38 34.52 1wkh s VAL 246 CO 0.03 0.43 0.97 -0.81 0.00 0.00 0.00 175.10 175.72 1wkh n PRO 247 N 4.63 -2.76 -0.07 2.72 -0.04 -1.26 -4.98 135.00 133.24 1wkh n PRO 247 Ca -0.19 -1.55 -0.10 0.00 -0.04 0.00 0.00 63.50 61.62 1wkh n PRO 247 Cb 0.49 -1.42 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 1wkh n PRO 247 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wkh n ASP 248 N -4.58 0.34 -3.79 3.54 9.92 -0.14 -4.89 116.55 116.95 1wkh n ASP 248 Ca 0.13 0.14 -0.15 0.00 -0.53 0.00 0.00 54.79 54.39 1wkh n ASP 248 Cb 0.51 0.60 -0.16 0.00 -0.64 0.00 0.00 41.12 41.44 1wkh n ASP 248 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wkh s ILE 249 N -2.53 -0.03 -0.17 0.53 1.01 -0.99 -2.12 121.20 116.91 1wkh s ILE 249 Ca -0.09 0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.73 1wkh s ILE 249 Cb 0.07 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.46 1wkh s ILE 249 CO 0.82 0.08 -0.15 -0.22 0.00 0.00 0.00 174.94 175.47 1wkh s LEU 250 N 0.86 2.47 -0.15 2.97 2.96 0.22 -2.33 118.68 125.68 1wkh s LEU 250 Ca -0.07 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1wkh s LEU 250 Cb -0.10 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1wkh s LEU 250 CO -0.02 0.05 0.02 0.42 -1.32 0.00 0.00 176.35 175.50 1wkh s THR 251 N 0.99 4.39 0.17 3.68 -4.23 -1.11 -0.31 115.64 119.23 1wkh s THR 251 Ca -0.02 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1wkh s THR 251 Cb -0.15 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.72 1wkh s THR 251 CO -0.03 0.51 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.78 1wkh s LEU 252 N 0.00 2.24 0.00 4.79 1.43 0.62 -1.59 118.68 126.16 1wkh s LEU 252 Ca 0.04 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1wkh s LEU 252 Cb -0.13 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.97 1wkh s LEU 252 CO 0.02 -0.51 0.00 0.00 0.23 0.00 0.00 176.35 176.09 1wkh n ALA 253 N -0.23 0.00 -0.63 4.21 0.00 -1.26 -0.49 120.51 122.11 1wkh n ALA 253 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wkh n ALA 253 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1wkh n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wkh n LYS 254 N 0.00 0.00 0.00 0.00 4.76 -1.25 -1.66 118.16 120.01 1wkh n LYS 254 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1wkh n LYS 254 Cb 0.00 0.00 0.61 0.00 -1.84 0.00 0.00 35.03 33.80 1wkh n LYS 254 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wkh n ALA 255 N 7.92 2.27 -0.16 7.82 0.00 -1.23 -4.10 120.51 133.04 1wkh n ALA 255 Ca 0.00 -0.10 0.25 0.00 0.00 0.00 0.00 53.44 53.58 1wkh n ALA 255 Cb 0.00 -1.44 0.67 0.00 0.00 0.00 0.00 19.45 18.68 1wkh n ALA 255 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wkh h LEU 256 N 0.00 0.09 -2.93 0.00 5.85 -1.61 -0.20 115.31 116.51 1wkh h LEU 256 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1wkh h LEU 256 Cb 0.40 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1wkh h LEU 256 CO 0.00 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 1wkh n GLY 257 N -1.66 2.91 2.59 3.75 0.00 -1.26 -4.33 105.19 107.20 1wkh n GLY 257 Ca 0.17 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1wkh n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 258 N 0.50 1.83 0.00 -0.02 0.00 -0.09 -2.53 105.19 104.88 1wkh n GLY 258 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wkh n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 259 N -0.43 3.96 3.75 -0.02 0.00 -1.26 -4.94 105.19 106.25 1wkh n GLY 259 Ca -0.21 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1wkh n GLY 259 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wkh s VAL 260 N -0.01 2.98 -0.22 1.61 1.01 -1.05 -4.87 120.40 119.85 1wkh s VAL 260 Ca 0.00 0.87 -0.35 0.00 0.00 0.00 0.00 61.98 62.51 1wkh s VAL 260 Cb 0.00 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 1wkh s VAL 260 CO 0.00 0.16 2.01 -2.65 0.00 0.00 0.00 175.10 174.63 1wkh n PRO 261 N 1.87 1.65 -3.60 2.72 -0.02 -1.26 -4.33 135.00 132.03 1wkh n PRO 261 Ca 0.04 0.55 -0.15 0.00 -2.02 0.00 0.00 63.50 61.91 1wkh n PRO 261 Cb 0.42 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 1wkh n PRO 261 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wkh s LEU 262 N 5.64 -0.72 0.30 2.45 2.96 -1.25 -4.81 118.68 123.24 1wkh s LEU 262 Ca 1.00 1.27 -0.14 0.00 -0.22 0.00 0.00 54.13 56.03 1wkh s LEU 262 Cb -0.75 2.48 0.02 0.00 0.50 0.00 0.00 46.19 48.43 1wkh s LEU 262 CO 0.51 -0.34 0.61 -0.83 -1.32 0.00 0.00 176.35 174.98 1wkh s GLY 263 N -0.00 0.44 -0.08 7.98 0.00 -1.03 -3.82 107.32 110.81 1wkh s GLY 263 Ca -0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.62 1wkh s GLY 263 CO 0.03 -0.45 0.98 -1.34 0.00 0.00 0.00 173.10 172.32 1wkh s VAL 264 N -3.52 0.00 -0.18 1.40 -7.23 0.35 -0.77 120.40 110.45 1wkh s VAL 264 Ca 0.19 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 1wkh s VAL 264 Cb -0.03 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.94 1wkh s VAL 264 CO 0.10 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.79 1wkh s ALA 265 N -2.56 1.86 -0.16 1.32 0.00 -0.83 -0.28 121.76 121.11 1wkh s ALA 265 Ca 0.05 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 1wkh s ALA 265 Cb -0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1wkh s ALA 265 CO -0.06 -0.66 0.04 0.08 0.00 0.00 0.00 175.76 175.16 1wkh s VAL 266 N 1.47 4.60 0.18 0.00 1.01 0.58 -1.24 120.40 127.00 1wkh s VAL 266 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1wkh s VAL 266 Cb -0.15 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1wkh s VAL 266 CO -0.09 0.50 0.07 0.00 0.00 0.00 0.00 175.10 175.58 1wkh s MET 267 N 0.12 1.12 0.59 2.72 0.23 0.88 0.71 119.30 125.67 1wkh s MET 267 Ca 0.04 -1.57 -0.17 0.00 -1.03 0.00 0.00 55.69 52.96 1wkh s MET 267 Cb -0.12 0.04 -0.04 0.00 -1.53 0.00 0.00 34.83 33.18 1wkh s MET 267 CO 0.01 -0.27 1.08 1.03 -2.03 0.00 0.00 175.02 174.84 1wkh s ARG 268 N -4.04 3.26 0.25 3.16 0.52 -0.90 -1.47 118.95 119.73 1wkh s ARG 268 Ca 0.30 1.33 -0.03 0.00 -0.52 0.00 0.00 55.73 56.81 1wkh s ARG 268 Cb 0.07 -2.02 0.44 0.00 0.52 0.00 0.00 34.95 33.97 1wkh s ARG 268 CO 0.07 -0.88 1.79 1.05 0.02 0.00 0.00 175.30 177.35 1wkh h GLU 269 N 0.59 0.70 0.00 3.54 4.11 -1.92 -2.23 114.58 119.36 1wkh h GLU 269 Ca -0.48 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 58.84 1wkh h GLU 269 Cb 1.23 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1wkh h GLU 269 CO 0.57 0.46 -0.36 1.05 0.07 0.00 0.00 179.01 180.81 1wkh h GLU 270 N 0.72 0.00 0.09 1.06 9.09 -1.95 -1.66 114.58 121.93 1wkh h GLU 270 Ca 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.82 1wkh h GLU 270 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 1wkh h GLU 270 CO -0.29 0.36 -0.04 0.28 0.05 0.00 0.00 179.01 179.37 1wkh h VAL 271 N 0.00 1.17 -0.58 -1.06 2.07 -1.79 -2.94 116.25 113.11 1wkh h VAL 271 Ca -0.00 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.48 1wkh h VAL 271 Cb 0.66 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 1wkh h VAL 271 CO 0.05 0.25 0.35 0.00 0.02 0.00 0.00 177.57 178.24 1wkh h ALA 272 N 0.22 0.76 -0.92 1.67 0.00 -1.42 -2.70 119.26 116.86 1wkh h ALA 272 Ca -0.01 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1wkh h ALA 272 Cb 0.50 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1wkh h ALA 272 CO 0.02 0.06 0.59 -0.09 0.00 0.00 0.00 179.25 179.83 1wkh h ARG 273 N 0.68 0.65 0.00 0.00 2.43 -1.32 -0.88 114.38 115.94 1wkh h ARG 273 Ca 0.24 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1wkh h ARG 273 Cb 0.05 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1wkh h ARG 273 CO -0.11 0.43 0.00 0.77 -1.51 0.00 0.00 179.97 179.55 1wkh h SER 274 N 0.67 0.00 -3.03 -3.80 0.02 -1.29 -3.44 113.55 102.69 1wkh h SER 274 Ca 0.48 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.88 1wkh h SER 274 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1wkh h SER 274 CO -0.23 0.00 0.74 -0.32 -1.14 0.00 0.00 176.83 175.88 1wkh s MET 275 N -3.60 4.33 0.44 3.45 -2.45 -0.34 -4.69 119.30 116.45 1wkh s MET 275 Ca 0.01 1.77 -0.25 0.00 -1.25 0.00 0.00 55.69 55.97 1wkh s MET 275 Cb 0.09 -3.56 -0.08 0.00 1.25 0.00 0.00 34.83 32.53 1wkh s MET 275 CO 0.44 -0.49 1.38 -2.14 1.05 0.00 0.00 175.02 175.25 1wkh s PRO 276 N 2.26 3.74 0.15 4.11 0.02 -1.26 -4.89 135.00 139.13 1wkh s PRO 276 Ca 0.59 2.31 -0.34 0.00 0.02 0.00 0.00 61.00 63.57 1wkh s PRO 276 Cb -0.27 -2.65 -0.14 0.00 0.02 0.00 0.00 34.50 31.45 1wkh s PRO 276 CO 0.24 -0.73 1.54 1.63 -0.33 0.00 0.00 177.00 179.34 1wkh n LYS 277 N -0.16 1.99 -0.90 5.54 4.76 -1.26 0.37 118.16 128.49 1wkh n LYS 277 Ca 0.05 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1wkh n LYS 277 Cb 0.43 -2.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.15 1wkh n LYS 277 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wkh n GLY 278 N 3.25 0.78 0.14 0.72 0.00 -1.26 -4.87 105.19 103.95 1wkh n GLY 278 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1wkh n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 279 N -2.01 -0.85 3.62 -0.02 0.00 0.16 -4.73 105.19 101.36 1wkh n GLY 279 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1wkh n GLY 279 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wkh s HIS 280 N -3.47 -0.37 0.00 1.61 5.65 -1.26 -4.98 115.29 112.46 1wkh s HIS 280 Ca -0.02 0.05 0.00 0.00 0.25 0.00 0.00 55.06 55.34 1wkh s HIS 280 Cb 0.06 0.62 0.00 0.00 -1.18 0.00 0.00 32.58 32.08 1wkh s HIS 280 CO 0.19 -1.02 0.00 0.41 -0.65 0.00 0.00 174.74 173.66 1wkh n GLY 281 N -0.41 -0.72 3.64 1.59 0.00 -1.26 -5.12 105.19 102.90 1wkh n GLY 281 Ca -0.11 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1wkh n GLY 281 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wkh s THR 282 N -2.00 0.00 0.01 2.61 -1.32 -1.26 -5.06 115.64 108.63 1wkh s THR 282 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 1wkh s THR 282 Cb 0.00 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.84 1wkh s THR 282 CO 0.00 0.00 1.16 0.74 -2.21 0.00 0.00 174.62 174.31 1wkh h THR 283 N 3.57 0.18 0.00 5.08 2.02 -2.02 -3.33 112.91 118.41 1wkh h THR 283 Ca -0.28 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 1wkh h THR 283 Cb 1.18 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1wkh h THR 283 CO 0.12 0.03 -0.55 -0.26 0.37 0.00 0.00 175.52 175.22 1wkh h PHE 284 N -1.12 0.00 -1.40 3.16 0.05 -1.98 -3.45 116.94 112.20 1wkh h PHE 284 Ca -0.08 0.00 -0.63 0.00 3.82 0.00 0.00 57.97 61.08 1wkh h PHE 284 Cb 0.67 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.61 1wkh h PHE 284 CO 0.00 0.55 1.47 0.41 -0.18 0.00 0.00 178.31 180.56 1wkh n GLY 285 N 0.80 0.64 0.19 -1.45 0.00 -1.25 -1.25 105.19 102.86 1wkh n GLY 285 Ca 0.01 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.89 1wkh n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 286 N 6.25 0.95 3.76 -0.02 0.00 -1.26 -4.73 105.19 110.15 1wkh n GLY 286 Ca 0.38 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 1wkh n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wkh s ASN 287 N -2.03 5.70 0.33 1.61 2.20 -0.38 -4.80 114.94 117.56 1wkh s ASN 287 Ca 0.00 2.37 0.09 0.00 -0.94 0.00 0.00 52.86 54.38 1wkh s ASN 287 Cb 0.00 -2.60 0.84 0.00 -2.00 0.00 0.00 41.25 37.49 1wkh s ASN 287 CO 0.00 -1.25 1.78 1.55 -2.94 0.00 0.00 177.10 176.24 1wkh h PRO 288 N 1.49 0.64 -0.23 3.55 0.13 -1.81 -1.29 132.00 134.48 1wkh h PRO 288 Ca -0.50 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1wkh h PRO 288 Cb 1.27 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1wkh h PRO 288 CO 0.58 0.42 0.10 1.25 -0.23 0.00 0.00 178.00 180.12 1wkh h LEU 289 N 0.66 0.31 -0.81 1.56 5.85 -1.74 0.19 115.31 121.33 1wkh h LEU 289 Ca 0.58 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 59.02 1wkh h LEU 289 Cb 1.04 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1wkh h LEU 289 CO -0.36 0.38 -0.50 0.00 -0.34 0.00 0.00 178.44 177.62 1wkh h ALA 290 N 0.95 0.99 -0.27 1.25 0.00 -1.80 -1.91 119.26 118.47 1wkh h ALA 290 Ca 0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1wkh h ALA 290 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wkh h ALA 290 CO -0.01 0.65 -0.07 0.52 0.00 0.00 0.00 179.25 180.35 1wkh h MET 291 N 0.19 0.52 -0.42 0.00 2.86 -0.95 0.36 114.93 117.50 1wkh h MET 291 Ca 0.01 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1wkh h MET 291 Cb 0.95 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1wkh h MET 291 CO 0.08 0.74 0.23 0.00 1.06 0.00 0.00 176.91 179.01 1wkh h ALA 292 N 0.77 0.53 -0.64 6.32 0.00 -0.50 -0.82 119.26 124.92 1wkh h ALA 292 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wkh h ALA 292 Cb 0.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1wkh h ALA 292 CO 0.03 0.05 0.27 0.00 0.00 0.00 0.00 179.25 179.60 1wkh h ALA 293 N 1.09 0.83 -0.88 0.00 0.00 -1.30 -2.09 119.26 116.91 1wkh h ALA 293 Ca 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wkh h ALA 293 Cb 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1wkh h ALA 293 CO -0.02 0.44 0.58 0.78 0.00 0.00 0.00 179.25 181.03 1wkh h GLY 294 N 0.90 1.24 0.76 0.00 0.00 -0.47 -0.84 103.07 104.66 1wkh h GLY 294 Ca 0.22 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1wkh h GLY 294 CO -0.02 0.44 -0.01 -2.08 0.00 0.00 0.00 176.54 174.87 1wkh h VAL 295 N 1.18 1.26 -0.83 4.60 2.07 -0.73 -2.56 116.25 121.23 1wkh h VAL 295 Ca 0.33 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1wkh h VAL 295 Cb -0.11 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1wkh h VAL 295 CO -0.08 0.24 0.54 0.00 0.02 0.00 0.00 177.57 178.30 1wkh h ALA 296 N 0.74 1.05 -0.66 1.67 0.00 -1.08 -1.33 119.26 119.65 1wkh h ALA 296 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wkh h ALA 296 Cb 0.38 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1wkh h ALA 296 CO 0.01 0.47 0.28 0.00 0.00 0.00 0.00 179.25 180.01 1wkh h ALA 297 N 1.30 0.86 -0.17 0.00 0.00 -1.10 -1.19 119.26 118.94 1wkh h ALA 297 Ca 0.30 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1wkh h ALA 297 Cb -0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1wkh h ALA 297 CO -0.06 0.46 -0.21 0.82 0.00 0.00 0.00 179.25 180.26 1wkh h ILE 298 N 0.93 1.34 -0.53 0.00 2.04 -1.24 -1.09 117.51 118.96 1wkh h ILE 298 Ca 0.22 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.71 1wkh h ILE 298 Cb 0.18 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1wkh h ILE 298 CO -0.02 0.42 0.32 0.03 0.00 0.00 0.00 178.15 178.90 1wkh h ARG 299 N 0.09 0.63 -0.22 2.37 3.08 -1.16 0.11 114.38 119.28 1wkh h ARG 299 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wkh h ARG 299 Cb 0.76 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1wkh h ARG 299 CO 0.05 0.42 0.14 -0.92 -1.07 0.00 0.00 179.97 178.59 1wkh h TYR 300 N 0.65 0.27 -0.75 3.04 3.20 -1.17 0.24 116.97 122.45 1wkh h TYR 300 Ca 0.21 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1wkh h TYR 300 Cb 0.00 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 1wkh h TYR 300 CO -0.06 0.18 0.46 1.25 -1.64 0.00 0.00 178.16 178.35 1wkh h LEU 301 N 0.29 0.74 -0.16 2.82 5.85 -0.62 -1.69 115.31 122.54 1wkh h LEU 301 Ca 0.08 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 1wkh h LEU 301 Cb -0.03 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1wkh h LEU 301 CO -0.02 0.49 -0.46 -0.33 -0.34 0.00 0.00 178.44 177.79 1wkh h GLU 302 N 0.88 0.60 -0.01 1.25 4.39 -0.44 0.37 114.58 121.62 1wkh h GLU 302 Ca 0.31 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wkh h GLU 302 Cb 0.09 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1wkh h GLU 302 CO -0.14 1.05 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.65 1wkh h ARG 303 N 0.26 -0.02 -0.00 2.33 2.43 -0.37 -2.78 114.38 116.23 1wkh h ARG 303 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1wkh h ARG 303 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1wkh h ARG 303 CO 0.10 -0.01 -0.31 0.25 -1.51 0.00 0.00 179.97 178.49 1wkh n THR 304 N -5.11 0.00 -4.07 0.20 -2.24 -0.65 -4.93 114.28 97.48 1wkh n THR 304 Ca -0.07 -0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 1wkh n THR 304 Cb 0.05 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1wkh n THR 304 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wkh n ARG 305 N -1.48 -3.39 -0.50 -0.78 1.74 0.13 -4.77 116.66 107.61 1wkh n ARG 305 Ca 0.06 0.40 0.42 0.00 -0.77 0.00 0.00 57.85 57.96 1wkh n ARG 305 Cb 0.34 -4.84 0.75 0.00 -1.02 0.00 0.00 32.46 27.69 1wkh n ARG 305 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1wkh h LEU 306 N -1.71 0.08 -2.52 0.55 5.85 -1.71 -0.37 115.31 115.47 1wkh h LEU 306 Ca -0.61 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.16 1wkh h LEU 306 Cb 1.38 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1wkh h LEU 306 CO 0.70 -0.03 0.13 4.11 -0.34 0.00 0.00 178.44 183.01 1wkh h TRP 307 N 0.04 0.00 -0.44 1.25 0.09 -1.84 -2.05 115.95 113.00 1wkh h TRP 307 Ca 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 59.69 1wkh h TRP 307 Cb 2.87 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 32.09 1wkh h TRP 307 CO -0.00 0.00 0.07 0.93 0.09 0.00 0.00 178.44 179.52 1wkh h GLU 308 N 0.00 0.68 -0.68 0.12 5.08 -1.27 -0.63 114.58 117.88 1wkh h GLU 308 Ca 0.02 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1wkh h GLU 308 Cb 0.28 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1wkh h GLU 308 CO -0.00 0.65 0.10 0.00 -1.00 0.00 0.00 179.01 178.77 1wkh h ARG 309 N 0.66 1.13 -0.31 2.33 3.08 -1.59 -0.60 114.38 119.08 1wkh h ARG 309 Ca 0.14 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1wkh h ARG 309 Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1wkh h ARG 309 CO 0.00 1.03 0.09 0.00 -1.07 0.00 0.00 179.97 180.02 1wkh h ALA 310 N 1.05 0.41 -0.33 0.04 0.00 -1.49 0.18 119.26 119.12 1wkh h ALA 310 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1wkh h ALA 310 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1wkh h ALA 310 CO 0.01 0.06 0.06 0.00 0.00 0.00 0.00 179.25 179.39 1wkh h ALA 311 N 0.92 1.49 0.02 0.00 0.00 -0.90 0.16 119.26 120.95 1wkh h ALA 311 Ca 0.10 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1wkh h ALA 311 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1wkh h ALA 311 CO -0.00 0.37 -0.50 1.49 0.00 0.00 0.00 179.25 180.61 1wkh h GLU 312 N 0.48 0.03 -0.01 0.00 4.81 -0.85 -3.38 114.58 115.65 1wkh h GLU 312 Ca 0.11 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 1wkh h GLU 312 Cb 0.22 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1wkh h GLU 312 CO -0.00 1.03 -0.76 -0.07 -0.73 0.00 0.00 179.01 178.48 1wkh h LEU 313 N -0.92 0.14 0.01 1.64 3.38 -0.66 -3.33 115.31 115.58 1wkh h LEU 313 Ca -0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1wkh h LEU 313 Cb 1.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1wkh h LEU 313 CO -0.05 0.84 -0.12 1.23 0.09 0.00 0.00 178.44 180.43 1wkh h GLY 314 N 1.94 -1.27 0.37 0.83 0.00 -0.80 0.38 103.07 104.52 1wkh h GLY 314 Ca -0.02 0.58 0.12 0.00 0.00 0.00 0.00 47.33 48.02 1wkh h GLY 314 CO 0.11 -0.44 0.49 -2.55 0.00 0.00 0.00 176.54 174.14 1wkh h PRO 315 N -0.17 0.72 -0.30 4.80 0.11 -1.75 -0.46 132.00 134.96 1wkh h PRO 315 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1wkh h PRO 315 Cb 0.17 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1wkh h PRO 315 CO -0.08 0.48 0.16 2.35 -0.21 0.00 0.00 178.00 180.70 1wkh h TRP 316 N 0.75 0.43 -0.76 0.65 7.01 -1.63 -1.50 115.95 120.90 1wkh h TRP 316 Ca 0.45 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.40 1wkh h TRP 316 Cb 0.53 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 1wkh h TRP 316 CO -0.06 0.37 0.36 0.35 -2.79 0.00 0.00 178.44 176.66 1wkh h PHE 317 N 0.36 1.11 -0.39 2.65 3.57 0.70 -2.62 116.94 122.32 1wkh h PHE 317 Ca 0.11 -0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 1wkh h PHE 317 Cb 0.09 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1wkh h PHE 317 CO -0.02 0.82 -0.34 0.52 -2.23 0.00 0.00 178.31 177.05 1wkh h MET 318 N 1.08 0.90 -0.80 1.11 2.86 -0.92 -2.44 114.93 116.71 1wkh h MET 318 Ca 0.26 -0.44 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1wkh h MET 318 Cb 0.13 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 1wkh h MET 318 CO -0.03 1.09 0.48 0.93 1.06 0.00 0.00 176.91 180.44 1wkh h GLU 319 N 0.74 1.10 -0.76 1.72 5.08 -1.15 -1.04 114.58 120.27 1wkh h GLU 319 Ca 0.07 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1wkh h GLU 319 Cb 0.92 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1wkh h GLU 319 CO 0.08 0.78 0.33 0.87 -1.00 0.00 0.00 179.01 180.08 1wkh h LYS 320 N 1.11 1.10 -0.37 2.33 1.79 -1.32 -1.51 116.57 119.70 1wkh h LYS 320 Ca 0.29 -0.17 -0.16 0.00 -2.18 0.00 0.00 60.65 58.43 1wkh h LYS 320 Cb -0.03 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.42 1wkh h LYS 320 CO -0.05 0.87 -0.39 -0.07 -1.08 0.00 0.00 179.45 178.73 1wkh h LEU 321 N 1.09 0.97 -1.18 2.94 3.38 -1.02 -3.08 115.31 118.41 1wkh h LEU 321 Ca 0.26 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1wkh h LEU 321 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1wkh h LEU 321 CO -0.03 1.23 -0.37 0.03 0.09 0.00 0.00 178.44 179.39 1wkh h ARG 322 N 0.74 0.00 0.00 1.13 3.08 -0.87 -2.86 114.38 115.60 1wkh h ARG 322 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1wkh h ARG 322 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1wkh h ARG 322 CO 0.09 0.37 0.00 0.00 -1.07 0.00 0.00 179.97 179.37 1wkh n ALA 323 N -2.38 2.10 -1.68 0.04 0.00 -0.60 -4.82 120.51 113.18 1wkh n ALA 323 Ca -0.01 -0.04 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 1wkh n ALA 323 Cb 0.44 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 1wkh n ALA 323 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wkh n ILE 324 N -1.87 0.55 -1.24 0.00 5.41 -1.08 -4.85 119.36 116.28 1wkh n ILE 324 Ca 0.05 -0.10 -0.39 0.00 1.00 0.00 0.00 62.75 63.31 1wkh n ILE 324 Cb 0.32 -2.09 -0.03 0.00 -0.71 0.00 0.00 39.64 37.13 1wkh n ILE 324 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1wkh n PRO 325 N 6.44 2.06 -4.01 0.38 -0.04 -1.26 -4.86 135.00 133.70 1wkh n PRO 325 Ca 0.20 -1.99 -0.21 0.00 -0.04 0.00 0.00 63.50 61.46 1wkh n PRO 325 Cb 0.36 -2.93 -0.17 0.00 -0.04 0.00 0.00 33.50 30.72 1wkh n PRO 325 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wkh s SER 326 N 4.14 1.14 0.00 3.54 0.15 -1.26 -5.02 113.70 116.39 1wkh s SER 326 Ca 0.53 -0.11 0.19 0.00 0.70 0.00 0.00 55.95 57.25 1wkh s SER 326 Cb 0.14 -0.44 0.92 0.00 -1.71 0.00 0.00 66.02 64.93 1wkh s SER 326 CO 0.03 -0.10 1.58 -0.81 1.20 0.00 0.00 173.24 175.14 1wkh n PRO 327 N 4.43 0.21 0.19 5.44 -0.04 -1.26 -2.69 135.00 141.29 1wkh n PRO 327 Ca -0.19 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1wkh n PRO 327 Cb 0.50 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.65 1wkh n PRO 327 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1wkh h LYS 328 N 0.00 0.00 -6.32 0.54 1.57 -1.95 -3.44 116.57 106.97 1wkh h LYS 328 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1wkh h LYS 328 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1wkh h LYS 328 CO 0.00 0.25 0.62 0.42 -0.57 0.00 0.00 179.45 180.17 1wkh s ILE 329 N -3.20 4.43 -0.27 1.86 1.01 -1.09 -0.84 121.20 123.10 1wkh s ILE 329 Ca 0.04 1.74 -0.10 0.00 0.00 0.00 0.00 60.65 62.33 1wkh s ILE 329 Cb 0.07 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 38.29 1wkh s ILE 329 CO 0.69 0.02 -0.32 -1.14 0.00 0.00 0.00 174.94 174.20 1wkh n ARG 330 N 4.93 0.61 -3.51 2.79 0.63 0.42 -4.90 116.66 117.63 1wkh n ARG 330 Ca 0.10 0.23 -0.11 0.00 -0.92 0.00 0.00 57.85 57.16 1wkh n ARG 330 Cb 0.47 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.85 1wkh n ARG 330 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1wkh s GLU 331 N -2.51 0.85 -0.00 -0.14 2.12 -1.10 -5.01 118.70 112.91 1wkh s GLU 331 Ca -0.38 -0.14 0.07 0.00 0.36 0.00 0.00 54.97 54.88 1wkh s GLU 331 Cb 0.13 0.40 -0.02 0.00 0.26 0.00 0.00 34.13 34.90 1wkh s GLU 331 CO 0.52 -0.34 -0.22 0.08 -0.54 0.00 0.00 175.26 174.77 1wkh s VAL 332 N -2.45 1.72 0.23 3.70 1.01 -1.26 -0.46 120.40 122.89 1wkh s VAL 332 Ca 0.01 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 1wkh s VAL 332 Cb -0.01 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.96 1wkh s VAL 332 CO -0.04 0.42 0.60 0.00 0.00 0.00 0.00 175.10 176.08 1wkh s ARG 333 N -0.67 1.55 0.00 2.72 1.70 -0.78 -5.02 118.95 118.45 1wkh s ARG 333 Ca 0.08 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 1wkh s ARG 333 Cb -0.08 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 1wkh s ARG 333 CO -0.00 -0.68 0.00 0.41 -1.08 0.00 0.00 175.30 173.95 1wkh n GLY 334 N -0.40 0.91 3.00 3.88 0.00 -1.26 -0.90 105.19 110.43 1wkh n GLY 334 Ca -0.07 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 1wkh n GLY 334 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wkh s MET 335 N -1.74 0.16 7.96 1.61 -1.94 -0.86 -4.94 119.30 119.55 1wkh s MET 335 Ca 0.00 0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.39 1wkh s MET 335 Cb 0.00 -0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.74 1wkh s MET 335 CO 0.00 -0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.28 1wkh n GLY 336 N 3.99 3.77 2.08 -0.03 0.00 -1.06 -1.87 105.19 112.07 1wkh n GLY 336 Ca -0.23 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 1wkh n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wkh n LEU 337 N 0.00 6.50 -4.01 0.99 4.77 -0.08 -3.96 117.00 121.21 1wkh n LEU 337 Ca 0.00 -4.13 -0.33 0.00 -0.03 0.00 0.00 56.01 51.52 1wkh n LEU 337 Cb 0.00 -0.79 -0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1wkh n LEU 337 CO 0.00 1.44 -0.08 -0.32 -1.33 0.00 0.00 177.39 177.10 1wkh s MET 338 N -3.58 2.24 -0.05 3.23 1.75 -0.78 -4.39 119.30 117.71 1wkh s MET 338 Ca 0.58 -2.60 0.04 0.00 -1.25 0.00 0.00 55.69 52.46 1wkh s MET 338 Cb 0.47 -3.50 -0.02 0.00 2.84 0.00 0.00 34.83 34.62 1wkh s MET 338 CO 0.03 -1.14 -0.17 0.08 -0.65 0.00 0.00 175.02 173.17 1wkh s VAL 339 N -0.22 2.86 -0.08 10.11 1.01 -1.10 -2.02 120.40 130.95 1wkh s VAL 339 Ca 0.17 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1wkh s VAL 339 Cb -0.23 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1wkh s VAL 339 CO -0.01 0.59 -0.14 -0.83 0.00 0.00 0.00 175.10 174.70 1wkh s GLY 340 N -0.65 0.91 -0.37 4.51 0.00 -0.08 -0.70 107.32 110.95 1wkh s GLY 340 Ca 0.10 -0.56 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 1wkh s GLY 340 CO 0.01 0.12 0.16 -2.27 0.00 0.00 0.00 173.10 171.11 1wkh s LEU 341 N 0.75 4.69 -0.18 0.66 2.96 0.45 -1.86 118.68 126.14 1wkh s LEU 341 Ca -0.12 -1.43 -0.23 0.00 -0.22 0.00 0.00 54.13 52.13 1wkh s LEU 341 Cb -0.16 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1wkh s LEU 341 CO 0.03 -0.42 0.72 -0.70 -1.32 0.00 0.00 176.35 174.66 1wkh s GLU 342 N 1.34 4.26 0.22 1.98 2.12 0.40 -1.32 118.70 127.70 1wkh s GLU 342 Ca 0.01 0.81 0.05 0.00 0.36 0.00 0.00 54.97 56.20 1wkh s GLU 342 Cb -0.21 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 1wkh s GLU 342 CO 0.01 -0.27 0.27 -0.51 -0.54 0.00 0.00 175.26 174.22 1wkh s LEU 343 N 1.97 4.09 -0.29 2.70 1.43 0.11 -0.43 118.68 128.26 1wkh s LEU 343 Ca 0.33 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1wkh s LEU 343 Cb -0.16 -2.64 0.31 0.00 0.03 0.00 0.00 46.19 43.73 1wkh s LEU 343 CO 0.12 -0.03 1.71 0.29 0.23 0.00 0.00 176.35 178.66 1wkh n LYS 344 N -1.10 1.76 -3.62 1.70 5.02 -0.02 -4.80 118.16 117.10 1wkh n LYS 344 Ca -0.08 -1.67 -0.03 0.00 -2.02 0.00 0.00 58.31 54.51 1wkh n LYS 344 Cb 0.57 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1wkh n LYS 344 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1wkh s GLU 345 N -1.88 0.16 0.06 1.97 -1.05 -1.26 -5.09 118.70 111.61 1wkh s GLU 345 Ca 0.32 -0.05 -0.32 0.00 -0.15 0.00 0.00 54.97 54.77 1wkh s GLU 345 Cb 0.26 0.07 -0.17 0.00 -0.44 0.00 0.00 34.13 33.86 1wkh s GLU 345 CO 0.03 -0.07 0.79 0.36 0.95 0.00 0.00 175.26 177.33 1wkh n LYS 346 N -0.00 0.00 -0.00 -4.83 2.85 -1.26 -4.64 118.16 110.27 1wkh n LYS 346 Ca 0.03 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.20 1wkh n LYS 346 Cb 0.57 -1.19 -0.14 0.00 -0.65 0.00 0.00 35.03 33.62 1wkh n LYS 346 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wkh h ALA 347 N 2.09 0.67 -0.86 0.58 0.00 -1.11 -3.41 119.26 117.22 1wkh h ALA 347 Ca -0.39 -1.34 0.13 0.00 0.00 0.00 0.00 54.91 53.30 1wkh h ALA 347 Cb 1.28 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 1wkh h ALA 347 CO 0.56 1.51 -0.36 0.00 0.00 0.00 0.00 179.25 180.96 1wkh n ALA 348 N -2.52 -0.16 0.12 0.00 0.00 -1.26 -0.84 120.51 115.86 1wkh n ALA 348 Ca -0.14 0.84 0.06 0.00 0.00 0.00 0.00 53.44 54.21 1wkh n ALA 348 Cb 1.03 -0.35 0.53 0.00 0.00 0.00 0.00 19.45 20.65 1wkh n ALA 348 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wkh h PRO 349 N 0.00 0.28 0.00 0.00 0.11 -1.98 -1.81 132.00 128.60 1wkh h PRO 349 Ca 0.28 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 1wkh h PRO 349 Cb 0.50 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1wkh h PRO 349 CO -0.85 0.19 -0.24 1.88 -0.21 0.00 0.00 178.00 178.76 1wkh h TYR 350 N 0.29 0.00 0.00 0.65 -1.99 -1.28 -1.68 116.97 112.96 1wkh h TYR 350 Ca 0.08 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.63 1wkh h TYR 350 Cb -0.03 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 1wkh h TYR 350 CO 0.00 0.24 -0.82 0.82 -0.00 0.00 0.00 178.16 178.41 1wkh h ILE 351 N 0.00 1.56 0.02 -2.88 2.04 -0.98 -1.02 117.51 116.25 1wkh h ILE 351 Ca -0.00 -2.74 -0.25 0.00 1.00 0.00 0.00 64.86 62.87 1wkh h ILE 351 Cb 1.02 2.48 0.01 0.00 -0.74 0.00 0.00 36.82 39.59 1wkh h ILE 351 CO 0.03 0.78 -1.01 0.00 0.00 0.00 0.00 178.15 177.95 1wkh h ALA 352 N 1.15 0.25 -0.10 1.87 0.00 -1.20 -2.55 119.26 118.68 1wkh h ALA 352 Ca -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1wkh h ALA 352 Cb 1.44 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1wkh h ALA 352 CO 0.11 0.77 -0.07 0.00 0.00 0.00 0.00 179.25 180.06 1wkh h ARG 353 N 0.28 0.22 -0.91 0.00 3.08 -1.28 -0.83 114.38 114.94 1wkh h ARG 353 Ca -0.11 -0.10 0.18 0.00 0.07 0.00 0.00 59.98 60.02 1wkh h ARG 353 Cb 1.66 -0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.60 1wkh h ARG 353 CO 0.18 0.60 0.47 -0.07 -1.07 0.00 0.00 179.97 180.09 1wkh h LEU 354 N -0.16 0.54 0.04 3.04 3.38 -1.22 0.32 115.31 121.24 1wkh h LEU 354 Ca 0.02 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wkh h LEU 354 Cb 0.54 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1wkh h LEU 354 CO 0.02 0.16 -0.02 -0.08 0.09 0.00 0.00 178.44 178.61 1wkh h GLU 355 N 0.59 -0.05 0.02 1.13 4.81 -1.24 -0.41 114.58 119.44 1wkh h GLU 355 Ca 0.53 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.54 1wkh h GLU 355 Cb 0.87 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1wkh h GLU 355 CO -0.42 0.54 -0.96 0.87 -0.73 0.00 0.00 179.01 178.31 1wkh h LYS 356 N -0.70 0.26 0.00 1.92 1.57 -0.76 -1.85 116.57 117.00 1wkh h LYS 356 Ca -0.01 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1wkh h LYS 356 Cb 0.62 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1wkh h LYS 356 CO 0.01 1.04 -1.70 0.39 -0.57 0.00 0.00 179.45 178.62 1wkh n GLU 357 N -3.65 0.55 0.00 3.15 1.02 0.11 -4.57 120.64 117.26 1wkh n GLU 357 Ca -0.05 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1wkh n GLU 357 Cb 0.86 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1wkh n GLU 357 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1wkh n HIS 358 N -2.20 0.00 -3.99 -0.32 8.25 -1.04 -5.03 115.22 110.90 1wkh n HIS 358 Ca -0.02 -0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.13 1wkh n HIS 358 Cb 0.53 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 1wkh n HIS 358 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wkh n ARG 359 N -0.05 -2.94 -4.00 -0.41 3.00 -0.68 -4.81 116.66 106.77 1wkh n ARG 359 Ca 0.00 0.37 -0.30 0.00 -0.01 0.00 0.00 57.85 57.91 1wkh n ARG 359 Cb 0.19 -4.39 -0.16 0.00 0.00 0.00 0.00 32.46 28.10 1wkh n ARG 359 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wkh s VAL 360 N -3.99 1.55 -0.19 1.55 1.01 -0.25 -0.88 120.40 119.19 1wkh s VAL 360 Ca 0.02 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1wkh s VAL 360 Cb -0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1wkh s VAL 360 CO 0.90 0.39 0.36 -0.76 0.00 0.00 0.00 175.10 175.99 1wkh s LEU 361 N 1.48 4.18 0.24 3.92 1.43 -0.54 -2.69 118.68 126.69 1wkh s LEU 361 Ca 0.04 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1wkh s LEU 361 Cb -0.14 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1wkh s LEU 361 CO -0.10 -0.02 0.12 0.00 0.23 0.00 0.00 176.35 176.58 1wkh s ALA 362 N 1.07 1.49 0.33 4.21 0.00 -1.26 -0.66 121.76 126.93 1wkh s ALA 362 Ca 0.18 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1wkh s ALA 362 Cb -0.14 1.23 0.01 0.00 0.00 0.00 0.00 23.12 24.22 1wkh s ALA 362 CO 0.07 -0.53 0.11 1.28 0.00 0.00 0.00 175.76 176.69 1wkh n LEU 363 N -0.39 0.00 -4.41 0.00 4.77 0.06 -4.88 117.00 112.15 1wkh n LEU 363 Ca 0.01 -1.93 -0.20 0.00 -0.03 0.00 0.00 56.01 53.86 1wkh n LEU 363 Cb 0.66 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.77 1wkh n LEU 363 CO 0.35 -0.36 -0.33 -1.58 -1.33 0.00 0.00 177.39 174.13 1wkh s GLN 364 N -3.27 1.53 -0.42 3.23 0.74 -1.26 0.67 119.66 120.88 1wkh s GLN 364 Ca 0.08 -1.79 0.08 0.00 0.05 0.00 0.00 55.36 53.79 1wkh s GLN 364 Cb -0.01 -0.97 0.33 0.00 1.10 0.00 0.00 33.01 33.46 1wkh s GLN 364 CO 0.05 -0.04 0.94 0.00 -0.55 0.00 0.00 175.29 175.69 1wkh n ALA 365 N -0.57 0.40 0.00 1.58 0.00 -0.89 -4.52 120.51 116.51 1wkh n ALA 365 Ca -0.05 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.10 1wkh n ALA 365 Cb 0.64 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1wkh n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wkh n GLY 366 N 0.41 2.52 0.25 0.00 0.00 -1.25 -2.94 105.19 104.18 1wkh n GLY 366 Ca 0.14 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 44.15 1wkh n GLY 366 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wkh h PRO 367 N 0.00 0.00 -0.39 1.61 0.13 -1.98 -3.21 132.00 128.16 1wkh h PRO 367 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wkh h PRO 367 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wkh h PRO 367 CO 0.00 0.17 0.00 0.25 -0.23 0.00 0.00 178.00 178.19 1wkh n THR 368 N -3.59 1.06 -5.22 1.56 -2.24 -1.26 -0.58 114.28 103.99 1wkh n THR 368 Ca -0.01 -1.03 -0.32 0.00 -2.27 0.00 0.00 64.05 60.42 1wkh n THR 368 Cb 0.31 0.47 -0.17 0.00 -2.10 0.00 0.00 70.33 68.84 1wkh n THR 368 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wkh s VAL 369 N -1.08 2.03 -0.22 2.28 1.01 -1.21 0.09 120.40 123.30 1wkh s VAL 369 Ca 0.27 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1wkh s VAL 369 Cb 0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1wkh s VAL 369 CO 0.18 0.56 0.28 -0.63 0.00 0.00 0.00 175.10 175.49 1wkh s ILE 370 N 0.10 5.28 -0.08 2.22 1.01 -0.44 -2.08 121.20 127.21 1wkh s ILE 370 Ca -0.11 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1wkh s ILE 370 Cb -0.16 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1wkh s ILE 370 CO 0.06 0.30 -0.07 -0.60 0.00 0.00 0.00 174.94 174.64 1wkh s ARG 371 N 1.16 2.87 -0.19 2.79 3.52 0.21 -0.41 118.95 128.90 1wkh s ARG 371 Ca 0.14 -0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1wkh s ARG 371 Cb -0.14 -2.63 0.01 0.00 -1.56 0.00 0.00 34.95 30.63 1wkh s ARG 371 CO 0.06 0.61 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.94 1wkh s PHE 372 N -0.65 2.83 -0.45 5.12 0.08 0.13 -0.76 117.98 124.28 1wkh s PHE 372 Ca 0.10 -1.39 0.09 0.00 0.12 0.00 0.00 56.93 55.84 1wkh s PHE 372 Cb -0.11 -1.97 0.30 0.00 -0.57 0.00 0.00 43.02 40.66 1wkh s PHE 372 CO 0.02 -0.70 0.68 1.28 -0.10 0.00 0.00 175.22 176.40 1wkh n LEU 373 N 4.61 1.51 -4.85 -0.37 4.77 0.76 -2.71 117.00 120.71 1wkh n LEU 373 Ca -0.20 -5.05 -0.31 0.00 -0.03 0.00 0.00 56.01 50.42 1wkh n LEU 373 Cb 0.50 0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.87 1wkh n LEU 373 CO 0.27 2.18 0.59 -2.16 -1.33 0.00 0.00 177.39 176.94 1wkh s PRO 374 N -2.11 3.88 0.45 3.23 0.04 -1.24 -3.75 135.00 135.51 1wkh s PRO 374 Ca 0.39 0.77 -0.23 0.00 0.04 0.00 0.00 61.00 61.97 1wkh s PRO 374 Cb 0.24 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1wkh s PRO 374 CO -0.09 -0.18 0.86 -2.30 0.04 0.00 0.00 177.00 175.33 1wkh n PRO 375 N -1.47 1.05 0.16 0.56 -0.02 -1.26 -4.83 135.00 129.19 1wkh n PRO 375 Ca 0.05 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1wkh n PRO 375 Cb 0.54 -1.90 0.55 0.00 -0.02 0.00 0.00 33.50 32.67 1wkh n PRO 375 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1wkh h LEU 376 N 1.15 0.00 -0.89 2.45 3.38 -0.63 -2.02 115.31 118.76 1wkh h LEU 376 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1wkh h LEU 376 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1wkh h LEU 376 CO 0.54 0.00 0.00 1.33 0.09 0.00 0.00 178.44 180.40 1wkh n VAL 377 N -2.35 0.17 -1.70 1.22 0.24 -1.25 -4.64 118.33 110.03 1wkh n VAL 377 Ca 0.01 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.34 61.60 1wkh n VAL 377 Cb 0.20 0.24 -0.02 0.00 -1.47 0.00 0.00 33.84 32.78 1wkh n VAL 377 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wkh n ILE 378 N 0.10 1.17 -2.41 1.34 3.06 -0.76 -4.83 119.36 117.03 1wkh n ILE 378 Ca 0.15 -0.29 -0.39 0.00 -2.50 0.00 0.00 62.75 59.72 1wkh n ILE 378 Cb 0.27 -1.64 -0.03 0.00 0.54 0.00 0.00 39.64 38.78 1wkh n ILE 378 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1wkh s GLU 379 N -0.72 4.33 0.34 9.51 0.41 -1.26 -4.94 118.70 126.37 1wkh s GLU 379 Ca 0.64 1.77 0.08 0.00 -0.41 0.00 0.00 54.97 57.06 1wkh s GLU 379 Cb -0.59 -2.87 0.79 0.00 -1.78 0.00 0.00 34.13 29.68 1wkh s GLU 379 CO 0.52 -0.06 1.84 -0.22 -0.49 0.00 0.00 175.26 176.85 1wkh h LYS 380 N 3.11 0.71 -0.28 1.61 3.64 -2.00 0.75 116.57 124.11 1wkh h LYS 380 Ca -0.48 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1wkh h LYS 380 Cb 1.22 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1wkh h LYS 380 CO 0.64 0.47 0.05 0.93 -2.27 0.00 0.00 179.45 179.27 1wkh h GLU 381 N 0.73 0.40 -0.08 1.90 5.08 -2.00 -2.39 114.58 118.21 1wkh h GLU 381 Ca 0.49 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.60 1wkh h GLU 381 Cb 0.79 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1wkh h GLU 381 CO -0.25 0.39 -0.75 -0.44 -1.00 0.00 0.00 179.01 176.95 1wkh h ASP 382 N 0.40 0.56 0.01 1.42 3.32 -1.23 -2.44 116.42 118.45 1wkh h ASP 382 Ca 0.09 -0.37 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 1wkh h ASP 382 Cb 0.18 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1wkh h ASP 382 CO -0.00 1.13 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.35 1wkh h LEU 383 N 0.31 0.36 -0.25 1.55 3.38 -1.14 0.04 115.31 119.58 1wkh h LEU 383 Ca -0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1wkh h LEU 383 Cb 1.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1wkh h LEU 383 CO 0.13 0.60 0.09 -0.08 0.09 0.00 0.00 178.44 179.27 1wkh h GLU 384 N 0.33 0.37 -0.93 1.13 4.57 -1.35 0.14 114.58 118.85 1wkh h GLU 384 Ca 0.05 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1wkh h GLU 384 Cb 0.58 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.04 1wkh h GLU 384 CO 0.04 0.43 0.58 0.00 -1.18 0.00 0.00 179.01 178.87 1wkh h ARG 385 N 0.24 0.96 -0.40 1.92 3.08 -0.92 0.89 114.38 120.16 1wkh h ARG 385 Ca 0.08 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1wkh h ARG 385 Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1wkh h ARG 385 CO -0.01 0.64 0.14 0.28 -1.07 0.00 0.00 179.97 179.95 1wkh h VAL 386 N 0.99 1.21 -0.84 2.04 2.07 -0.16 0.46 116.25 122.03 1wkh h VAL 386 Ca 0.43 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1wkh h VAL 386 Cb 0.30 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1wkh h VAL 386 CO -0.21 0.24 0.47 0.58 0.02 0.00 0.00 177.57 178.66 1wkh h VAL 387 N 0.51 1.24 -0.24 2.57 2.07 0.36 -1.51 116.25 121.25 1wkh h VAL 387 Ca 0.13 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1wkh h VAL 387 Cb 0.23 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1wkh h VAL 387 CO -0.01 0.27 0.10 -0.33 0.02 0.00 0.00 177.57 177.62 1wkh h GLU 388 N 1.16 0.36 -0.84 1.57 5.08 -0.58 -1.81 114.58 119.52 1wkh h GLU 388 Ca 0.30 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 1wkh h GLU 388 Cb 0.02 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 1wkh h GLU 388 CO -0.05 0.40 0.51 0.00 -1.00 0.00 0.00 179.01 178.87 1wkh h ALA 389 N 0.94 1.16 -0.48 3.43 0.00 -0.61 -1.32 119.26 122.39 1wkh h ALA 389 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1wkh h ALA 389 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1wkh h ALA 389 CO -0.01 0.22 0.09 0.28 0.00 0.00 0.00 179.25 179.84 1wkh h VAL 390 N 0.91 1.25 -0.06 0.00 2.07 -1.03 -1.60 116.25 117.79 1wkh h VAL 390 Ca 0.37 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1wkh h VAL 390 Cb 0.21 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1wkh h VAL 390 CO -0.19 0.32 -0.13 -0.09 0.02 0.00 0.00 177.57 177.50 1wkh h ARG 391 N 0.66 0.09 0.20 1.57 2.43 -0.73 -2.49 114.38 116.11 1wkh h ARG 391 Ca 0.15 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 59.03 1wkh h ARG 391 Cb 0.37 -0.01 0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1wkh h ARG 391 CO 0.01 0.22 -1.21 0.00 -1.51 0.00 0.00 179.97 177.48 1wkh h ALA 392 N 1.79 -0.11 0.00 2.80 0.00 -0.96 -3.16 119.26 119.61 1wkh h ALA 392 Ca 0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 1wkh h ALA 392 Cb 0.28 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wkh h ALA 392 CO 0.02 0.58 -0.10 -0.39 0.00 0.00 0.00 179.25 179.36 1wkh h VAL 393 N -0.09 0.30 -0.00 0.00 -1.51 -1.21 -2.65 116.25 111.09 1wkh h VAL 393 Ca -0.22 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.58 1wkh h VAL 393 Cb 1.93 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.61 1wkh h VAL 393 CO 0.21 0.10 -0.55 0.18 -1.23 0.00 0.00 177.57 176.28 1wkh n LEU 394 N -3.30 0.59 0.00 4.19 4.77 -0.95 -4.96 117.00 117.33 1wkh n LEU 394 Ca -0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1wkh n LEU 394 Cb 0.31 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1wkh n LEU 394 CO 0.29 0.14 0.11 0.00 -1.33 0.00 0.00 177.39 176.61