#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7a n THR 2 N 0.00 0.07 -3.33 2.46 -2.24 -1.26 -4.92 114.28 105.06 3a7a n THR 2 Ca 0.00 -0.54 -0.35 0.00 -2.27 0.00 0.00 64.05 60.89 3a7a n THR 2 Cb 0.00 1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 3a7a n THR 2 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a7a s LEU 3 N -1.51 4.33 0.01 3.22 1.43 -1.26 -1.69 118.68 123.20 3a7a s LEU 3 Ca 0.23 1.11 0.04 0.00 -1.03 0.00 0.00 54.13 54.47 3a7a s LEU 3 Cb 0.16 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.05 3a7a s LEU 3 CO 0.24 0.09 -0.12 -0.60 0.23 0.00 0.00 176.35 176.19 3a7a s ARG 4 N -1.98 0.92 -0.20 1.70 3.52 -0.66 -4.88 118.95 117.36 3a7a s ARG 4 Ca 0.39 -0.52 0.01 0.00 -0.13 0.00 0.00 55.73 55.47 3a7a s ARG 4 Cb -0.15 -0.89 0.04 0.00 -1.56 0.00 0.00 34.95 32.39 3a7a s ARG 4 CO 0.19 0.24 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.66 3a7a s LEU 5 N -0.55 2.22 -0.11 -0.88 2.96 -1.26 -1.62 118.68 119.44 3a7a s LEU 5 Ca 0.03 -0.89 0.03 0.00 -0.22 0.00 0.00 54.13 53.08 3a7a s LEU 5 Cb -0.06 -1.19 -0.00 0.00 0.50 0.00 0.00 46.19 45.44 3a7a s LEU 5 CO 0.00 -0.16 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.90 3a7a s LEU 6 N 1.43 2.24 -0.17 -0.68 1.43 -0.44 -1.10 118.68 121.39 3a7a s LEU 6 Ca -0.01 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3a7a s LEU 6 Cb -0.16 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.63 3a7a s LEU 6 CO -0.08 0.16 -0.15 -0.63 0.23 0.00 0.00 176.35 175.88 3a7a s ILE 7 N 0.32 1.76 -0.25 -0.59 -1.09 -0.32 -1.17 121.20 119.86 3a7a s ILE 7 Ca -0.17 -0.82 -0.17 0.00 -2.23 0.00 0.00 60.65 57.26 3a7a s ILE 7 Cb -0.17 -1.66 -0.03 0.00 -1.58 0.00 0.00 42.46 39.01 3a7a s ILE 7 CO 0.08 0.43 0.49 -0.55 -1.23 0.00 0.00 174.94 174.15 3a7a s SER 8 N 1.40 6.41 -0.07 3.58 0.15 -0.63 -0.43 113.70 124.11 3a7a s SER 8 Ca 0.04 0.49 0.12 0.00 0.70 0.00 0.00 55.95 57.30 3a7a s SER 8 Cb -0.14 -2.27 0.47 0.00 -1.71 0.00 0.00 66.02 62.37 3a7a s SER 8 CO -0.11 -0.25 1.32 0.47 1.20 0.00 0.00 173.24 175.87 3a7a n ASP 9 N 5.40 3.24 -4.84 5.45 8.00 -0.99 -4.63 116.55 128.18 3a7a n ASP 9 Ca -0.05 -2.29 -0.33 0.00 0.71 0.00 0.00 54.79 52.83 3a7a n ASP 9 Cb 0.50 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 3a7a n ASP 9 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3a7a s SER 10 N -0.75 6.02 -0.00 -2.24 0.15 -1.26 -4.60 113.70 111.01 3a7a s SER 10 Ca 0.33 0.24 0.10 0.00 0.70 0.00 0.00 55.95 57.32 3a7a s SER 10 Cb 0.21 -1.81 0.30 0.00 -1.71 0.00 0.00 66.02 63.01 3a7a s SER 10 CO 0.16 0.26 1.25 -1.22 1.20 0.00 0.00 173.24 174.89 3a7a n TYR 11 N 1.03 0.46 -2.65 3.44 4.01 -1.26 -4.51 117.16 117.67 3a7a n TYR 11 Ca -0.12 -0.51 -0.43 0.00 -0.16 0.00 0.00 57.90 56.69 3a7a n TYR 11 Cb 0.53 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 3a7a n TYR 11 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3a7a s ASP 12 N -1.02 6.85 0.25 7.72 3.68 -1.26 -1.74 116.67 131.15 3a7a s ASP 12 Ca 0.23 0.90 -0.05 0.00 2.13 0.00 0.00 52.55 55.76 3a7a s ASP 12 Cb 0.12 -2.53 0.28 0.00 -1.45 0.00 0.00 42.92 39.33 3a7a s ASP 12 CO 0.15 -0.94 1.84 1.55 0.13 0.00 0.00 175.17 177.91 3a7a h PRO 13 N 8.32 1.12 -0.07 4.34 0.13 -1.90 0.35 132.00 144.29 3a7a h PRO 13 Ca -0.21 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3a7a h PRO 13 Cb 1.06 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3a7a h PRO 13 CO 1.04 0.87 0.04 -1.49 -0.23 0.00 0.00 178.00 178.23 3a7a h TRP 14 N 1.11 0.09 0.05 1.56 6.55 -1.91 0.42 115.95 123.82 3a7a h TRP 14 Ca 0.27 0.00 0.03 0.00 0.95 0.00 0.00 58.89 60.13 3a7a h TRP 14 Cb 0.13 -0.03 -0.05 0.00 -0.86 0.00 0.00 29.16 28.35 3a7a h TRP 14 CO 0.01 0.10 -0.37 0.35 -1.05 0.00 0.00 178.44 177.48 3a7a h PHE 15 N 0.06 -1.03 -0.45 0.49 3.57 -1.78 -1.20 116.94 116.60 3a7a h PHE 15 Ca 0.03 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3a7a h PHE 15 Cb 0.03 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3a7a h PHE 15 CO -0.06 -0.46 0.12 -0.91 -2.23 0.00 0.00 178.31 174.77 3a7a h ASN 16 N -0.56 0.61 0.44 0.41 2.35 -0.01 -1.42 115.58 117.41 3a7a h ASN 16 Ca 0.04 -0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.53 3a7a h ASN 16 Cb 0.62 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3a7a h ASN 16 CO -0.26 0.60 -0.74 -0.07 -1.65 0.00 0.00 177.43 175.32 3a7a h LEU 17 N 0.65 0.29 -0.30 1.61 3.38 -0.06 -1.98 115.31 118.91 3a7a h LEU 17 Ca 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3a7a h LEU 17 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3a7a h LEU 17 CO -0.01 0.93 0.11 0.00 0.09 0.00 0.00 178.44 179.56 3a7a h ALA 18 N 1.06 0.39 -0.44 1.53 0.00 -0.65 -2.94 119.26 118.21 3a7a h ALA 18 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3a7a h ALA 18 Cb 1.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3a7a h ALA 18 CO 0.11 -0.00 0.25 0.28 0.00 0.00 0.00 179.25 179.89 3a7a h VAL 19 N 0.33 1.15 -0.08 0.00 2.07 -1.19 -2.35 116.25 116.19 3a7a h VAL 19 Ca 0.10 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3a7a h VAL 19 Cb 0.20 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3a7a h VAL 19 CO -0.01 0.16 -0.24 -0.08 0.02 0.00 0.00 177.57 177.42 3a7a h GLU 20 N 0.57 -0.33 0.15 1.57 4.81 -1.28 -2.10 114.58 117.98 3a7a h GLU 20 Ca 0.15 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3a7a h GLU 20 Cb 0.04 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3a7a h GLU 20 CO -0.03 -0.22 -0.07 1.49 -0.73 0.00 0.00 179.01 179.46 3a7a h GLU 21 N -0.34 -0.19 -0.08 1.92 4.81 -1.42 -1.23 114.58 118.05 3a7a h GLU 21 Ca 0.08 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3a7a h GLU 21 Cb 0.46 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3a7a h GLU 21 CO -0.27 -0.10 -0.37 0.00 -0.73 0.00 0.00 179.01 177.54 3a7a h ILE 23 N -0.40 0.09 -0.36 0.00 1.08 -1.38 -0.25 117.51 116.29 3a7a h ILE 23 Ca 0.02 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.56 3a7a h ILE 23 Cb 0.47 0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 34.24 3a7a h ILE 23 CO -0.29 0.00 -0.10 0.15 -0.69 0.00 0.00 178.15 177.22 3a7a h PHE 24 N -0.08 -0.22 0.39 1.37 3.57 0.21 -0.50 116.94 121.67 3a7a h PHE 24 Ca 0.29 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 3a7a h PHE 24 Cb 0.57 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.47 3a7a h PHE 24 CO -0.75 -0.17 -0.19 0.00 -2.23 0.00 0.00 178.31 174.98 3a7a h ARG 25 N -0.01 -0.50 -0.46 1.11 3.08 1.00 -3.15 114.38 115.44 3a7a h ARG 25 Ca 0.18 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3a7a h ARG 25 Cb 0.28 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3a7a h ARG 25 CO -0.38 -0.19 0.00 0.00 -1.07 0.00 0.00 179.97 178.33 3a7a n GLN 26 N -5.19 0.91 -2.47 0.04 -0.00 -0.21 -4.86 117.38 105.60 3a7a n GLN 26 Ca -0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.48 3a7a n GLN 26 Cb 0.28 -1.23 -0.03 0.00 -0.00 0.00 0.00 30.24 29.27 3a7a n GLN 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 3a7a s MET 27 N -1.50 4.42 0.95 2.61 1.75 -0.21 -5.01 119.30 122.32 3a7a s MET 27 Ca 0.00 1.69 -0.14 0.00 -1.25 0.00 0.00 55.69 55.99 3a7a s MET 27 Cb 0.00 -3.44 -0.01 0.00 2.84 0.00 0.00 34.83 34.22 3a7a s MET 27 CO 0.00 -0.30 0.13 -2.30 -0.65 0.00 0.00 175.02 171.89 3a7a n PRO 28 N 4.39 -0.19 0.22 4.11 -0.02 -1.26 -4.90 135.00 137.34 3a7a n PRO 28 Ca 0.09 -0.02 0.10 0.00 -2.02 0.00 0.00 63.50 61.65 3a7a n PRO 28 Cb 0.47 -1.65 0.36 0.00 -0.02 0.00 0.00 33.50 32.66 3a7a n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a7a h ALA 29 N -1.37 0.95 0.00 3.55 0.00 -1.99 -3.30 119.26 117.10 3a7a h ALA 29 Ca -0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 3a7a h ALA 29 Cb 1.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3a7a h ALA 29 CO 0.32 0.23 -0.35 0.25 0.00 0.00 0.00 179.25 179.70 3a7a n THR 30 N -3.24 1.98 -2.70 0.00 -2.24 -1.26 -4.50 114.28 102.31 3a7a n THR 30 Ca 0.01 -2.78 -0.22 0.00 -2.27 0.00 0.00 64.05 58.80 3a7a n THR 30 Cb 0.48 -0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.56 3a7a n THR 30 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3a7a s GLN 31 N -2.94 2.67 -0.14 -0.78 -0.21 -1.24 -4.86 119.66 112.16 3a7a s GLN 31 Ca 0.35 -0.67 -0.02 0.00 0.02 0.00 0.00 55.36 55.04 3a7a s GLN 31 Cb 0.33 -2.49 0.04 0.00 1.00 0.00 0.00 33.01 31.90 3a7a s GLN 31 CO -0.04 -0.62 0.00 1.03 -2.12 0.00 0.00 175.29 173.54 3a7a s ARG 32 N -4.73 0.83 -0.17 2.91 3.00 -0.68 -3.80 118.95 116.29 3a7a s ARG 32 Ca 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 55.73 56.02 3a7a s ARG 32 Cb -0.10 -1.64 -0.02 0.00 0.00 0.00 0.00 34.95 33.19 3a7a s ARG 32 CO 0.39 -0.46 -0.05 0.08 0.00 0.00 0.00 175.30 175.26 3a7a s VAL 33 N 1.85 3.61 -0.17 3.52 1.01 0.42 -1.65 120.40 129.00 3a7a s VAL 33 Ca 0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3a7a s VAL 33 Cb -0.15 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 3a7a s VAL 33 CO -0.07 0.47 -0.08 -0.22 0.00 0.00 0.00 175.10 175.20 3a7a s LEU 34 N 0.74 2.90 -0.17 3.92 2.96 -0.64 0.13 118.68 128.51 3a7a s LEU 34 Ca -0.02 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3a7a s LEU 34 Cb -0.15 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.87 3a7a s LEU 34 CO 0.02 0.10 -0.17 0.12 -1.32 0.00 0.00 176.35 175.09 3a7a s PHE 35 N 0.78 2.57 -0.14 5.38 5.36 0.42 -1.33 117.98 131.02 3a7a s PHE 35 Ca -0.03 -1.52 -0.03 0.00 -0.96 0.00 0.00 56.93 54.40 3a7a s PHE 35 Cb -0.15 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 3a7a s PHE 35 CO 0.01 -0.76 -0.06 -0.51 -1.46 0.00 0.00 175.22 172.45 3a7a s LEU 36 N 1.36 3.15 0.03 6.12 1.43 -0.31 -0.72 118.68 129.73 3a7a s LEU 36 Ca 0.04 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 3a7a s LEU 36 Cb -0.13 -1.74 0.09 0.00 0.03 0.00 0.00 46.19 44.44 3a7a s LEU 36 CO -0.12 0.18 0.97 -1.66 0.23 0.00 0.00 176.35 175.95 3a7a s TRP 37 N 0.27 -0.24 0.20 0.29 1.48 -1.00 -1.61 118.94 118.34 3a7a s TRP 37 Ca -0.04 0.06 -0.12 0.00 -1.06 0.00 0.00 56.10 54.93 3a7a s TRP 37 Cb -0.14 0.57 0.00 0.00 -1.16 0.00 0.00 33.47 32.74 3a7a s TRP 37 CO 0.03 -0.59 0.40 -0.98 -4.06 0.00 0.00 176.95 171.76 3a7a s ARG 38 N -3.07 1.35 -0.04 3.25 1.70 -1.26 0.00 118.95 120.88 3a7a s ARG 38 Ca 0.08 -1.14 0.04 0.00 -0.47 0.00 0.00 55.73 54.24 3a7a s ARG 38 Cb -0.01 0.44 -0.00 0.00 -0.57 0.00 0.00 34.95 34.81 3a7a s ARG 38 CO -0.05 -0.54 -0.14 -0.80 -1.08 0.00 0.00 175.30 172.69 3a7a s ASN 39 N -2.97 1.83 0.34 -2.89 0.01 -1.26 -4.21 114.94 105.78 3a7a s ASN 39 Ca 0.18 -0.30 -0.28 0.00 -0.71 0.00 0.00 52.86 51.76 3a7a s ASN 39 Cb 0.01 -0.51 -0.09 0.00 0.41 0.00 0.00 41.25 41.06 3a7a s ASN 39 CO 0.03 0.12 1.16 0.00 -1.51 0.00 0.00 177.10 176.89 3a7a s ALA 40 N 0.11 3.32 0.00 0.60 0.00 -0.71 -2.84 121.76 122.24 3a7a s ALA 40 Ca -0.04 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3a7a s ALA 40 Cb -0.11 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3a7a s ALA 40 CO 0.02 -0.37 0.00 -0.25 0.00 0.00 0.00 175.76 175.16 3a7a n ASP 41 N 0.67 0.00 -3.82 0.00 8.00 -0.90 -4.74 116.55 115.76 3a7a n ASP 41 Ca 0.01 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.40 3a7a n ASP 41 Cb 0.45 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.46 3a7a n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3a7a s THR 42 N 0.00 0.09 -0.19 -3.53 2.01 0.15 -2.17 115.64 111.99 3a7a s THR 42 Ca 0.00 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 3a7a s THR 42 Cb 0.00 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.79 3a7a s THR 42 CO 0.00 -0.39 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.69 3a7a s VAL 43 N -1.99 2.43 -0.18 3.82 1.01 0.12 -0.21 120.40 125.39 3a7a s VAL 43 Ca -0.09 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3a7a s VAL 43 Cb -0.04 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3a7a s VAL 43 CO -0.01 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 174.89 3a7a s VAL 44 N 1.34 3.97 0.23 2.92 1.01 -0.22 -1.38 120.40 128.27 3a7a s VAL 44 Ca 0.05 -0.32 0.12 0.00 0.00 0.00 0.00 61.98 61.83 3a7a s VAL 44 Cb -0.13 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3a7a s VAL 44 CO -0.10 0.45 -0.22 0.27 0.00 0.00 0.00 175.10 175.51 3a7a s ILE 45 N 0.74 2.38 0.84 2.22 -4.36 -0.65 -1.50 121.20 120.86 3a7a s ILE 45 Ca -0.00 -2.22 -0.12 0.00 -0.26 0.00 0.00 60.65 58.05 3a7a s ILE 45 Cb -0.14 -2.20 0.10 0.00 1.25 0.00 0.00 42.46 41.47 3a7a s ILE 45 CO 0.02 -0.27 1.13 -0.83 0.24 0.00 0.00 174.94 175.23 3a7a s GLY 46 N -3.09 1.60 0.17 6.27 0.00 -1.21 0.10 107.32 111.15 3a7a s GLY 46 Ca 0.25 -0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.23 3a7a s GLY 46 CO 0.12 0.04 1.53 0.54 0.00 0.00 0.00 173.10 175.33 3a7a n ARG 47 N -3.51 -0.40 -1.57 2.90 1.74 0.78 -2.57 116.66 114.02 3a7a n ARG 47 Ca 0.07 1.51 -0.34 0.00 -0.77 0.00 0.00 57.85 58.31 3a7a n ARG 47 Cb 0.59 -2.22 0.06 0.00 -1.02 0.00 0.00 32.46 29.87 3a7a n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a7a n ALA 48 N -3.29 6.17 -2.67 7.54 0.00 -1.26 -4.86 120.51 122.14 3a7a n ALA 48 Ca 0.03 -3.67 -0.34 0.00 0.00 0.00 0.00 53.44 49.46 3a7a n ALA 48 Cb 0.28 -1.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.03 3a7a n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3a7a s GLN 49 N -3.84 2.96 -0.47 0.00 -0.21 -1.06 -1.02 119.66 116.02 3a7a s GLN 49 Ca 0.60 -0.47 -0.27 0.00 0.02 0.00 0.00 55.36 55.24 3a7a s GLN 49 Cb 0.48 -2.73 0.03 0.00 1.00 0.00 0.00 33.01 31.78 3a7a s GLN 49 CO -0.09 0.65 1.04 1.21 -2.12 0.00 0.00 175.29 175.97 3a7a s ASN 50 N -0.74 6.57 0.15 5.90 3.84 -1.26 -4.63 114.94 124.76 3a7a s ASN 50 Ca 0.11 0.29 -0.15 0.00 0.21 0.00 0.00 52.86 53.33 3a7a s ASN 50 Cb -0.11 -2.50 0.03 0.00 -0.55 0.00 0.00 41.25 38.11 3a7a s ASN 50 CO 0.02 -1.16 1.75 1.55 -2.79 0.00 0.00 177.10 176.47 3a7a h PRO 51 N 9.16 0.64 0.00 0.43 0.13 -1.89 -1.08 132.00 139.39 3a7a h PRO 51 Ca -0.23 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3a7a h PRO 51 Cb 1.07 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3a7a h PRO 51 CO 1.08 0.52 0.00 -1.49 -0.23 0.00 0.00 178.00 177.88 3a7a h TRP 52 N 0.60 0.00 0.00 1.56 6.55 -1.92 -1.93 115.95 120.81 3a7a h TRP 52 Ca 0.16 0.00 -0.23 0.00 0.95 0.00 0.00 58.89 59.77 3a7a h TRP 52 Cb 0.07 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.33 3a7a h TRP 52 CO -0.02 0.00 -2.14 1.17 -1.05 0.00 0.00 178.44 176.41 3a7a n LYS 53 N -2.66 0.91 0.01 0.49 4.81 -0.82 -4.59 118.16 116.30 3a7a n LYS 53 Ca -0.01 -0.06 0.11 0.00 -0.87 0.00 0.00 58.31 57.47 3a7a n LYS 53 Cb 0.10 -1.46 -0.09 0.00 0.02 0.00 0.00 35.03 33.59 3a7a n LYS 53 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3a7a n GLU 54 N -2.52 0.31 -3.98 1.64 -0.58 -0.47 -4.78 120.64 110.26 3a7a n GLU 54 Ca -0.22 -0.07 -0.10 0.00 -0.42 0.00 0.00 57.16 56.36 3a7a n GLU 54 Cb 0.92 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 30.18 3a7a n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3a7a n ASN 56 N -0.30 5.08 0.09 0.00 2.85 0.35 -4.47 115.26 118.86 3a7a n ASN 56 Ca -0.04 -2.98 0.18 0.00 -0.11 0.00 0.00 54.58 51.63 3a7a n ASN 56 Cb 0.63 -1.59 0.73 0.00 1.24 0.00 0.00 39.78 40.78 3a7a n ASN 56 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3a7a h THR 57 N 4.62 0.64 0.09 -0.44 1.35 -1.85 0.24 112.91 117.57 3a7a h THR 57 Ca 0.37 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.22 3a7a h THR 57 Cb 0.82 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3a7a h THR 57 CO 1.38 0.00 -0.04 -0.09 -0.25 0.00 0.00 175.52 176.52 3a7a h ARG 58 N 0.00 -0.12 -0.23 4.72 2.43 -1.88 -0.93 114.38 118.37 3a7a h ARG 58 Ca 0.18 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3a7a h ARG 58 Cb 0.80 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 3a7a h ARG 58 CO -0.00 0.35 0.11 0.00 -1.51 0.00 0.00 179.97 178.91 3a7a h ARG 59 N -0.65 0.23 -0.90 0.20 3.08 -1.71 -1.13 114.38 113.48 3a7a h ARG 59 Ca -0.01 -0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.24 3a7a h ARG 59 Cb 0.52 -0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.40 3a7a h ARG 59 CO 0.02 0.15 0.41 0.52 -1.07 0.00 0.00 179.97 180.01 3a7a h MET 60 N 0.23 0.41 -0.06 0.04 2.86 -0.55 -1.38 114.93 116.48 3a7a h MET 60 Ca 0.09 -0.02 -0.24 0.00 -2.06 0.00 0.00 59.70 57.47 3a7a h MET 60 Cb 0.03 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.61 3a7a h MET 60 CO -0.07 0.27 -0.91 1.49 1.06 0.00 0.00 176.91 178.75 3a7a h GLU 61 N 0.42 0.65 0.00 1.72 4.81 -0.59 0.31 114.58 121.90 3a7a h GLU 61 Ca 0.56 -0.62 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3a7a h GLU 61 Cb 1.07 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3a7a h GLU 61 CO -0.52 1.23 -0.14 0.93 -0.73 0.00 0.00 179.01 179.78 3a7a h GLU 62 N 0.40 0.00 -0.19 1.92 5.08 -0.16 -2.55 114.58 119.09 3a7a h GLU 62 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3a7a h GLU 62 Cb 1.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 3a7a h GLU 62 CO 0.17 0.14 -0.01 -0.25 -1.00 0.00 0.00 179.01 178.06 3a7a n ASP 63 N -3.94 3.30 -3.68 1.42 8.00 -0.81 -4.98 116.55 115.87 3a7a n ASP 63 Ca -0.02 -3.12 -0.21 0.00 0.71 0.00 0.00 54.79 52.15 3a7a n ASP 63 Cb 0.23 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3a7a n ASP 63 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3a7a n ASN 64 N -0.84 -0.67 -4.66 -2.24 6.94 -0.96 -4.91 115.26 107.93 3a7a n ASN 64 Ca 0.21 -0.70 -0.41 0.00 -0.02 0.00 0.00 54.58 53.66 3a7a n ASN 64 Cb 0.83 -0.85 -0.05 0.00 -2.36 0.00 0.00 39.78 37.35 3a7a n ASN 64 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3a7a s VAL 65 N -3.95 4.95 0.39 3.53 1.01 0.11 -5.01 120.40 121.43 3a7a s VAL 65 Ca 0.12 1.36 -0.25 0.00 0.00 0.00 0.00 61.98 63.21 3a7a s VAL 65 Cb -0.07 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3a7a s VAL 65 CO 0.53 0.05 1.15 -0.60 0.00 0.00 0.00 175.10 176.24 3a7a s ARG 66 N 2.17 4.10 -0.12 2.72 3.52 -0.92 -4.59 118.95 125.83 3a7a s ARG 66 Ca 0.32 1.80 -0.02 0.00 -0.13 0.00 0.00 55.73 57.70 3a7a s ARG 66 Cb -0.16 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 3a7a s ARG 66 CO 0.10 -0.27 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.12 3a7a s LEU 67 N -2.45 3.30 -0.11 -0.88 2.96 -1.26 0.14 118.68 120.38 3a7a s LEU 67 Ca 0.56 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.40 3a7a s LEU 67 Cb -0.30 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.68 3a7a s LEU 67 CO 0.37 0.27 0.16 0.00 -1.32 0.00 0.00 176.35 175.83 3a7a s ALA 68 N -0.22 -0.11 0.07 5.97 0.00 -0.48 -4.95 121.76 122.04 3a7a s ALA 68 Ca 0.04 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 3a7a s ALA 68 Cb -0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 3a7a s ALA 68 CO 0.02 -0.75 0.91 0.50 0.00 0.00 0.00 175.76 176.44 3a7a s ARG 69 N 2.28 4.62 0.27 0.00 3.52 -1.26 -1.64 118.95 126.73 3a7a s ARG 69 Ca 0.04 1.33 0.06 0.00 -0.13 0.00 0.00 55.73 57.03 3a7a s ARG 69 Cb -0.13 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3a7a s ARG 69 CO -0.07 0.18 0.30 -0.98 -0.81 0.00 0.00 175.30 173.92 3a7a s ARG 70 N 0.17 3.10 0.33 5.12 1.70 0.11 -4.89 118.95 124.59 3a7a s ARG 70 Ca 0.45 -0.98 0.13 0.00 -0.47 0.00 0.00 55.73 54.87 3a7a s ARG 70 Cb -0.22 -2.70 0.56 0.00 -0.57 0.00 0.00 34.95 32.02 3a7a s ARG 70 CO 0.27 0.34 1.71 0.66 -1.08 0.00 0.00 175.30 177.21 3a7a h SER 71 N 1.28 0.00 -3.79 -2.89 4.64 -1.95 -2.96 113.55 107.89 3a7a h SER 71 Ca -0.49 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.40 3a7a h SER 71 Cb 1.24 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 63.51 3a7a h SER 71 CO 0.60 0.49 0.30 -0.94 -0.87 0.00 0.00 176.83 176.40 3a7a s SER 72 N -6.79 2.13 0.00 4.97 1.04 -1.26 -4.58 113.70 109.21 3a7a s SER 72 Ca -0.02 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.81 3a7a s SER 72 Cb 0.13 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.75 3a7a s SER 72 CO 0.73 -3.36 0.00 0.61 0.98 0.00 0.00 173.24 172.21 3a7a n GLY 73 N -2.59 1.39 0.07 7.32 0.00 -1.26 -0.16 105.19 109.96 3a7a n GLY 73 Ca 0.15 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3a7a n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7a n GLY 74 N 5.00 -3.77 1.38 -0.02 0.00 -1.26 -4.42 105.19 102.11 3a7a n GLY 74 Ca 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 3a7a n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7a n GLY 75 N -0.26 0.37 3.71 -0.02 0.00 -1.26 -3.32 105.19 104.40 3a7a n GLY 75 Ca 0.00 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 3a7a n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7a s ALA 76 N -3.10 3.42 0.18 4.61 0.00 -1.26 -3.99 121.76 121.61 3a7a s ALA 76 Ca 0.24 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.21 3a7a s ALA 76 Cb -0.01 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3a7a s ALA 76 CO 0.16 -0.10 -0.14 0.14 0.00 0.00 0.00 175.76 175.82 3a7a s VAL 77 N 0.84 1.60 -0.07 0.00 -7.23 -0.57 -4.98 120.40 109.99 3a7a s VAL 77 Ca 0.31 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 3a7a s VAL 77 Cb -0.16 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3a7a s VAL 77 CO 0.14 -0.54 -0.02 0.12 -0.31 0.00 0.00 175.10 174.48 3a7a s PHE 78 N -2.74 3.09 -0.10 2.82 5.36 -1.26 -1.06 117.98 124.09 3a7a s PHE 78 Ca 0.18 0.14 -0.00 0.00 -0.96 0.00 0.00 56.93 56.29 3a7a s PHE 78 Cb -0.02 -1.76 0.02 0.00 -0.34 0.00 0.00 43.02 40.93 3a7a s PHE 78 CO 0.05 0.43 -0.08 -1.01 -1.46 0.00 0.00 175.22 173.16 3a7a s HIS 79 N -0.88 1.42 0.00 10.12 3.76 0.70 -4.94 115.29 125.47 3a7a s HIS 79 Ca 0.13 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 3a7a s HIS 79 Cb -0.11 -1.18 0.00 0.00 1.11 0.00 0.00 32.58 32.40 3a7a s HIS 79 CO 0.03 -0.47 0.00 -0.40 -0.85 0.00 0.00 174.74 173.05 3a7a n ASP 80 N 4.80 1.47 0.00 1.40 5.68 -1.13 0.30 116.55 129.07 3a7a n ASP 80 Ca -0.14 -0.80 0.07 0.00 -0.50 0.00 0.00 54.79 53.42 3a7a n ASP 80 Cb 0.50 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.80 3a7a n ASP 80 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3a7a n LEU 81 N 0.00 0.00 -0.03 -2.12 4.77 -1.25 -0.92 117.00 117.45 3a7a n LEU 81 Ca 0.00 0.45 0.14 0.00 -0.03 0.00 0.00 56.01 56.57 3a7a n LEU 81 Cb 0.00 -0.45 0.55 0.00 -2.33 0.00 0.00 43.42 41.18 3a7a n LEU 81 CO 0.00 -0.23 0.83 0.61 -1.33 0.00 0.00 177.39 177.27 3a7a n GLY 82 N -0.03 -1.29 3.58 -0.72 0.00 -1.26 -4.75 105.19 100.72 3a7a n GLY 82 Ca 0.04 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3a7a n GLY 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a7a s ASN 83 N -2.83 5.53 -0.19 1.61 2.47 -0.10 -1.91 114.94 119.52 3a7a s ASN 83 Ca 0.18 -0.01 -0.07 0.00 0.42 0.00 0.00 52.86 53.39 3a7a s ASN 83 Cb 0.19 -1.97 -0.04 0.00 -1.45 0.00 0.00 41.25 37.99 3a7a s ASN 83 CO 0.55 0.09 0.05 -0.89 -3.72 0.00 0.00 177.10 173.18 3a7a s THR 84 N 0.85 4.58 0.01 -5.21 2.01 -0.76 -4.45 115.64 112.68 3a7a s THR 84 Ca 0.04 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.94 3a7a s THR 84 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3a7a s THR 84 CO 0.02 0.44 0.09 0.00 -0.69 0.00 0.00 174.62 174.48 3a7a s PHE 86 N -1.24 0.16 -0.12 0.00 -0.12 -0.70 -2.36 117.98 113.61 3a7a s PHE 86 Ca 0.24 0.03 0.02 0.00 -0.05 0.00 0.00 56.93 57.18 3a7a s PHE 86 Cb -0.12 -0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.05 3a7a s PHE 86 CO 0.16 -0.07 -0.19 0.99 -0.05 0.00 0.00 175.22 176.06 3a7a s THR 87 N 0.63 1.75 -0.23 -4.49 2.01 0.10 -0.79 115.64 114.62 3a7a s THR 87 Ca -0.06 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 3a7a s THR 87 Cb -0.08 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 3a7a s THR 87 CO -0.01 0.49 0.03 -0.36 -0.69 0.00 0.00 174.62 174.07 3a7a s PHE 88 N 0.82 3.04 -0.07 4.92 0.08 0.24 -0.43 117.98 126.59 3a7a s PHE 88 Ca -0.09 -0.57 0.04 0.00 0.12 0.00 0.00 56.93 56.43 3a7a s PHE 88 Cb -0.16 -2.18 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 3a7a s PHE 88 CO -0.00 -0.40 -0.18 -1.64 -0.10 0.00 0.00 175.22 172.90 3a7a s MET 89 N 1.49 2.67 -0.19 0.44 -1.94 0.35 -0.14 119.30 121.98 3a7a s MET 89 Ca 0.06 -0.78 -0.26 0.00 -1.71 0.00 0.00 55.69 53.00 3a7a s MET 89 Cb -0.15 -2.33 0.07 0.00 2.01 0.00 0.00 34.83 34.43 3a7a s MET 89 CO 0.01 0.46 0.68 0.00 -0.01 0.00 0.00 175.02 176.17 3a7a s ALA 90 N -0.32 -1.72 0.72 3.03 0.00 -0.92 0.16 121.76 122.70 3a7a s ALA 90 Ca 0.02 1.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 3a7a s ALA 90 Cb -0.13 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.24 3a7a s ALA 90 CO 0.02 -0.34 1.07 0.20 0.00 0.00 0.00 175.76 176.72 3a7a s GLY 91 N -0.14 1.65 0.48 0.00 0.00 -1.25 -3.02 107.32 105.04 3a7a s GLY 91 Ca -0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.51 3a7a s GLY 91 CO 0.04 0.24 0.79 0.54 0.00 0.00 0.00 173.10 174.71 3a7a s LYS 92 N -5.16 3.56 -0.05 2.90 1.02 0.27 -1.18 119.74 121.09 3a7a s LYS 92 Ca 0.58 0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.87 3a7a s LYS 92 Cb -0.13 -2.37 0.27 0.00 -0.52 0.00 0.00 37.83 35.09 3a7a s LYS 92 CO 0.54 -0.20 1.04 -0.35 -0.92 0.00 0.00 175.35 175.46 3a7a n PRO 93 N -2.21 2.12 0.09 -1.68 -0.04 -1.26 -4.86 135.00 127.17 3a7a n PRO 93 Ca 0.01 -1.07 -0.05 0.00 -0.04 0.00 0.00 63.50 62.35 3a7a n PRO 93 Cb 0.55 -1.57 0.10 0.00 -0.04 0.00 0.00 33.50 32.54 3a7a n PRO 93 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3a7a h GLU 94 N 1.49 0.18 -6.29 0.54 4.81 -1.83 -3.45 114.58 110.02 3a7a h GLU 94 Ca 0.00 -0.14 -0.67 0.00 -0.13 0.00 0.00 59.36 58.42 3a7a h GLU 94 Cb 0.79 0.03 0.05 0.00 0.63 0.00 0.00 28.75 30.24 3a7a h GLU 94 CO 0.11 0.78 0.61 0.98 -0.73 0.00 0.00 179.01 180.76 3a7a n TYR 95 N -3.81 1.77 -3.31 0.92 9.36 -0.33 -4.96 117.16 116.81 3a7a n TYR 95 Ca -0.02 0.53 -0.08 0.00 3.32 0.00 0.00 57.90 61.64 3a7a n TYR 95 Cb 0.66 -2.40 -0.06 0.00 -0.63 0.00 0.00 39.34 36.90 3a7a n TYR 95 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3a7a s ASP 96 N 1.22 0.25 0.10 2.98 2.15 -1.26 -4.98 116.67 117.13 3a7a s ASP 96 Ca 0.86 -0.17 -0.15 0.00 0.43 0.00 0.00 52.55 53.52 3a7a s ASP 96 Cb -0.91 1.16 0.01 0.00 -0.30 0.00 0.00 42.92 42.88 3a7a s ASP 96 CO 0.49 -0.34 0.86 1.17 -0.17 0.00 0.00 175.17 177.18 3a7a n LYS 97 N 5.36 -0.21 0.01 4.34 4.81 -1.26 -0.22 118.16 130.99 3a7a n LYS 97 Ca -0.00 0.85 0.21 0.00 -0.87 0.00 0.00 58.31 58.49 3a7a n LYS 97 Cb 0.50 -1.25 0.71 0.00 0.02 0.00 0.00 35.03 35.01 3a7a n LYS 97 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3a7a h THR 98 N 0.00 0.65 -0.26 3.15 1.35 -1.99 -0.70 112.91 115.12 3a7a h THR 98 Ca 0.12 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.92 3a7a h THR 98 Cb 0.26 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 3a7a h THR 98 CO -0.53 0.00 -0.08 0.40 -0.25 0.00 0.00 175.52 175.05 3a7a h ILE 99 N 0.00 1.29 -0.03 6.82 5.03 -1.03 -2.28 117.51 127.31 3a7a h ILE 99 Ca 0.25 -1.13 -0.12 0.00 -0.12 0.00 0.00 64.86 63.74 3a7a h ILE 99 Cb 1.05 1.48 -0.02 0.00 -3.03 0.00 0.00 36.82 36.31 3a7a h ILE 99 CO -0.00 0.35 -0.54 0.77 -0.68 0.00 0.00 178.15 178.05 3a7a h SER 100 N 0.26 0.08 -0.03 1.72 4.64 -1.21 -2.47 113.55 116.55 3a7a h SER 100 Ca 0.06 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3a7a h SER 100 Cb 0.57 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3a7a h SER 100 CO 0.03 0.61 0.02 0.74 -0.87 0.00 0.00 176.83 177.36 3a7a h THR 101 N 0.06 1.02 -0.49 2.95 2.02 -1.04 -1.78 112.91 115.66 3a7a h THR 101 Ca -0.00 -0.06 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 3a7a h THR 101 Cb 0.98 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 3a7a h THR 101 CO 0.07 0.02 -0.17 0.77 0.37 0.00 0.00 175.52 176.59 3a7a h SER 102 N 0.02 0.96 -0.90 4.18 4.64 -1.39 -0.89 113.55 120.17 3a7a h SER 102 Ca 0.01 -0.33 0.14 0.00 -0.47 0.00 0.00 61.79 61.14 3a7a h SER 102 Cb 0.02 -0.26 -0.09 0.00 -0.31 0.00 0.00 62.40 61.75 3a7a h SER 102 CO -0.00 1.10 0.51 0.40 -0.87 0.00 0.00 176.83 177.97 3a7a h ILE 103 N 0.83 0.78 -0.08 0.95 2.04 -1.24 1.47 117.51 122.26 3a7a h ILE 103 Ca 0.12 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3a7a h ILE 103 Cb 0.72 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3a7a h ILE 103 CO 0.06 0.13 -0.08 0.58 0.00 0.00 0.00 178.15 178.84 3a7a h VAL 104 N 0.74 1.36 -0.43 1.67 2.07 -0.99 -1.88 116.25 118.79 3a7a h VAL 104 Ca 0.49 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.83 3a7a h VAL 104 Cb 0.64 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 3a7a h VAL 104 CO -0.34 0.34 0.29 -0.07 0.02 0.00 0.00 177.57 177.81 3a7a h LEU 105 N -0.22 0.37 0.52 2.57 3.38 -0.09 -1.18 115.31 120.64 3a7a h LEU 105 Ca 0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3a7a h LEU 105 Cb 0.58 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.25 3a7a h LEU 105 CO 0.02 0.25 -0.25 0.78 0.09 0.00 0.00 178.44 179.33 3a7a h ASN 106 N 0.42 -0.59 -0.81 -0.43 -0.26 0.21 -1.87 115.58 112.26 3a7a h ASN 106 Ca 0.18 -0.00 0.17 0.00 -0.56 0.00 0.00 56.30 56.09 3a7a h ASN 106 Cb 0.19 0.15 -0.11 0.00 -1.06 0.00 0.00 38.32 37.49 3a7a h ASN 106 CO -0.04 -0.38 0.33 0.00 -1.06 0.00 0.00 177.43 176.28 3a7a h ALA 107 N -0.28 1.20 -0.42 -0.83 0.00 -0.59 0.39 119.26 118.72 3a7a h ALA 107 Ca -0.07 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3a7a h ALA 107 Cb 0.56 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3a7a h ALA 107 CO 0.12 -0.25 0.26 -0.07 0.00 0.00 0.00 179.25 179.30 3a7a h LEU 108 N 0.43 0.44 -0.29 0.00 3.38 -1.09 -2.08 115.31 116.10 3a7a h LEU 108 Ca 0.47 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.45 3a7a h LEU 108 Cb 0.78 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3a7a h LEU 108 CO -0.46 0.31 0.15 -1.13 0.09 0.00 0.00 178.44 177.40 3a7a h ASN 109 N 0.53 0.22 -0.84 -0.43 -1.24 -0.16 0.36 115.58 114.03 3a7a h ASN 109 Ca 0.16 0.01 0.15 0.00 0.71 0.00 0.00 56.30 57.34 3a7a h ASN 109 Cb -0.02 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 38.94 3a7a h ASN 109 CO -0.06 0.17 0.55 0.00 -1.29 0.00 0.00 177.43 176.80 3a7a h ALA 110 N 1.14 1.98 0.00 1.57 0.00 -0.64 0.44 119.26 123.75 3a7a h ALA 110 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3a7a h ALA 110 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3a7a h ALA 110 CO -0.08 -0.21 0.00 -0.07 0.00 0.00 0.00 179.25 178.90 3a7a h LEU 111 N 0.56 0.00 0.00 0.00 3.38 -0.79 -3.47 115.31 114.99 3a7a h LEU 111 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3a7a h LEU 111 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3a7a h LEU 111 CO -0.17 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.97 3a7a n GLY 112 N 1.16 1.04 3.73 0.83 0.00 0.15 -5.05 105.19 107.05 3a7a n GLY 112 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3a7a n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a7a s VAL 113 N -2.01 4.84 -0.31 1.61 1.01 0.12 -4.89 120.40 120.77 3a7a s VAL 113 Ca 0.00 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.63 3a7a s VAL 113 Cb 0.00 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.27 3a7a s VAL 113 CO 0.00 0.29 0.04 -0.55 0.00 0.00 0.00 175.10 174.88 3a7a s SER 114 N 0.42 5.01 0.07 3.32 0.15 -1.26 -1.93 113.70 119.48 3a7a s SER 114 Ca 0.42 -1.11 0.07 0.00 0.70 0.00 0.00 55.95 56.02 3a7a s SER 114 Cb -0.20 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 3a7a s SER 114 CO 0.23 -0.26 -0.18 0.00 1.20 0.00 0.00 173.24 174.23 3a7a s ALA 115 N 1.35 1.53 -0.01 5.45 0.00 -1.26 -4.59 121.76 124.22 3a7a s ALA 115 Ca -0.02 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.90 3a7a s ALA 115 Cb -0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3a7a s ALA 115 CO 0.00 0.30 -0.12 -1.83 0.00 0.00 0.00 175.76 174.11 3a7a s GLU 116 N -1.58 2.44 0.39 0.00 -1.05 -0.50 -4.93 118.70 113.47 3a7a s GLU 116 Ca 0.04 -0.76 -0.27 0.00 -0.15 0.00 0.00 54.97 53.83 3a7a s GLU 116 Cb -0.09 -2.39 -0.09 0.00 -0.44 0.00 0.00 34.13 31.11 3a7a s GLU 116 CO 0.03 0.60 1.31 0.00 0.95 0.00 0.00 175.26 178.15 3a7a s ALA 117 N -0.88 3.32 0.01 -0.84 0.00 -1.26 -1.85 121.76 120.25 3a7a s ALA 117 Ca 0.14 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.37 3a7a s ALA 117 Cb -0.11 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 3a7a s ALA 117 CO 0.04 -0.79 -0.05 0.45 0.00 0.00 0.00 175.76 175.42 3a7a s SER 118 N -0.67 0.51 0.77 0.00 0.15 0.19 -4.89 113.70 109.76 3a7a s SER 118 Ca 0.55 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.01 3a7a s SER 118 Cb -0.39 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 3a7a s SER 118 CO 0.50 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.53 3a7a n GLY 119 N 2.59 1.64 0.00 9.45 0.00 -1.26 -1.36 105.19 116.26 3a7a n GLY 119 Ca -0.15 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.44 3a7a n GLY 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3a7a n ARG 120 N 5.64 1.77 0.00 1.61 0.63 -1.26 -4.69 116.66 120.37 3a7a n ARG 120 Ca 0.00 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3a7a n ARG 120 Cb 0.00 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 31.67 3a7a n ARG 120 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3a7a n ASN 121 N -1.44 0.40 -4.54 6.15 3.02 -1.22 -5.00 115.26 112.63 3a7a n ASN 121 Ca 0.02 -1.00 -0.27 0.00 -0.03 0.00 0.00 54.58 53.30 3a7a n ASN 121 Cb 0.26 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.33 3a7a n ASN 121 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3a7a s ASP 122 N -0.00 4.07 -0.13 6.41 1.01 -0.46 -1.29 116.67 126.29 3a7a s ASP 122 Ca 0.00 -0.65 -0.00 0.00 0.71 0.00 0.00 52.55 52.61 3a7a s ASP 122 Cb 0.00 -0.62 0.02 0.00 1.01 0.00 0.00 42.92 43.34 3a7a s ASP 122 CO 0.00 0.10 -0.10 -0.76 0.21 0.00 0.00 175.17 174.62 3a7a s LEU 123 N -2.83 1.40 0.27 1.23 1.43 -1.22 -0.64 118.68 118.32 3a7a s LEU 123 Ca 0.24 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 3a7a s LEU 123 Cb -0.08 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 3a7a s LEU 123 CO 0.14 -0.09 -0.11 0.68 0.23 0.00 0.00 176.35 177.20 3a7a s VAL 124 N 1.59 1.89 0.16 -1.59 -7.23 -0.77 -0.74 120.40 113.71 3a7a s VAL 124 Ca 0.04 -2.21 0.06 0.00 -1.81 0.00 0.00 61.98 58.07 3a7a s VAL 124 Cb -0.13 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 3a7a s VAL 124 CO -0.09 -0.39 -0.13 0.68 -0.31 0.00 0.00 175.10 174.86 3a7a s VAL 125 N -2.86 1.43 0.25 1.32 -7.23 -0.31 -1.41 120.40 111.59 3a7a s VAL 125 Ca 0.28 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.24 3a7a s VAL 125 Cb 0.01 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 35.03 3a7a s VAL 125 CO 0.12 -0.59 0.74 -0.54 -0.31 0.00 0.00 175.10 174.51 3a7a s LYS 126 N -3.39 4.21 0.24 4.82 -0.14 -1.26 -2.03 119.74 122.19 3a7a s LYS 126 Ca 0.17 0.85 -0.11 0.00 -1.36 0.00 0.00 55.97 55.51 3a7a s LYS 126 Cb -0.01 -2.76 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 3a7a s LYS 126 CO 0.04 0.33 0.43 0.95 -0.76 0.00 0.00 175.35 176.34 3a7a s THR 127 N -1.65 0.00 0.21 2.17 -4.23 -0.77 -4.95 115.64 106.42 3a7a s THR 127 Ca 0.46 -1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 59.40 3a7a s THR 127 Cb -0.15 -2.25 0.15 0.00 1.34 0.00 0.00 72.50 71.60 3a7a s THR 127 CO 0.20 0.00 1.79 -0.37 -0.54 0.00 0.00 174.62 175.70 3a7a h VAL 128 N 2.30 1.25 -1.93 2.29 -1.51 -2.01 -3.04 116.25 113.61 3a7a h VAL 128 Ca -0.27 -0.76 -0.73 0.00 -1.23 0.00 0.00 66.70 63.71 3a7a h VAL 128 Cb 1.25 0.29 -0.31 0.00 -2.13 0.00 0.00 31.29 30.39 3a7a h VAL 128 CO 0.38 0.32 0.58 -1.84 -1.23 0.00 0.00 177.57 175.77 3a7a n GLU 129 N -4.33 3.23 0.00 5.19 0.28 -1.26 -5.04 120.64 118.71 3a7a n GLU 129 Ca 0.07 -3.93 0.00 0.00 -0.16 0.00 0.00 57.16 53.14 3a7a n GLU 129 Cb 0.16 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 30.74 3a7a n GLU 129 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3a7a n GLY 130 N -0.46 -1.17 3.93 -1.84 0.00 -1.15 -5.01 105.19 99.50 3a7a n GLY 130 Ca 0.49 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 3a7a n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a7a s ASP 131 N -4.00 6.35 -0.06 1.61 1.01 -1.26 -1.85 116.67 118.47 3a7a s ASP 131 Ca 0.00 0.42 -0.02 0.00 0.71 0.00 0.00 52.55 53.66 3a7a s ASP 131 Cb 0.00 -2.02 0.04 0.00 1.01 0.00 0.00 42.92 41.95 3a7a s ASP 131 CO 0.00 -0.16 0.13 -0.13 0.21 0.00 0.00 175.17 175.22 3a7a s ARG 132 N -3.80 0.06 -0.06 8.23 1.81 -0.86 -4.86 118.95 119.48 3a7a s ARG 132 Ca 0.39 0.38 -0.30 0.00 -1.72 0.00 0.00 55.73 54.48 3a7a s ARG 132 Cb -0.10 -0.22 -0.02 0.00 -0.45 0.00 0.00 34.95 34.16 3a7a s ARG 132 CO 0.32 -0.19 1.06 0.21 -0.68 0.00 0.00 175.30 176.01 3a7a s LYS 133 N 1.37 4.44 0.00 3.54 2.20 0.13 -1.17 119.74 130.26 3a7a s LYS 133 Ca -0.07 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 3a7a s LYS 133 Cb -0.12 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3a7a s LYS 133 CO -0.05 -0.28 0.58 1.33 -0.36 0.00 0.00 175.35 176.56 3a7a n VAL 134 N 4.37 0.13 -3.73 4.02 0.24 0.08 -2.05 118.33 121.40 3a7a n VAL 134 Ca 0.09 -0.57 -0.11 0.00 -2.04 0.00 0.00 64.34 61.71 3a7a n VAL 134 Cb 0.48 0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 33.73 3a7a n VAL 134 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3a7a s SER 135 N -0.16 -0.15 -0.08 -1.34 0.15 -1.06 -1.29 113.70 109.77 3a7a s SER 135 Ca 0.00 -0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.37 3a7a s SER 135 Cb 0.00 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.73 3a7a s SER 135 CO 0.00 -0.68 0.20 -0.83 1.20 0.00 0.00 173.24 173.14 3a7a s GLY 136 N -2.26 -0.13 0.11 9.45 0.00 -1.18 -3.37 107.32 109.94 3a7a s GLY 136 Ca -0.03 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.45 3a7a s GLY 136 CO -0.05 0.76 -0.16 -0.56 0.00 0.00 0.00 173.10 173.09 3a7a s SER 137 N 0.57 2.11 0.03 1.64 0.01 -0.41 -1.20 113.70 116.45 3a7a s SER 137 Ca -0.04 -0.73 -0.04 0.00 1.31 0.00 0.00 55.95 56.45 3a7a s SER 137 Cb -0.05 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 3a7a s SER 137 CO -0.03 -0.07 0.07 0.00 0.41 0.00 0.00 173.24 173.62 3a7a s ALA 138 N -1.66 -0.01 0.03 1.44 0.00 -0.82 -4.83 121.76 115.91 3a7a s ALA 138 Ca 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3a7a s ALA 138 Cb -0.08 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3a7a s ALA 138 CO 0.03 -0.29 -0.08 0.71 0.00 0.00 0.00 175.76 176.14 3a7a s TYR 139 N -2.42 0.73 -0.03 0.00 1.51 -1.26 -2.83 117.35 113.04 3a7a s TYR 139 Ca -0.07 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 3a7a s TYR 139 Cb -0.02 -0.44 0.00 0.00 -0.11 0.00 0.00 41.96 41.39 3a7a s TYR 139 CO -0.04 -0.04 -0.11 0.50 -1.11 0.00 0.00 175.55 174.76 3a7a s ARG 140 N -1.11 1.17 -0.01 -0.62 3.52 -1.02 -4.18 118.95 116.70 3a7a s ARG 140 Ca -0.04 -0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.23 3a7a s ARG 140 Cb -0.07 -1.06 -0.01 0.00 -1.56 0.00 0.00 34.95 32.25 3a7a s ARG 140 CO 0.00 0.13 -0.13 -1.21 -0.81 0.00 0.00 175.30 173.29 3a7a s GLU 141 N 0.20 1.07 0.00 5.12 2.02 -1.26 -1.27 118.70 124.58 3a7a s GLU 141 Ca -0.04 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.48 3a7a s GLU 141 Cb -0.10 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.10 3a7a s GLU 141 CO 0.01 0.28 0.00 0.25 0.02 0.00 0.00 175.26 175.82 3a7a n THR 142 N 2.78 0.00 -0.01 3.63 -2.24 -1.15 -4.98 114.28 112.31 3a7a n THR 142 Ca -0.14 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.57 3a7a n THR 142 Cb 0.55 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.66 3a7a n THR 142 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3a7a n LYS 143 N 0.00 0.63 0.00 -0.78 4.81 -1.26 -4.57 118.16 116.99 3a7a n LYS 143 Ca 0.00 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3a7a n LYS 143 Cb 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.25 3a7a n LYS 143 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3a7a n ASP 144 N -3.01 1.40 -2.73 3.14 5.75 -1.26 -4.91 116.55 114.93 3a7a n ASP 144 Ca -0.15 -0.20 -0.09 0.00 -0.01 0.00 0.00 54.79 54.34 3a7a n ASP 144 Cb 1.00 0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 41.75 3a7a n ASP 144 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3a7a n ARG 145 N -0.82 1.66 0.00 0.11 1.74 -1.26 0.95 116.66 119.03 3a7a n ARG 145 Ca 0.00 -1.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.07 3a7a n ARG 145 Cb 0.00 0.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 3a7a n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a7a n GLY 146 N 3.32 2.19 2.94 -0.13 0.00 -1.17 -2.93 105.19 109.42 3a7a n GLY 146 Ca -0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 3a7a n GLY 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3a7a s PHE 147 N -1.10 -0.07 -0.27 1.61 -0.00 -0.40 -2.17 117.98 115.58 3a7a s PHE 147 Ca 0.00 0.17 -0.02 0.00 -0.00 0.00 0.00 56.93 57.08 3a7a s PHE 147 Cb 0.00 0.02 0.04 0.00 -0.00 0.00 0.00 43.02 43.08 3a7a s PHE 147 CO 0.00 -0.04 -0.03 -1.58 -0.00 0.00 0.00 175.22 173.57 3a7a s HIS 148 N 0.02 3.16 0.07 3.49 5.65 0.81 -2.44 115.29 126.05 3a7a s HIS 148 Ca -0.00 -1.69 0.08 0.00 0.25 0.00 0.00 55.06 53.70 3a7a s HIS 148 Cb -0.01 -2.09 -0.03 0.00 -1.18 0.00 0.00 32.58 29.27 3a7a s HIS 148 CO 0.00 -0.76 -0.21 -3.38 -0.65 0.00 0.00 174.74 169.74 3a7a s HIS 149 N 1.30 2.46 0.30 3.88 -3.43 -1.13 0.80 115.29 119.46 3a7a s HIS 149 Ca -0.02 -0.31 -0.05 0.00 -0.80 0.00 0.00 55.06 53.87 3a7a s HIS 149 Cb -0.18 -1.40 0.02 0.00 -1.43 0.00 0.00 32.58 29.59 3a7a s HIS 149 CO -0.03 0.26 0.48 0.41 -2.00 0.00 0.00 174.74 173.87 3a7a n GLY 150 N 1.38 1.89 3.27 -1.38 0.00 0.03 -1.95 105.19 108.43 3a7a n GLY 150 Ca -0.16 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 3a7a n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a7a s THR 151 N -2.58 1.68 -0.18 2.61 -4.23 -0.34 -1.71 115.64 110.88 3a7a s THR 151 Ca 0.20 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 3a7a s THR 151 Cb -0.02 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.35 3a7a s THR 151 CO 0.14 0.06 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.36 3a7a s LEU 152 N -1.56 2.20 -0.92 4.79 1.43 0.70 -3.09 118.68 122.23 3a7a s LEU 152 Ca 0.07 -0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 52.20 3a7a s LEU 152 Cb -0.09 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.78 3a7a s LEU 152 CO 0.03 -0.05 1.37 -0.76 0.23 0.00 0.00 176.35 177.17 3a7a s LEU 153 N 1.32 3.50 0.00 1.79 1.43 -0.41 -1.83 118.68 124.49 3a7a s LEU 153 Ca 0.03 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 3a7a s LEU 153 Cb -0.14 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3a7a s LEU 153 CO -0.11 -1.59 0.00 0.18 0.23 0.00 0.00 176.35 175.06 3a7a n LEU 154 N 8.89 1.74 -2.67 1.79 4.77 -0.80 0.61 117.00 131.34 3a7a n LEU 154 Ca 0.22 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 3a7a n LEU 154 Cb 0.50 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3a7a n LEU 154 CO 0.67 -0.20 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.26 3a7a n ASN 155 N -1.13 2.00 -4.87 -1.43 5.15 -0.98 -2.58 115.26 111.42 3a7a n ASN 155 Ca 0.00 -2.91 -0.31 0.00 -0.60 0.00 0.00 54.58 50.76 3a7a n ASN 155 Cb 0.00 -0.52 -0.00 0.00 -0.53 0.00 0.00 39.78 38.72 3a7a n ASN 155 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a7a s ALA 156 N -3.15 3.13 -0.73 5.20 0.00 -1.23 -4.42 121.76 120.56 3a7a s ALA 156 Ca 0.32 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.95 3a7a s ALA 156 Cb 0.44 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.57 3a7a s ALA 156 CO -0.01 -0.53 1.20 0.34 0.00 0.00 0.00 175.76 176.76 3a7a s ASP 157 N -3.89 6.17 0.43 0.00 -1.08 -1.26 -4.88 116.67 112.16 3a7a s ASP 157 Ca 0.55 -0.61 0.21 0.00 -0.52 0.00 0.00 52.55 52.18 3a7a s ASP 157 Cb -0.11 -2.52 0.97 0.00 -1.46 0.00 0.00 42.92 39.80 3a7a s ASP 157 CO 0.47 -1.73 1.87 -0.07 0.52 0.00 0.00 175.17 176.24 3a7a h LEU 158 N 12.59 0.00 -0.12 -1.34 3.38 -1.98 -1.23 115.31 126.61 3a7a h LEU 158 Ca -0.27 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.48 3a7a h LEU 158 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3a7a h LEU 158 CO 1.26 0.27 -0.99 0.77 0.09 0.00 0.00 178.44 179.83 3a7a h SER 159 N 0.00 0.21 -0.07 -0.43 4.64 -1.98 0.10 113.55 116.02 3a7a h SER 159 Ca -0.00 -0.20 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 3a7a h SER 159 Cb 0.65 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3a7a h SER 159 CO 0.03 1.08 -0.45 0.03 -0.87 0.00 0.00 176.83 176.65 3a7a h ARG 160 N 0.06 0.42 -0.13 4.77 3.08 -1.92 0.21 114.38 120.87 3a7a h ARG 160 Ca -0.05 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 59.66 3a7a h ARG 160 Cb 1.68 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.75 3a7a h ARG 160 CO 0.15 1.01 -0.54 1.25 -1.07 0.00 0.00 179.97 180.76 3a7a h LEU 161 N -0.04 -1.71 -1.18 3.04 6.46 -1.20 -0.77 115.31 119.91 3a7a h LEU 161 Ca -0.04 0.20 0.12 0.00 -0.12 0.00 0.00 57.88 58.04 3a7a h LEU 161 Cb 1.11 0.67 -0.07 0.00 -0.73 0.00 0.00 40.66 41.63 3a7a h LEU 161 CO 0.09 -0.48 0.59 0.00 -0.62 0.00 0.00 178.44 178.02 3a7a h ALA 162 N -0.28 1.67 0.50 1.25 0.00 -0.81 -2.30 119.26 119.30 3a7a h ALA 162 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3a7a h ALA 162 Cb 0.68 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3a7a h ALA 162 CO -0.44 0.12 -0.24 -0.97 0.00 0.00 0.00 179.25 177.72 3a7a h ASN 163 N 0.85 -0.57 0.29 0.00 -1.24 0.23 -2.72 115.58 112.42 3a7a h ASN 163 Ca 0.44 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.42 3a7a h ASN 163 Cb 0.52 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 3a7a h ASN 163 CO -0.21 -0.40 -0.25 1.88 -1.29 0.00 0.00 177.43 177.16 3a7a h TYR 164 N -0.69 0.00 0.00 0.67 0.99 -1.11 -0.85 116.97 115.97 3a7a h TYR 164 Ca -0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.66 3a7a h TYR 164 Cb 0.52 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.25 3a7a h TYR 164 CO 0.11 0.25 0.00 1.28 -0.00 0.00 0.00 178.16 179.80 3a7a n LEU 165 N -4.14 0.00 -4.31 3.88 4.77 -0.87 0.13 117.00 116.46 3a7a n LEU 165 Ca -0.02 0.24 -0.46 0.00 -0.03 0.00 0.00 56.01 55.74 3a7a n LEU 165 Cb 0.31 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3a7a n LEU 165 CO 0.37 -0.01 0.35 0.20 -1.33 0.00 0.00 177.39 176.96 3a7a s ASN 166 N -2.48 6.55 0.81 -1.43 -0.87 -0.32 -4.65 114.94 112.54 3a7a s ASN 166 Ca 0.30 -2.56 -0.10 0.00 -1.57 0.00 0.00 52.86 48.93 3a7a s ASN 166 Cb 0.20 -2.18 0.08 0.00 -0.02 0.00 0.00 41.25 39.32 3a7a s ASN 166 CO 0.42 -0.60 1.10 -2.16 -2.57 0.00 0.00 177.10 173.29 3a7a s PRO 167 N 0.37 1.97 0.91 -0.60 0.04 -1.26 -4.39 135.00 132.04 3a7a s PRO 167 Ca 0.15 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 3a7a s PRO 167 Cb -0.14 -1.86 0.14 0.00 0.04 0.00 0.00 34.50 32.68 3a7a s PRO 167 CO -0.07 -1.86 1.14 -0.51 0.04 0.00 0.00 177.00 175.75 3a7a s ASP 168 N -3.27 2.95 -1.38 6.66 1.01 -1.26 -4.87 116.67 116.51 3a7a s ASP 168 Ca 0.62 2.17 -0.07 0.00 0.71 0.00 0.00 52.55 55.98 3a7a s ASP 168 Cb -0.18 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.21 3a7a s ASP 168 CO 0.56 -3.08 2.68 1.17 0.21 0.00 0.00 175.17 176.71 3a7a n LYS 169 N -4.22 4.08 -2.51 8.23 3.00 -1.26 -4.96 118.16 120.52 3a7a n LYS 169 Ca 0.12 -2.83 -0.34 0.00 -0.00 0.00 0.00 58.31 55.26 3a7a n LYS 169 Cb 0.52 -2.66 -0.03 0.00 0.00 0.00 0.00 35.03 32.85 3a7a n LYS 169 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3a7a s LYS 170 N 0.26 3.81 -0.97 1.64 1.02 -1.26 -4.98 119.74 119.25 3a7a s LYS 170 Ca 0.61 1.29 -0.19 0.00 0.02 0.00 0.00 55.97 57.70 3a7a s LYS 170 Cb 0.19 -2.10 0.12 0.00 -0.52 0.00 0.00 37.83 35.53 3a7a s LYS 170 CO -0.08 -0.42 1.20 0.15 -0.92 0.00 0.00 175.35 175.28 3a7a s LYS 171 N -3.37 3.64 -0.03 1.68 1.02 -1.26 -4.99 119.74 116.42 3a7a s LYS 171 Ca 0.66 -1.74 0.07 0.00 0.02 0.00 0.00 55.97 54.98 3a7a s LYS 171 Cb -0.15 -4.99 -0.02 0.00 -0.52 0.00 0.00 37.83 32.15 3a7a s LYS 171 CO 0.22 -1.83 -0.25 -0.51 -0.92 0.00 0.00 175.35 172.05 3a7a s LEU 172 N 2.92 2.05 -0.29 3.17 1.43 -1.26 -0.80 118.68 125.90 3a7a s LEU 172 Ca 0.35 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 3a7a s LEU 172 Cb -0.04 -1.31 0.07 0.00 0.03 0.00 0.00 46.19 44.94 3a7a s LEU 172 CO -0.09 0.28 -0.05 0.00 0.23 0.00 0.00 176.35 176.72 3a7a s ALA 173 N -0.42 2.67 -0.01 4.21 0.00 -0.28 -4.97 121.76 122.95 3a7a s ALA 173 Ca 0.05 -2.03 0.02 0.00 0.00 0.00 0.00 51.96 50.00 3a7a s ALA 173 Cb -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3a7a s ALA 173 CO 0.01 -1.37 -0.06 0.00 0.00 0.00 0.00 175.76 174.34 3a7a s ALA 174 N 1.04 0.56 1.11 0.00 0.00 -1.26 0.07 121.76 123.28 3a7a s ALA 174 Ca -0.02 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 3a7a s ALA 174 Cb -0.20 -0.19 0.25 0.00 0.00 0.00 0.00 23.12 22.98 3a7a s ALA 174 CO -0.06 0.11 1.18 0.15 0.00 0.00 0.00 175.76 177.13 3a7a s LYS 175 N 0.05 -0.51 0.00 0.00 -0.14 -0.83 -4.99 119.74 113.32 3a7a s LYS 175 Ca -0.00 -0.14 0.00 0.00 -1.36 0.00 0.00 55.97 54.46 3a7a s LYS 175 Cb -0.05 -1.69 0.00 0.00 -1.68 0.00 0.00 37.83 34.41 3a7a s LYS 175 CO -0.00 -3.23 0.00 0.41 -0.76 0.00 0.00 175.35 171.77 3a7a n GLY 176 N -1.87 1.01 3.75 -3.33 0.00 -1.26 -4.73 105.19 98.76 3a7a n GLY 176 Ca 0.13 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 3a7a n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a7a s ILE 177 N -1.46 4.99 0.15 -0.61 -1.09 -0.19 -5.00 121.20 117.98 3a7a s ILE 177 Ca 0.00 1.24 -0.01 0.00 -2.23 0.00 0.00 60.65 59.64 3a7a s ILE 177 Cb 0.00 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 3a7a s ILE 177 CO 0.00 0.37 0.33 0.42 -1.23 0.00 0.00 174.94 174.83 3a7a s THR 178 N 0.17 5.25 0.29 2.92 -4.23 -1.26 -4.55 115.64 114.22 3a7a s THR 178 Ca 0.32 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 3a7a s THR 178 Cb -0.18 -3.68 -0.09 0.00 1.34 0.00 0.00 72.50 69.89 3a7a s THR 178 CO 0.16 -0.03 1.04 -0.44 -0.54 0.00 0.00 174.62 174.81 3a7a s SER 179 N -2.81 7.31 -0.33 3.99 0.01 -1.26 -4.74 113.70 115.86 3a7a s SER 179 Ca 0.38 2.12 -0.15 0.00 1.31 0.00 0.00 55.95 59.62 3a7a s SER 179 Cb -0.12 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 3a7a s SER 179 CO 0.27 -0.10 0.34 -0.69 0.41 0.00 0.00 173.24 173.47 3a7a s VAL 180 N -1.27 5.19 -0.28 3.43 1.01 -1.26 -5.02 120.40 122.21 3a7a s VAL 180 Ca 0.46 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 3a7a s VAL 180 Cb -0.28 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3a7a s VAL 180 CO 0.36 -0.04 0.91 -0.13 0.00 0.00 0.00 175.10 176.20 3a7a s ARG 181 N 1.97 4.10 0.42 2.72 0.52 -1.26 -5.04 118.95 122.39 3a7a s ARG 181 Ca 0.11 0.94 0.07 0.00 -0.52 0.00 0.00 55.73 56.33 3a7a s ARG 181 Cb -0.17 -3.69 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 3a7a s ARG 181 CO 0.11 -0.68 0.19 -1.12 0.02 0.00 0.00 175.30 173.82 3a7a s SER 182 N 1.47 4.42 -0.26 0.23 0.01 -1.26 -5.11 113.70 113.20 3a7a s SER 182 Ca 0.38 -1.12 -0.16 0.00 1.31 0.00 0.00 55.95 56.37 3a7a s SER 182 Cb -0.14 -0.38 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 3a7a s SER 182 CO 0.10 -0.59 0.41 -0.13 0.41 0.00 0.00 173.24 173.45 3a7a s ARG 183 N -3.93 4.05 0.31 12.44 0.52 -1.26 -5.00 118.95 126.08 3a7a s ARG 183 Ca 0.39 0.13 0.06 0.00 -0.52 0.00 0.00 55.73 55.80 3a7a s ARG 183 Cb 0.03 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 3a7a s ARG 183 CO 0.22 -0.27 0.40 0.14 0.02 0.00 0.00 175.30 175.81 3a7a s VAL 184 N 2.05 4.24 0.17 3.52 -7.23 -1.26 0.22 120.40 122.10 3a7a s VAL 184 Ca 0.17 -1.08 -0.16 0.00 -1.81 0.00 0.00 61.98 59.10 3a7a s VAL 184 Cb -0.16 -3.46 0.02 0.00 0.56 0.00 0.00 36.38 33.35 3a7a s VAL 184 CO 0.09 -0.21 0.45 0.28 -0.31 0.00 0.00 175.10 175.41 3a7a s THR 185 N -2.16 0.05 0.10 5.32 -1.32 -0.87 -4.79 115.64 111.97 3a7a s THR 185 Ca 0.41 -0.81 -0.16 0.00 -1.21 0.00 0.00 61.69 59.92 3a7a s THR 185 Cb -0.09 -1.49 -0.07 0.00 -1.51 0.00 0.00 72.50 69.35 3a7a s THR 185 CO 0.30 -0.21 0.54 0.20 -2.21 0.00 0.00 174.62 173.24 3a7a s ASN 186 N -2.87 6.92 0.00 8.08 0.01 -1.26 -4.55 114.94 121.27 3a7a s ASN 186 Ca 0.08 1.14 0.05 0.00 -0.71 0.00 0.00 52.86 53.42 3a7a s ASN 186 Cb 0.01 -2.31 0.27 0.00 0.41 0.00 0.00 41.25 39.63 3a7a s ASN 186 CO -0.05 0.19 0.65 0.18 -1.51 0.00 0.00 177.10 176.56 3a7a n LEU 187 N 1.27 0.00 0.10 0.60 4.77 0.20 -3.19 117.00 120.75 3a7a n LEU 187 Ca -0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.86 3a7a n LEU 187 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3a7a n LEU 187 CO 0.41 0.00 0.29 0.00 -1.33 0.00 0.00 177.39 176.76 3a7a h THR 188 N 0.00 1.43 0.00 -5.08 1.03 -1.75 -1.41 112.91 107.12 3a7a h THR 188 Ca 0.00 -2.88 0.00 0.00 -0.01 0.00 0.00 66.41 63.52 3a7a h THR 188 Cb 0.00 2.62 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 3a7a h THR 188 CO 0.00 0.78 -0.08 -1.84 -0.01 0.00 0.00 175.52 174.38 3a7a n GLU 189 N -3.37 0.16 -0.01 0.00 0.28 -1.19 -2.52 120.64 113.98 3a7a n GLU 189 Ca 0.00 0.12 -0.17 0.00 -0.16 0.00 0.00 57.16 56.96 3a7a n GLU 189 Cb 0.83 -1.67 -0.14 0.00 1.43 0.00 0.00 31.44 31.89 3a7a n GLU 189 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3a7a n LEU 190 N -1.94 1.97 -3.53 -1.84 7.99 -1.15 -4.80 117.00 113.70 3a7a n LEU 190 Ca 0.06 0.28 -0.29 0.00 -0.01 0.00 0.00 56.01 56.04 3a7a n LEU 190 Cb 0.39 -0.63 -0.13 0.00 -0.11 0.00 0.00 43.42 42.95 3a7a n LEU 190 CO 0.30 0.68 -0.31 -0.22 -1.51 0.00 0.00 177.39 176.33 3a7a s LEU 191 N -6.67 1.31 0.38 2.23 0.20 -0.54 -4.96 118.68 110.64 3a7a s LEU 191 Ca -0.16 -2.12 -0.27 0.00 0.69 0.00 0.00 54.13 52.26 3a7a s LEU 191 Cb 0.07 -0.54 -0.11 0.00 -0.43 0.00 0.00 46.19 45.19 3a7a s LEU 191 CO 0.79 -0.32 1.37 -2.65 -0.29 0.00 0.00 176.35 175.25 3a7a n PRO 192 N 4.15 2.30 -1.17 0.98 -0.02 -1.05 -2.67 135.00 137.53 3a7a n PRO 192 Ca 0.08 0.81 -0.06 0.00 -2.02 0.00 0.00 63.50 62.32 3a7a n PRO 192 Cb 0.37 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 3a7a n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a7a n GLY 193 N 0.64 0.81 3.67 -1.23 0.00 -1.26 -4.95 105.19 102.86 3a7a n GLY 193 Ca 0.04 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3a7a n GLY 193 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a7a s ILE 194 N -2.08 3.27 0.50 -0.61 1.10 -1.09 -5.00 121.20 117.29 3a7a s ILE 194 Ca 0.00 0.51 0.08 0.00 -0.51 0.00 0.00 60.65 60.73 3a7a s ILE 194 Cb 0.00 -3.33 0.04 0.00 0.15 0.00 0.00 42.46 39.32 3a7a s ILE 194 CO 0.00 -0.03 0.61 0.42 -2.11 0.00 0.00 174.94 173.83 3a7a s THR 195 N 3.52 2.40 -0.05 4.00 -4.23 -1.26 -4.80 115.64 115.23 3a7a s THR 195 Ca 0.76 -1.12 -0.22 0.00 -1.18 0.00 0.00 61.69 59.92 3a7a s THR 195 Cb -0.37 -2.53 -0.17 0.00 1.34 0.00 0.00 72.50 70.77 3a7a s THR 195 CO 0.33 0.00 0.95 -0.74 -0.54 0.00 0.00 174.62 174.61 3a7a h HIS 196 N 0.53 -0.18 0.00 3.99 2.76 -1.94 -2.79 115.15 117.52 3a7a h HIS 196 Ca -0.36 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.81 3a7a h HIS 196 Cb 1.28 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.30 3a7a h HIS 196 CO 0.51 0.28 -0.00 1.05 -1.30 0.00 0.00 177.93 178.47 3a7a h GLU 197 N -0.81 0.00 0.12 5.26 9.09 -1.98 0.21 114.58 126.47 3a7a h GLU 197 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 3a7a h GLU 197 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 3a7a h GLU 197 CO 0.03 0.00 -0.06 1.96 0.05 0.00 0.00 179.01 181.00 3a7a h GLN 198 N 0.00 -0.15 0.00 1.06 4.20 -1.96 -2.79 115.11 115.47 3a7a h GLN 198 Ca -0.00 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3a7a h GLN 198 Cb 0.01 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3a7a h GLN 198 CO 0.00 0.33 -0.13 0.28 -0.67 0.00 0.00 178.83 178.63 3a7a h VAL 199 N -0.77 0.98 -0.41 -0.54 2.07 -0.96 -2.44 116.25 114.19 3a7a h VAL 199 Ca -0.02 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3a7a h VAL 199 Cb 0.55 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3a7a h VAL 199 CO 0.03 0.13 0.15 0.00 0.02 0.00 0.00 177.57 177.90 3a7a h GLU 201 N 0.51 0.22 -0.07 0.00 4.81 -1.16 -0.12 114.58 118.76 3a7a h GLU 201 Ca 0.13 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3a7a h GLU 201 Cb 0.22 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 3a7a h GLU 201 CO -0.01 0.21 -0.48 0.00 -0.73 0.00 0.00 179.01 178.00 3a7a h ALA 202 N 1.00 -0.86 -0.26 2.92 0.00 -1.38 0.48 119.26 121.15 3a7a h ALA 202 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a7a h ALA 202 Cb 0.05 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3a7a h ALA 202 CO -0.01 -1.03 0.09 0.82 0.00 0.00 0.00 179.25 179.12 3a7a h ILE 203 N -0.55 1.12 -0.35 0.00 2.04 -1.31 -0.55 117.51 117.91 3a7a h ILE 203 Ca 0.02 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 3a7a h ILE 203 Cb 0.61 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3a7a h ILE 203 CO -0.36 0.14 -0.12 0.74 0.00 0.00 0.00 178.15 178.55 3a7a h THR 204 N 0.37 1.28 -0.14 -0.27 2.02 -0.20 -1.99 112.91 113.98 3a7a h THR 204 Ca 0.09 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 3a7a h THR 204 Cb 0.11 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3a7a h THR 204 CO -0.01 0.40 -0.01 -0.33 0.37 0.00 0.00 175.52 175.94 3a7a h GLU 205 N 0.48 0.25 -0.64 6.66 4.39 0.92 0.46 114.58 127.11 3a7a h GLU 205 Ca 0.08 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.70 3a7a h GLU 205 Cb 0.64 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 3a7a h GLU 205 CO 0.04 0.51 0.43 0.00 -1.16 0.00 0.00 179.01 178.82 3a7a h ALA 206 N 0.74 0.82 -0.69 3.43 0.00 -1.21 0.40 119.26 122.75 3a7a h ALA 206 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3a7a h ALA 206 Cb 0.40 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3a7a h ALA 206 CO 0.01 0.24 0.42 0.35 0.00 0.00 0.00 179.25 180.28 3a7a h PHE 207 N 0.87 0.79 -0.45 0.00 3.57 -1.18 -1.15 116.94 119.39 3a7a h PHE 207 Ca 0.24 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 3a7a h PHE 207 Cb -0.10 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 3a7a h PHE 207 CO -0.03 0.45 -0.15 0.74 -2.23 0.00 0.00 178.31 177.08 3a7a h PHE 208 N 0.83 0.96 -0.09 0.41 0.05 -0.15 -3.07 116.94 115.88 3a7a h PHE 208 Ca 0.28 -0.20 -0.01 0.00 3.82 0.00 0.00 57.97 61.86 3a7a h PHE 208 Cb 0.04 -0.24 -0.00 0.00 2.00 0.00 0.00 35.95 37.75 3a7a h PHE 208 CO -0.05 0.95 0.02 0.00 -0.18 0.00 0.00 178.31 179.04 3a7a h ALA 209 N 1.06 0.12 -0.02 2.45 0.00 -0.53 -1.42 119.26 120.92 3a7a h ALA 209 Ca 0.12 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3a7a h ALA 209 Cb 0.67 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3a7a h ALA 209 CO 0.05 -0.23 -0.46 1.25 0.00 0.00 0.00 179.25 179.85 3a7a h HIS 210 N -0.08 -1.34 -0.34 0.00 -0.00 -1.17 -1.59 115.15 110.63 3a7a h HIS 210 Ca 0.03 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3a7a h HIS 210 Cb 0.28 0.59 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 3a7a h HIS 210 CO 0.02 -0.53 0.00 0.66 -0.00 0.00 0.00 177.93 178.08 3a7a n TYR 211 N -5.46 0.74 -4.30 5.26 4.02 -1.17 -4.94 117.16 111.32 3a7a n TYR 211 Ca -0.06 -0.30 -0.38 0.00 -0.01 0.00 0.00 57.90 57.15 3a7a n TYR 211 Cb 0.38 -0.13 -0.04 0.00 -0.02 0.00 0.00 39.34 39.53 3a7a n TYR 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a7a n GLY 212 N 0.78 -0.43 2.52 2.72 0.00 -0.57 -4.92 105.19 105.28 3a7a n GLY 212 Ca 0.13 0.12 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 3a7a n GLY 212 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a7a n GLU 213 N -4.31 0.66 -4.02 1.61 0.28 -1.00 -5.04 120.64 108.82 3a7a n GLU 213 Ca 0.08 -1.75 -0.10 0.00 -0.16 0.00 0.00 57.16 55.23 3a7a n GLU 213 Cb 0.48 1.93 -0.08 0.00 1.43 0.00 0.00 31.44 35.20 3a7a n GLU 213 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3a7a s ARG 214 N -2.29 1.14 -0.28 3.44 0.52 -1.26 -4.59 118.95 115.63 3a7a s ARG 214 Ca 0.15 -1.26 -0.24 0.00 -0.52 0.00 0.00 55.73 53.86 3a7a s ARG 214 Cb -0.02 0.35 0.10 0.00 0.52 0.00 0.00 34.95 35.90 3a7a s ARG 214 CO 0.11 -0.40 0.88 0.14 0.02 0.00 0.00 175.30 176.05 3a7a s VAL 215 N -4.00 0.00 0.25 3.52 -7.23 -1.26 -4.97 120.40 106.71 3a7a s VAL 215 Ca 0.20 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 3a7a s VAL 215 Cb 0.04 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.84 3a7a s VAL 215 CO 0.02 0.00 1.18 -0.62 -0.31 0.00 0.00 175.10 175.37 3a7a n GLU 216 N 2.67 1.53 -2.28 4.82 -0.58 -1.26 -4.85 120.64 120.70 3a7a n GLU 216 Ca -0.14 0.54 -0.39 0.00 -0.42 0.00 0.00 57.16 56.75 3a7a n GLU 216 Cb 0.56 -2.04 -0.02 0.00 -0.57 0.00 0.00 31.44 29.37 3a7a n GLU 216 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3a7a s ALA 217 N -0.56 3.25 -0.24 0.62 0.00 -1.26 -4.70 121.76 118.86 3a7a s ALA 217 Ca 0.65 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 53.55 3a7a s ALA 217 Cb -0.72 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 18.98 3a7a s ALA 217 CO 0.55 -0.51 0.06 -1.21 0.00 0.00 0.00 175.76 174.66 3a7a s GLU 218 N -2.10 3.64 -0.30 0.00 2.02 -0.26 -5.01 118.70 116.69 3a7a s GLU 218 Ca 0.54 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.91 3a7a s GLU 218 Cb -0.33 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 3a7a s GLU 218 CO 0.42 -0.18 0.31 0.42 0.02 0.00 0.00 175.26 176.25 3a7a s ILE 219 N 1.57 5.22 -0.40 -1.63 1.01 -1.26 -1.18 121.20 124.53 3a7a s ILE 219 Ca 0.06 0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.68 3a7a s ILE 219 Cb -0.15 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.64 3a7a s ILE 219 CO 0.03 0.08 0.78 -0.63 0.00 0.00 0.00 174.94 175.20 3a7a s ILE 220 N 1.93 4.70 0.50 2.92 1.01 0.43 -4.98 121.20 127.72 3a7a s ILE 220 Ca 0.11 0.70 -0.23 0.00 0.00 0.00 0.00 60.65 61.23 3a7a s ILE 220 Cb -0.16 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 3a7a s ILE 220 CO 0.11 -0.54 1.26 -0.55 0.00 0.00 0.00 174.94 175.22 3a7a s SER 221 N 1.96 5.77 -0.16 3.58 0.15 -1.26 -2.34 113.70 121.39 3a7a s SER 221 Ca 0.31 2.54 -0.27 0.00 0.70 0.00 0.00 55.95 59.22 3a7a s SER 221 Cb -0.13 -2.62 -0.24 0.00 -1.71 0.00 0.00 66.02 61.32 3a7a s SER 221 CO 0.19 -1.21 0.62 1.55 1.20 0.00 0.00 173.24 175.59 3a7a h PRO 222 N 1.82 0.00 -6.07 5.44 0.13 -1.96 -3.42 132.00 127.94 3a7a h PRO 222 Ca -0.50 -0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 3a7a h PRO 222 Cb 1.27 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.31 3a7a h PRO 222 CO 0.59 1.00 1.54 -0.80 -0.23 0.00 0.00 178.00 180.10 3a7a s ASN 223 N -6.40 6.47 0.00 1.44 0.01 -1.26 -4.79 114.94 110.42 3a7a s ASN 223 Ca -0.22 -1.52 0.00 0.00 -0.71 0.00 0.00 52.86 50.41 3a7a s ASN 223 Cb -0.01 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.08 3a7a s ASN 223 CO 0.67 -1.53 0.00 2.29 -1.51 0.00 0.00 177.10 177.01 3a7a n LYS 224 N 8.84 0.00 -2.34 -0.60 2.85 -1.26 -5.11 118.16 120.54 3a7a n LYS 224 Ca 0.35 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.20 3a7a n LYS 224 Cb 0.50 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.85 3a7a n LYS 224 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3a7a s THR 225 N -1.82 3.50 0.35 0.58 2.01 -1.26 -4.84 115.64 114.16 3a7a s THR 225 Ca 0.00 1.25 -0.28 0.00 0.31 0.00 0.00 61.69 62.97 3a7a s THR 225 Cb 0.00 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.62 3a7a s THR 225 CO 0.00 0.19 1.24 -2.84 -0.69 0.00 0.00 174.62 172.52 3a7a s PRO 226 N -0.17 4.30 0.14 4.92 0.02 -1.26 -4.91 135.00 138.03 3a7a s PRO 226 Ca 0.54 2.05 0.19 0.00 0.02 0.00 0.00 61.00 63.80 3a7a s PRO 226 Cb -0.33 -2.97 0.81 0.00 0.02 0.00 0.00 34.50 32.03 3a7a s PRO 226 CO 0.37 -0.18 1.60 -3.47 -0.33 0.00 0.00 177.00 174.99 3a7a n ASP 227 N 0.64 0.36 -4.46 2.53 2.03 -1.26 -4.81 116.55 111.57 3a7a n ASP 227 Ca 0.01 0.59 -0.49 0.00 0.52 0.00 0.00 54.79 55.42 3a7a n ASP 227 Cb 0.44 -0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 40.14 3a7a n ASP 227 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3a7a n LEU 228 N -1.90 -0.26 -4.78 -2.67 4.32 -1.26 -4.86 117.00 105.59 3a7a n LEU 228 Ca 0.03 1.14 -0.37 0.00 -0.02 0.00 0.00 56.01 56.80 3a7a n LEU 228 Cb 0.20 -1.03 -0.03 0.00 -1.62 0.00 0.00 43.42 40.94 3a7a n LEU 228 CO 0.17 -2.40 0.76 -2.16 -1.22 0.00 0.00 177.39 172.54 3a7a s PRO 229 N -0.91 4.04 0.00 3.23 0.04 -1.26 -3.57 135.00 136.58 3a7a s PRO 229 Ca 0.67 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.29 3a7a s PRO 229 Cb -0.92 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3a7a s PRO 229 CO 0.56 -0.26 0.00 -1.71 0.04 0.00 0.00 177.00 175.63 3a7a n ASN 230 N -0.22 -2.40 0.00 6.66 4.05 -1.26 -4.95 115.26 117.15 3a7a n ASN 230 Ca 0.06 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.09 3a7a n ASN 230 Cb 0.49 -0.93 0.00 0.00 1.23 0.00 0.00 39.78 40.57 3a7a n ASN 230 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 3a7a n PHE 231 N -2.52 0.00 -0.06 1.20 7.35 -1.23 -2.95 117.46 119.25 3a7a n PHE 231 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 3a7a n PHE 231 Cb 0.07 0.00 0.08 0.00 0.35 0.00 0.00 39.48 39.98 3a7a n PHE 231 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3a7a n ALA 232 N -0.93 0.14 -0.08 3.13 0.00 -1.26 0.28 120.51 121.78 3a7a n ALA 232 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 3a7a n ALA 232 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 3a7a n ALA 232 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3a7a h GLU 233 N 0.00 0.42 0.43 0.00 4.81 -1.97 -0.82 114.58 117.44 3a7a h GLU 233 Ca 0.13 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3a7a h GLU 233 Cb 0.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3a7a h GLU 233 CO -0.15 0.60 -0.21 1.15 -0.73 0.00 0.00 179.01 179.67 3a7a h THR 234 N 0.20 0.48 -0.68 0.32 2.02 0.42 -2.19 112.91 113.48 3a7a h THR 234 Ca 0.07 -0.49 0.14 0.00 0.77 0.00 0.00 66.41 66.90 3a7a h THR 234 Cb 0.41 0.68 -0.13 0.00 -1.74 0.00 0.00 68.15 67.37 3a7a h THR 234 CO 0.01 0.07 -0.14 0.15 0.37 0.00 0.00 175.52 175.99 3a7a h PHE 235 N -0.90 -0.31 -0.62 3.16 3.57 -1.46 0.68 116.94 121.07 3a7a h PHE 235 Ca -0.06 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3a7a h PHE 235 Cb 0.56 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 3a7a h PHE 235 CO 0.01 -0.28 0.41 0.00 -2.23 0.00 0.00 178.31 176.22 3a7a h ALA 236 N 1.67 1.68 -0.00 2.41 0.00 -1.11 -0.39 119.26 123.51 3a7a h ALA 236 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3a7a h ALA 236 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3a7a h ALA 236 CO -0.68 0.25 -0.05 -0.09 0.00 0.00 0.00 179.25 178.69 3a7a h ARG 237 N 0.72 0.04 -0.67 0.00 2.43 0.31 -3.08 114.38 114.13 3a7a h ARG 237 Ca 0.25 -0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.55 3a7a h ARG 237 Cb 0.09 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3a7a h ARG 237 CO -0.07 0.76 0.47 0.37 -1.51 0.00 0.00 179.97 179.99 3a7a h GLN 238 N -0.67 0.14 -0.00 0.20 5.75 0.50 0.19 115.11 121.23 3a7a h GLN 238 Ca -0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3a7a h GLN 238 Cb 0.77 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.29 3a7a h GLN 238 CO 0.01 0.09 -0.22 0.43 -2.65 0.00 0.00 178.83 176.50 3a7a n SER 239 N -4.40 0.35 -4.75 -0.69 7.64 -0.19 -4.61 113.62 106.97 3a7a n SER 239 Ca 0.13 -0.12 -0.40 0.00 1.01 0.00 0.00 58.87 59.49 3a7a n SER 239 Cb 0.64 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.70 3a7a n SER 239 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3a7a s SER 240 N -2.83 7.29 0.44 6.43 1.04 0.05 -4.93 113.70 121.19 3a7a s SER 240 Ca 0.18 1.54 0.19 0.00 0.48 0.00 0.00 55.95 58.33 3a7a s SER 240 Cb 0.19 -2.49 1.14 0.00 0.10 0.00 0.00 66.02 64.96 3a7a s SER 240 CO 0.57 0.05 1.90 -0.25 0.98 0.00 0.00 173.24 176.49 3a7a h TRP 241 N 5.33 0.42 -0.95 5.02 7.01 -1.91 0.60 115.95 131.47 3a7a h TRP 241 Ca -0.45 0.01 0.09 0.00 2.11 0.00 0.00 58.89 60.66 3a7a h TRP 241 Cb 1.21 -0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 28.07 3a7a h TRP 241 CO 0.65 0.13 0.61 0.93 -2.79 0.00 0.00 178.44 177.97 3a7a h GLU 242 N 0.33 0.97 0.00 2.65 3.07 -1.91 0.32 114.58 120.01 3a7a h GLU 242 Ca 0.41 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 59.14 3a7a h GLU 242 Cb 1.09 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 3a7a h GLU 242 CO -0.12 0.64 -0.58 2.35 -1.40 0.00 0.00 179.01 179.90 3a7a h TRP 243 N 0.99 0.00 0.02 4.33 2.91 -1.17 -1.44 115.95 121.60 3a7a h TRP 243 Ca 0.43 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.48 3a7a h TRP 243 Cb 0.35 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.96 3a7a h TRP 243 CO -0.00 0.55 -0.20 -0.91 -1.03 0.00 0.00 178.44 176.85 3a7a h ASN 244 N -1.00 -0.57 0.02 2.65 2.35 -1.26 -3.11 115.58 114.66 3a7a h ASN 244 Ca -0.10 0.08 -0.39 0.00 -0.55 0.00 0.00 56.30 55.33 3a7a h ASN 244 Cb 0.71 0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.25 3a7a h ASN 244 CO -0.06 -0.26 -2.38 0.49 -1.65 0.00 0.00 177.43 173.57 3a7a n PHE 245 N -5.32 0.24 -0.31 1.19 3.72 -0.15 -4.55 117.46 112.27 3a7a n PHE 245 Ca -0.05 0.06 -0.04 0.00 -0.05 0.00 0.00 57.45 57.37 3a7a n PHE 245 Cb 0.24 -1.03 0.08 0.00 -0.94 0.00 0.00 39.48 37.83 3a7a n PHE 245 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3a7a h GLY 246 N 1.37 1.17 0.91 1.37 0.00 0.22 -2.75 103.07 105.35 3a7a h GLY 246 Ca -0.56 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.33 3a7a h GLY 246 CO -0.11 0.43 0.00 -1.06 0.00 0.00 0.00 176.54 175.80 3a7a n GLN 247 N -4.51 0.00 -1.68 4.80 1.13 -0.60 -3.08 117.38 113.44 3a7a n GLN 247 Ca 0.09 0.00 -0.50 0.00 -1.94 0.00 0.00 57.00 54.65 3a7a n GLN 247 Cb 0.02 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 28.84 3a7a n GLN 247 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a7a n ALA 248 N -0.95 0.60 -1.48 -1.58 0.00 -1.04 -4.86 120.51 111.21 3a7a n ALA 248 Ca 0.00 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.45 3a7a n ALA 248 Cb 0.00 -2.37 0.09 0.00 0.00 0.00 0.00 19.45 17.17 3a7a n ALA 248 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3a7a n PRO 249 N 5.25 0.74 -1.50 0.00 -0.02 -1.26 -3.97 135.00 134.24 3a7a n PRO 249 Ca 0.22 0.32 -0.54 0.00 -2.02 0.00 0.00 63.50 61.48 3a7a n PRO 249 Cb 0.25 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 3a7a n PRO 249 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a7a n ALA 250 N -2.47 -2.68 -3.09 3.55 0.00 -1.26 -4.61 120.51 109.96 3a7a n ALA 250 Ca 0.15 0.53 -0.10 0.00 0.00 0.00 0.00 53.44 54.02 3a7a n ALA 250 Cb 0.49 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 3a7a n ALA 250 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3a7a s PHE 251 N -0.23 -0.19 0.08 0.00 -0.71 -0.94 -1.96 117.98 114.03 3a7a s PHE 251 Ca 0.81 -0.13 0.09 0.00 -1.04 0.00 0.00 56.93 56.66 3a7a s PHE 251 Cb -1.08 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 40.99 3a7a s PHE 251 CO 0.55 -0.76 -0.22 -1.12 -1.34 0.00 0.00 175.22 172.33 3a7a s SER 252 N -2.82 3.58 -0.12 1.98 0.01 0.11 -0.31 113.70 116.13 3a7a s SER 252 Ca 0.05 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.76 3a7a s SER 252 Cb 0.01 -0.44 0.01 0.00 0.21 0.00 0.00 66.02 65.81 3a7a s SER 252 CO -0.10 0.22 -0.19 -2.28 0.41 0.00 0.00 173.24 171.30 3a7a s HIS 253 N -0.99 2.36 -0.29 2.43 2.46 0.02 -1.13 115.29 120.16 3a7a s HIS 253 Ca 0.15 -1.13 -0.09 0.00 0.47 0.00 0.00 55.06 54.45 3a7a s HIS 253 Cb -0.10 -1.63 -0.02 0.00 -0.13 0.00 0.00 32.58 30.70 3a7a s HIS 253 CO 0.06 -0.53 0.13 -1.17 -2.47 0.00 0.00 174.74 170.75 3a7a s LEU 254 N 0.83 3.88 0.13 8.88 2.96 0.02 -0.89 118.68 134.48 3a7a s LEU 254 Ca -0.08 -0.39 0.11 0.00 -0.22 0.00 0.00 54.13 53.54 3a7a s LEU 254 Cb -0.16 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3a7a s LEU 254 CO -0.00 -0.13 -0.26 -1.48 -1.32 0.00 0.00 176.35 173.16 3a7a s LEU 255 N 1.62 2.32 0.13 -0.68 2.34 -0.19 -4.07 118.68 120.16 3a7a s LEU 255 Ca 0.05 -0.74 -0.07 0.00 0.06 0.00 0.00 54.13 53.43 3a7a s LEU 255 Cb -0.16 -1.16 -0.01 0.00 -0.56 0.00 0.00 46.19 44.29 3a7a s LEU 255 CO 0.06 0.16 0.21 1.51 -1.06 0.00 0.00 176.35 177.22 3a7a s ASP 256 N -2.06 0.13 -0.25 1.48 3.84 -1.26 0.49 116.67 119.04 3a7a s ASP 256 Ca 0.13 -0.89 -0.27 0.00 -0.00 0.00 0.00 52.55 51.52 3a7a s ASP 256 Cb -0.10 0.38 0.15 0.00 -1.38 0.00 0.00 42.92 41.97 3a7a s ASP 256 CO 0.06 -0.81 1.19 -0.70 -0.00 0.00 0.00 175.17 174.91 3a7a s GLU 257 N -3.95 0.33 -0.23 2.11 2.56 -0.36 -4.99 118.70 114.16 3a7a s GLU 257 Ca 0.15 0.21 -0.19 0.00 0.00 0.00 0.00 54.97 55.14 3a7a s GLU 257 Cb 0.05 0.16 -0.03 0.00 2.00 0.00 0.00 34.13 36.31 3a7a s GLU 257 CO -0.03 -0.08 0.55 1.03 -0.56 0.00 0.00 175.26 176.18 3a7a s ARG 258 N -0.51 4.14 -0.09 4.30 1.81 -1.26 -1.52 118.95 125.82 3a7a s ARG 258 Ca 0.04 0.44 0.01 0.00 -1.72 0.00 0.00 55.73 54.50 3a7a s ARG 258 Cb -0.03 -3.61 -0.02 0.00 -0.45 0.00 0.00 34.95 30.84 3a7a s ARG 258 CO -0.06 -0.27 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.11 3a7a s PHE 259 N 2.03 2.82 0.17 -0.53 0.40 0.18 -4.97 117.98 118.08 3a7a s PHE 259 Ca 0.24 -0.31 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 3a7a s PHE 259 Cb -0.16 -1.75 0.34 0.00 0.51 0.00 0.00 43.02 41.96 3a7a s PHE 259 CO 0.09 0.05 1.01 0.25 0.70 0.00 0.00 175.22 177.32 3a7a n THR 260 N 2.85 0.30 0.58 0.64 -2.24 -1.26 0.39 114.28 115.54 3a7a n THR 260 Ca -0.18 0.74 0.11 0.00 -2.27 0.00 0.00 64.05 62.46 3a7a n THR 260 Cb 0.53 -1.74 -0.00 0.00 -2.10 0.00 0.00 70.33 67.01 3a7a n THR 260 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3a7a n TRP 261 N -1.88 0.21 0.00 4.78 4.27 -1.26 -5.06 117.44 118.50 3a7a n TRP 261 Ca -0.00 0.06 0.00 0.00 -3.89 0.00 0.00 57.50 53.67 3a7a n TRP 261 Cb 0.54 -0.39 0.00 0.00 -1.36 0.00 0.00 31.31 30.10 3a7a n TRP 261 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3a7a n GLY 262 N 1.38 -0.47 3.84 -1.67 0.00 1.27 -4.49 105.19 105.05 3a7a n GLY 262 Ca 0.02 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 3a7a n GLY 262 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a7a s GLY 263 N 0.00 2.28 -0.07 -0.02 0.00 -1.26 0.47 107.32 108.71 3a7a s GLY 263 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.28 3a7a s GLY 263 CO 0.00 -0.09 -0.16 0.14 0.00 0.00 0.00 173.10 172.99 3a7a s VAL 264 N -0.84 1.41 -0.03 1.40 1.01 -0.58 -3.16 120.40 119.60 3a7a s VAL 264 Ca 0.18 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3a7a s VAL 264 Cb -0.14 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 3a7a s VAL 264 CO 0.07 0.41 -0.21 -1.61 0.00 0.00 0.00 175.10 173.77 3a7a s GLU 265 N 0.51 1.92 -0.06 2.72 2.02 -0.71 -1.23 118.70 123.87 3a7a s GLU 265 Ca -0.15 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.14 3a7a s GLU 265 Cb -0.16 -1.73 0.01 0.00 0.10 0.00 0.00 34.13 32.35 3a7a s GLU 265 CO 0.05 0.37 -0.15 -0.51 0.02 0.00 0.00 175.26 175.04 3a7a s LEU 266 N -0.24 1.78 -0.16 1.80 1.43 0.18 -2.06 118.68 121.40 3a7a s LEU 266 Ca 0.02 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 3a7a s LEU 266 Cb -0.10 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 3a7a s LEU 266 CO 0.01 0.08 -0.04 -2.28 0.23 0.00 0.00 176.35 174.36 3a7a s HIS 267 N 0.42 3.02 -0.13 0.29 2.46 -0.81 -1.02 115.29 119.52 3a7a s HIS 267 Ca -0.11 -0.33 0.03 0.00 0.47 0.00 0.00 55.06 55.12 3a7a s HIS 267 Cb -0.14 -1.96 0.01 0.00 -0.13 0.00 0.00 32.58 30.35 3a7a s HIS 267 CO 0.04 -0.06 -0.22 -0.06 -2.47 0.00 0.00 174.74 171.97 3a7a s PHE 268 N 0.41 2.57 -0.21 3.88 0.08 -0.07 -1.44 117.98 123.20 3a7a s PHE 268 Ca -0.04 -1.25 -0.18 0.00 0.12 0.00 0.00 56.93 55.57 3a7a s PHE 268 Cb -0.14 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 3a7a s PHE 268 CO 0.03 -0.57 0.51 -0.51 -0.10 0.00 0.00 175.22 174.58 3a7a s ASP 269 N 0.76 6.54 0.02 1.36 1.01 -0.51 -0.80 116.67 125.05 3a7a s ASP 269 Ca -0.09 0.64 0.08 0.00 0.71 0.00 0.00 52.55 53.90 3a7a s ASP 269 Cb -0.16 -2.29 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 3a7a s ASP 269 CO -0.00 -0.19 -0.24 -0.69 0.21 0.00 0.00 175.17 174.25 3a7a s VAL 270 N 1.73 2.27 -0.20 -1.27 1.01 0.58 -0.21 120.40 124.31 3a7a s VAL 270 Ca 0.23 -1.24 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 3a7a s VAL 270 Cb -0.15 -1.87 0.07 0.00 0.00 0.00 0.00 36.38 34.43 3a7a s VAL 270 CO 0.09 0.43 0.46 -0.70 0.00 0.00 0.00 175.10 175.38 3a7a s GLU 271 N -1.07 0.42 -1.69 2.72 2.12 -0.51 -2.22 118.70 118.46 3a7a s GLU 271 Ca 0.12 0.94 -0.14 0.00 0.36 0.00 0.00 54.97 56.25 3a7a s GLU 271 Cb -0.10 0.14 0.13 0.00 0.26 0.00 0.00 34.13 34.56 3a7a s GLU 271 CO 0.02 -0.19 0.54 1.63 -0.54 0.00 0.00 175.26 176.72 3a7a n LYS 272 N 4.66 -2.10 0.00 4.30 4.01 -1.25 -1.15 118.16 126.63 3a7a n LYS 272 Ca -0.18 0.26 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 3a7a n LYS 272 Cb 0.54 -4.64 0.00 0.00 -0.51 0.00 0.00 35.03 30.42 3a7a n LYS 272 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3a7a n GLY 273 N -1.60 2.90 3.81 0.72 0.00 -1.18 -4.89 105.19 104.95 3a7a n GLY 273 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3a7a n GLY 273 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a7a s HIS 274 N -1.81 3.46 -0.26 1.61 3.76 -0.30 -0.86 115.29 120.89 3a7a s HIS 274 Ca 0.00 0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 55.04 3a7a s HIS 274 Cb 0.00 -1.92 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 3a7a s HIS 274 CO 0.00 0.62 1.81 0.42 -0.85 0.00 0.00 174.74 176.74 3a7a s ILE 275 N -0.85 3.46 -0.39 0.60 1.01 0.35 -1.43 121.20 123.95 3a7a s ILE 275 Ca 0.14 0.49 0.23 0.00 0.00 0.00 0.00 60.65 61.50 3a7a s ILE 275 Cb -0.12 -3.55 0.26 0.00 0.01 0.00 0.00 42.46 39.06 3a7a s ILE 275 CO 0.03 -0.31 1.48 0.71 0.00 0.00 0.00 174.94 176.85 3a7a h THR 276 N 6.61 0.02 -1.27 2.92 1.35 -0.92 0.40 112.91 122.02 3a7a h THR 276 Ca -0.35 -1.02 0.17 0.00 -0.55 0.00 0.00 66.41 64.65 3a7a h THR 276 Cb 1.18 1.90 -0.30 0.00 -1.73 0.00 0.00 68.15 69.19 3a7a h THR 276 CO 1.01 0.01 0.58 -0.60 -0.25 0.00 0.00 175.52 176.27 3a7a s ARG 277 N -3.24 0.20 0.09 4.72 3.00 -1.22 -4.66 118.95 117.83 3a7a s ARG 277 Ca 0.05 0.34 0.09 0.00 -1.00 0.00 0.00 55.73 55.21 3a7a s ARG 277 Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 34.95 35.02 3a7a s ARG 277 CO 0.70 -0.04 -0.24 0.00 0.00 0.00 0.00 175.30 175.72 3a7a s ALA 278 N 1.19 2.08 0.11 6.12 0.00 -1.26 -1.42 121.76 128.58 3a7a s ALA 278 Ca -0.08 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.64 3a7a s ALA 278 Cb -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3a7a s ALA 278 CO -0.12 0.46 -0.14 -0.65 0.00 0.00 0.00 175.76 175.31 3a7a s GLN 279 N -1.70 0.98 -0.03 0.00 -0.21 -0.52 -4.61 119.66 113.56 3a7a s GLN 279 Ca 0.10 -1.17 0.05 0.00 0.02 0.00 0.00 55.36 54.36 3a7a s GLN 279 Cb -0.10 -0.90 -0.01 0.00 1.00 0.00 0.00 33.01 33.00 3a7a s GLN 279 CO 0.04 0.18 -0.18 0.14 -2.12 0.00 0.00 175.29 173.35 3a7a s VAL 280 N -1.92 1.43 -0.10 1.09 -7.23 -1.26 -1.92 120.40 110.48 3a7a s VAL 280 Ca 0.06 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 3a7a s VAL 280 Cb -0.06 -1.21 0.02 0.00 0.56 0.00 0.00 36.38 35.69 3a7a s VAL 280 CO 0.03 0.41 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.75 3a7a s PHE 281 N -0.20 1.67 -0.02 2.82 0.08 -0.87 -5.01 117.98 116.43 3a7a s PHE 281 Ca 0.02 -0.78 -0.21 0.00 0.12 0.00 0.00 56.93 56.08 3a7a s PHE 281 Cb -0.09 -1.27 0.04 0.00 -0.57 0.00 0.00 43.02 41.13 3a7a s PHE 281 CO 0.01 -0.46 0.45 -0.08 -0.10 0.00 0.00 175.22 175.03 3a7a s THR 282 N 1.23 0.04 -1.69 0.64 -1.32 -1.26 -1.74 115.64 111.53 3a7a s THR 282 Ca -0.03 -0.31 0.21 0.00 -1.21 0.00 0.00 61.69 60.35 3a7a s THR 282 Cb -0.14 -0.77 0.67 0.00 -1.51 0.00 0.00 72.50 70.75 3a7a s THR 282 CO -0.04 -0.17 1.57 -0.90 -2.21 0.00 0.00 174.62 172.87 3a7a n ASP 283 N 1.09 4.21 -4.69 8.08 5.68 -1.19 -4.99 116.55 124.75 3a7a n ASP 283 Ca -0.20 -2.14 -0.37 0.00 -0.50 0.00 0.00 54.79 51.57 3a7a n ASP 283 Cb 0.57 -0.52 0.06 0.00 -1.14 0.00 0.00 41.12 40.09 3a7a n ASP 283 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3a7a n SER 284 N 1.47 1.69 -0.16 -1.12 2.88 -1.26 -4.85 113.62 112.27 3a7a n SER 284 Ca 0.25 0.84 0.10 0.00 -1.33 0.00 0.00 58.87 58.72 3a7a n SER 284 Cb 0.71 -1.50 0.50 0.00 -0.75 0.00 0.00 64.21 63.17 3a7a n SER 284 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3a7a n LEU 285 N -1.41 0.48 -3.39 2.46 4.32 -1.26 -4.30 117.00 113.90 3a7a n LEU 285 Ca 0.15 -0.20 -0.26 0.00 -0.02 0.00 0.00 56.01 55.67 3a7a n LEU 285 Cb 0.47 -0.03 -0.09 0.00 -1.62 0.00 0.00 43.42 42.15 3a7a n LEU 285 CO 0.49 0.10 -0.28 0.59 -1.22 0.00 0.00 177.39 177.06 3a7a n ASN 286 N -0.47 0.03 0.11 -1.43 4.13 -1.26 -4.95 115.26 111.42 3a7a n ASN 286 Ca 0.15 -2.53 -0.04 0.00 1.68 0.00 0.00 54.58 53.83 3a7a n ASN 286 Cb 0.14 -0.59 0.09 0.00 -1.54 0.00 0.00 39.78 37.88 3a7a n ASN 286 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3a7a h PRO 287 N 5.22 0.08 0.00 3.52 0.11 -1.96 -3.40 132.00 135.58 3a7a h PRO 287 Ca 0.22 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3a7a h PRO 287 Cb 0.88 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3a7a h PRO 287 CO 0.43 0.76 0.00 0.00 -0.21 0.00 0.00 178.00 178.98 3a7a n ALA 288 N -2.43 0.00 -0.07 -0.75 0.00 -1.26 0.07 120.51 116.06 3a7a n ALA 288 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 3a7a n ALA 288 Cb 0.69 0.14 0.17 0.00 0.00 0.00 0.00 19.45 20.46 3a7a n ALA 288 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3a7a h PRO 289 N 0.00 0.71 -0.19 0.00 0.13 -1.99 -1.62 132.00 129.04 3a7a h PRO 289 Ca 0.00 -0.21 -0.13 0.00 -0.87 0.00 0.00 66.00 64.79 3a7a h PRO 289 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3a7a h PRO 289 CO 0.00 0.78 -0.40 -0.07 -0.23 0.00 0.00 178.00 178.08 3a7a h LEU 290 N 0.66 0.69 -1.38 1.56 3.38 -1.03 0.13 115.31 119.32 3a7a h LEU 290 Ca 0.12 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 3a7a h LEU 290 Cb 0.51 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3a7a h LEU 290 CO 0.03 1.11 -0.21 -0.33 0.09 0.00 0.00 178.44 179.13 3a7a h GLU 291 N 0.29 0.15 -0.07 1.13 5.08 -0.30 -1.98 114.58 118.87 3a7a h GLU 291 Ca 0.01 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 3a7a h GLU 291 Cb 1.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3a7a h GLU 291 CO 0.09 0.36 -0.60 0.00 -1.00 0.00 0.00 179.01 177.86 3a7a h ALA 292 N 1.65 0.86 -0.14 3.43 0.00 -0.97 -3.26 119.26 120.83 3a7a h ALA 292 Ca 0.02 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3a7a h ALA 292 Cb 0.45 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a7a h ALA 292 CO 0.03 0.72 -0.00 1.25 0.00 0.00 0.00 179.25 181.25 3a7a h LEU 293 N 0.18 0.25 -1.13 0.00 5.85 -0.02 -2.24 115.31 118.19 3a7a h LEU 293 Ca -0.01 -0.32 0.16 0.00 0.84 0.00 0.00 57.88 58.56 3a7a h LEU 293 Cb 1.10 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.98 3a7a h LEU 293 CO 0.09 0.50 0.61 0.00 -0.34 0.00 0.00 178.44 179.31 3a7a h ALA 294 N 0.75 1.72 0.31 1.25 0.00 -1.47 0.49 119.26 122.30 3a7a h ALA 294 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3a7a h ALA 294 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3a7a h ALA 294 CO 0.01 -0.02 -0.15 0.78 0.00 0.00 0.00 179.25 179.87 3a7a h GLY 295 N 0.78 -0.43 2.00 0.00 0.00 -1.59 -3.18 103.07 100.65 3a7a h GLY 295 Ca 0.51 0.16 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3a7a h GLY 295 CO -0.28 -0.16 0.00 3.21 0.00 0.00 0.00 176.54 179.31 3a7a h ARG 296 N -0.85 0.00 -0.11 4.80 3.08 -0.61 -2.52 114.38 118.16 3a7a h ARG 296 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3a7a h ARG 296 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3a7a h ARG 296 CO 0.07 0.00 0.00 -0.11 -1.07 0.00 0.00 179.97 178.86 3a7a n LEU 297 N -2.67 0.72 -4.78 3.04 0.00 0.16 -4.85 117.00 108.62 3a7a n LEU 297 Ca -0.01 -0.33 -0.36 0.00 0.00 0.00 0.00 56.01 55.30 3a7a n LEU 297 Cb 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 43.42 43.41 3a7a n LEU 297 CO 0.17 0.17 0.74 -1.58 0.00 0.00 0.00 177.39 176.88 3a7a s GLN 298 N -1.86 4.13 0.00 1.96 0.74 -0.95 -3.21 119.66 120.46 3a7a s GLN 298 Ca 0.19 1.52 0.00 0.00 0.05 0.00 0.00 55.36 57.12 3a7a s GLN 298 Cb 0.10 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.69 3a7a s GLN 298 CO 0.15 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.12 3a7a n GLY 299 N 0.32 1.74 3.69 2.59 0.00 0.14 -4.97 105.19 108.70 3a7a n GLY 299 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3a7a n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a7a s LEU 301 N -5.62 4.10 -1.01 0.00 2.96 -1.26 -0.49 118.68 117.36 3a7a s LEU 301 Ca 0.73 0.99 -0.25 0.00 -0.22 0.00 0.00 54.13 55.38 3a7a s LEU 301 Cb -0.29 -3.11 -0.22 0.00 0.50 0.00 0.00 46.19 43.06 3a7a s LEU 301 CO 0.51 -0.44 2.08 0.00 -1.32 0.00 0.00 176.35 177.18 3a7a n TYR 302 N 5.71 0.87 -3.53 5.38 9.36 -0.04 -4.41 117.16 130.51 3a7a n TYR 302 Ca 0.04 -0.14 -0.11 0.00 3.32 0.00 0.00 57.90 61.00 3a7a n TYR 302 Cb 0.48 -2.50 -0.04 0.00 -0.63 0.00 0.00 39.34 36.65 3a7a n TYR 302 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3a7a s ARG 303 N 8.42 0.82 0.12 2.98 3.52 -1.26 -5.01 118.95 128.53 3a7a s ARG 303 Ca 0.79 -0.06 -0.20 0.00 -0.13 0.00 0.00 55.73 56.12 3a7a s ARG 303 Cb -0.06 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 3a7a s ARG 303 CO 0.17 -0.31 1.71 0.00 -0.81 0.00 0.00 175.30 176.07 3a7a h ALA 304 N 2.37 0.13 0.13 6.12 0.00 -1.85 -1.61 119.26 124.55 3a7a h ALA 304 Ca -0.23 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3a7a h ALA 304 Cb 1.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3a7a h ALA 304 CO 0.33 -0.46 -0.07 0.38 0.00 0.00 0.00 179.25 179.43 3a7a h ASP 305 N 0.02 -0.16 -0.36 0.00 3.04 -1.93 0.33 116.42 117.36 3a7a h ASP 305 Ca 0.08 0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.87 3a7a h ASP 305 Cb 0.12 0.04 -0.02 0.00 -1.04 0.00 0.00 39.33 38.44 3a7a h ASP 305 CO -0.16 -0.11 0.18 0.24 -2.04 0.00 0.00 179.24 177.34 3a7a h MET 306 N -0.19 0.52 -0.99 4.15 2.86 -1.81 0.14 114.93 119.61 3a7a h MET 306 Ca -0.02 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 3a7a h MET 306 Cb 0.15 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 3a7a h MET 306 CO 0.03 0.45 0.64 -0.07 1.06 0.00 0.00 176.91 179.01 3a7a h LEU 307 N 0.45 1.00 -0.64 1.22 3.38 -1.09 -0.47 115.31 119.16 3a7a h LEU 307 Ca 0.13 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3a7a h LEU 307 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3a7a h LEU 307 CO -0.02 0.62 -0.45 1.56 0.09 0.00 0.00 178.44 180.25 3a7a h GLN 308 N 1.12 0.00 0.38 1.13 4.20 -0.31 -2.84 115.11 118.79 3a7a h GLN 308 Ca 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.13 3a7a h GLN 308 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3a7a h GLN 308 CO -0.18 0.45 -0.18 1.96 -0.67 0.00 0.00 178.83 180.21 3a7a h GLN 309 N 0.00 -0.49 -0.29 1.46 4.20 0.78 -1.74 115.11 119.03 3a7a h GLN 309 Ca -0.00 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.82 3a7a h GLN 309 Cb 1.07 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 3a7a h GLN 309 CO 0.06 -0.17 0.30 0.93 -0.67 0.00 0.00 178.83 179.27 3a7a h GLU 310 N -0.85 0.00 0.28 1.46 4.39 -1.22 0.32 114.58 118.95 3a7a h GLU 310 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3a7a h GLU 310 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3a7a h GLU 310 CO 0.08 0.00 -0.13 0.00 -1.16 0.00 0.00 179.01 177.80 3a7a h GLU 312 N -1.04 0.67 0.00 0.00 3.07 -0.75 0.75 114.58 117.27 3a7a h GLU 312 Ca -0.04 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3a7a h GLU 312 Cb 0.40 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3a7a h GLU 312 CO 0.06 0.44 0.00 0.00 -1.40 0.00 0.00 179.01 178.11 3a7a n ALA 313 N -2.43 1.86 -0.08 3.43 0.00 0.05 -2.27 120.51 121.07 3a7a n ALA 313 Ca 0.18 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 3a7a n ALA 313 Cb 0.48 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 3a7a n ALA 313 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3a7a n LEU 314 N -1.30 1.84 -0.32 0.00 0.00 0.25 -4.20 117.00 113.26 3a7a n LEU 314 Ca 0.07 0.05 0.10 0.00 0.00 0.00 0.00 56.01 56.24 3a7a n LEU 314 Cb 0.13 -0.44 0.27 0.00 0.00 0.00 0.00 43.42 43.38 3a7a n LEU 314 CO 0.12 0.73 1.13 -0.07 0.00 0.00 0.00 177.39 179.30 3a7a h LEU 315 N 0.02 0.61 -0.00 -1.96 3.38 -0.90 0.22 115.31 116.67 3a7a h LEU 315 Ca -0.50 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3a7a h LEU 315 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3a7a h LEU 315 CO 0.00 0.22 0.00 0.52 0.09 0.00 0.00 178.44 179.28 3a7a n VAL 316 N -4.85 1.75 -0.02 1.22 0.31 -1.20 -1.81 118.33 113.73 3a7a n VAL 316 Ca 0.20 0.44 0.01 0.00 -0.01 0.00 0.00 64.34 64.98 3a7a n VAL 316 Cb 0.51 -1.38 -0.06 0.00 -0.91 0.00 0.00 33.84 32.00 3a7a n VAL 316 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3a7a n ASP 317 N -1.50 3.14 -3.21 4.52 8.00 0.66 -4.81 116.55 123.35 3a7a n ASP 317 Ca 0.01 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.27 3a7a n ASP 317 Cb 0.04 1.06 -0.06 0.00 -0.02 0.00 0.00 41.12 42.14 3a7a n ASP 317 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a7a n PHE 318 N -2.01 1.25 0.22 1.24 3.72 -0.48 -4.95 117.46 116.46 3a7a n PHE 318 Ca -0.06 -3.81 0.06 0.00 -0.05 0.00 0.00 57.45 53.58 3a7a n PHE 318 Cb 0.46 -0.43 0.50 0.00 -0.94 0.00 0.00 39.48 39.06 3a7a n PHE 318 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3a7a h PRO 319 N 3.66 0.00 0.00 -1.08 0.13 -1.76 -2.40 132.00 130.56 3a7a h PRO 319 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a7a h PRO 319 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3a7a h PRO 319 CO 0.60 0.25 0.02 0.39 -0.23 0.00 0.00 178.00 179.03 3a7a n GLU 320 N -4.00 0.09 -2.19 0.86 1.02 -1.26 -1.37 120.64 113.78 3a7a n GLU 320 Ca -0.02 0.58 -0.11 0.00 -0.02 0.00 0.00 57.16 57.60 3a7a n GLU 320 Cb 0.32 -1.81 0.05 0.00 -0.02 0.00 0.00 31.44 29.98 3a7a n GLU 320 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3a7a n GLN 321 N -1.97 2.50 -0.32 3.49 3.00 -0.90 -4.84 117.38 118.33 3a7a n GLN 321 Ca -0.01 -3.71 -0.03 0.00 -0.01 0.00 0.00 57.00 53.24 3a7a n GLN 321 Cb 0.04 -1.83 0.09 0.00 0.00 0.00 0.00 30.24 28.55 3a7a n GLN 321 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3a7a h GLU 322 N 2.18 1.14 0.27 -1.09 4.81 -1.31 -2.42 114.58 118.15 3a7a h GLU 322 Ca 0.11 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3a7a h GLU 322 Cb 1.42 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3a7a h GLU 322 CO 0.44 0.75 -0.30 -0.22 -0.73 0.00 0.00 179.01 178.95 3a7a h LYS 323 N 1.17 -0.59 0.89 1.92 1.63 -1.88 -2.56 116.57 117.15 3a7a h LYS 323 Ca 0.33 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.12 3a7a h LYS 323 Cb -0.11 0.13 0.01 0.00 -0.60 0.00 0.00 32.23 31.66 3a7a h LYS 323 CO -0.08 -0.39 -0.43 0.93 -3.45 0.00 0.00 179.45 176.02 3a7a h GLU 324 N -0.61 -1.16 0.00 1.90 3.07 -1.91 -2.00 114.58 113.88 3a7a h GLU 324 Ca -0.01 0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3a7a h GLU 324 Cb 0.57 0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3a7a h GLU 324 CO -0.07 -0.77 0.22 1.28 -1.40 0.00 0.00 179.01 178.26 3a7a n LEU 325 N -5.25 0.23 -0.03 1.33 4.32 -0.93 0.38 117.00 117.06 3a7a n LEU 325 Ca -0.15 0.49 -0.15 0.00 -0.02 0.00 0.00 56.01 56.18 3a7a n LEU 325 Cb 0.48 -0.47 -0.12 0.00 -1.62 0.00 0.00 43.42 41.69 3a7a n LEU 325 CO 0.36 -0.57 0.37 -0.09 -1.22 0.00 0.00 177.39 176.24 3a7a h ARG 326 N 0.00 0.15 -0.42 3.23 9.65 -0.93 -2.48 114.38 123.59 3a7a h ARG 326 Ca 0.00 -0.18 -0.05 0.00 -1.10 0.00 0.00 59.98 58.65 3a7a h ARG 326 Cb 0.44 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 3a7a h ARG 326 CO 0.00 0.95 0.06 0.93 2.80 0.00 0.00 179.97 184.71 3a7a h GLU 327 N -0.57 0.70 -0.02 0.20 5.08 0.10 -2.10 114.58 117.98 3a7a h GLU 327 Ca -0.03 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3a7a h GLU 327 Cb 1.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3a7a h GLU 327 CO 0.05 0.74 -0.23 1.25 -1.00 0.00 0.00 179.01 179.82 3a7a h LEU 328 N 0.55 -0.73 -0.85 1.33 5.85 -1.04 0.40 115.31 120.83 3a7a h LEU 328 Ca 0.13 0.08 0.19 0.00 0.84 0.00 0.00 57.88 59.12 3a7a h LEU 328 Cb 0.39 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 41.58 3a7a h LEU 328 CO 0.01 -0.22 0.34 -1.28 -0.34 0.00 0.00 178.44 176.95 3a7a h SER 329 N -0.28 0.28 0.10 1.25 0.87 -1.48 0.47 113.55 114.76 3a7a h SER 329 Ca 0.01 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3a7a h SER 329 Cb 0.31 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 3a7a h SER 329 CO -0.16 0.02 -0.20 0.00 -0.53 0.00 0.00 176.83 175.95 3a7a h ALA 330 N 1.66 -0.33 -0.45 6.23 0.00 -0.49 -0.21 119.26 125.66 3a7a h ALA 330 Ca 0.51 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 3a7a h ALA 330 Cb 0.91 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3a7a h ALA 330 CO -0.50 -0.73 0.05 2.35 0.00 0.00 0.00 179.25 180.42 3a7a h TRP 331 N -0.38 0.82 -0.68 0.00 7.01 0.10 -3.18 115.95 119.64 3a7a h TRP 331 Ca 0.03 -0.12 -0.03 0.00 2.11 0.00 0.00 58.89 60.88 3a7a h TRP 331 Cb 0.41 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 3a7a h TRP 331 CO -0.20 0.78 0.30 1.98 -2.79 0.00 0.00 178.44 178.51 3a7a h MET 332 N 0.62 0.98 -0.60 2.65 4.05 0.16 -1.59 114.93 121.21 3a7a h MET 332 Ca 0.13 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 3a7a h MET 332 Cb 0.42 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 3a7a h MET 332 CO 0.01 0.78 0.14 0.00 0.23 0.00 0.00 176.91 178.07 3a7a h ALA 333 N 1.36 0.80 -0.02 0.39 0.00 -1.02 -3.00 119.26 117.77 3a7a h ALA 333 Ca 0.23 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3a7a h ALA 333 Cb 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3a7a h ALA 333 CO -0.03 0.51 -0.90 0.78 0.00 0.00 0.00 179.25 179.62 3a7a h GLY 334 N 0.88 0.45 1.14 0.00 0.00 -1.53 -3.26 103.07 100.75 3a7a h GLY 334 Ca 0.19 -0.75 0.09 0.00 0.00 0.00 0.00 47.33 46.86 3a7a h GLY 334 CO 0.00 0.67 0.35 0.00 0.00 0.00 0.00 176.54 177.56 3a7a h ALA 335 N 0.79 2.08 -0.11 3.60 0.00 -1.15 -0.96 119.26 123.51 3a7a h ALA 335 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3a7a h ALA 335 Cb 1.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3a7a h ALA 335 CO 0.15 -0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.53 3a7a n VAL 336 N -4.46 0.12 1.60 0.00 0.24 -1.20 -5.08 118.33 109.54 3a7a n VAL 336 Ca 0.08 -0.56 0.13 0.00 -2.04 0.00 0.00 64.34 61.95 3a7a n VAL 336 Cb 0.37 1.36 0.76 0.00 -1.47 0.00 0.00 33.84 34.86 3a7a n VAL 336 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55