#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mwb s THR 5 N 0.00 1.32 0.02 1.55 2.01 -1.26 -2.72 115.64 116.56 3mwb s THR 5 Ca 0.00 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.49 3mwb s THR 5 Cb 0.00 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3mwb s THR 5 CO 0.00 0.41 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.96 3mwb s TYR 6 N 1.01 2.89 0.35 4.92 2.02 0.32 0.08 117.35 128.94 3mwb s TYR 6 Ca -0.07 -0.05 0.08 0.00 -0.37 0.00 0.00 57.07 56.66 3mwb s TYR 6 Cb -0.15 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 3mwb s TYR 6 CO -0.01 0.38 0.24 0.95 -1.57 0.00 0.00 175.55 175.54 3mwb s THR 7 N -1.03 3.12 0.17 -0.71 -4.23 -0.61 -0.05 115.64 112.31 3mwb s THR 7 Ca 0.18 -1.51 -0.23 0.00 -1.18 0.00 0.00 61.69 58.94 3mwb s THR 7 Cb -0.11 -3.06 0.06 0.00 1.34 0.00 0.00 72.50 70.73 3mwb s THR 7 CO 0.09 -0.14 0.69 0.72 -0.54 0.00 0.00 174.62 175.43 3mwb s PHE 8 N -2.40 -0.41 -0.23 3.99 -0.71 -0.78 -4.27 117.98 113.17 3mwb s PHE 8 Ca 0.41 0.14 -0.29 0.00 -1.04 0.00 0.00 56.93 56.15 3mwb s PHE 8 Cb -0.03 0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 42.35 3mwb s PHE 8 CO 0.25 -0.90 1.62 -1.17 -1.34 0.00 0.00 175.22 173.67 3mwb s LEU 9 N -2.77 3.87 0.00 -1.99 2.96 -1.26 -0.47 118.68 119.01 3mwb s LEU 9 Ca 0.05 1.59 -0.03 0.00 -0.22 0.00 0.00 54.13 55.51 3mwb s LEU 9 Cb -0.02 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.20 3mwb s LEU 9 CO -0.07 -1.28 0.43 0.61 -1.32 0.00 0.00 176.35 174.71 3mwb n GLY 10 N 4.71 -0.11 0.22 7.98 0.00 0.15 -4.55 105.19 113.59 3mwb n GLY 10 Ca 0.19 -1.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 3mwb n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mwb n PRO 11 N -1.84 -0.18 -1.89 1.61 -0.04 -1.26 -4.88 135.00 126.51 3mwb n PRO 11 Ca 0.06 -0.12 -0.37 0.00 -0.04 0.00 0.00 63.50 63.04 3mwb n PRO 11 Cb 0.22 -0.08 0.05 0.00 -0.04 0.00 0.00 33.50 33.64 3mwb n PRO 11 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3mwb s GLN 12 N -3.17 2.88 0.00 0.54 -0.21 -1.26 -3.60 119.66 114.84 3mwb s GLN 12 Ca 0.04 1.98 0.00 0.00 0.02 0.00 0.00 55.36 57.40 3mwb s GLN 12 Cb -0.00 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 32.04 3mwb s GLN 12 CO 0.03 -1.32 0.00 0.41 -2.12 0.00 0.00 175.29 172.29 3mwb n GLY 13 N 0.69 0.98 3.71 3.09 0.00 -1.26 -4.82 105.19 107.58 3mwb n GLY 13 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3mwb n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mwb s THR 14 N -3.22 2.00 0.40 2.61 -4.23 -1.24 -4.15 115.64 107.82 3mwb s THR 14 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 3mwb s THR 14 Cb 0.00 -2.59 0.28 0.00 1.34 0.00 0.00 72.50 71.53 3mwb s THR 14 CO 0.00 0.00 2.03 -0.26 -0.54 0.00 0.00 174.62 175.85 3mwb h PHE 15 N -1.78 0.57 -0.03 3.99 -1.00 -1.95 -2.46 116.94 114.27 3mwb h PHE 15 Ca -0.53 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.27 3mwb h PHE 15 Cb 1.33 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.69 3mwb h PHE 15 CO 0.27 0.34 -0.04 1.15 -1.61 0.00 0.00 178.31 178.42 3mwb h THR 16 N 0.60 0.88 -0.17 -1.55 2.02 -1.92 -1.67 112.91 111.09 3mwb h THR 16 Ca 0.20 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.40 3mwb h THR 16 Cb 0.05 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3mwb h THR 16 CO -0.05 0.00 0.04 -0.08 0.37 0.00 0.00 175.52 175.80 3mwb h GLU 17 N -0.06 0.11 -1.03 6.66 4.81 -1.74 -1.72 114.58 121.61 3mwb h GLU 17 Ca 0.03 -0.01 0.27 0.00 -0.13 0.00 0.00 59.36 59.52 3mwb h GLU 17 Cb 0.10 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.33 3mwb h GLU 17 CO -0.07 0.07 0.62 0.00 -0.73 0.00 0.00 179.01 178.91 3mwb h ALA 18 N 1.12 1.97 -0.16 2.92 0.00 -1.25 -1.30 119.26 122.56 3mwb h ALA 18 Ca 0.08 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3mwb h ALA 18 Cb 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3mwb h ALA 18 CO -0.09 -0.46 -0.24 0.00 0.00 0.00 0.00 179.25 178.46 3mwb h ALA 19 N 1.72 0.25 0.00 0.00 0.00 -0.59 -3.18 119.26 117.46 3mwb h ALA 19 Ca 0.66 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3mwb h ALA 19 Cb 1.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3mwb h ALA 19 CO -0.45 0.21 0.00 -0.11 0.00 0.00 0.00 179.25 178.90 3mwb n LEU 20 N -4.44 0.00 0.00 0.00 7.94 -0.49 -3.75 117.00 116.27 3mwb n LEU 20 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 3mwb n LEU 20 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 3mwb n LEU 20 CO 0.42 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.70 3mwb n GLN 22 N 1.58 0.00 -2.29 1.96 6.02 -1.20 -4.75 117.38 118.69 3mwb n GLN 22 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3mwb n GLN 22 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 3mwb n GLN 22 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3mwb s VAL 23 N 0.00 3.57 0.26 5.09 1.01 -1.25 -4.95 120.40 124.13 3mwb s VAL 23 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 3mwb s VAL 23 Cb 0.00 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.49 3mwb s VAL 23 CO 0.00 0.12 1.28 -2.65 0.00 0.00 0.00 175.10 173.85 3mwb n PRO 24 N 3.52 1.80 -0.03 2.72 -0.02 -1.26 -1.63 135.00 140.10 3mwb n PRO 24 Ca 0.09 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3mwb n PRO 24 Cb 0.44 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3mwb n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mwb n GLY 25 N 1.72 2.85 0.14 -1.23 0.00 -1.26 -4.90 105.19 102.51 3mwb n GLY 25 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3mwb n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwb h ALA 26 N 0.00 0.63 -0.08 4.61 0.00 -1.60 -2.95 119.26 119.86 3mwb h ALA 26 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 54.28 3mwb h ALA 26 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3mwb h ALA 26 CO 0.00 0.84 0.10 0.00 0.00 0.00 0.00 179.25 180.19 3mwb h ALA 27 N 1.04 1.63 -0.29 0.00 0.00 -1.87 -0.93 119.26 118.84 3mwb h ALA 27 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mwb h ALA 27 Cb 1.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3mwb h ALA 27 CO 0.12 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 178.83 3mwb n ASP 28 N -3.78 2.98 -4.96 0.00 3.85 -1.17 -5.02 116.55 108.45 3mwb n ASP 28 Ca -0.01 -2.18 -0.19 0.00 -0.71 0.00 0.00 54.79 51.70 3mwb n ASP 28 Cb 0.20 -0.26 -0.01 0.00 -1.35 0.00 0.00 41.12 39.70 3mwb n ASP 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mwb s ALA 29 N -1.32 4.22 -0.12 2.12 0.00 -0.36 -5.07 121.76 121.25 3mwb s ALA 29 Ca 0.24 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 3mwb s ALA 29 Cb 0.15 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3mwb s ALA 29 CO 0.13 -0.12 1.26 0.99 0.00 0.00 0.00 175.76 178.02 3mwb s THR 30 N -2.28 4.23 -0.23 0.00 2.01 -1.10 -4.98 115.64 113.29 3mwb s THR 30 Ca 0.47 1.52 0.01 0.00 0.31 0.00 0.00 61.69 64.00 3mwb s THR 30 Cb -0.08 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.49 3mwb s THR 30 CO 0.30 -0.08 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.90 3mwb s ARG 31 N 3.00 2.64 -0.29 4.92 0.52 -1.26 -0.52 118.95 127.96 3mwb s ARG 31 Ca 0.56 -1.09 -0.09 0.00 -0.52 0.00 0.00 55.73 54.59 3mwb s ARG 31 Cb -0.23 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 3mwb s ARG 31 CO 0.18 -0.41 0.13 0.42 0.02 0.00 0.00 175.30 175.64 3mwb s ILE 32 N 1.22 4.56 0.25 1.52 1.01 0.93 -5.00 121.20 125.69 3mwb s ILE 32 Ca -0.02 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 3mwb s ILE 32 Cb -0.17 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 3mwb s ILE 32 CO -0.07 0.16 0.99 -2.16 0.00 0.00 0.00 174.94 173.86 3mwb s PRO 33 N 1.62 4.78 0.11 2.79 0.04 -1.26 -1.87 135.00 141.21 3mwb s PRO 33 Ca 0.05 1.59 0.09 0.00 0.04 0.00 0.00 61.00 62.78 3mwb s PRO 33 Cb -0.16 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 3mwb s PRO 33 CO 0.06 0.41 -0.24 0.00 0.04 0.00 0.00 177.00 177.27 3mwb h THR 35 N 4.00 0.76 -4.34 0.00 2.02 -1.90 0.43 112.91 113.89 3mwb h THR 35 Ca -0.48 -0.11 -0.23 0.00 0.77 0.00 0.00 66.41 66.35 3mwb h THR 35 Cb 1.17 0.41 -0.12 0.00 -1.74 0.00 0.00 68.15 67.87 3mwb h THR 35 CO 0.39 0.06 -0.42 0.54 0.37 0.00 0.00 175.52 176.47 3mwb s ASN 36 N -5.36 0.43 0.21 4.18 2.20 -1.26 -4.66 114.94 110.68 3mwb s ASN 36 Ca -0.13 -1.35 -0.09 0.00 -0.94 0.00 0.00 52.86 50.35 3mwb s ASN 36 Cb 0.16 0.50 0.23 0.00 -2.00 0.00 0.00 41.25 40.14 3mwb s ASN 36 CO 0.73 -1.01 1.81 0.58 -2.94 0.00 0.00 177.10 176.27 3mwb h VAL 37 N 2.39 0.99 -0.36 3.54 2.07 -1.91 -1.71 116.25 121.25 3mwb h VAL 37 Ca -0.31 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3mwb h VAL 37 Cb 1.25 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3mwb h VAL 37 CO 0.44 0.13 0.21 -1.13 0.02 0.00 0.00 177.57 177.24 3mwb h ASN 38 N 0.71 0.44 -0.98 0.57 -1.24 -1.97 -1.37 115.58 111.74 3mwb h ASN 38 Ca 0.29 -0.07 0.04 0.00 0.71 0.00 0.00 56.30 57.28 3mwb h ASN 38 Cb 0.16 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 39.04 3mwb h ASN 38 CO -0.17 0.37 0.64 0.74 -1.29 0.00 0.00 177.43 177.72 3mwb h THR 39 N 0.46 1.15 -0.23 -3.57 2.02 -1.93 0.34 112.91 111.15 3mwb h THR 39 Ca 0.13 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.90 3mwb h THR 39 Cb 0.02 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.25 3mwb h THR 39 CO -0.02 0.22 0.11 0.00 0.37 0.00 0.00 175.52 176.20 3mwb h ALA 40 N 1.41 0.27 -0.14 6.16 0.00 -0.82 -2.73 119.26 123.41 3mwb h ALA 40 Ca 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.13 3mwb h ALA 40 Cb 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3mwb h ALA 40 CO -0.13 -0.29 -0.64 -0.07 0.00 0.00 0.00 179.25 178.11 3mwb h LEU 41 N 0.24 0.60 -0.59 0.00 3.38 -0.57 -3.12 115.31 115.26 3mwb h LEU 41 Ca 0.09 -0.36 0.10 0.00 0.09 0.00 0.00 57.88 57.81 3mwb h LEU 41 Cb 0.02 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 3mwb h LEU 41 CO -0.06 1.09 0.17 -0.08 0.09 0.00 0.00 178.44 179.64 3mwb h GLU 42 N 0.38 0.30 -0.93 1.13 4.81 -0.25 0.83 114.58 120.85 3mwb h GLU 42 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3mwb h GLU 42 Cb 1.21 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 3mwb h GLU 42 CO 0.12 0.20 0.55 0.00 -0.73 0.00 0.00 179.01 179.14 3mwb h ARG 43 N 0.31 1.28 0.09 1.92 3.08 -1.42 0.25 114.38 119.89 3mwb h ARG 43 Ca 0.31 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 3mwb h ARG 43 Cb 0.43 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3mwb h ARG 43 CO -0.36 0.91 -0.04 0.28 -1.07 0.00 0.00 179.97 179.68 3mwb h VAL 44 N 1.29 1.05 -0.92 2.04 2.07 -1.31 -1.13 116.25 119.34 3mwb h VAL 44 Ca 0.33 -0.52 0.12 0.00 0.82 0.00 0.00 66.70 67.46 3mwb h VAL 44 Cb -0.03 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 3mwb h VAL 44 CO -0.06 0.13 0.59 0.03 0.02 0.00 0.00 177.57 178.28 3mwb h ARG 45 N -0.35 0.80 0.00 1.57 3.08 -0.45 -1.82 114.38 117.21 3mwb h ARG 45 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3mwb h ARG 45 Cb 0.30 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3mwb h ARG 45 CO 0.02 0.53 0.00 0.00 -1.07 0.00 0.00 179.97 179.45 3mwb n ALA 46 N -2.40 2.31 -0.61 0.04 0.00 0.04 -4.89 120.51 115.00 3mwb n ALA 46 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3mwb n ALA 46 Cb 0.39 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3mwb n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mwb n GLY 47 N 0.82 0.68 0.47 0.00 0.00 -0.69 -4.95 105.19 101.53 3mwb n GLY 47 Ca 0.13 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3mwb n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mwb n GLU 48 N -2.61 1.29 -3.88 1.61 -0.58 -0.45 -4.94 120.64 111.08 3mwb n GLU 48 Ca 0.00 -1.12 -0.11 0.00 -0.42 0.00 0.00 57.16 55.51 3mwb n GLU 48 Cb 0.00 -1.24 -0.09 0.00 -0.57 0.00 0.00 31.44 29.53 3mwb n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mwb s ALA 49 N -1.35 -0.26 0.03 0.62 0.00 -1.09 -4.91 121.76 114.80 3mwb s ALA 49 Ca 0.15 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.67 3mwb s ALA 49 Cb 0.11 0.17 -0.32 0.00 0.00 0.00 0.00 23.12 23.09 3mwb s ALA 49 CO 0.23 -0.26 1.04 -0.44 0.00 0.00 0.00 175.76 176.33 3mwb h ASP 50 N 3.98 0.83 -5.05 0.00 3.32 -0.72 -3.39 116.42 115.40 3mwb h ASP 50 Ca -0.31 -0.87 -0.06 0.00 0.02 0.00 0.00 57.03 55.80 3mwb h ASP 50 Cb 1.19 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.33 3mwb h ASP 50 CO 0.44 1.63 -0.03 0.00 -1.72 0.00 0.00 179.24 179.56 3mwb s ALA 51 N -2.78 -1.09 0.00 3.45 0.00 -1.16 -4.42 121.76 115.76 3mwb s ALA 51 Ca -0.10 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3mwb s ALA 51 Cb 0.04 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.71 3mwb s ALA 51 CO 0.93 -0.57 0.00 0.00 0.00 0.00 0.00 175.76 176.12 3mwb n ALA 52 N 0.09 0.00 0.00 0.00 0.00 -0.44 -1.57 120.51 118.60 3mwb n ALA 52 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3mwb n ALA 52 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3mwb n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3mwb n VAL 54 N 0.00 0.00 -2.64 0.00 0.24 -0.60 -1.12 118.33 114.21 3mwb n VAL 54 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 3mwb n VAL 54 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 3mwb n VAL 54 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3mwb s PRO 55 N -2.50 4.03 0.00 7.34 0.04 -1.26 -0.67 135.00 141.97 3mwb s PRO 55 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3mwb s PRO 55 Cb 0.00 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3mwb s PRO 55 CO 0.00 -0.21 0.00 1.51 0.04 0.00 0.00 177.00 178.34 3mwb n ILE 56 N -0.96 0.00 -3.68 0.56 3.06 0.77 -4.45 119.36 114.67 3mwb n ILE 56 Ca 0.08 -0.12 -0.11 0.00 -2.50 0.00 0.00 62.75 60.10 3mwb n ILE 56 Cb 0.54 0.69 -0.09 0.00 0.54 0.00 0.00 39.64 41.32 3mwb n ILE 56 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 3mwb s GLU 57 N -0.55 0.57 -1.02 9.51 2.56 -0.98 -4.95 118.70 123.84 3mwb s GLU 57 Ca 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 54.97 55.86 3mwb s GLU 57 Cb 0.00 0.15 0.00 0.00 2.00 0.00 0.00 34.13 36.28 3mwb s GLU 57 CO 0.00 -0.13 0.86 0.09 -0.56 0.00 0.00 175.26 175.52 3mwb n ASN 58 N 3.73 -2.60 -4.69 -1.70 3.02 -1.26 -0.87 115.26 110.89 3mwb n ASN 58 Ca -0.19 -0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 53.44 3mwb n ASN 58 Cb 0.57 -4.36 -0.04 0.00 -0.61 0.00 0.00 39.78 35.34 3mwb n ASN 58 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3mwb s SER 59 N -4.00 7.05 0.32 6.41 0.15 -1.26 -4.22 113.70 118.15 3mwb s SER 59 Ca 0.08 1.28 0.26 0.00 0.70 0.00 0.00 55.95 58.27 3mwb s SER 59 Cb -0.03 -2.47 1.02 0.00 -1.71 0.00 0.00 66.02 62.83 3mwb s SER 59 CO 0.61 -0.29 1.78 0.58 1.20 0.00 0.00 173.24 177.11 3mwb h VAL 60 N 4.99 0.00 -0.01 4.45 2.07 -1.93 -3.10 116.25 122.72 3mwb h VAL 60 Ca -0.35 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3mwb h VAL 60 Cb 1.17 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3mwb h VAL 60 CO 0.80 0.00 -0.01 -0.62 0.02 0.00 0.00 177.57 177.76 3mwb n GLU 61 N -2.46 0.69 0.00 1.57 -0.58 -1.26 -4.04 120.64 114.56 3mwb n GLU 61 Ca 0.02 -1.16 0.00 0.00 -0.42 0.00 0.00 57.16 55.60 3mwb n GLU 61 Cb 0.28 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 3mwb n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mwb n GLY 62 N 0.67 -1.55 1.30 0.62 0.00 -1.17 -4.94 105.19 100.12 3mwb n GLY 62 Ca 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3mwb n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwb n GLY 63 N 0.00 2.20 0.18 -0.02 0.00 -1.26 -4.77 105.19 101.51 3mwb n GLY 63 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3mwb n GLY 63 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mwb h VAL 64 N 0.00 0.77 -0.80 1.61 2.07 -1.93 -1.86 116.25 116.11 3mwb h VAL 64 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3mwb h VAL 64 Cb 0.00 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3mwb h VAL 64 CO 0.00 0.07 0.44 0.71 0.02 0.00 0.00 177.57 178.81 3mwb h THR 65 N -0.53 1.23 -0.71 2.57 1.35 -1.93 -1.58 112.91 113.32 3mwb h THR 65 Ca -0.04 -0.57 0.11 0.00 -0.55 0.00 0.00 66.41 65.36 3mwb h THR 65 Cb 0.39 0.15 -0.08 0.00 -1.73 0.00 0.00 68.15 66.88 3mwb h THR 65 CO 0.06 0.26 0.32 0.00 -0.25 0.00 0.00 175.52 175.91 3mwb h ALA 66 N 1.37 0.98 -0.26 6.62 0.00 -1.93 -1.67 119.26 124.37 3mwb h ALA 66 Ca 0.28 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3mwb h ALA 66 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3mwb h ALA 66 CO -0.05 -0.13 0.10 1.15 0.00 0.00 0.00 179.25 180.33 3mwb h THR 67 N 0.52 1.17 -0.57 0.00 2.02 -0.45 -0.34 112.91 115.26 3mwb h THR 67 Ca 0.37 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3mwb h THR 67 Cb 0.46 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3mwb h THR 67 CO -0.32 0.18 0.18 -0.07 0.37 0.00 0.00 175.52 175.86 3mwb h LEU 68 N 0.27 0.79 0.05 2.58 3.38 -1.07 -2.30 115.31 119.01 3mwb h LEU 68 Ca 0.09 -0.12 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 3mwb h LEU 68 Cb 0.18 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.75 3mwb h LEU 68 CO -0.01 0.74 -1.15 0.44 0.09 0.00 0.00 178.44 178.56 3mwb h ASP 69 N 0.83 0.87 -0.67 -0.43 3.32 -1.18 -3.31 116.42 115.85 3mwb h ASP 69 Ca 0.19 -0.75 -0.07 0.00 0.02 0.00 0.00 57.03 56.41 3mwb h ASP 69 Cb 0.23 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3mwb h ASP 69 CO -0.01 1.56 0.14 0.00 -1.72 0.00 0.00 179.24 179.20 3mwb h ALA 70 N 0.37 0.95 -0.00 3.45 0.00 -0.70 -2.59 119.26 120.74 3mwb h ALA 70 Ca -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3mwb h ALA 70 Cb 1.81 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3mwb h ALA 70 CO 0.22 0.66 -0.02 0.44 0.00 0.00 0.00 179.25 180.55 3mwb n ILE 71 N -4.22 0.00 1.07 0.00 -5.35 -0.90 -3.34 119.36 106.61 3mwb n ILE 71 Ca 0.05 -0.03 0.12 0.00 -0.27 0.00 0.00 62.75 62.62 3mwb n ILE 71 Cb 0.28 -0.36 0.10 0.00 -1.74 0.00 0.00 39.64 37.91 3mwb n ILE 71 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mwb n ALA 72 N -1.01 3.47 -2.77 -1.28 0.00 -0.98 -4.92 120.51 113.03 3mwb n ALA 72 Ca 0.19 -0.58 -0.10 0.00 0.00 0.00 0.00 53.44 52.95 3mwb n ALA 72 Cb 0.20 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 3mwb n ALA 72 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mwb s THR 73 N -2.50 0.12 0.00 0.00 -4.23 -1.21 -5.05 115.64 102.77 3mwb s THR 73 Ca 0.20 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3mwb s THR 73 Cb 0.18 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.98 3mwb s THR 73 CO 0.57 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3mwb n GLY 74 N 0.46 -1.11 3.69 3.99 0.00 -1.26 -4.93 105.19 106.03 3mwb n GLY 74 Ca -0.18 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3mwb n GLY 74 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mwb n GLN 75 N 0.00 1.97 -1.73 1.61 1.13 -1.26 -4.90 117.38 114.21 3mwb n GLN 75 Ca 0.00 0.70 -0.42 0.00 -1.94 0.00 0.00 57.00 55.34 3mwb n GLN 75 Cb 0.00 -2.29 -0.00 0.00 0.11 0.00 0.00 30.24 28.06 3mwb n GLN 75 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3mwb n GLU 76 N 0.40 2.32 -4.15 -1.09 0.28 -1.26 -5.03 120.64 112.10 3mwb n GLU 76 Ca 0.06 0.81 -0.10 0.00 -0.16 0.00 0.00 57.16 57.77 3mwb n GLU 76 Cb 0.37 -2.46 -0.10 0.00 1.43 0.00 0.00 31.44 30.68 3mwb n GLU 76 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3mwb s LEU 77 N -1.48 2.35 -0.03 -1.84 1.43 -1.26 -4.36 118.68 113.48 3mwb s LEU 77 Ca 0.55 -1.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3mwb s LEU 77 Cb -0.53 0.06 0.01 0.00 0.03 0.00 0.00 46.19 45.77 3mwb s LEU 77 CO 0.62 -0.55 -0.05 -0.13 0.23 0.00 0.00 176.35 176.47 3mwb s ARG 78 N -3.90 0.71 -0.07 1.70 1.81 0.12 -4.52 118.95 114.81 3mwb s ARG 78 Ca 0.14 -0.13 -0.30 0.00 -1.72 0.00 0.00 55.73 53.72 3mwb s ARG 78 Cb 0.06 -0.72 -0.04 0.00 -0.45 0.00 0.00 34.95 33.80 3mwb s ARG 78 CO -0.04 -0.02 1.42 0.42 -0.68 0.00 0.00 175.30 176.40 3mwb s ILE 79 N 0.61 3.88 -0.37 1.52 1.01 -0.33 -0.31 121.20 127.20 3mwb s ILE 79 Ca -0.08 1.15 0.15 0.00 0.00 0.00 0.00 60.65 61.87 3mwb s ILE 79 Cb -0.11 -3.74 -0.20 0.00 0.01 0.00 0.00 42.46 38.42 3mwb s ILE 79 CO 0.00 -0.06 0.49 2.30 0.00 0.00 0.00 174.94 177.67 3mwb n ILE 80 N 5.10 0.00 -3.58 2.92 -5.35 -0.09 -4.39 119.36 113.97 3mwb n ILE 80 Ca 0.14 -0.25 -0.16 0.00 -0.27 0.00 0.00 62.75 62.21 3mwb n ILE 80 Cb 0.44 0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 38.86 3mwb n ILE 80 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3mwb s ARG 81 N -2.72 0.94 0.15 6.28 3.52 -1.23 -4.68 118.95 121.21 3mwb s ARG 81 Ca 0.00 0.44 0.10 0.00 -0.13 0.00 0.00 55.73 56.14 3mwb s ARG 81 Cb 0.11 0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 33.90 3mwb s ARG 81 CO 0.62 -0.24 -0.22 -1.83 -0.81 0.00 0.00 175.30 172.82 3mwb s GLU 82 N -0.69 1.33 -0.00 5.12 -1.05 -1.26 -0.75 118.70 121.39 3mwb s GLU 82 Ca -0.08 -1.36 0.03 0.00 -0.15 0.00 0.00 54.97 53.41 3mwb s GLU 82 Cb -0.02 -1.61 -0.01 0.00 -0.44 0.00 0.00 34.13 32.05 3mwb s GLU 82 CO 0.07 0.36 -0.09 0.00 0.95 0.00 0.00 175.26 176.54 3mwb s ALA 83 N -1.49 0.78 -0.33 -0.84 0.00 -0.61 -4.52 121.76 114.75 3mwb s ALA 83 Ca 0.14 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.70 3mwb s ALA 83 Cb -0.08 -0.19 0.09 0.00 0.00 0.00 0.00 23.12 22.94 3mwb s ALA 83 CO 0.07 0.18 0.03 -0.51 0.00 0.00 0.00 175.76 175.53 3mwb s LEU 84 N -0.30 4.42 -0.31 0.00 1.43 -1.26 -0.72 118.68 121.94 3mwb s LEU 84 Ca 0.03 -1.86 -0.08 0.00 -1.03 0.00 0.00 54.13 51.19 3mwb s LEU 84 Cb -0.04 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3mwb s LEU 84 CO -0.00 -0.34 0.11 -0.69 0.23 0.00 0.00 176.35 175.66 3mwb s VAL 85 N 1.02 4.20 0.21 -1.59 1.01 -0.37 -4.92 120.40 119.97 3mwb s VAL 85 Ca 0.04 -0.64 -0.32 0.00 0.00 0.00 0.00 61.98 61.06 3mwb s VAL 85 Cb -0.20 -3.18 -0.14 0.00 0.00 0.00 0.00 36.38 32.86 3mwb s VAL 85 CO -0.06 0.04 1.34 -2.65 0.00 0.00 0.00 175.10 173.78 3mwb n PRO 86 N 4.91 1.77 -3.53 2.72 -0.02 -1.26 -1.48 135.00 138.11 3mwb n PRO 86 Ca -0.14 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.60 3mwb n PRO 86 Cb 0.48 -2.25 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 3mwb n PRO 86 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mwb s ILE 87 N -0.04 5.28 -0.07 4.25 1.01 -0.16 -4.90 121.20 126.58 3mwb s ILE 87 Ca 0.70 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.82 3mwb s ILE 87 Cb -0.71 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.16 3mwb s ILE 87 CO 0.50 0.30 -0.13 -0.89 0.00 0.00 0.00 174.94 174.72 3mwb s THR 88 N 1.14 1.23 -0.10 2.92 2.01 -1.26 -4.81 115.64 116.77 3mwb s THR 88 Ca 0.13 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 3mwb s THR 88 Cb -0.14 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 3mwb s THR 88 CO 0.06 0.38 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.00 3mwb s PHE 89 N 0.70 3.13 0.10 4.92 0.08 -1.26 -4.33 117.98 121.33 3mwb s PHE 89 Ca -0.14 0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.12 3mwb s PHE 89 Cb -0.16 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 3mwb s PHE 89 CO 0.03 0.38 -0.19 0.14 -0.10 0.00 0.00 175.22 175.48 3mwb s VAL 90 N -0.64 2.74 -0.21 -0.44 -7.23 -0.53 -1.20 120.40 112.89 3mwb s VAL 90 Ca 0.10 -1.47 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 3mwb s VAL 90 Cb -0.12 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 3mwb s VAL 90 CO 0.02 0.15 0.20 -0.22 -0.31 0.00 0.00 175.10 174.94 3mwb s LEU 91 N -1.96 4.18 0.05 1.32 2.96 0.03 -1.72 118.68 123.53 3mwb s LEU 91 Ca 0.17 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.40 3mwb s LEU 91 Cb -0.10 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 3mwb s LEU 91 CO 0.08 0.10 -0.16 0.54 -1.32 0.00 0.00 176.35 175.59 3mwb s VAL 92 N 0.71 1.29 0.23 1.68 0.11 0.63 -0.09 120.40 124.96 3mwb s VAL 92 Ca 0.11 -1.11 -0.21 0.00 -2.93 0.00 0.00 61.98 57.84 3mwb s VAL 92 Cb -0.13 -1.16 0.03 0.00 -1.53 0.00 0.00 36.38 33.60 3mwb s VAL 92 CO 0.02 0.03 0.65 0.00 -3.33 0.00 0.00 175.10 172.47 3mwb s ALA 93 N -0.89 -1.24 0.62 1.54 0.00 -0.42 -0.84 121.76 120.53 3mwb s ALA 93 Ca 0.03 -0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.72 3mwb s ALA 93 Cb -0.08 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3mwb s ALA 93 CO 0.02 -0.92 1.15 1.03 0.00 0.00 0.00 175.76 177.03 3mwb s ARG 94 N -3.87 2.93 0.29 0.00 3.00 -1.26 -0.24 118.95 119.81 3mwb s ARG 94 Ca 0.08 1.60 -0.29 0.00 0.00 0.00 0.00 55.73 57.12 3mwb s ARG 94 Cb -0.04 -1.95 -0.13 0.00 0.00 0.00 0.00 34.95 32.83 3mwb s ARG 94 CO 0.00 -1.18 1.20 -2.30 0.00 0.00 0.00 175.30 173.02 3mwb n PRO 95 N -1.92 1.75 0.00 3.54 -0.02 -1.26 -2.51 135.00 134.58 3mwb n PRO 95 Ca 0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3mwb n PRO 95 Cb 0.51 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3mwb n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mwb n GLY 96 N 1.28 3.27 3.70 -1.23 0.00 -1.26 -5.03 105.19 105.91 3mwb n GLY 96 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3mwb n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mwb s VAL 97 N -2.47 4.84 0.43 1.61 1.01 -1.04 -5.05 120.40 119.72 3mwb s VAL 97 Ca 0.00 2.05 0.07 0.00 0.00 0.00 0.00 61.98 64.10 3mwb s VAL 97 Cb 0.00 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 3mwb s VAL 97 CO 0.00 0.10 0.21 -1.61 0.00 0.00 0.00 175.10 173.80 3mwb s GLU 98 N 1.40 2.25 0.22 2.72 0.41 -1.26 -4.91 118.70 119.53 3mwb s GLU 98 Ca 0.50 -1.86 -0.10 0.00 -0.41 0.00 0.00 54.97 53.11 3mwb s GLU 98 Cb -0.20 -2.00 0.33 0.00 -1.78 0.00 0.00 34.13 30.48 3mwb s GLU 98 CO 0.24 -0.17 1.66 -0.07 -0.49 0.00 0.00 175.26 176.42 3mwb h LEU 99 N 1.34 -0.30 -2.61 1.80 4.07 -1.96 -0.20 115.31 117.44 3mwb h LEU 99 Ca -0.42 0.16 0.01 0.00 0.08 0.00 0.00 57.88 57.71 3mwb h LEU 99 Cb 1.26 0.29 -0.00 0.00 1.08 0.00 0.00 40.66 43.29 3mwb h LEU 99 CO 0.68 -0.13 0.10 0.77 -1.08 0.00 0.00 178.44 178.78 3mwb h SER 100 N 0.11 0.00 0.12 -0.43 4.64 -1.96 -2.41 113.55 113.62 3mwb h SER 100 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3mwb h SER 100 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3mwb h SER 100 CO -0.56 0.00 -0.05 0.47 -0.87 0.00 0.00 176.83 175.82 3mwb n ASP 101 N -3.25 0.72 -4.54 4.97 8.00 -0.09 -4.86 116.55 117.50 3mwb n ASP 101 Ca -0.02 -1.03 -0.40 0.00 0.71 0.00 0.00 54.79 54.04 3mwb n ASP 101 Cb 0.17 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 3mwb n ASP 101 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mwb s ILE 102 N -2.18 5.21 -0.06 0.53 1.01 -0.91 -4.89 121.20 119.92 3mwb s ILE 102 Ca 0.37 -0.02 0.11 0.00 0.00 0.00 0.00 60.65 61.10 3mwb s ILE 102 Cb 0.21 -3.77 -0.16 0.00 0.01 0.00 0.00 42.46 38.75 3mwb s ILE 102 CO 0.40 -0.05 0.15 0.29 0.00 0.00 0.00 174.94 175.73 3mwb n LYS 103 N 5.28 1.25 -4.19 2.79 4.76 -1.26 -4.63 118.16 122.15 3mwb n LYS 103 Ca -0.10 -0.06 -0.19 0.00 -2.87 0.00 0.00 58.31 55.09 3mwb n LYS 103 Cb 0.50 -1.28 -0.16 0.00 -1.84 0.00 0.00 35.03 32.25 3mwb n LYS 103 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3mwb s ARG 104 N -2.55 0.75 -0.10 1.97 1.04 -1.26 -0.13 118.95 118.66 3mwb s ARG 104 Ca -0.05 -0.14 0.02 0.00 -1.04 0.00 0.00 55.73 54.52 3mwb s ARG 104 Cb 0.05 -0.75 0.01 0.00 -2.04 0.00 0.00 34.95 32.23 3mwb s ARG 104 CO 0.46 -0.02 -0.18 0.42 -0.04 0.00 0.00 175.30 175.95 3mwb s ILE 105 N 0.61 1.66 -0.11 4.99 1.01 0.09 -1.40 121.20 128.04 3mwb s ILE 105 Ca -0.08 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 3mwb s ILE 105 Cb -0.11 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3mwb s ILE 105 CO 0.00 0.47 0.01 -0.55 0.00 0.00 0.00 174.94 174.87 3mwb s SER 106 N 0.76 5.27 0.16 3.58 0.15 -0.52 0.63 113.70 123.72 3mwb s SER 106 Ca -0.11 0.11 -0.24 0.00 0.70 0.00 0.00 55.95 56.41 3mwb s SER 106 Cb -0.16 -1.61 0.07 0.00 -1.71 0.00 0.00 66.02 62.61 3mwb s SER 106 CO 0.02 0.32 1.00 0.28 1.20 0.00 0.00 173.24 176.06 3mwb s THR 107 N -0.54 0.00 0.33 6.45 -1.32 -1.16 -2.60 115.64 116.81 3mwb s THR 107 Ca 0.09 -0.62 -0.29 0.00 -1.21 0.00 0.00 61.69 59.67 3mwb s THR 107 Cb -0.12 -2.32 -0.10 0.00 -1.51 0.00 0.00 72.50 68.45 3mwb s THR 107 CO 0.02 0.00 1.26 -2.28 -2.21 0.00 0.00 174.62 171.41 3mwb s HIS 108 N -2.83 3.14 0.45 9.09 5.65 -1.26 -0.44 115.29 129.09 3mwb s HIS 108 Ca 0.16 1.48 0.23 0.00 0.25 0.00 0.00 55.06 57.18 3mwb s HIS 108 Cb -0.01 -3.59 1.23 0.00 -1.18 0.00 0.00 32.58 29.03 3mwb s HIS 108 CO 0.03 -1.59 1.81 0.78 -0.65 0.00 0.00 174.74 175.12 3mwb h GLY 109 N 3.39 0.76 1.29 1.59 0.00 -1.88 -0.59 103.07 107.63 3mwb h GLY 109 Ca -0.49 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 3mwb h GLY 109 CO 0.65 -0.07 -0.05 0.45 0.00 0.00 0.00 176.54 177.52 3mwb h HIS 110 N 0.27 0.92 -0.05 5.60 3.86 -1.92 -1.72 115.15 122.11 3mwb h HIS 110 Ca 0.54 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.58 3mwb h HIS 110 Cb 1.61 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.84 3mwb h HIS 110 CO -0.00 0.86 -0.04 0.00 0.86 0.00 0.00 177.93 179.61 3mwb h ALA 111 N 1.16 0.08 -0.38 2.45 0.00 -1.28 -3.26 119.26 118.03 3mwb h ALA 111 Ca 0.14 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3mwb h ALA 111 Cb 0.54 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 3mwb h ALA 111 CO 0.03 -0.14 -0.17 2.35 0.00 0.00 0.00 179.25 181.32 3mwb h TRP 112 N -0.30 -0.41 0.00 0.00 2.91 -1.25 -1.59 115.95 115.32 3mwb h TRP 112 Ca 0.01 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 3mwb h TRP 112 Cb 0.53 0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 29.42 3mwb h TRP 112 CO 0.08 -0.25 -0.01 0.00 -1.03 0.00 0.00 178.44 177.24 3mwb h ALA 113 N 1.21 1.12 -0.02 2.65 0.00 -1.39 -1.39 119.26 121.43 3mwb h ALA 113 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3mwb h ALA 113 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mwb h ALA 113 CO -0.45 0.01 -0.16 1.04 0.00 0.00 0.00 179.25 179.69 3mwb n GLN 114 N -3.26 1.94 -0.18 0.00 6.02 -0.62 -4.29 117.38 116.98 3mwb n GLN 114 Ca -0.03 -1.60 0.06 0.00 -0.01 0.00 0.00 57.00 55.42 3mwb n GLN 114 Cb 0.10 -1.47 0.14 0.00 1.02 0.00 0.00 30.24 30.03 3mwb n GLN 114 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mwb h ARG 116 N 1.14 0.41 0.45 0.00 2.47 -1.74 -2.28 114.38 114.84 3mwb h ARG 116 Ca 0.00 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3mwb h ARG 116 Cb 0.90 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 3mwb h ARG 116 CO 0.06 0.27 -0.22 -0.07 0.56 0.00 0.00 179.97 180.57 3mwb h LEU 117 N 0.43 -0.52 -0.03 3.04 3.38 -1.88 0.69 115.31 120.42 3mwb h LEU 117 Ca 0.38 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 3mwb h LEU 117 Cb 0.55 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3mwb h LEU 117 CO -0.38 -0.30 0.02 -0.25 0.09 0.00 0.00 178.44 177.62 3mwb h TRP 118 N -0.70 0.04 0.04 1.13 7.01 -1.77 -2.44 115.95 119.26 3mwb h TRP 118 Ca -0.06 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 3mwb h TRP 118 Cb 0.51 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 3mwb h TRP 118 CO -0.02 0.08 -0.03 0.28 -2.79 0.00 0.00 178.44 175.96 3mwb h VAL 119 N -0.01 0.93 -0.80 2.65 2.07 -1.30 0.30 116.25 120.09 3mwb h VAL 119 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 3mwb h VAL 119 Cb 0.05 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3mwb h VAL 119 CO -0.00 0.00 0.52 0.44 0.02 0.00 0.00 177.57 178.55 3mwb h ASP 120 N -0.07 0.66 0.00 0.57 3.32 -0.87 0.46 116.42 120.48 3mwb h ASP 120 Ca -0.00 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3mwb h ASP 120 Cb 0.06 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3mwb h ASP 120 CO -0.00 0.39 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.62 3mwb h GLU 121 N 0.73 0.14 0.00 3.56 4.57 -1.05 -3.30 114.58 119.22 3mwb h GLU 121 Ca 0.37 -0.15 -0.16 0.00 -1.18 0.00 0.00 59.36 58.24 3mwb h GLU 121 Cb 0.47 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 3mwb h GLU 121 CO -0.14 0.90 -2.09 0.72 -1.18 0.00 0.00 179.01 177.21 3mwb n HIS 122 N -4.54 0.00 -3.12 0.92 8.25 0.06 -4.55 115.22 112.24 3mwb n HIS 122 Ca -0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.12 3mwb n HIS 122 Cb 0.49 -0.68 -0.05 0.00 1.12 0.00 0.00 29.99 30.87 3mwb n HIS 122 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3mwb n LEU 123 N -2.44 2.73 0.30 2.41 4.77 0.16 -4.97 117.00 119.96 3mwb n LEU 123 Ca -0.17 -5.32 0.17 0.00 -0.03 0.00 0.00 56.01 50.66 3mwb n LEU 123 Cb 0.81 -0.03 0.91 0.00 -2.33 0.00 0.00 43.42 42.78 3mwb n LEU 123 CO 0.41 2.26 1.07 1.55 -1.33 0.00 0.00 177.39 181.35 3mwb h PRO 124 N 3.28 0.00 -0.12 3.23 0.13 -1.62 -2.34 132.00 134.56 3mwb h PRO 124 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3mwb h PRO 124 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3mwb h PRO 124 CO 0.68 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.58 3mwb n ASN 125 N -3.43 3.10 -4.76 1.44 5.03 -1.26 -4.96 115.26 110.43 3mwb n ASN 125 Ca -0.02 -1.99 -0.39 0.00 0.87 0.00 0.00 54.58 53.04 3mwb n ASN 125 Cb 0.17 -0.07 -0.06 0.00 -1.02 0.00 0.00 39.78 38.81 3mwb n ASN 125 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3mwb s ALA 126 N -1.87 3.32 -0.09 5.41 0.00 -0.88 -4.93 121.76 122.72 3mwb s ALA 126 Ca 0.31 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 3mwb s ALA 126 Cb 0.21 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 3mwb s ALA 126 CO 0.31 0.08 0.03 -0.51 0.00 0.00 0.00 175.76 175.66 3mwb s ASP 127 N -1.21 5.43 -0.02 0.00 1.01 0.81 -4.96 116.67 117.74 3mwb s ASP 127 Ca 0.45 0.20 -0.30 0.00 0.71 0.00 0.00 52.55 53.60 3mwb s ASP 127 Cb -0.26 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.06 3mwb s ASP 127 CO 0.33 0.38 1.10 -0.47 0.21 0.00 0.00 175.17 176.72 3mwb s TYR 128 N -0.89 3.45 -0.31 4.23 5.04 -1.26 -0.73 117.35 126.87 3mwb s TYR 128 Ca 0.13 1.44 -0.04 0.00 -2.44 0.00 0.00 57.07 56.17 3mwb s TYR 128 Cb -0.11 -3.29 0.04 0.00 0.35 0.00 0.00 41.96 38.94 3mwb s TYR 128 CO 0.03 -0.74 0.04 0.08 -1.34 0.00 0.00 175.55 173.62 3mwb s VAL 129 N 1.54 3.39 0.26 3.14 1.01 0.20 -4.88 120.40 125.06 3mwb s VAL 129 Ca 0.54 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3mwb s VAL 129 Cb -0.24 -2.89 -0.11 0.00 0.00 0.00 0.00 36.38 33.14 3mwb s VAL 129 CO 0.25 -0.09 1.59 -2.84 0.00 0.00 0.00 175.10 174.01 3mwb s PRO 130 N 1.34 4.15 0.31 2.72 0.02 -1.26 -2.97 135.00 139.31 3mwb s PRO 130 Ca -0.03 2.53 0.10 0.00 0.02 0.00 0.00 61.00 63.62 3mwb s PRO 130 Cb -0.19 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 3mwb s PRO 130 CO 0.01 -0.62 -0.06 0.20 -0.33 0.00 0.00 177.00 176.20 3mwb s GLY 131 N 0.63 1.96 0.21 0.52 0.00 0.42 -4.82 107.32 106.24 3mwb s GLY 131 Ca 0.65 -1.90 0.03 0.00 0.00 0.00 0.00 44.72 43.50 3mwb s GLY 131 CO 0.44 -1.90 1.50 1.48 0.00 0.00 0.00 173.10 174.61 3mwb h SER 132 N 1.96 0.32 -5.08 1.64 4.64 -1.95 -3.38 113.55 111.69 3mwb h SER 132 Ca -0.42 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 60.69 3mwb h SER 132 Cb 1.25 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 3mwb h SER 132 CO 0.64 0.90 0.07 -0.94 -0.87 0.00 0.00 176.83 176.64 3mwb s SER 133 N -6.92 -0.27 0.18 4.97 1.04 -1.26 -4.91 113.70 106.53 3mwb s SER 133 Ca -0.04 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 55.75 3mwb s SER 133 Cb 0.11 0.61 0.08 0.00 0.10 0.00 0.00 66.02 66.92 3mwb s SER 133 CO 0.81 -1.11 1.80 0.71 0.98 0.00 0.00 173.24 176.43 3mwb h THR 134 N 2.14 1.18 -0.09 2.02 1.35 -1.88 -2.18 112.91 115.47 3mwb h THR 134 Ca -0.27 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3mwb h THR 134 Cb 1.26 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3mwb h THR 134 CO 0.34 0.19 0.06 0.00 -0.25 0.00 0.00 175.52 175.86 3mwb h ALA 135 N 1.16 0.11 -0.98 6.62 0.00 -1.88 -0.76 119.26 123.54 3mwb h ALA 135 Ca 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3mwb h ALA 135 Cb 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3mwb h ALA 135 CO -0.04 -0.39 0.65 0.00 0.00 0.00 0.00 179.25 179.47 3mwb h ALA 136 N 1.02 1.25 -0.34 0.00 0.00 -1.88 -2.31 119.26 117.00 3mwb h ALA 136 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3mwb h ALA 136 Cb -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3mwb h ALA 136 CO -0.01 0.63 0.21 0.77 0.00 0.00 0.00 179.25 180.85 3mwb h SER 137 N 1.32 0.35 0.00 0.00 0.02 -1.10 0.39 113.55 114.53 3mwb h SER 137 Ca 0.36 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3mwb h SER 137 Cb -0.15 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.32 3mwb h SER 137 CO -0.08 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.86 3mwb n ALA 138 N -2.21 1.13 0.00 3.77 0.00 -0.32 -3.64 120.51 119.25 3mwb n ALA 138 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mwb n ALA 138 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3mwb n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mwb n GLY 140 N 0.51 0.00 0.26 0.00 0.00 0.13 -4.22 105.19 101.86 3mwb n GLY 140 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3mwb n GLY 140 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mwb h LEU 141 N 0.00 0.00 -0.51 0.99 3.38 -1.84 -2.70 115.31 114.62 3mwb h LEU 141 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mwb h LEU 141 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3mwb h LEU 141 CO 0.00 0.00 -0.03 0.18 0.09 0.00 0.00 178.44 178.68 3mwb n LEU 142 N -2.84 0.83 -4.94 1.67 4.77 -1.26 -4.85 117.00 110.37 3mwb n LEU 142 Ca -0.01 -0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.49 3mwb n LEU 142 Cb 0.17 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3mwb n LEU 142 CO 0.21 0.14 0.24 -0.70 -1.33 0.00 0.00 177.39 175.95 3mwb s GLU 143 N -2.10 3.37 0.03 3.23 2.56 -1.02 -5.06 118.70 119.72 3mwb s GLU 143 Ca 0.39 -0.31 -0.30 0.00 0.00 0.00 0.00 54.97 54.74 3mwb s GLU 143 Cb 0.21 -2.60 -0.05 0.00 2.00 0.00 0.00 34.13 33.69 3mwb s GLU 143 CO 0.38 -0.01 1.21 -0.51 -0.56 0.00 0.00 175.26 175.76 3mwb s ASP 144 N -4.10 7.07 -1.34 -1.70 1.11 -1.26 -3.84 116.67 112.61 3mwb s ASP 144 Ca 0.43 1.97 -0.01 0.00 0.18 0.00 0.00 52.55 55.12 3mwb s ASP 144 Cb -0.10 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.32 3mwb s ASP 144 CO 0.38 -0.50 0.66 -0.90 1.18 0.00 0.00 175.17 175.98 3mwb n ASP 145 N 4.29 -1.15 -4.68 0.27 5.75 -1.26 -4.93 116.55 114.84 3mwb n ASP 145 Ca 0.10 -0.86 -0.42 0.00 -0.01 0.00 0.00 54.79 53.60 3mwb n ASP 145 Cb 0.46 -3.85 -0.00 0.00 -1.03 0.00 0.00 41.12 36.70 3mwb n ASP 145 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mwb n ALA 146 N -4.32 1.04 1.21 2.12 0.00 -1.25 -4.86 120.51 114.45 3mwb n ALA 146 Ca -0.29 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3mwb n ALA 146 Cb 0.67 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3mwb n ALA 146 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3mwb n PRO 147 N 0.43 0.86 -4.03 0.00 -0.04 -1.26 -4.76 135.00 126.19 3mwb n PRO 147 Ca 0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 3mwb n PRO 147 Cb 0.37 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 3mwb n PRO 147 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3mwb s TYR 148 N -1.40 0.56 0.00 0.54 -0.85 -1.26 -4.93 117.35 110.01 3mwb s TYR 148 Ca 0.00 -0.90 0.00 0.00 -0.52 0.00 0.00 57.07 55.65 3mwb s TYR 148 Cb 0.00 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.42 3mwb s TYR 148 CO 0.00 -1.00 0.00 0.39 -1.52 0.00 0.00 175.55 173.42 3mwb n GLU 149 N -0.41 4.69 -4.00 -3.49 4.71 -0.50 -4.97 120.64 116.68 3mwb n GLU 149 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.06 3mwb n GLU 149 Cb 0.62 -0.63 -0.09 0.00 -1.01 0.00 0.00 31.44 30.33 3mwb n GLU 149 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mwb s ALA 150 N -1.25 0.23 0.09 0.62 0.00 -1.07 -4.52 121.76 115.85 3mwb s ALA 150 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3mwb s ALA 150 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3mwb s ALA 150 CO 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 175.76 175.27 3mwb s ALA 151 N -3.76 0.97 -0.19 0.00 0.00 -0.02 -1.45 121.76 117.32 3mwb s ALA 151 Ca 0.05 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 3mwb s ALA 151 Cb 0.06 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 3mwb s ALA 151 CO -0.10 -0.08 -0.10 0.42 0.00 0.00 0.00 175.76 175.90 3mwb s ILE 152 N -2.53 3.03 0.17 0.00 1.01 -1.07 -0.27 121.20 121.53 3mwb s ILE 152 Ca 0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 3mwb s ILE 152 Cb -0.02 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.13 3mwb s ILE 152 CO -0.01 0.47 0.27 0.00 0.00 0.00 0.00 174.94 175.67 3mwb s ALA 154 N -1.92 2.96 0.49 0.00 0.00 -1.26 -1.45 121.76 120.58 3mwb s ALA 154 Ca 0.11 0.42 0.18 0.00 0.00 0.00 0.00 51.96 52.67 3mwb s ALA 154 Cb -0.01 -3.18 1.20 0.00 0.00 0.00 0.00 23.12 21.13 3mwb s ALA 154 CO 0.08 -0.19 2.03 -1.35 0.00 0.00 0.00 175.76 176.33 3mwb h PRO 155 N 1.42 0.18 -0.23 0.00 0.11 -1.94 -3.10 132.00 128.44 3mwb h PRO 155 Ca -0.48 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3mwb h PRO 155 Cb 1.20 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 3mwb h PRO 155 CO 0.60 0.12 -0.45 1.25 -0.21 0.00 0.00 178.00 179.31 3mwb h LEU 156 N 0.18 -1.45 -0.98 2.35 5.85 -1.93 -1.14 115.31 118.19 3mwb h LEU 156 Ca 0.19 0.20 -0.11 0.00 0.84 0.00 0.00 57.88 59.00 3mwb h LEU 156 Cb 0.53 0.60 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3mwb h LEU 156 CO -0.03 -0.42 -0.51 -0.29 -0.34 0.00 0.00 178.44 176.85 3mwb h ILE 157 N -0.46 1.36 -0.24 4.05 2.10 -1.70 -2.27 117.51 120.36 3mwb h ILE 157 Ca 0.09 -1.74 -0.02 0.00 1.08 0.00 0.00 64.86 64.26 3mwb h ILE 157 Cb 0.62 1.94 -0.01 0.00 -1.09 0.00 0.00 36.82 38.28 3mwb h ILE 157 CO -0.47 0.50 0.07 0.00 -1.08 0.00 0.00 178.15 177.17 3mwb h ALA 158 N 1.49 0.32 0.00 0.18 0.00 -1.50 -1.71 119.26 118.04 3mwb h ALA 158 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3mwb h ALA 158 Cb 0.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3mwb h ALA 158 CO 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 3mwb h ALA 159 N 0.90 1.34 0.00 0.00 0.00 -0.73 -3.14 119.26 117.63 3mwb h ALA 159 Ca 0.08 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 3mwb h ALA 159 Cb 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3mwb h ALA 159 CO -0.00 0.08 -1.89 0.39 0.00 0.00 0.00 179.25 177.83 3mwb n GLU 160 N -3.66 0.65 -3.52 0.00 1.02 -0.90 -4.85 120.64 109.38 3mwb n GLU 160 Ca -0.02 0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 3mwb n GLU 160 Cb 0.17 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 3mwb n GLU 160 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3mwb s GLN 161 N -2.83 3.13 0.33 3.49 -1.52 -0.66 -4.97 119.66 116.64 3mwb s GLN 161 Ca -0.06 -0.89 0.01 0.00 -1.95 0.00 0.00 55.36 52.46 3mwb s GLN 161 Cb 0.09 -3.85 0.57 0.00 -0.22 0.00 0.00 33.01 29.60 3mwb s GLN 161 CO 0.84 -0.62 1.99 -1.35 -0.25 0.00 0.00 175.29 175.89 3mwb h PRO 162 N 8.53 0.89 0.00 2.91 0.11 -1.89 -1.82 132.00 140.74 3mwb h PRO 162 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3mwb h PRO 162 Cb 1.13 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3mwb h PRO 162 CO 0.68 0.60 0.00 0.41 -0.21 0.00 0.00 178.00 179.49 3mwb n GLY 163 N -1.39 -0.69 3.42 -0.55 0.00 -1.26 -4.64 105.19 100.08 3mwb n GLY 163 Ca 0.07 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3mwb n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mwb s LEU 164 N -2.16 3.12 -0.10 0.99 1.43 -0.68 -4.19 118.68 117.08 3mwb s LEU 164 Ca 0.26 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3mwb s LEU 164 Cb 0.13 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3mwb s LEU 164 CO 0.24 0.07 -0.05 0.21 0.23 0.00 0.00 176.35 177.06 3mwb s ASN 165 N 0.92 4.76 -0.42 2.29 2.47 0.67 -4.90 114.94 120.73 3mwb s ASN 165 Ca 0.00 -0.05 -0.28 0.00 0.42 0.00 0.00 52.86 52.96 3mwb s ASN 165 Cb -0.14 -1.44 0.02 0.00 -1.45 0.00 0.00 41.25 38.24 3mwb s ASN 165 CO 0.01 0.29 1.05 -0.69 -3.72 0.00 0.00 177.10 174.05 3mwb s VAL 166 N -0.37 4.38 -0.03 -5.21 1.01 -1.26 -1.30 120.40 117.61 3mwb s VAL 166 Ca 0.06 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 3mwb s VAL 166 Cb -0.12 -4.49 -0.27 0.00 0.00 0.00 0.00 36.38 31.50 3mwb s VAL 166 CO 0.02 -0.79 0.71 -0.07 0.00 0.00 0.00 175.10 174.98 3mwb h LEU 167 N 10.67 0.36 -7.54 3.92 4.07 -0.85 -3.47 115.31 122.47 3mwb h LEU 167 Ca -0.23 -0.58 -0.20 0.00 0.08 0.00 0.00 57.88 56.95 3mwb h LEU 167 Cb 1.07 -0.12 -0.28 0.00 1.08 0.00 0.00 40.66 42.41 3mwb h LEU 167 CO 1.07 1.50 -0.55 0.00 -1.08 0.00 0.00 178.44 179.38 3mwb s ALA 168 N -2.60 -0.37 -0.09 1.53 0.00 -1.09 -4.98 121.76 114.16 3mwb s ALA 168 Ca -0.12 0.51 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 3mwb s ALA 168 Cb 0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3mwb s ALA 168 CO 0.83 -0.09 0.09 -1.21 0.00 0.00 0.00 175.76 175.37 3mwb s GLU 169 N 0.35 3.23 -0.89 0.00 2.02 -1.26 -0.79 118.70 121.35 3mwb s GLU 169 Ca -0.02 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.63 3mwb s GLU 169 Cb -0.03 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.18 3mwb s GLU 169 CO -0.01 0.73 0.75 -3.47 0.02 0.00 0.00 175.26 173.28 3mwb n ASP 170 N 1.88 -6.73 -1.00 -0.19 2.03 -0.34 -4.93 116.55 107.27 3mwb n ASP 170 Ca -0.18 -0.50 0.09 0.00 0.52 0.00 0.00 54.79 54.71 3mwb n ASP 170 Cb 0.54 -4.48 0.24 0.00 -0.72 0.00 0.00 41.12 36.70 3mwb n ASP 170 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3mwb n ILE 171 N -2.64 1.06 -2.27 5.18 -5.35 -0.82 -4.91 119.36 109.62 3mwb n ILE 171 Ca -0.07 -1.03 -0.33 0.00 -0.27 0.00 0.00 62.75 61.05 3mwb n ILE 171 Cb 0.57 0.47 -0.01 0.00 -1.74 0.00 0.00 39.64 38.93 3mwb n ILE 171 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3mwb s GLY 172 N -1.02 2.24 0.30 3.28 0.00 -1.26 -4.46 107.32 106.41 3mwb s GLY 172 Ca 0.36 0.43 0.14 0.00 0.00 0.00 0.00 44.72 45.65 3mwb s GLY 172 CO 0.24 0.74 1.61 -0.55 0.00 0.00 0.00 173.10 175.13 3mwb h ASP 173 N 0.90 0.00 -3.59 1.64 3.32 -0.35 -3.44 116.42 114.89 3mwb h ASP 173 Ca -0.48 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 55.90 3mwb h ASP 173 Cb 1.21 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.41 3mwb h ASP 173 CO 0.59 0.54 -0.80 0.21 -1.72 0.00 0.00 179.24 178.06 3mwb s ASN 174 N -6.59 4.12 0.39 6.45 2.47 -1.26 -4.99 114.94 115.52 3mwb s ASN 174 Ca 0.00 -1.10 0.07 0.00 0.42 0.00 0.00 52.86 52.25 3mwb s ASN 174 Cb 0.11 -1.56 0.80 0.00 -1.45 0.00 0.00 41.25 39.14 3mwb s ASN 174 CO 0.73 -0.14 1.99 1.55 -3.72 0.00 0.00 177.10 177.51 3mwb h PRO 175 N 7.87 0.45 -0.45 0.43 0.13 -1.96 -2.69 132.00 135.78 3mwb h PRO 175 Ca -0.28 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3mwb h PRO 175 Cb 1.08 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3mwb h PRO 175 CO 0.53 0.39 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 3mwb n ASP 176 N -4.39 2.68 -4.70 1.44 9.92 -1.26 -4.95 116.55 115.28 3mwb n ASP 176 Ca 0.02 -1.96 -0.42 0.00 -0.53 0.00 0.00 54.79 51.90 3mwb n ASP 176 Cb 0.15 -0.30 -0.03 0.00 -0.64 0.00 0.00 41.12 40.30 3mwb n ASP 176 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mwb s ALA 177 N -1.40 3.82 0.01 2.24 0.00 -1.02 -4.96 121.76 120.45 3mwb s ALA 177 Ca 0.35 1.49 -0.05 0.00 0.00 0.00 0.00 51.96 53.74 3mwb s ALA 177 Cb 0.18 -3.74 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 3mwb s ALA 177 CO 0.25 -1.12 0.09 0.14 0.00 0.00 0.00 175.76 175.11 3mwb s VAL 178 N 2.23 0.09 -0.13 0.00 -7.23 -1.26 -0.98 120.40 113.11 3mwb s VAL 178 Ca 0.79 -0.75 -0.04 0.00 -1.81 0.00 0.00 61.98 60.17 3mwb s VAL 178 Cb -0.47 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 3mwb s VAL 178 CO 0.35 -0.41 0.03 -0.89 -0.31 0.00 0.00 175.10 173.87 3mwb s THR 179 N -1.40 4.57 -0.18 5.32 2.01 -0.55 -4.71 115.64 120.70 3mwb s THR 179 Ca -0.15 -0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 3mwb s THR 179 Cb -0.08 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3mwb s THR 179 CO 0.01 0.55 0.31 -0.60 -0.69 0.00 0.00 174.62 174.20 3mwb s ARG 180 N -0.37 4.22 0.26 4.92 3.52 -0.05 -1.23 118.95 130.22 3mwb s ARG 180 Ca 0.08 0.10 0.11 0.00 -0.13 0.00 0.00 55.73 55.89 3mwb s ARG 180 Cb -0.12 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 3mwb s ARG 180 CO 0.02 0.14 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.44 3mwb s PHE 181 N 0.77 2.41 0.03 5.12 0.40 0.10 -0.16 117.98 126.65 3mwb s PHE 181 Ca 0.17 -0.30 0.05 0.00 -0.60 0.00 0.00 56.93 56.24 3mwb s PHE 181 Cb -0.14 -1.07 -0.02 0.00 0.51 0.00 0.00 43.02 42.30 3mwb s PHE 181 CO 0.05 0.66 -0.15 0.96 0.70 0.00 0.00 175.22 177.44 3mwb s ILE 182 N -2.32 1.18 -0.24 0.64 -4.36 0.15 -1.57 121.20 114.67 3mwb s ILE 182 Ca 0.29 -0.96 -0.06 0.00 -0.26 0.00 0.00 60.65 59.65 3mwb s ILE 182 Cb -0.06 -1.05 -0.02 0.00 1.25 0.00 0.00 42.46 42.58 3mwb s ILE 182 CO 0.16 0.08 0.04 -0.22 0.24 0.00 0.00 174.94 175.23 3mwb s LEU 183 N -1.02 3.32 -0.11 0.37 2.96 0.07 -1.56 118.68 122.72 3mwb s LEU 183 Ca 0.03 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3mwb s LEU 183 Cb -0.08 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3mwb s LEU 183 CO 0.01 -0.02 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.12 3mwb s VAL 184 N 1.54 2.40 0.44 1.68 1.01 -0.27 -0.91 120.40 126.29 3mwb s VAL 184 Ca 0.06 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3mwb s VAL 184 Cb -0.15 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3mwb s VAL 184 CO 0.02 0.55 0.07 -0.94 0.00 0.00 0.00 175.10 174.80 3mwb s SER 185 N 0.34 3.30 0.72 3.32 1.04 0.57 -1.33 113.70 121.67 3mwb s SER 185 Ca -0.16 -1.64 -0.13 0.00 0.48 0.00 0.00 55.95 54.49 3mwb s SER 185 Cb -0.17 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.42 3mwb s SER 185 CO 0.08 -0.87 1.12 -0.13 0.98 0.00 0.00 173.24 174.42 3mwb s ARG 186 N -3.78 2.43 0.35 4.02 0.52 -1.26 0.14 118.95 121.36 3mwb s ARG 186 Ca 0.18 1.40 -0.29 0.00 -0.52 0.00 0.00 55.73 56.50 3mwb s ARG 186 Cb 0.03 -1.90 -0.11 0.00 0.52 0.00 0.00 34.95 33.49 3mwb s ARG 186 CO 0.10 -1.54 1.40 -2.14 0.02 0.00 0.00 175.30 173.15 3mwb s PRO 187 N -4.32 4.24 0.00 3.54 0.02 -1.26 -4.58 135.00 132.63 3mwb s PRO 187 Ca 0.66 2.39 0.00 0.00 0.02 0.00 0.00 61.00 64.07 3mwb s PRO 187 Cb -0.21 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3mwb s PRO 187 CO 0.47 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 177.19 3mwb n GLY 188 N 0.75 4.56 3.79 0.52 0.00 -1.26 -5.07 105.19 108.49 3mwb n GLY 188 Ca 0.01 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 3mwb n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwb s ALA 189 N -1.52 2.94 0.28 4.61 0.00 -1.26 -5.02 121.76 121.79 3mwb s ALA 189 Ca 0.00 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 3mwb s ALA 189 Cb 0.00 -3.25 -0.11 0.00 0.00 0.00 0.00 23.12 19.76 3mwb s ALA 189 CO 0.00 -0.26 1.48 -0.51 0.00 0.00 0.00 175.76 176.47 3mwb s LEU 190 N -3.25 4.37 0.82 0.00 1.43 -1.26 -5.01 118.68 115.78 3mwb s LEU 190 Ca 0.65 2.80 -0.11 0.00 -1.03 0.00 0.00 54.13 56.43 3mwb s LEU 190 Cb -0.17 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.50 3mwb s LEU 190 CO 0.21 -0.77 1.09 -2.16 0.23 0.00 0.00 176.35 174.96 3mwb s PRO 191 N -0.75 1.87 0.28 1.29 0.04 -1.26 -4.94 135.00 131.52 3mwb s PRO 191 Ca 0.59 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 3mwb s PRO 191 Cb -0.44 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.11 3mwb s PRO 191 CO 0.48 -1.81 1.57 -2.00 0.04 0.00 0.00 177.00 175.28 3mwb s GLU 192 N -5.04 4.15 0.71 4.56 2.12 -1.26 -4.98 118.70 118.97 3mwb s GLU 192 Ca 0.62 2.52 -0.14 0.00 0.36 0.00 0.00 54.97 58.32 3mwb s GLU 192 Cb -0.16 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.21 3mwb s GLU 192 CO 0.55 -0.59 1.13 -0.98 -0.54 0.00 0.00 175.26 174.83 3mwb s ARG 193 N -0.38 2.42 0.00 4.30 1.70 -1.26 -4.95 118.95 120.79 3mwb s ARG 193 Ca 0.63 1.45 0.00 0.00 -0.47 0.00 0.00 55.73 57.33 3mwb s ARG 193 Cb -0.46 -1.90 0.00 0.00 -0.57 0.00 0.00 34.95 32.02 3mwb s ARG 193 CO 0.46 -1.55 0.00 0.25 -1.08 0.00 0.00 175.30 173.37 3mwb n THR 194 N -2.82 0.00 -0.41 4.99 -2.24 -1.26 -5.00 114.28 107.54 3mwb n THR 194 Ca 0.11 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3mwb n THR 194 Cb 0.52 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 3mwb n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mwb n GLY 195 N 0.64 1.84 2.47 3.38 0.00 -1.26 -4.88 105.19 107.38 3mwb n GLY 195 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3mwb n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwb n ALA 196 N 0.18 3.19 -2.53 4.61 0.00 -1.26 -1.43 120.51 123.26 3mwb n ALA 196 Ca 0.00 -3.99 -0.25 0.00 0.00 0.00 0.00 53.44 49.20 3mwb n ALA 196 Cb 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 3mwb n ALA 196 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mwb s ASP 197 N -2.64 4.15 0.04 0.00 1.01 -1.26 -1.35 116.67 116.61 3mwb s ASP 197 Ca 0.42 -1.02 0.08 0.00 0.71 0.00 0.00 52.55 52.74 3mwb s ASP 197 Cb 0.28 -0.51 -0.03 0.00 1.01 0.00 0.00 42.92 43.68 3mwb s ASP 197 CO -0.10 -0.26 -0.22 -0.75 0.21 0.00 0.00 175.17 174.06 3mwb s LYS 198 N -3.72 1.51 -0.07 8.23 2.20 0.13 -0.84 119.74 127.19 3mwb s LYS 198 Ca 0.35 -0.96 0.03 0.00 -0.36 0.00 0.00 55.97 55.03 3mwb s LYS 198 Cb 0.01 -1.63 0.00 0.00 -1.51 0.00 0.00 37.83 34.70 3mwb s LYS 198 CO 0.19 0.42 -0.17 0.99 -0.36 0.00 0.00 175.35 176.42 3mwb s THR 199 N -0.78 1.51 -0.07 3.43 2.01 0.85 -0.90 115.64 121.70 3mwb s THR 199 Ca 0.08 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3mwb s THR 199 Cb -0.09 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 3mwb s THR 199 CO 0.02 0.44 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.34 3mwb s THR 200 N 0.39 2.99 0.06 -0.82 2.01 -0.43 0.51 115.64 120.34 3mwb s THR 200 Ca -0.13 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.14 3mwb s THR 200 Cb -0.15 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 3mwb s THR 200 CO 0.05 0.58 -0.05 0.68 -0.69 0.00 0.00 174.62 175.19 3mwb s VAL 201 N -0.48 0.37 -0.16 3.82 -7.23 -0.55 -0.56 120.40 115.61 3mwb s VAL 201 Ca 0.06 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 3mwb s VAL 201 Cb -0.12 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.62 3mwb s VAL 201 CO 0.02 -0.79 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.14 3mwb s VAL 202 N -3.07 1.91 -0.27 1.32 1.01 -0.48 -1.54 120.40 119.28 3mwb s VAL 202 Ca 0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3mwb s VAL 202 Cb 0.02 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.70 3mwb s VAL 202 CO -0.06 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 174.84 3mwb s VAL 203 N 1.27 2.90 0.24 2.92 1.01 0.31 -0.97 120.40 128.08 3mwb s VAL 203 Ca 0.03 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 3mwb s VAL 203 Cb -0.13 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 3mwb s VAL 203 CO -0.11 0.05 1.30 -2.84 0.00 0.00 0.00 175.10 173.50 3mwb s PRO 204 N 1.28 4.40 -0.18 2.72 0.02 -1.26 -0.27 135.00 141.71 3mwb s PRO 204 Ca -0.03 2.08 -0.29 0.00 0.02 0.00 0.00 61.00 62.78 3mwb s PRO 204 Cb -0.18 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.17 3mwb s PRO 204 CO -0.03 -0.21 1.08 -1.17 -0.33 0.00 0.00 177.00 176.34 3mwb s LEU 205 N -0.62 4.16 0.12 -5.54 2.96 -0.10 -4.82 118.68 114.84 3mwb s LEU 205 Ca 0.54 1.50 -0.03 0.00 -0.22 0.00 0.00 54.13 55.92 3mwb s LEU 205 Cb -0.37 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.65 3mwb s LEU 205 CO 0.42 -0.63 1.28 -0.65 -1.32 0.00 0.00 176.35 175.45 3mwb h PRO 206 N 7.49 0.34 -2.73 0.98 0.11 -1.89 -1.67 132.00 134.63 3mwb h PRO 206 Ca -0.24 -0.41 -0.13 0.00 0.11 0.00 0.00 66.00 65.33 3mwb h PRO 206 Cb 1.10 0.13 -0.27 0.00 0.11 0.00 0.00 31.00 32.06 3mwb h PRO 206 CO 0.94 1.11 -0.33 -1.21 -0.21 0.00 0.00 178.00 178.29 3mwb s GLU 207 N -3.12 0.36 -0.45 1.05 2.02 -1.26 -2.88 118.70 114.42 3mwb s GLU 207 Ca -0.05 0.72 -0.20 0.00 0.02 0.00 0.00 54.97 55.46 3mwb s GLU 207 Cb 0.09 -0.03 0.03 0.00 0.10 0.00 0.00 34.13 34.32 3mwb s GLU 207 CO 0.86 -0.15 0.60 0.34 0.02 0.00 0.00 175.26 176.93 3mwb s ASP 208 N 1.29 6.27 0.13 -0.19 2.15 -1.26 -4.88 116.67 120.17 3mwb s ASP 208 Ca -0.09 -0.54 -0.14 0.00 0.43 0.00 0.00 52.55 52.21 3mwb s ASP 208 Cb -0.08 -2.29 0.02 0.00 -0.30 0.00 0.00 42.92 40.27 3mwb s ASP 208 CO -0.11 -0.77 0.36 -1.38 -0.17 0.00 0.00 175.17 173.11 3mwb s HIS 209 N 2.64 -0.08 0.37 -5.34 -3.43 -1.26 -5.09 115.29 103.10 3mwb s HIS 209 Ca 0.19 -0.27 -0.28 0.00 -0.80 0.00 0.00 55.06 53.90 3mwb s HIS 209 Cb -0.16 0.19 -0.11 0.00 -1.43 0.00 0.00 32.58 31.06 3mwb s HIS 209 CO 0.16 -0.69 1.36 -2.30 -2.00 0.00 0.00 174.74 171.27 3mwb n PRO 210 N -0.20 2.31 -0.98 -0.38 -0.02 -1.26 -1.87 135.00 132.59 3mwb n PRO 210 Ca -0.15 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3mwb n PRO 210 Cb 0.63 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3mwb n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mwb n GLY 211 N 0.65 0.64 0.21 -1.23 0.00 -1.26 -4.93 105.19 99.28 3mwb n GLY 211 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3mwb n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwb h ALA 212 N 0.00 0.45 0.00 4.61 0.00 -1.72 -1.65 119.26 120.95 3mwb h ALA 212 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3mwb h ALA 212 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3mwb h ALA 212 CO 0.00 0.42 0.00 -0.11 0.00 0.00 0.00 179.25 179.56 3mwb n LEU 213 N -4.29 0.99 0.00 0.00 7.94 -1.26 -2.48 117.00 117.89 3mwb n LEU 213 Ca -0.03 -0.47 0.00 0.00 -1.11 0.00 0.00 56.01 54.39 3mwb n LEU 213 Cb 0.44 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.21 3mwb n LEU 213 CO 0.44 0.17 0.00 1.21 -1.11 0.00 0.00 177.39 178.10 3mwb n GLU 215 N 1.14 0.00 -0.06 1.96 2.13 -0.62 0.13 120.64 125.31 3mwb n GLU 215 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 3mwb n GLU 215 Cb 0.14 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.78 3mwb n GLU 215 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3mwb h ILE 216 N 0.00 1.33 -0.16 6.31 2.04 -1.78 -3.23 117.51 122.03 3mwb h ILE 216 Ca 0.00 -1.54 -0.08 0.00 1.00 0.00 0.00 64.86 64.24 3mwb h ILE 216 Cb 0.00 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3mwb h ILE 216 CO 0.00 0.47 -0.24 -0.07 0.00 0.00 0.00 178.15 178.31 3mwb h LEU 217 N 0.23 0.28 -2.11 1.44 3.38 -0.62 -2.68 115.31 115.24 3mwb h LEU 217 Ca 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3mwb h LEU 217 Cb 0.91 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3mwb h LEU 217 CO 0.07 0.53 -0.00 -0.78 0.09 0.00 0.00 178.44 178.35 3mwb h ASP 218 N 0.26 0.00 -0.97 -0.43 3.58 -1.79 -0.89 116.42 116.18 3mwb h ASP 218 Ca 0.04 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.58 3mwb h ASP 218 Cb 0.58 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.55 3mwb h ASP 218 CO 0.04 0.00 0.61 1.56 -2.88 0.00 0.00 179.24 178.58 3mwb h GLN 219 N 0.00 1.02 0.01 0.28 1.08 -1.54 0.73 115.11 116.69 3mwb h GLN 219 Ca -0.00 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3mwb h GLN 219 Cb 0.00 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.20 3mwb h GLN 219 CO 0.00 0.68 -0.00 0.74 -0.95 0.00 0.00 178.83 179.29 3mwb h PHE 220 N 1.05 -0.01 -0.57 2.96 0.04 -1.40 -3.35 116.94 115.66 3mwb h PHE 220 Ca 0.45 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.18 3mwb h PHE 220 Cb 0.30 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 3mwb h PHE 220 CO -0.01 0.81 0.21 0.00 -0.60 0.00 0.00 178.31 178.71 3mwb h ALA 221 N 0.04 0.74 0.00 2.45 0.00 -0.99 0.17 119.26 121.66 3mwb h ALA 221 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mwb h ALA 221 Cb 0.83 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3mwb h ALA 221 CO 0.00 0.37 0.00 -1.13 0.00 0.00 0.00 179.25 178.49 3mwb n SER 222 N -4.47 0.48 -0.58 0.00 3.41 0.23 -2.23 113.62 110.46 3mwb n SER 222 Ca 0.03 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 3mwb n SER 222 Cb 0.18 -0.74 0.19 0.00 -0.26 0.00 0.00 64.21 63.58 3mwb n SER 222 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mwb n ARG 223 N -2.06 2.56 -1.60 4.33 1.74 -0.90 -4.98 116.66 115.73 3mwb n ARG 223 Ca 0.01 -2.51 -0.10 0.00 -0.77 0.00 0.00 57.85 54.48 3mwb n ARG 223 Cb 0.16 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 3mwb n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mwb n GLY 224 N -0.52 0.72 3.51 -0.13 0.00 -0.95 -4.86 105.19 102.95 3mwb n GLY 224 Ca 0.16 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3mwb n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mwb s VAL 225 N -2.41 5.13 0.27 1.61 1.01 -0.00 -4.55 120.40 121.46 3mwb s VAL 225 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3mwb s VAL 225 Cb 0.00 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 3mwb s VAL 225 CO 0.00 -0.26 1.13 0.21 0.00 0.00 0.00 175.10 176.18 3mwb s ASN 226 N 1.77 7.20 0.04 3.32 2.47 -1.26 -4.07 114.94 124.40 3mwb s ASN 226 Ca 0.12 2.30 0.01 0.00 0.42 0.00 0.00 52.86 55.71 3mwb s ASN 226 Cb -0.17 -2.63 -0.04 0.00 -1.45 0.00 0.00 41.25 36.97 3mwb s ASN 226 CO 0.12 -0.21 0.11 -0.76 -3.72 0.00 0.00 177.10 172.65 3mwb s LEU 227 N -1.32 3.98 -0.00 3.21 1.43 -1.26 0.13 118.68 124.84 3mwb s LEU 227 Ca 0.46 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 3mwb s LEU 227 Cb -0.33 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 3mwb s LEU 227 CO 0.42 0.21 0.06 -1.54 0.23 0.00 0.00 176.35 175.73 3mwb n SER 228 N 0.71 0.39 -3.67 2.29 3.41 -0.36 -4.91 113.62 111.49 3mwb n SER 228 Ca -0.10 -0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 57.92 3mwb n SER 228 Cb 0.52 1.00 -0.09 0.00 -0.26 0.00 0.00 64.21 65.39 3mwb n SER 228 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3mwb s ARG 229 N -1.20 0.60 -0.01 4.33 3.52 -1.17 -4.94 118.95 120.09 3mwb s ARG 229 Ca 0.00 0.99 0.01 0.00 -0.13 0.00 0.00 55.73 56.60 3mwb s ARG 229 Cb 0.01 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.53 3mwb s ARG 229 CO 0.06 -0.14 -0.01 -1.50 -0.81 0.00 0.00 175.30 172.90 3mwb s ILE 230 N 1.26 0.14 -0.09 4.11 2.07 -1.26 -1.06 121.20 126.37 3mwb s ILE 230 Ca -0.08 -0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.08 3mwb s ILE 230 Cb -0.06 -0.14 0.05 0.00 0.13 0.00 0.00 42.46 42.44 3mwb s ILE 230 CO -0.13 0.05 0.20 -1.61 -1.91 0.00 0.00 174.94 171.55 3mwb s GLU 231 N 0.12 0.12 0.30 3.50 2.02 -0.24 -4.99 118.70 119.54 3mwb s GLU 231 Ca -0.01 0.55 -0.19 0.00 0.02 0.00 0.00 54.97 55.33 3mwb s GLU 231 Cb -0.03 -0.16 -0.09 0.00 0.10 0.00 0.00 34.13 33.95 3mwb s GLU 231 CO -0.00 -0.23 0.80 -1.54 0.02 0.00 0.00 175.26 174.30 3mwb s SER 232 N 1.77 6.99 -0.03 -0.19 1.04 -1.26 -0.42 113.70 121.60 3mwb s SER 232 Ca -0.04 1.48 -0.01 0.00 0.48 0.00 0.00 55.95 57.86 3mwb s SER 232 Cb -0.11 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.58 3mwb s SER 232 CO -0.07 -0.12 0.07 -0.13 0.98 0.00 0.00 173.24 173.97 3mwb s ARG 233 N -2.50 0.03 0.62 4.02 1.81 -0.38 -4.98 118.95 117.57 3mwb s ARG 233 Ca 0.51 0.21 -0.18 0.00 -1.72 0.00 0.00 55.73 54.55 3mwb s ARG 233 Cb -0.14 -0.16 -0.02 0.00 -0.45 0.00 0.00 34.95 34.19 3mwb s ARG 233 CO 0.19 -0.13 1.20 -1.25 -0.68 0.00 0.00 175.30 174.64 3mwb s PRO 234 N 0.83 2.80 -0.14 3.54 0.04 -1.26 -1.22 135.00 139.60 3mwb s PRO 234 Ca -0.07 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 3mwb s PRO 234 Cb -0.09 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.62 3mwb s PRO 234 CO -0.03 -1.33 0.80 -0.08 0.04 0.00 0.00 177.00 176.39 3mwb s THR 235 N -1.71 0.00 -2.19 1.26 -1.32 0.05 -4.80 115.64 106.93 3mwb s THR 235 Ca 0.76 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.52 3mwb s THR 235 Cb -0.30 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.16 3mwb s THR 235 CO 0.36 0.00 1.71 0.61 -2.21 0.00 0.00 174.62 175.09 3mwb n GLY 236 N 1.32 -0.29 0.10 6.08 0.00 -1.26 -4.16 105.19 106.99 3mwb n GLY 236 Ca -0.15 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 3mwb n GLY 236 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3mwb h GLN 237 N 1.80 0.24 -6.04 1.61 -0.00 -1.96 -3.45 115.11 107.29 3mwb h GLN 237 Ca 0.00 -0.40 -0.60 0.00 -0.00 0.00 0.00 58.65 57.65 3mwb h GLN 237 Cb 0.48 0.15 -0.05 0.00 -0.00 0.00 0.00 27.48 28.06 3mwb h GLN 237 CO 0.00 1.14 -0.29 1.52 -0.00 0.00 0.00 178.83 181.20 3mwb s TYR 238 N -2.64 3.58 -2.08 0.06 -0.00 -1.26 -5.00 117.35 110.01 3mwb s TYR 238 Ca -0.06 0.71 0.25 0.00 -0.00 0.00 0.00 57.07 57.97 3mwb s TYR 238 Cb 0.07 -2.10 1.38 0.00 -0.00 0.00 0.00 41.96 41.31 3mwb s TYR 238 CO 0.87 0.55 1.90 1.28 -0.00 0.00 0.00 175.55 180.14 3mwb n LEU 239 N 0.95 0.33 0.00 -3.49 7.99 -1.26 -0.97 117.00 120.55 3mwb n LEU 239 Ca -0.09 -0.13 0.10 0.00 -0.01 0.00 0.00 56.01 55.89 3mwb n LEU 239 Cb 0.52 -0.01 -0.09 0.00 -0.11 0.00 0.00 43.42 43.74 3mwb n LEU 239 CO 0.42 0.06 -0.10 0.61 -1.51 0.00 0.00 177.39 176.87 3mwb n GLY 240 N 0.95 -1.04 2.57 -0.72 0.00 -0.63 -4.59 105.19 101.74 3mwb n GLY 240 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3mwb n GLY 240 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mwb n HIS 241 N -1.64 0.00 -4.13 1.61 -0.00 -0.14 -4.50 115.22 106.41 3mwb n HIS 241 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.65 3mwb n HIS 241 Cb 0.37 -0.02 -0.10 0.00 -0.00 0.00 0.00 29.99 30.24 3mwb n HIS 241 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3mwb s TYR 242 N -3.10 0.75 0.19 4.41 2.02 -1.26 -0.77 117.35 119.59 3mwb s TYR 242 Ca 0.00 -0.92 0.08 0.00 -0.37 0.00 0.00 57.07 55.86 3mwb s TYR 242 Cb 0.00 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 3mwb s TYR 242 CO 0.00 -0.22 -0.17 -0.59 -1.57 0.00 0.00 175.55 173.01 3mwb s PHE 243 N -3.50 1.81 -0.18 2.71 -0.12 -0.36 -0.93 117.98 117.42 3mwb s PHE 243 Ca 0.08 -0.50 -0.02 0.00 -0.05 0.00 0.00 56.93 56.44 3mwb s PHE 243 Cb 0.05 -0.87 -0.01 0.00 -0.63 0.00 0.00 43.02 41.56 3mwb s PHE 243 CO -0.06 0.37 -0.07 -0.06 -0.05 0.00 0.00 175.22 175.35 3mwb s PHE 244 N -2.45 2.92 -0.24 3.49 0.08 0.62 -1.25 117.98 121.16 3mwb s PHE 244 Ca 0.19 -0.74 -0.15 0.00 0.12 0.00 0.00 56.93 56.35 3mwb s PHE 244 Cb -0.04 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3mwb s PHE 244 CO 0.07 -0.35 0.35 0.45 -0.10 0.00 0.00 175.22 175.64 3mwb s SER 245 N 0.91 6.31 -0.02 1.36 0.15 0.44 -0.53 113.70 122.31 3mwb s SER 245 Ca -0.01 0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.99 3mwb s SER 245 Cb -0.15 -2.20 0.02 0.00 -1.71 0.00 0.00 66.02 61.98 3mwb s SER 245 CO 0.01 -0.11 -0.01 -0.63 1.20 0.00 0.00 173.24 173.70 3mwb s ILE 246 N 1.63 0.22 -0.17 6.45 1.01 -0.59 -1.08 121.20 128.67 3mwb s ILE 246 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 3mwb s ILE 246 Cb -0.15 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 3mwb s ILE 246 CO 0.08 0.12 -0.04 -1.81 0.00 0.00 0.00 174.94 173.29 3mwb s ASP 247 N 0.64 4.63 0.11 3.58 1.01 -0.22 -1.48 116.67 124.93 3mwb s ASP 247 Ca -0.06 -0.21 0.07 0.00 0.71 0.00 0.00 52.55 53.05 3mwb s ASP 247 Cb -0.10 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 3mwb s ASP 247 CO -0.01 0.12 -0.08 0.00 0.21 0.00 0.00 175.17 175.41 3mwb s ALA 248 N 0.66 3.03 -0.03 5.23 0.00 0.18 -1.22 121.76 129.61 3mwb s ALA 248 Ca -0.02 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 3mwb s ALA 248 Cb -0.15 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 3mwb s ALA 248 CO 0.02 0.65 1.30 -0.51 0.00 0.00 0.00 175.76 177.21 3mwb s ASP 249 N -2.27 6.95 0.00 0.00 1.01 0.12 -0.10 116.67 122.38 3mwb s ASP 249 Ca 0.22 1.95 0.00 0.00 0.71 0.00 0.00 52.55 55.43 3mwb s ASP 249 Cb -0.11 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.26 3mwb s ASP 249 CO 0.15 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.49 3mwb n GLY 250 N 3.50 2.60 3.36 0.21 0.00 -0.02 -4.55 105.19 110.29 3mwb n GLY 250 Ca 0.12 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 3mwb n GLY 250 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mwb s HIS 251 N -1.80 2.39 0.48 1.61 2.46 -1.26 -2.56 115.29 116.60 3mwb s HIS 251 Ca 0.00 -0.38 0.27 0.00 0.47 0.00 0.00 55.06 55.42 3mwb s HIS 251 Cb 0.00 -1.45 1.32 0.00 -0.13 0.00 0.00 32.58 32.32 3mwb s HIS 251 CO 0.00 0.11 1.82 0.00 -2.47 0.00 0.00 174.74 174.20 3mwb h ALA 252 N 4.98 2.63 0.00 1.58 0.00 -1.93 -0.56 119.26 125.96 3mwb h ALA 252 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3mwb h ALA 252 Cb 1.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3mwb h ALA 252 CO 0.46 -0.96 -0.48 1.79 0.00 0.00 0.00 179.25 180.05 3mwb h THR 253 N 0.19 0.99 -2.13 0.00 1.35 -1.95 -2.94 112.91 108.41 3mwb h THR 253 Ca 0.52 -1.94 -0.63 0.00 -0.55 0.00 0.00 66.41 63.82 3mwb h THR 253 Cb 1.71 2.17 0.07 0.00 -1.73 0.00 0.00 68.15 70.37 3mwb h THR 253 CO -0.13 0.47 0.50 0.47 -0.25 0.00 0.00 175.52 176.59 3mwb n ASP 254 N -3.44 2.11 -0.31 5.36 8.00 -0.22 -4.79 116.55 123.27 3mwb n ASP 254 Ca 0.00 1.13 0.01 0.00 0.71 0.00 0.00 54.79 56.64 3mwb n ASP 254 Cb 0.62 -1.30 0.19 0.00 -0.02 0.00 0.00 41.12 40.61 3mwb n ASP 254 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3mwb h SER 255 N 4.35 0.99 0.54 -2.24 0.02 -1.87 -0.66 113.55 114.67 3mwb h SER 255 Ca -0.45 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 3mwb h SER 255 Cb 1.31 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3mwb h SER 255 CO 0.77 0.69 -0.33 0.08 -1.14 0.00 0.00 176.83 176.90 3mwb h ARG 256 N 1.15 0.00 0.06 3.45 0.11 -1.89 -0.93 114.38 116.33 3mwb h ARG 256 Ca 0.35 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.31 3mwb h ARG 256 Cb -0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.06 3mwb h ARG 256 CO -0.10 0.33 -0.59 0.28 0.10 0.00 0.00 179.97 179.99 3mwb h VAL 257 N 0.00 1.50 -0.71 0.08 2.07 -1.44 -1.88 116.25 115.87 3mwb h VAL 257 Ca -0.00 -2.39 0.09 0.00 0.82 0.00 0.00 66.70 65.22 3mwb h VAL 257 Cb 0.68 3.10 -0.07 0.00 -1.52 0.00 0.00 31.29 33.48 3mwb h VAL 257 CO 0.04 0.61 0.36 0.00 0.02 0.00 0.00 177.57 178.60 3mwb h ALA 258 N -0.05 0.98 -0.31 1.67 0.00 -1.03 0.15 119.26 120.67 3mwb h ALA 258 Ca -0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3mwb h ALA 258 Cb 1.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3mwb h ALA 258 CO 0.02 -0.04 0.16 0.22 0.00 0.00 0.00 179.25 179.62 3mwb h ASP 259 N 0.61 0.39 -0.54 0.00 3.58 -1.21 -1.56 116.42 117.68 3mwb h ASP 259 Ca 0.35 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.73 3mwb h ASP 259 Cb 0.36 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 3mwb h ASP 259 CO -0.26 0.37 0.32 0.00 -2.88 0.00 0.00 179.24 176.79 3mwb h ALA 260 N 1.03 0.70 -0.81 -0.78 0.00 -0.83 -1.84 119.26 116.72 3mwb h ALA 260 Ca 0.11 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3mwb h ALA 260 Cb 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3mwb h ALA 260 CO -0.02 0.02 0.49 -0.07 0.00 0.00 0.00 179.25 179.67 3mwb h LEU 261 N 0.62 0.74 -0.77 0.00 3.38 -0.49 -0.97 115.31 117.82 3mwb h LEU 261 Ca 0.22 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3mwb h LEU 261 Cb 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3mwb h LEU 261 CO -0.11 0.46 0.35 0.00 0.09 0.00 0.00 178.44 179.23 3mwb h ALA 262 N 1.41 0.99 -0.83 1.53 0.00 -0.78 -1.73 119.26 119.85 3mwb h ALA 262 Ca 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3mwb h ALA 262 Cb 0.23 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3mwb h ALA 262 CO -0.20 0.58 0.47 0.78 0.00 0.00 0.00 179.25 180.88 3mwb h GLY 263 N 1.09 1.22 0.84 0.00 0.00 -0.52 -1.70 103.07 104.00 3mwb h GLY 263 Ca 0.26 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3mwb h GLY 263 CO -0.03 0.51 0.00 1.41 0.00 0.00 0.00 176.54 178.44 3mwb h LEU 264 N 1.15 0.41 -0.77 3.11 3.38 -0.91 -2.82 115.31 118.86 3mwb h LEU 264 Ca 0.29 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3mwb h LEU 264 Cb 0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3mwb h LEU 264 CO -0.05 0.62 0.42 -0.74 0.09 0.00 0.00 178.44 178.78 3mwb h HIS 265 N 0.19 1.05 -0.39 1.13 2.76 -1.04 -0.04 115.15 118.82 3mwb h HIS 265 Ca 0.07 -0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.28 3mwb h HIS 265 Cb 0.40 -0.34 -0.06 0.00 1.55 0.00 0.00 27.41 28.97 3mwb h HIS 265 CO 0.03 0.74 0.01 0.00 -1.30 0.00 0.00 177.93 177.41 3mwb h ARG 266 N 1.06 0.11 -0.33 5.26 3.08 -1.23 -0.54 114.38 121.79 3mwb h ARG 266 Ca 0.27 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.16 3mwb h ARG 266 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3mwb h ARG 266 CO -0.04 0.07 -0.42 0.82 -1.07 0.00 0.00 179.97 179.33 3mwb h ILE 267 N 0.11 1.28 -2.29 2.04 2.04 -1.23 -3.41 117.51 116.06 3mwb h ILE 267 Ca 0.19 -1.60 -0.50 0.00 1.00 0.00 0.00 64.86 63.94 3mwb h ILE 267 Cb 0.26 1.47 -0.36 0.00 -0.74 0.00 0.00 36.82 37.46 3mwb h ILE 267 CO -0.31 0.53 -0.82 -0.55 0.00 0.00 0.00 178.15 177.00 3mwb s SER 268 N -6.86 1.92 0.65 1.72 0.15 -0.06 -4.79 113.70 106.43 3mwb s SER 268 Ca -0.10 -2.19 0.43 0.00 0.70 0.00 0.00 55.95 54.79 3mwb s SER 268 Cb 0.11 -0.03 2.34 0.00 -1.71 0.00 0.00 66.02 66.73 3mwb s SER 268 CO 0.87 -0.25 2.33 -0.65 1.20 0.00 0.00 173.24 176.74 3mwb h PRO 269 N 6.64 0.00 -0.47 5.44 0.11 -1.33 -1.31 132.00 141.07 3mwb h PRO 269 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3mwb h PRO 269 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3mwb h PRO 269 CO 0.26 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.05 3mwb n ALA 270 N -2.07 2.65 -1.65 -0.75 0.00 -1.26 -4.94 120.51 112.48 3mwb n ALA 270 Ca -0.03 -0.51 -0.45 0.00 0.00 0.00 0.00 53.44 52.45 3mwb n ALA 270 Cb 0.08 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3mwb n ALA 270 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3mwb n THR 271 N 0.23 1.19 -4.09 0.00 -1.04 -0.49 -4.72 114.28 105.34 3mwb n THR 271 Ca 0.09 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.05 61.45 3mwb n THR 271 Cb 0.34 -1.33 -0.10 0.00 -1.82 0.00 0.00 70.33 67.43 3mwb n THR 271 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3mwb s ARG 272 N -0.72 3.76 -0.23 -2.82 0.52 -0.14 -4.98 118.95 114.35 3mwb s ARG 272 Ca 0.66 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 55.34 3mwb s ARG 272 Cb -0.68 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 3mwb s ARG 272 CO 0.53 0.37 0.51 0.12 0.02 0.00 0.00 175.30 176.85 3mwb s PHE 273 N 0.07 3.33 -0.44 -0.53 5.36 -1.26 -1.39 117.98 123.11 3mwb s PHE 273 Ca 0.05 0.70 0.15 0.00 -0.96 0.00 0.00 56.93 56.88 3mwb s PHE 273 Cb -0.12 -2.68 0.55 0.00 -0.34 0.00 0.00 43.02 40.42 3mwb s PHE 273 CO 0.01 -0.17 1.46 1.28 -1.46 0.00 0.00 175.22 176.33 3mwb n LEU 274 N 5.10 4.05 0.00 6.12 7.99 0.27 -4.76 117.00 135.77 3mwb n LEU 274 Ca -0.05 -2.75 0.00 0.00 -0.01 0.00 0.00 56.01 53.21 3mwb n LEU 274 Cb 0.50 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 3mwb n LEU 274 CO 0.41 0.70 0.00 0.61 -1.51 0.00 0.00 177.39 177.60 3mwb n GLY 275 N 0.03 2.38 3.45 -0.72 0.00 -1.22 -1.18 105.19 107.92 3mwb n GLY 275 Ca 0.21 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 3mwb n GLY 275 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mwb s SER 276 N 0.00 3.84 0.02 1.61 0.01 -1.26 -1.31 113.70 116.61 3mwb s SER 276 Ca 0.00 -0.32 -0.27 0.00 1.31 0.00 0.00 55.95 56.67 3mwb s SER 276 Cb 0.00 -0.70 0.09 0.00 0.21 0.00 0.00 66.02 65.61 3mwb s SER 276 CO 0.00 0.31 0.75 -0.72 0.41 0.00 0.00 173.24 173.99 3mwb s TYR 277 N -0.80 -0.49 0.31 2.43 1.13 -0.08 -4.52 117.35 115.32 3mwb s TYR 277 Ca 0.13 0.52 -0.29 0.00 -1.41 0.00 0.00 57.07 56.02 3mwb s TYR 277 Cb -0.10 0.50 -0.11 0.00 -1.10 0.00 0.00 41.96 41.15 3mwb s TYR 277 CO 0.02 -0.64 1.47 0.00 -2.51 0.00 0.00 175.55 173.89 3mwb s ALA 278 N -2.62 3.62 0.13 9.51 0.00 -1.26 0.21 121.76 131.35 3mwb s ALA 278 Ca -0.01 1.45 -0.31 0.00 0.00 0.00 0.00 51.96 53.08 3mwb s ALA 278 Cb -0.01 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 3mwb s ALA 278 CO -0.05 -0.87 1.46 1.03 0.00 0.00 0.00 175.76 177.33 3mwb s ARG 279 N -1.11 4.28 0.35 0.00 0.52 -0.46 -4.37 118.95 118.16 3mwb s ARG 279 Ca 0.57 2.17 0.11 0.00 -0.52 0.00 0.00 55.73 58.06 3mwb s ARG 279 Cb -0.44 -3.23 0.88 0.00 0.52 0.00 0.00 34.95 32.67 3mwb s ARG 279 CO 0.51 -0.50 1.80 0.00 0.02 0.00 0.00 175.30 177.13 3mwb h ALA 280 N 6.86 1.89 -0.01 2.13 0.00 -1.91 -2.11 119.26 126.12 3mwb h ALA 280 Ca -0.42 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3mwb h ALA 280 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3mwb h ALA 280 CO 0.88 -0.24 -0.08 -0.40 0.00 0.00 0.00 179.25 179.42 3mwb n ASP 281 N -4.66 1.03 -1.31 0.00 5.68 -1.26 -4.94 116.55 111.08 3mwb n ASP 281 Ca 0.22 -1.13 -0.17 0.00 -0.50 0.00 0.00 54.79 53.21 3mwb n ASP 281 Cb 0.63 0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.56 3mwb n ASP 281 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3mwb n LYS 282 N -0.36 -1.38 -2.82 0.11 4.76 -0.80 -4.96 118.16 112.71 3mwb n LYS 282 Ca 0.17 1.10 -0.42 0.00 -2.87 0.00 0.00 58.31 56.29 3mwb n LYS 282 Cb 0.31 -5.41 -0.04 0.00 -1.84 0.00 0.00 35.03 28.05 3mwb n LYS 282 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3mwb s GLN 283 N -3.43 4.12 0.56 1.97 1.11 -1.26 -4.92 119.66 117.81 3mwb s GLN 283 Ca 0.00 0.94 -0.21 0.00 0.01 0.00 0.00 55.36 56.10 3mwb s GLN 283 Cb 0.00 -3.68 -0.04 0.00 -1.01 0.00 0.00 33.01 28.27 3mwb s GLN 283 CO 0.00 -0.65 1.34 -2.14 0.01 0.00 0.00 175.29 173.85 3mwb s PRO 284 N 3.08 3.07 0.34 2.91 0.02 -1.26 -4.66 135.00 138.50 3mwb s PRO 284 Ca 0.38 2.18 -0.29 0.00 0.02 0.00 0.00 61.00 63.29 3mwb s PRO 284 Cb -0.14 -2.19 -0.12 0.00 0.02 0.00 0.00 34.50 32.07 3mwb s PRO 284 CO 0.10 -1.23 1.49 0.00 -0.33 0.00 0.00 177.00 177.03 3mwb n ALA 285 N -1.15 2.20 -2.63 -1.55 0.00 -0.51 -4.95 120.51 111.92 3mwb n ALA 285 Ca 0.11 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 3mwb n ALA 285 Cb 0.46 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.45 3mwb n ALA 285 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mwb s VAL 286 N -0.68 4.91 -0.35 0.00 1.01 -1.26 -5.00 120.40 119.03 3mwb s VAL 286 Ca 0.58 1.33 -0.21 0.00 0.00 0.00 0.00 61.98 63.68 3mwb s VAL 286 Cb -0.51 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 31.85 3mwb s VAL 286 CO 0.58 -0.03 0.68 -0.69 0.00 0.00 0.00 175.10 175.64 3mwb s VAL 287 N 2.67 4.85 0.84 2.92 1.01 -1.26 -4.94 120.40 126.49 3mwb s VAL 287 Ca 0.30 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.88 3mwb s VAL 287 Cb -0.15 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.22 3mwb s VAL 287 CO 0.08 -0.33 1.09 0.00 0.00 0.00 0.00 175.10 175.94 3mwb s ALA 288 N 2.81 1.87 0.46 5.51 0.00 -1.26 -4.94 121.76 126.21 3mwb s ALA 288 Ca 0.27 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 3mwb s ALA 288 Cb -0.14 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 3mwb s ALA 288 CO 0.15 -2.09 1.10 -2.30 0.00 0.00 0.00 175.76 172.61 3mwb n PRO 289 N -3.72 1.46 -0.90 0.00 -0.02 -1.26 -2.61 135.00 127.95 3mwb n PRO 289 Ca 0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3mwb n PRO 289 Cb 0.54 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3mwb n PRO 289 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3mwb n HIS 290 N -0.65 0.00 -0.01 6.00 8.25 -1.26 -4.81 115.22 122.74 3mwb n HIS 290 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3mwb n HIS 290 Cb 0.41 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3mwb n HIS 290 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3mwb n THR 291 N -2.11 0.57 -1.18 1.59 -2.24 -1.07 -4.69 114.28 105.15 3mwb n THR 291 Ca 0.00 -0.78 -0.31 0.00 -2.27 0.00 0.00 64.05 60.69 3mwb n THR 291 Cb 0.02 0.72 0.11 0.00 -2.10 0.00 0.00 70.33 69.07 3mwb n THR 291 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mwb s SER 292 N -0.57 4.18 0.37 3.42 1.04 -1.26 -4.45 113.70 116.43 3mwb s SER 292 Ca 0.00 1.83 0.10 0.00 0.48 0.00 0.00 55.95 58.35 3mwb s SER 292 Cb 0.00 -2.49 0.85 0.00 0.10 0.00 0.00 66.02 64.49 3mwb s SER 292 CO 0.00 -2.24 1.89 0.44 0.98 0.00 0.00 173.24 174.31 3mwb h ASP 293 N -1.27 0.60 -0.35 7.02 5.19 -1.98 -1.68 116.42 123.95 3mwb h ASP 293 Ca -0.44 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 55.96 3mwb h ASP 293 Cb 1.24 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 3mwb h ASP 293 CO 0.51 0.32 0.08 0.00 -3.12 0.00 0.00 179.24 177.03 3mwb h ALA 294 N 1.61 0.46 -0.58 3.45 0.00 -1.99 -1.31 119.26 120.90 3mwb h ALA 294 Ca 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3mwb h ALA 294 Cb 0.69 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3mwb h ALA 294 CO -0.17 0.13 0.32 0.00 0.00 0.00 0.00 179.25 179.53 3mwb h ALA 295 N 0.92 0.74 -0.95 0.00 0.00 -1.66 -0.28 119.26 118.03 3mwb h ALA 295 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3mwb h ALA 295 Cb 0.31 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3mwb h ALA 295 CO 0.00 0.25 0.63 0.74 0.00 0.00 0.00 179.25 180.86 3mwb h PHE 296 N 0.78 1.18 -0.19 0.00 -1.00 -1.15 -1.50 116.94 115.06 3mwb h PHE 296 Ca 0.20 0.03 -0.20 0.00 2.81 0.00 0.00 57.97 60.81 3mwb h PHE 296 Cb 0.03 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.20 3mwb h PHE 296 CO -0.01 0.72 -0.67 0.00 -1.61 0.00 0.00 178.31 176.73 3mwb h ALA 297 N 1.42 0.45 -0.49 2.45 0.00 -0.69 -1.63 119.26 120.77 3mwb h ALA 297 Ca 0.36 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3mwb h ALA 297 Cb -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3mwb h ALA 297 CO -0.09 0.70 0.31 0.77 0.00 0.00 0.00 179.25 180.93 3mwb h SER 298 N 0.53 0.57 -0.49 0.00 0.02 -0.75 -1.73 113.55 111.70 3mwb h SER 298 Ca -0.02 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3mwb h SER 298 Cb 1.28 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 3mwb h SER 298 CO 0.14 0.44 0.08 0.00 -1.14 0.00 0.00 176.83 176.35 3mwb h ALA 299 N 1.16 0.65 -0.74 3.77 0.00 -1.15 -0.56 119.26 122.39 3mwb h ALA 299 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3mwb h ALA 299 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3mwb h ALA 299 CO -0.04 0.38 0.43 1.25 0.00 0.00 0.00 179.25 181.28 3mwb h HIS 300 N 0.69 0.99 -0.47 0.00 6.17 -1.20 -1.32 115.15 120.01 3mwb h HIS 300 Ca 0.15 -0.01 -0.10 0.00 0.71 0.00 0.00 60.37 61.12 3mwb h HIS 300 Cb 0.39 -0.32 -0.02 0.00 2.52 0.00 0.00 27.41 29.98 3mwb h HIS 300 CO 0.03 0.67 -0.10 0.00 0.71 0.00 0.00 177.93 179.25 3mwb h ALA 301 N 1.23 0.95 -0.04 5.26 0.00 -1.05 0.41 119.26 126.01 3mwb h ALA 301 Ca 0.26 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mwb h ALA 301 Cb -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3mwb h ALA 301 CO -0.05 0.62 0.02 2.35 0.00 0.00 0.00 179.25 182.19 3mwb h TRP 302 N 0.76 0.06 -0.85 0.00 7.01 -0.72 -1.54 115.95 120.67 3mwb h TRP 302 Ca 0.13 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 3mwb h TRP 302 Cb 0.60 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 3mwb h TRP 302 CO 0.03 0.19 0.50 0.28 -2.79 0.00 0.00 178.44 176.66 3mwb h VAL 303 N -0.08 1.24 -0.97 2.65 2.07 -1.08 -1.93 116.25 118.15 3mwb h VAL 303 Ca 0.01 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3mwb h VAL 303 Cb 0.15 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 29.91 3mwb h VAL 303 CO -0.00 0.25 0.64 -0.78 0.02 0.00 0.00 177.57 177.70 3mwb h ASP 304 N 1.18 1.06 -0.58 0.57 3.58 -0.65 -0.94 116.42 120.64 3mwb h ASP 304 Ca 0.31 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.71 3mwb h ASP 304 Cb -0.04 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 3mwb h ASP 304 CO -0.06 0.73 0.26 0.77 -2.88 0.00 0.00 179.24 178.06 3mwb h SER 305 N 1.23 0.81 -0.05 2.28 4.64 -0.49 -0.01 113.55 121.96 3mwb h SER 305 Ca 0.38 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 3mwb h SER 305 Cb -0.01 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3mwb h SER 305 CO -0.11 0.72 -0.01 0.40 -0.87 0.00 0.00 176.83 176.95 3mwb h ILE 306 N 0.88 1.29 -0.41 0.95 2.04 -1.11 0.23 117.51 121.37 3mwb h ILE 306 Ca 0.21 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3mwb h ILE 306 Cb 0.15 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3mwb h ILE 306 CO -0.02 0.24 0.26 -0.07 0.00 0.00 0.00 178.15 178.56 3mwb h LEU 307 N -0.25 0.48 0.00 1.44 3.38 -0.89 -3.23 115.31 116.25 3mwb h LEU 307 Ca 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3mwb h LEU 307 Cb 0.40 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3mwb h LEU 307 CO 0.00 0.37 -1.01 0.11 0.09 0.00 0.00 178.44 178.01 3mwb h LYS 308 N 0.55 0.00 0.00 1.13 1.57 -1.05 -3.51 116.57 115.25 3mwb h LYS 308 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3mwb h LYS 308 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3mwb h LYS 308 CO -0.03 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.28