#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 0.00 -4.06 2.46 5.66 -1.26 -5.10 114.28 111.99 3a7a n THR 2 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 3a7a n THR 2 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 3a7a n THR 2 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3a7a s LEU 3 N -2.98 1.71 0.23 1.09 1.43 -1.26 -3.26 118.68 115.63 3a7a s LEU 3 Ca 0.00 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 3a7a s LEU 3 Cb 0.00 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 3a7a s LEU 3 CO 0.00 -0.05 0.45 -0.60 0.23 0.00 0.00 176.35 176.38 3a7a s ARG 4 N 1.44 3.57 -0.26 1.70 3.52 -0.85 -4.83 118.95 123.24 3a7a s ARG 4 Ca 0.04 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.43 3a7a s ARG 4 Cb -0.13 -2.77 0.15 0.00 -1.56 0.00 0.00 34.95 30.64 3a7a s ARG 4 CO -0.10 0.34 0.42 -1.17 -0.81 0.00 0.00 175.30 173.98 3a7a s LEU 5 N -3.38 -0.81 0.10 -0.88 2.96 -1.26 -2.88 118.68 112.54 3a7a s LEU 5 Ca 0.41 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.54 3a7a s LEU 5 Cb -0.11 1.29 -0.04 0.00 0.50 0.00 0.00 46.19 47.83 3a7a s LEU 5 CO 0.29 -0.31 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.22 3a7a s LEU 6 N 2.60 3.31 -0.05 -0.68 1.02 -0.91 -0.65 118.68 123.31 3a7a s LEU 6 Ca 0.13 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 54.02 3a7a s LEU 6 Cb -0.14 -2.06 0.02 0.00 0.02 0.00 0.00 46.19 44.03 3a7a s LEU 6 CO -0.20 0.17 -0.06 -0.63 0.02 0.00 0.00 176.35 175.64 3a7a s ILE 7 N -1.32 0.69 -0.20 -0.59 -1.09 0.95 -2.58 121.20 117.05 3a7a s ILE 7 Ca 0.25 -0.21 -0.12 0.00 -2.23 0.00 0.00 60.65 58.34 3a7a s ILE 7 Cb -0.11 -0.69 -0.05 0.00 -1.58 0.00 0.00 42.46 40.03 3a7a s ILE 7 CO 0.17 0.26 0.22 -0.55 -1.23 0.00 0.00 174.94 173.81 3a7a s SER 8 N 0.92 6.27 -0.25 3.58 0.15 -1.05 0.01 113.70 123.32 3a7a s SER 8 Ca -0.11 0.30 0.14 0.00 0.70 0.00 0.00 55.95 56.98 3a7a s SER 8 Cb -0.15 -2.14 0.80 0.00 -1.71 0.00 0.00 66.02 62.83 3a7a s SER 8 CO 0.01 0.08 1.75 0.47 1.20 0.00 0.00 173.24 176.75 3a7a n ASP 9 N 3.94 5.55 -4.57 5.45 9.92 -0.65 -4.78 116.55 131.40 3a7a n ASP 9 Ca -0.13 -2.99 -0.33 0.00 -0.53 0.00 0.00 54.79 50.81 3a7a n ASP 9 Cb 0.52 -0.69 -0.11 0.00 -0.64 0.00 0.00 41.12 40.20 3a7a n ASP 9 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3a7a s SER 10 N -0.89 4.56 -0.24 -2.24 0.15 -1.26 -4.34 113.70 109.45 3a7a s SER 10 Ca 0.54 -0.10 0.12 0.00 0.70 0.00 0.00 55.95 57.21 3a7a s SER 10 Cb 0.42 -1.09 0.47 0.00 -1.71 0.00 0.00 66.02 64.11 3a7a s SER 10 CO 0.15 0.33 1.37 -1.22 1.20 0.00 0.00 173.24 175.07 3a7a n TYR 11 N 1.93 0.72 -3.55 3.44 4.01 -1.26 -4.58 117.16 117.87 3a7a n TYR 11 Ca -0.17 -1.37 -0.41 0.00 -0.16 0.00 0.00 57.90 55.79 3a7a n TYR 11 Cb 0.53 -0.37 -0.09 0.00 -0.31 0.00 0.00 39.34 39.09 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 -2.60 5.74 0.48 7.72 3.68 -1.26 -2.48 116.67 127.95 3a7a s ASP 12 Ca 0.41 -1.57 0.17 0.00 2.13 0.00 0.00 52.55 53.69 3a7a s ASP 12 Cb 0.37 -2.03 1.18 0.00 -1.45 0.00 0.00 42.92 41.00 3a7a s ASP 12 CO 0.01 -0.59 2.05 1.55 0.13 0.00 0.00 175.17 178.31 3a7a h PRO 13 N 8.48 0.18 -0.43 4.34 0.13 -1.90 0.39 132.00 143.19 3a7a h PRO 13 Ca -0.24 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3a7a h PRO 13 Cb 1.09 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 3a7a h PRO 13 CO 0.80 0.12 0.26 -1.49 -0.23 0.00 0.00 178.00 177.47 3a7a h TRP 14 N 0.19 0.56 0.65 1.56 6.55 -1.93 0.23 115.95 123.76 3a7a h TRP 14 Ca 0.17 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.98 3a7a h TRP 14 Cb 0.43 -0.19 0.01 0.00 -0.86 0.00 0.00 29.16 28.55 3a7a h TRP 14 CO -0.00 0.39 -0.31 0.35 -1.05 0.00 0.00 178.44 177.81 3a7a h PHE 15 N 0.57 -0.81 -0.63 0.49 3.57 -0.68 -2.34 116.94 117.11 3a7a h PHE 15 Ca 0.15 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3a7a h PHE 15 Cb -0.02 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 3a7a h PHE 15 CO -0.04 -0.49 0.36 -0.91 -2.23 0.00 0.00 178.31 175.00 3a7a h ASN 16 N -0.92 0.54 -0.21 0.41 2.35 -0.97 0.10 115.58 116.87 3a7a h ASN 16 Ca -0.09 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3a7a h ASN 16 Cb 0.69 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3a7a h ASN 16 CO 0.15 0.36 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.20 3a7a h LEU 17 N 0.67 0.48 0.30 1.61 3.38 -0.55 0.22 115.31 121.44 3a7a h LEU 17 Ca 0.27 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3a7a h LEU 17 Cb 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3a7a h LEU 17 CO -0.16 0.57 -0.15 0.00 0.09 0.00 0.00 178.44 178.79 3a7a h ALA 18 N 1.49 -0.41 -0.99 1.53 0.00 -0.95 -1.96 119.26 117.98 3a7a h ALA 18 Ca 0.10 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.06 3a7a h ALA 18 Cb 0.35 0.16 -0.19 0.00 0.00 0.00 0.00 17.79 18.11 3a7a h ALA 18 CO 0.01 -0.47 -0.13 0.28 0.00 0.00 0.00 179.25 178.95 3a7a h VAL 19 N -0.93 0.01 -0.50 0.00 2.07 -0.74 0.24 116.25 116.40 3a7a h VAL 19 Ca -0.04 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3a7a h VAL 19 Cb 0.51 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3a7a h VAL 19 CO 0.07 0.00 0.32 -0.08 0.02 0.00 0.00 177.57 177.90 3a7a h GLU 20 N 0.00 0.64 0.25 1.57 4.81 -0.45 -1.87 114.58 119.52 3a7a h GLU 20 Ca 0.53 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.71 3a7a h GLU 20 Cb 0.94 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3a7a h GLU 20 CO -0.98 0.42 -0.12 1.49 -0.73 0.00 0.00 179.01 179.09 3a7a h GLU 21 N 0.66 -0.33 -0.05 1.92 4.81 0.21 -2.03 114.58 119.77 3a7a h GLU 21 Ca 0.19 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3a7a h GLU 21 Cb -0.06 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 3a7a h GLU 21 CO -0.05 -0.02 -0.44 0.00 -0.73 0.00 0.00 179.01 177.77 3a7a h ILE 23 N -0.57 0.03 -0.78 0.00 1.08 -1.38 0.11 117.51 116.01 3a7a h ILE 23 Ca 0.05 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 3a7a h ILE 23 Cb 0.66 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.40 3a7a h ILE 23 CO -0.35 0.00 0.47 0.15 -0.69 0.00 0.00 178.15 177.72 3a7a h PHE 24 N -0.10 1.02 0.11 1.37 3.57 -0.40 -1.57 116.94 120.94 3a7a h PHE 24 Ca 0.22 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.45 3a7a h PHE 24 Cb 0.53 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.94 3a7a h PHE 24 CO -0.86 0.68 -1.20 -0.09 -2.23 0.00 0.00 178.31 174.61 3a7a h ARG 25 N 1.07 0.36 -0.48 1.11 1.12 0.19 -3.26 114.38 114.48 3a7a h ARG 25 Ca 0.28 -0.54 -0.06 0.00 -1.11 0.00 0.00 59.98 58.55 3a7a h ARG 25 Cb -0.04 0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.07 3a7a h ARG 25 CO -0.05 1.23 0.05 0.00 -3.11 0.00 0.00 179.97 178.09 3a7a n GLN 26 N -3.63 3.74 -2.71 0.20 -0.00 0.26 -4.99 117.38 110.25 3a7a n GLN 26 Ca -0.09 -3.04 -0.41 0.00 -0.00 0.00 0.00 57.00 53.46 3a7a n GLN 26 Cb 0.99 -2.08 -0.04 0.00 -0.00 0.00 0.00 30.24 29.10 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 -2.88 4.70 1.02 2.61 1.75 -0.60 -5.00 119.30 120.90 3a7a s MET 27 Ca 0.50 1.48 -0.13 0.00 -1.25 0.00 0.00 55.69 56.28 3a7a s MET 27 Cb 0.39 -3.36 0.12 0.00 2.84 0.00 0.00 34.83 34.82 3a7a s MET 27 CO 0.12 0.22 0.59 -2.30 -0.65 0.00 0.00 175.02 173.00 3a7a n PRO 28 N 2.66 -0.98 0.00 4.11 -0.02 -1.26 -4.98 135.00 134.54 3a7a n PRO 28 Ca 0.02 -0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.15 3a7a n PRO 28 Cb 0.49 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 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 -1.94 -0.11 -0.47 3.55 0.00 -1.99 -3.25 119.26 115.05 3a7a h ALA 29 Ca -0.49 -0.28 -0.25 0.00 0.00 0.00 0.00 54.91 53.89 3a7a h ALA 29 Cb 1.30 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 3a7a h ALA 29 CO 0.39 -0.18 0.32 0.25 0.00 0.00 0.00 179.25 180.03 3a7a n THR 30 N -4.81 2.14 -4.08 0.00 -2.24 -1.26 -3.84 114.28 100.19 3a7a n THR 30 Ca -0.08 -1.00 -0.36 0.00 -2.27 0.00 0.00 64.05 60.35 3a7a n THR 30 Cb 0.29 -0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 67.62 3a7a n THR 30 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3a7a s GLN 31 N -1.58 3.25 -0.16 -0.78 0.74 -1.23 -4.94 119.66 114.96 3a7a s GLN 31 Ca 0.27 -0.26 -0.00 0.00 0.05 0.00 0.00 55.36 55.42 3a7a s GLN 31 Cb 0.23 -3.02 -0.00 0.00 1.10 0.00 0.00 33.01 31.32 3a7a s GLN 31 CO 0.04 0.74 -0.15 1.03 -0.55 0.00 0.00 175.29 176.41 3a7a s ARG 32 N -1.06 3.22 0.09 1.67 3.00 -1.20 -3.92 118.95 120.74 3a7a s ARG 32 Ca 0.15 -0.74 0.06 0.00 0.00 0.00 0.00 55.73 55.20 3a7a s ARG 32 Cb -0.12 -2.65 -0.04 0.00 0.00 0.00 0.00 34.95 32.14 3a7a s ARG 32 CO 0.05 -0.01 -0.08 0.08 0.00 0.00 0.00 175.30 175.34 3a7a s VAL 33 N 0.87 3.52 -0.13 3.52 1.01 -0.28 -2.00 120.40 126.91 3a7a s VAL 33 Ca -0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 3a7a s VAL 33 Cb -0.15 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3a7a s VAL 33 CO -0.01 0.15 -0.06 -0.22 0.00 0.00 0.00 175.10 174.96 3a7a s LEU 34 N -2.13 1.27 -0.31 3.92 2.96 -1.14 -1.61 118.68 121.63 3a7a s LEU 34 Ca 0.22 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 3a7a s LEU 34 Cb -0.11 -0.82 0.03 0.00 0.50 0.00 0.00 46.19 45.79 3a7a s LEU 34 CO 0.14 -0.15 0.06 0.12 -1.32 0.00 0.00 176.35 175.19 3a7a s PHE 35 N 1.71 3.20 -0.25 5.38 5.36 0.42 -2.14 117.98 131.66 3a7a s PHE 35 Ca 0.03 -1.38 -0.08 0.00 -0.96 0.00 0.00 56.93 54.54 3a7a s PHE 35 Cb -0.14 -2.21 -0.04 0.00 -0.34 0.00 0.00 43.02 40.29 3a7a s PHE 35 CO -0.08 -0.70 0.10 -0.51 -1.46 0.00 0.00 175.22 172.58 3a7a s LEU 36 N 1.40 3.67 0.18 6.12 1.43 -1.07 -0.08 118.68 130.32 3a7a s LEU 36 Ca -0.01 -0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 3a7a s LEU 36 Cb -0.18 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.09 3a7a s LEU 36 CO 0.01 -0.01 0.54 -1.66 0.23 0.00 0.00 176.35 175.46 3a7a s TRP 37 N 1.48 -0.28 0.08 0.29 1.48 -0.69 -2.55 118.94 118.76 3a7a s TRP 37 Ca 0.06 -0.03 -0.14 0.00 -1.06 0.00 0.00 56.10 54.93 3a7a s TRP 37 Cb -0.15 0.45 0.02 0.00 -1.16 0.00 0.00 33.47 32.63 3a7a s TRP 37 CO 0.05 -0.88 0.32 -0.98 -4.06 0.00 0.00 176.95 171.40 3a7a s ARG 38 N -3.82 0.91 0.19 3.25 1.70 -1.26 0.02 118.95 119.94 3a7a s ARG 38 Ca 0.05 -0.67 0.11 0.00 -0.47 0.00 0.00 55.73 54.76 3a7a s ARG 38 Cb -0.01 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 3a7a s ARG 38 CO -0.07 -0.32 -0.24 -0.80 -1.08 0.00 0.00 175.30 172.80 3a7a s ASN 39 N -2.49 3.34 -0.03 -2.89 0.01 -1.26 -4.34 114.94 107.28 3a7a s ASN 39 Ca -0.00 -0.86 -0.04 0.00 -0.71 0.00 0.00 52.86 51.26 3a7a s ASN 39 Cb 0.01 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 3a7a s ASN 39 CO -0.08 0.11 0.17 0.00 -1.51 0.00 0.00 177.10 175.79 3a7a s ALA 40 N -1.67 3.92 -0.00 0.60 0.00 -1.03 -2.85 121.76 120.72 3a7a s ALA 40 Ca 0.20 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 3a7a s ALA 40 Cb -0.08 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.16 3a7a s ALA 40 CO 0.09 0.72 0.00 -0.25 0.00 0.00 0.00 175.76 176.32 3a7a n ASP 41 N 1.19 -0.03 -3.94 0.00 9.92 -1.02 -4.72 116.55 117.96 3a7a n ASP 41 Ca -0.13 -0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.03 3a7a n ASP 41 Cb 0.53 -0.01 -0.10 0.00 -0.64 0.00 0.00 41.12 40.90 3a7a n ASP 41 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3a7a s THR 42 N -0.36 0.10 -0.13 -3.53 2.01 0.07 -1.71 115.64 112.09 3a7a s THR 42 Ca 0.00 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.16 3a7a s THR 42 Cb -0.00 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 72.14 3a7a s THR 42 CO 0.00 -0.47 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.60 3a7a s VAL 43 N -1.54 1.71 -0.30 3.82 1.01 0.10 0.27 120.40 125.47 3a7a s VAL 43 Ca -0.15 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 3a7a s VAL 43 Cb -0.08 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.76 3a7a s VAL 43 CO -0.00 0.48 0.07 -0.69 0.00 0.00 0.00 175.10 174.96 3a7a s VAL 44 N 1.07 3.86 0.08 2.92 1.01 -0.23 -1.25 120.40 127.87 3a7a s VAL 44 Ca -0.03 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3a7a s VAL 44 Cb -0.14 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3a7a s VAL 44 CO -0.05 0.05 0.18 0.27 0.00 0.00 0.00 175.10 175.56 3a7a s ILE 45 N 1.47 5.12 1.03 2.22 -4.36 -1.03 -1.47 121.20 124.19 3a7a s ILE 45 Ca 0.02 -0.56 -0.12 0.00 -0.26 0.00 0.00 60.65 59.73 3a7a s ILE 45 Cb -0.17 -3.51 0.21 0.00 1.25 0.00 0.00 42.46 40.23 3a7a s ILE 45 CO 0.02 0.09 1.08 -0.83 0.24 0.00 0.00 174.94 175.54 3a7a s GLY 46 N -2.60 1.61 0.42 6.27 0.00 -1.15 -1.17 107.32 110.69 3a7a s GLY 46 Ca 0.33 0.12 0.15 0.00 0.00 0.00 0.00 44.72 45.33 3a7a s GLY 46 CO 0.26 0.70 1.91 0.07 0.00 0.00 0.00 173.10 176.04 3a7a h ARG 47 N -2.19 0.00 -0.51 2.90 0.11 -1.03 -2.95 114.38 110.71 3a7a h ARG 47 Ca -0.53 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.54 3a7a h ARG 47 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.38 3a7a h ARG 47 CO 0.48 0.28 0.01 0.00 0.10 0.00 0.00 179.97 180.84 3a7a n ALA 48 N -2.45 3.73 -2.86 0.08 0.00 -1.26 -4.78 120.51 112.97 3a7a n ALA 48 Ca -0.02 -2.04 -0.29 0.00 0.00 0.00 0.00 53.44 51.09 3a7a n ALA 48 Cb 0.34 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.80 3.48 -0.40 0.00 -0.21 -1.11 -1.66 119.66 116.96 3a7a s GLN 49 Ca 0.52 -0.40 -0.14 0.00 0.02 0.00 0.00 55.36 55.36 3a7a s GLN 49 Cb 0.40 -2.95 0.02 0.00 1.00 0.00 0.00 33.01 31.48 3a7a s GLN 49 CO 0.14 0.53 0.28 1.21 -2.12 0.00 0.00 175.29 175.33 3a7a s ASN 50 N -2.79 6.02 0.14 5.90 3.84 -1.26 -4.23 114.94 122.56 3a7a s ASN 50 Ca 0.37 -0.92 -0.16 0.00 0.21 0.00 0.00 52.86 52.36 3a7a s ASN 50 Cb -0.12 -2.13 0.00 0.00 -0.55 0.00 0.00 41.25 38.46 3a7a s ASN 50 CO 0.28 -0.43 1.70 1.55 -2.79 0.00 0.00 177.10 177.40 3a7a h PRO 51 N 8.58 0.60 -0.53 0.43 0.13 -1.91 -1.17 132.00 138.13 3a7a h PRO 51 Ca -0.27 -0.10 0.10 0.00 -0.87 0.00 0.00 66.00 64.87 3a7a h PRO 51 Cb 1.12 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 3a7a h PRO 51 CO 0.71 0.54 0.36 -1.49 -0.23 0.00 0.00 178.00 177.90 3a7a h TRP 52 N 0.52 0.28 0.10 1.56 6.55 -1.94 0.18 115.95 123.20 3a7a h TRP 52 Ca 0.14 0.01 -0.27 0.00 0.95 0.00 0.00 58.89 59.72 3a7a h TRP 52 Cb 0.15 -0.09 0.01 0.00 -0.86 0.00 0.00 29.16 28.37 3a7a h TRP 52 CO -0.01 0.13 -1.17 -0.22 -1.05 0.00 0.00 178.44 176.13 3a7a h LYS 53 N 0.27 0.37 -0.01 0.49 1.63 -1.83 -3.38 116.57 114.11 3a7a h LYS 53 Ca 0.25 -0.53 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3a7a h LYS 53 Cb 0.61 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 3a7a h LYS 53 CO -0.05 1.22 -0.45 0.39 -3.45 0.00 0.00 179.45 177.11 3a7a n GLU 54 N -3.64 0.84 -3.52 1.90 -0.58 0.31 -4.80 120.64 111.14 3a7a n GLU 54 Ca -0.09 -0.61 -0.09 0.00 -0.42 0.00 0.00 57.16 55.95 3a7a n GLU 54 Cb 0.97 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 30.32 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 0.04 3.47 -0.30 0.00 2.85 -0.45 -4.53 115.26 116.34 3a7a n ASN 56 Ca -0.09 -2.78 0.09 0.00 -0.11 0.00 0.00 54.58 51.69 3a7a n ASN 56 Cb 0.61 -1.49 0.25 0.00 1.24 0.00 0.00 39.78 40.38 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 4.60 0.64 0.08 -0.44 1.35 -1.86 -1.72 112.91 115.56 3a7a h THR 57 Ca 0.47 -0.18 0.02 0.00 -0.55 0.00 0.00 66.41 66.16 3a7a h THR 57 Cb 0.71 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.15 3a7a h THR 57 CO 1.79 0.10 -0.22 -0.09 -0.25 0.00 0.00 175.52 176.84 3a7a h ARG 58 N 0.54 -0.38 -0.66 4.72 2.43 -1.86 0.26 114.38 119.42 3a7a h ARG 58 Ca 0.49 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.81 3a7a h ARG 58 Cb 0.79 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 3a7a h ARG 58 CO -0.42 -0.25 0.45 0.00 -1.51 0.00 0.00 179.97 178.23 3a7a h ARG 59 N -0.39 0.40 0.25 0.20 3.08 -1.72 0.12 114.38 116.31 3a7a h ARG 59 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3a7a h ARG 59 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3a7a h ARG 59 CO -0.15 0.26 -0.12 0.52 -1.07 0.00 0.00 179.97 179.41 3a7a h MET 60 N 0.41 -0.32 -0.14 0.04 2.86 -0.66 0.95 114.93 118.07 3a7a h MET 60 Ca 0.32 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.02 3a7a h MET 60 Cb 0.68 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3a7a h MET 60 CO -0.09 0.03 0.16 1.49 1.06 0.00 0.00 176.91 179.56 3a7a h GLU 61 N -0.78 0.00 0.19 1.72 4.81 -0.00 0.16 114.58 120.68 3a7a h GLU 61 Ca -0.03 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.90 3a7a h GLU 61 Cb 0.50 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.91 3a7a h GLU 61 CO 0.06 0.00 -1.37 1.49 -0.73 0.00 0.00 179.01 178.46 3a7a h GLU 62 N 0.00 0.39 -0.78 1.92 4.81 -0.55 -3.32 114.58 117.06 3a7a h GLU 62 Ca 0.06 -0.67 -0.18 0.00 -0.13 0.00 0.00 59.36 58.44 3a7a h GLU 62 Cb 0.38 0.25 -0.11 0.00 0.63 0.00 0.00 28.75 29.90 3a7a h GLU 62 CO -0.00 1.32 0.23 -0.25 -0.73 0.00 0.00 179.01 179.58 3a7a n ASP 63 N -3.83 4.59 -3.94 1.04 8.00 0.31 -4.93 116.55 117.80 3a7a n ASP 63 Ca -0.20 -3.06 -0.42 0.00 0.71 0.00 0.00 54.79 51.83 3a7a n ASP 63 Cb 0.99 -0.72 0.03 0.00 -0.02 0.00 0.00 41.12 41.40 3a7a n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a7a n ASN 64 N -0.04 -4.58 -4.36 -2.24 3.02 -0.45 -4.94 115.26 101.67 3a7a n ASN 64 Ca 0.36 -1.20 -0.36 0.00 -0.03 0.00 0.00 54.58 53.35 3a7a n ASN 64 Cb 1.27 -2.26 -0.13 0.00 -0.61 0.00 0.00 39.78 38.04 3a7a n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a7a s VAL 65 N -3.50 3.71 -0.09 2.41 1.01 0.44 -4.96 120.40 119.42 3a7a s VAL 65 Ca 0.49 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3a7a s VAL 65 Cb -0.24 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3a7a s VAL 65 CO 0.93 0.39 1.31 -0.60 0.00 0.00 0.00 175.10 177.14 3a7a s ARG 66 N 1.52 4.27 -0.25 2.72 3.52 -0.69 -4.51 118.95 125.52 3a7a s ARG 66 Ca 0.06 1.78 -0.16 0.00 -0.13 0.00 0.00 55.73 57.28 3a7a s ARG 66 Cb -0.15 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 3a7a s ARG 66 CO -0.01 -0.61 0.42 -1.17 -0.81 0.00 0.00 175.30 173.12 3a7a s LEU 67 N 2.93 4.06 -0.14 -0.88 2.96 -1.26 -0.72 118.68 125.62 3a7a s LEU 67 Ca 0.59 0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 54.89 3a7a s LEU 67 Cb -0.26 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 43.95 3a7a s LEU 67 CO 0.21 -0.19 -0.10 0.00 -1.32 0.00 0.00 176.35 174.95 3a7a s ALA 68 N 2.00 1.59 0.06 5.97 0.00 -0.38 -4.92 121.76 126.08 3a7a s ALA 68 Ca 0.17 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 3a7a s ALA 68 Cb -0.16 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 3a7a s ALA 68 CO 0.09 -0.49 0.90 0.50 0.00 0.00 0.00 175.76 176.77 3a7a s ARG 69 N 1.60 4.61 0.46 0.00 3.52 -1.26 -2.45 118.95 125.42 3a7a s ARG 69 Ca 0.04 1.32 0.08 0.00 -0.13 0.00 0.00 55.73 57.04 3a7a s ARG 69 Cb -0.13 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3a7a s ARG 69 CO -0.09 0.17 0.62 -0.98 -0.81 0.00 0.00 175.30 174.21 3a7a s ARG 70 N 0.23 2.71 0.00 5.12 1.70 -0.31 -4.93 118.95 123.47 3a7a s ARG 70 Ca 0.45 -1.28 0.24 0.00 -0.47 0.00 0.00 55.73 54.67 3a7a s ARG 70 Cb -0.22 -2.72 0.28 0.00 -0.57 0.00 0.00 34.95 31.72 3a7a s ARG 70 CO 0.27 -0.41 1.26 -1.13 -1.08 0.00 0.00 175.30 174.22 3a7a n SER 71 N -1.95 0.98 -4.71 -2.89 3.41 -1.26 -3.04 113.62 104.15 3a7a n SER 71 Ca 0.09 -0.79 -0.25 0.00 -0.26 0.00 0.00 58.87 57.67 3a7a n SER 71 Cb 0.59 0.46 0.10 0.00 -0.26 0.00 0.00 64.21 65.10 3a7a n SER 71 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3a7a s SER 72 N -2.81 4.45 0.69 4.04 1.04 -1.26 -4.79 113.70 115.05 3a7a s SER 72 Ca 0.14 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3a7a s SER 72 Cb 0.18 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.79 3a7a s SER 72 CO 0.69 -1.80 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3a7a n GLY 73 N -2.92 -0.73 0.00 7.32 0.00 -1.25 -1.10 105.19 106.51 3a7a n GLY 73 Ca 0.12 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.86 0.00 -0.02 0.00 -1.26 -4.58 105.19 100.47 3a7a n GLY 74 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.08 1.32 3.69 -0.02 0.00 -1.26 -3.18 105.19 105.65 3a7a n GLY 75 Ca 0.00 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.50 3.50 0.28 4.61 0.00 -1.26 -2.93 121.76 123.45 3a7a s ALA 76 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.31 3a7a s ALA 76 Cb 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 3a7a s ALA 76 CO 0.00 0.31 -0.10 0.14 0.00 0.00 0.00 175.76 176.11 3a7a s VAL 77 N -0.05 1.87 -0.08 0.00 -7.23 -0.54 -4.97 120.40 109.40 3a7a s VAL 77 Ca 0.07 -2.19 0.02 0.00 -1.81 0.00 0.00 61.98 58.07 3a7a s VAL 77 Cb -0.12 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 3a7a s VAL 77 CO 0.01 -0.35 -0.12 0.12 -0.31 0.00 0.00 175.10 174.45 3a7a s PHE 78 N -2.87 2.80 -0.05 2.82 5.36 -1.26 -1.06 117.98 123.71 3a7a s PHE 78 Ca 0.29 -0.23 0.04 0.00 -0.96 0.00 0.00 56.93 56.07 3a7a s PHE 78 Cb 0.02 -1.71 -0.00 0.00 -0.34 0.00 0.00 43.02 40.98 3a7a s PHE 78 CO 0.12 0.12 -0.17 -1.01 -1.46 0.00 0.00 175.22 172.82 3a7a s HIS 79 N -0.45 1.70 0.09 10.12 3.76 0.14 -4.99 115.29 125.67 3a7a s HIS 79 Ca 0.06 -0.51 -0.10 0.00 -0.15 0.00 0.00 55.06 54.36 3a7a s HIS 79 Cb -0.12 -1.15 0.01 0.00 1.11 0.00 0.00 32.58 32.42 3a7a s HIS 79 CO 0.02 -0.18 0.23 0.16 -0.85 0.00 0.00 174.74 174.12 3a7a s ASP 80 N 0.11 0.05 0.60 1.40 1.47 -1.15 -0.75 116.67 118.40 3a7a s ASP 80 Ca -0.05 -0.57 0.19 0.00 1.18 0.00 0.00 52.55 53.30 3a7a s ASP 80 Cb -0.12 0.36 0.67 0.00 -0.34 0.00 0.00 42.92 43.49 3a7a s ASP 80 CO 0.03 -0.75 1.18 0.18 0.68 0.00 0.00 175.17 176.49 3a7a n LEU 81 N -0.06 0.00 0.06 2.11 4.77 -1.13 0.34 117.00 123.09 3a7a n LEU 81 Ca -0.15 0.67 0.10 0.00 -0.03 0.00 0.00 56.01 56.60 3a7a n LEU 81 Cb 0.62 -0.19 0.41 0.00 -2.33 0.00 0.00 43.42 41.93 3a7a n LEU 81 CO 0.21 -0.67 0.80 0.61 -1.33 0.00 0.00 177.39 177.01 3a7a n GLY 82 N -1.64 -1.17 3.49 -0.72 0.00 -1.26 -4.67 105.19 99.22 3a7a n GLY 82 Ca 0.17 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.61 4.35 -0.14 1.61 3.04 1.06 -1.20 114.94 120.04 3a7a s ASN 83 Ca 0.06 -0.16 -0.03 0.00 0.04 0.00 0.00 52.86 52.78 3a7a s ASN 83 Cb 0.10 -1.30 -0.02 0.00 -1.54 0.00 0.00 41.25 38.48 3a7a s ASN 83 CO 0.34 0.28 -0.06 -0.89 -3.04 0.00 0.00 177.10 173.73 3a7a s THR 84 N -0.30 3.65 -0.04 -5.21 2.01 -0.52 -4.51 115.64 110.72 3a7a s THR 84 Ca 0.03 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 3a7a s THR 84 Cb -0.13 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3a7a s THR 84 CO 0.03 0.51 0.07 0.00 -0.69 0.00 0.00 174.62 174.53 3a7a s PHE 86 N -1.10 0.51 -0.07 0.00 -0.12 -1.09 -1.70 117.98 114.41 3a7a s PHE 86 Ca 0.19 -0.10 0.05 0.00 -0.05 0.00 0.00 56.93 57.03 3a7a s PHE 86 Cb -0.12 -0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 41.75 3a7a s PHE 86 CO 0.10 -0.14 -0.23 0.99 -0.05 0.00 0.00 175.22 175.89 3a7a s THR 87 N 0.85 2.26 -0.29 -4.49 2.01 0.88 -1.12 115.64 115.74 3a7a s THR 87 Ca -0.10 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 60.95 3a7a s THR 87 Cb -0.13 -1.85 0.07 0.00 0.01 0.00 0.00 72.50 70.61 3a7a s THR 87 CO -0.01 0.57 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.08 3a7a s PHE 88 N -0.09 3.42 0.04 4.92 0.08 0.76 -0.44 117.98 126.66 3a7a s PHE 88 Ca -0.05 -2.55 -0.02 0.00 0.12 0.00 0.00 56.93 54.42 3a7a s PHE 88 Cb -0.14 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 3a7a s PHE 88 CO 0.04 -0.90 0.23 -1.64 -0.10 0.00 0.00 175.22 172.85 3a7a s MET 89 N 1.04 3.48 0.03 0.44 -1.94 -0.64 -1.35 119.30 120.36 3a7a s MET 89 Ca -0.02 -0.31 -0.27 0.00 -1.71 0.00 0.00 55.69 53.38 3a7a s MET 89 Cb -0.20 -3.05 0.09 0.00 2.01 0.00 0.00 34.83 33.69 3a7a s MET 89 CO -0.06 0.62 0.78 0.00 -0.01 0.00 0.00 175.02 176.36 3a7a s ALA 90 N -1.43 -1.75 0.43 3.03 0.00 -1.01 -1.13 121.76 119.90 3a7a s ALA 90 Ca 0.32 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.16 3a7a s ALA 90 Cb -0.13 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3a7a s ALA 90 CO 0.22 -0.66 0.69 0.20 0.00 0.00 0.00 175.76 176.21 3a7a s GLY 91 N -2.35 1.45 0.40 0.00 0.00 -1.25 -2.41 107.32 103.15 3a7a s GLY 91 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3a7a s GLY 91 CO -0.08 -0.61 0.62 0.54 0.00 0.00 0.00 173.10 173.57 3a7a s LYS 92 N -4.57 3.31 -0.08 2.90 1.02 1.97 -0.99 119.74 123.30 3a7a s LYS 92 Ca 0.45 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 56.10 3a7a s LYS 92 Cb -0.10 -2.60 0.19 0.00 -0.52 0.00 0.00 37.83 34.81 3a7a s LYS 92 CO 0.41 -0.05 1.00 -0.35 -0.92 0.00 0.00 175.35 175.43 3a7a n PRO 93 N -1.95 1.70 0.09 -1.68 -0.04 -1.26 -4.85 135.00 127.01 3a7a n PRO 93 Ca -0.02 -0.79 -0.04 0.00 -0.04 0.00 0.00 63.50 62.62 3a7a n PRO 93 Cb 0.57 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.69 0.00 -6.25 0.54 4.81 -1.79 -3.46 114.58 109.11 3a7a h GLU 94 Ca 0.07 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.62 3a7a h GLU 94 Cb 1.14 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.55 3a7a h GLU 94 CO 0.19 0.85 0.78 0.98 -0.73 0.00 0.00 179.01 181.08 3a7a n TYR 95 N -3.36 1.95 -3.66 0.92 9.36 -0.16 -4.96 117.16 117.25 3a7a n TYR 95 Ca 0.00 0.45 -0.07 0.00 3.32 0.00 0.00 57.90 61.60 3a7a n TYR 95 Cb 0.86 -2.46 -0.08 0.00 -0.63 0.00 0.00 39.34 37.02 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 2.33 -0.49 0.37 2.98 -1.08 -1.26 -5.00 116.67 114.53 3a7a s ASP 96 Ca 0.91 1.12 0.27 0.00 -0.52 0.00 0.00 52.55 54.32 3a7a s ASP 96 Cb -0.92 1.47 1.30 0.00 -1.46 0.00 0.00 42.92 43.31 3a7a s ASP 96 CO 0.54 -0.23 1.81 0.50 0.52 0.00 0.00 175.17 178.32 3a7a h LYS 97 N 7.97 0.00 -0.25 4.34 3.11 -1.99 -2.39 116.57 127.37 3a7a h LYS 97 Ca -0.19 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.48 3a7a h LYS 97 Cb 1.12 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.35 3a7a h LYS 97 CO 0.14 0.00 -0.52 1.15 -2.81 0.00 0.00 179.45 177.40 3a7a h THR 98 N 0.00 1.30 -0.37 1.00 2.02 -1.99 -2.25 112.91 112.61 3a7a h THR 98 Ca 0.00 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.45 3a7a h THR 98 Cb 0.19 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3a7a h THR 98 CO 0.00 0.55 0.24 0.40 0.37 0.00 0.00 175.52 177.08 3a7a h ILE 99 N 0.56 1.11 0.00 3.11 5.03 -1.85 -1.35 117.51 124.12 3a7a h ILE 99 Ca 0.02 -0.23 -0.10 0.00 -0.12 0.00 0.00 64.86 64.43 3a7a h ILE 99 Cb 1.09 0.59 -0.01 0.00 -3.03 0.00 0.00 36.82 35.46 3a7a h ILE 99 CO 0.11 0.11 -0.48 0.77 -0.68 0.00 0.00 178.15 177.98 3a7a h SER 100 N 0.50 0.00 0.58 1.72 4.64 -1.66 -2.77 113.55 116.55 3a7a h SER 100 Ca 0.14 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3a7a h SER 100 Cb -0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3a7a h SER 100 CO -0.03 0.48 -0.28 0.74 -0.87 0.00 0.00 176.83 176.88 3a7a h THR 101 N 0.00 0.13 -0.24 2.95 2.02 -0.95 -2.60 112.91 114.21 3a7a h THR 101 Ca -0.00 -0.42 0.07 0.00 0.77 0.00 0.00 66.41 66.82 3a7a h THR 101 Cb 1.00 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3a7a h THR 101 CO 0.06 0.02 0.20 0.77 0.37 0.00 0.00 175.52 176.94 3a7a h SER 102 N -1.15 0.00 0.29 4.18 4.64 -1.33 0.59 113.55 120.78 3a7a h SER 102 Ca -0.08 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 3a7a h SER 102 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3a7a h SER 102 CO 0.13 0.00 -0.27 0.40 -0.87 0.00 0.00 176.83 176.22 3a7a h ILE 103 N 0.00 1.14 0.01 0.95 2.04 -1.37 0.14 117.51 120.43 3a7a h ILE 103 Ca 0.12 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3a7a h ILE 103 Cb 0.51 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3a7a h ILE 103 CO -0.00 0.26 -0.01 0.58 0.00 0.00 0.00 178.15 178.98 3a7a h VAL 104 N 0.00 1.38 -0.80 1.67 2.07 0.49 -2.56 116.25 118.49 3a7a h VAL 104 Ca -0.00 -1.93 0.18 0.00 0.82 0.00 0.00 66.70 65.76 3a7a h VAL 104 Cb 0.49 2.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 3a7a h VAL 104 CO 0.03 0.45 0.54 -0.07 0.02 0.00 0.00 177.57 178.54 3a7a h LEU 105 N -0.95 0.34 0.00 2.57 3.38 -0.84 0.14 115.31 119.94 3a7a h LEU 105 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a7a h LEU 105 Cb 0.75 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3a7a h LEU 105 CO 0.00 0.16 -0.60 0.78 0.09 0.00 0.00 178.44 178.88 3a7a h ASN 106 N 0.36 0.00 0.49 -0.43 -0.26 -0.81 -1.45 115.58 113.47 3a7a h ASN 106 Ca 0.40 -0.04 -0.28 0.00 -0.56 0.00 0.00 56.30 55.83 3a7a h ASN 106 Cb 1.03 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.30 3a7a h ASN 106 CO -0.12 0.02 -1.22 0.00 -1.06 0.00 0.00 177.43 175.05 3a7a h ALA 107 N 2.12 0.10 0.27 -0.83 0.00 -0.57 -2.78 119.26 117.56 3a7a h ALA 107 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 3a7a h ALA 107 Cb 0.94 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3a7a h ALA 107 CO 0.00 0.88 -0.13 -0.07 0.00 0.00 0.00 179.25 179.93 3a7a h LEU 108 N 0.13 -0.30 -2.53 0.00 3.38 -0.83 -2.22 115.31 112.94 3a7a h LEU 108 Ca -0.15 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3a7a h LEU 108 Cb 1.92 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 3a7a h LEU 108 CO 0.21 0.06 0.00 -1.13 0.09 0.00 0.00 178.44 177.67 3a7a h ASN 109 N -0.70 0.00 0.92 -0.43 -1.24 -0.90 0.34 115.58 113.58 3a7a h ASN 109 Ca -0.04 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.82 3a7a h ASN 109 Cb 0.48 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 3a7a h ASN 109 CO 0.06 0.00 -0.75 0.00 -1.29 0.00 0.00 177.43 175.45 3a7a h ALA 110 N 1.99 0.66 -0.04 1.57 0.00 -1.39 -2.38 119.26 119.67 3a7a h ALA 110 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3a7a h ALA 110 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3a7a h ALA 110 CO -0.00 0.94 0.00 1.28 0.00 0.00 0.00 179.25 181.47 3a7a n LEU 111 N -3.50 0.29 -1.50 0.00 4.77 0.11 -4.89 117.00 112.28 3a7a n LEU 111 Ca -0.00 -0.13 -0.03 0.00 -0.03 0.00 0.00 56.01 55.81 3a7a n LEU 111 Cb 0.77 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.85 3a7a n LEU 111 CO 0.44 0.07 0.02 0.61 -1.33 0.00 0.00 177.39 177.19 3a7a n GLY 112 N 0.74 0.29 2.95 -0.72 0.00 -0.80 -5.06 105.19 102.59 3a7a n GLY 112 Ca 0.09 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.07 -0.38 0.31 1.61 1.01 -0.85 -4.97 120.40 114.05 3a7a s VAL 113 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 3a7a s VAL 113 Cb -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.84 3a7a s VAL 113 CO 0.15 0.09 0.93 -0.55 0.00 0.00 0.00 175.10 175.71 3a7a s SER 114 N 2.39 7.36 -0.30 3.32 0.15 -1.26 -2.40 113.70 122.95 3a7a s SER 114 Ca 0.02 1.82 -0.10 0.00 0.70 0.00 0.00 55.95 58.40 3a7a s SER 114 Cb -0.12 -2.57 0.19 0.00 -1.71 0.00 0.00 66.02 61.80 3a7a s SER 114 CO -0.08 -0.03 1.02 0.00 1.20 0.00 0.00 173.24 175.34 3a7a s ALA 115 N -1.56 -3.98 0.90 5.45 0.00 -1.26 -4.72 121.76 116.58 3a7a s ALA 115 Ca 0.49 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.65 3a7a s ALA 115 Cb -0.19 -2.84 0.13 0.00 0.00 0.00 0.00 23.12 20.22 3a7a s ALA 115 CO 0.25 -2.12 1.14 -1.83 0.00 0.00 0.00 175.76 173.19 3a7a s GLU 116 N 2.85 1.25 0.36 0.00 -1.05 -1.08 -4.76 118.70 116.27 3a7a s GLU 116 Ca 0.26 0.28 -0.00 0.00 -0.15 0.00 0.00 54.97 55.36 3a7a s GLU 116 Cb -0.02 -1.85 -0.03 0.00 -0.44 0.00 0.00 34.13 31.79 3a7a s GLU 116 CO -0.22 -2.12 0.57 0.00 0.95 0.00 0.00 175.26 174.43 3a7a s ALA 117 N -3.31 3.67 0.02 -0.84 0.00 -1.26 -0.75 121.76 119.30 3a7a s ALA 117 Ca 0.64 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 3a7a s ALA 117 Cb -0.14 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 3a7a s ALA 117 CO 0.53 -0.04 0.10 -1.54 0.00 0.00 0.00 175.76 174.81 3a7a s SER 118 N -4.02 0.12 0.54 0.00 1.04 0.25 -4.78 113.70 106.85 3a7a s SER 118 Ca 0.41 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.45 3a7a s SER 118 Cb -0.10 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3a7a s SER 118 CO 0.37 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.77 3a7a n GLY 119 N 1.17 2.03 0.08 7.32 0.00 -1.26 -2.00 105.19 112.54 3a7a n GLY 119 Ca -0.21 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 3a7a n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a7a n ARG 120 N 12.22 1.20 -0.08 1.61 1.74 -1.26 -4.70 116.66 127.39 3a7a n ARG 120 Ca 0.00 0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 3a7a n ARG 120 Cb 0.00 -1.42 0.11 0.00 -1.02 0.00 0.00 32.46 30.12 3a7a n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a7a n ASN 121 N -2.68 2.40 -4.19 0.55 4.13 -1.25 -4.97 115.26 109.25 3a7a n ASN 121 Ca -0.28 -2.70 -0.27 0.00 1.68 0.00 0.00 54.58 53.00 3a7a n ASN 121 Cb 1.02 -0.30 -0.16 0.00 -1.54 0.00 0.00 39.78 38.80 3a7a n ASN 121 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3a7a s ASP 122 N -2.15 2.34 -0.20 6.41 1.01 -0.85 -1.74 116.67 121.51 3a7a s ASP 122 Ca 0.23 -0.37 -0.02 0.00 0.71 0.00 0.00 52.55 53.10 3a7a s ASP 122 Cb 0.19 -0.43 0.00 0.00 1.01 0.00 0.00 42.92 43.70 3a7a s ASP 122 CO 0.03 0.21 -0.11 -0.76 0.21 0.00 0.00 175.17 174.76 3a7a s LEU 123 N -0.27 2.61 0.37 1.23 1.43 -1.07 0.86 118.68 123.84 3a7a s LEU 123 Ca 0.03 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3a7a s LEU 123 Cb -0.10 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 3a7a s LEU 123 CO 0.01 0.01 0.09 0.68 0.23 0.00 0.00 176.35 177.37 3a7a s VAL 124 N 1.29 2.55 0.23 -1.59 -7.23 0.07 -1.52 120.40 114.21 3a7a s VAL 124 Ca 0.04 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 3a7a s VAL 124 Cb -0.14 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 3a7a s VAL 124 CO -0.06 -0.12 0.08 1.33 -0.31 0.00 0.00 175.10 176.03 3a7a n VAL 125 N -1.09 0.00 -5.00 1.32 0.24 -0.72 -2.62 118.33 110.46 3a7a n VAL 125 Ca -0.03 -1.31 -0.32 0.00 -2.04 0.00 0.00 64.34 60.64 3a7a n VAL 125 Cb 0.63 0.46 -0.17 0.00 -1.47 0.00 0.00 33.84 33.30 3a7a n VAL 125 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3a7a s LYS 126 N -2.86 3.07 0.33 7.34 -0.14 -1.26 -3.34 119.74 122.88 3a7a s LYS 126 Ca 0.11 -0.85 0.04 0.00 -1.36 0.00 0.00 55.97 53.91 3a7a s LYS 126 Cb 0.01 -2.38 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 3a7a s LYS 126 CO 0.08 0.12 0.18 0.95 -0.76 0.00 0.00 175.35 175.92 3a7a s THR 127 N 0.50 0.28 0.38 2.17 -4.23 -0.52 -5.01 115.64 109.21 3a7a s THR 127 Ca -0.14 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.66 3a7a s THR 127 Cb -0.17 -2.48 0.32 0.00 1.34 0.00 0.00 72.50 71.51 3a7a s THR 127 CO 0.05 0.00 2.07 -0.37 -0.54 0.00 0.00 174.62 175.84 3a7a h VAL 128 N 2.13 0.44 0.00 2.29 -1.51 -2.02 -2.94 116.25 114.63 3a7a h VAL 128 Ca -0.32 -0.52 -0.20 0.00 -1.23 0.00 0.00 66.70 64.43 3a7a h VAL 128 Cb 1.25 1.36 -0.04 0.00 -2.13 0.00 0.00 31.29 31.74 3a7a h VAL 128 CO 0.49 0.10 -1.52 1.21 -1.23 0.00 0.00 177.57 176.62 3a7a n GLU 129 N -3.49 0.62 0.00 5.19 4.07 -1.26 -5.07 120.64 120.70 3a7a n GLU 129 Ca -0.01 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 3a7a n GLU 129 Cb 0.24 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 29.83 3a7a n GLU 129 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a7a n GLY 130 N 1.44 -0.19 3.41 8.31 0.00 -1.11 -5.10 105.19 111.95 3a7a n GLY 130 Ca -0.12 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 3.58 -0.01 1.61 1.01 -1.26 -1.44 116.67 116.16 3a7a s ASP 131 Ca 0.00 -0.36 0.02 0.00 0.71 0.00 0.00 52.55 52.92 3a7a s ASP 131 Cb 0.00 -0.59 0.00 0.00 1.01 0.00 0.00 42.92 43.34 3a7a s ASP 131 CO 0.00 0.31 -0.07 -0.13 0.21 0.00 0.00 175.17 175.50 3a7a s ARG 132 N -0.85 0.64 0.12 8.23 1.81 -1.21 -4.84 118.95 122.85 3a7a s ARG 132 Ca 0.12 -0.23 -0.30 0.00 -1.72 0.00 0.00 55.73 53.60 3a7a s ARG 132 Cb -0.10 -0.63 -0.07 0.00 -0.45 0.00 0.00 34.95 33.71 3a7a s ARG 132 CO 0.01 0.11 1.14 0.21 -0.68 0.00 0.00 175.30 176.08 3a7a s LYS 133 N 0.05 4.52 0.00 3.54 2.20 0.65 -1.76 119.74 128.95 3a7a s LYS 133 Ca -0.00 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 3a7a s LYS 133 Cb -0.05 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 3a7a s LYS 133 CO -0.00 -0.07 0.00 1.33 -0.36 0.00 0.00 175.35 176.25 3a7a n VAL 134 N 3.07 0.00 -3.78 4.02 0.24 -0.57 -1.81 118.33 119.50 3a7a n VAL 134 Ca 0.05 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 3a7a n VAL 134 Cb 0.46 0.80 -0.12 0.00 -1.47 0.00 0.00 33.84 33.52 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 -1.22 -0.26 0.04 -1.34 0.15 -1.18 -1.28 113.70 108.61 3a7a s SER 135 Ca 0.00 0.50 0.08 0.00 0.70 0.00 0.00 55.95 57.23 3a7a s SER 135 Cb 0.00 0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 3a7a s SER 135 CO 0.00 -0.09 -0.23 -0.83 1.20 0.00 0.00 173.24 173.29 3a7a s GLY 136 N 0.22 1.22 0.05 9.45 0.00 -1.26 -2.59 107.32 114.41 3a7a s GLY 136 Ca -0.01 -1.13 0.05 0.00 0.00 0.00 0.00 44.72 43.63 3a7a s GLY 136 CO -0.00 -1.02 -0.13 -0.56 0.00 0.00 0.00 173.10 171.38 3a7a s SER 137 N -1.11 1.59 0.05 1.64 0.01 -0.71 -0.81 113.70 114.35 3a7a s SER 137 Ca 0.09 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 56.89 3a7a s SER 137 Cb -0.09 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 3a7a s SER 137 CO 0.02 -0.01 -0.10 0.00 0.41 0.00 0.00 173.24 173.56 3a7a s ALA 138 N -0.97 0.74 0.00 1.44 0.00 -0.51 -4.78 121.76 117.68 3a7a s ALA 138 Ca -0.00 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.20 3a7a s ALA 138 Cb -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3a7a s ALA 138 CO 0.01 0.04 -0.17 0.71 0.00 0.00 0.00 175.76 176.35 3a7a s TYR 139 N -1.30 1.55 -0.05 0.00 1.51 -1.26 -2.32 117.35 115.47 3a7a s TYR 139 Ca -0.07 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 3a7a s TYR 139 Cb -0.10 -0.98 0.00 0.00 -0.11 0.00 0.00 41.96 40.78 3a7a s TYR 139 CO 0.01 0.00 -0.16 0.50 -1.11 0.00 0.00 175.55 174.79 3a7a s ARG 140 N -0.61 1.75 0.06 -0.62 6.06 -0.66 -3.83 118.95 121.09 3a7a s ARG 140 Ca 0.06 -0.56 0.04 0.00 -2.50 0.00 0.00 55.73 52.78 3a7a s ARG 140 Cb -0.07 -1.50 -0.03 0.00 0.06 0.00 0.00 34.95 33.41 3a7a s ARG 140 CO -0.00 0.19 -0.13 -1.21 -2.50 0.00 0.00 175.30 171.66 3a7a s GLU 141 N 0.16 0.76 0.00 5.12 2.02 -1.26 -0.19 118.70 125.31 3a7a s GLU 141 Ca -0.06 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.04 3a7a s GLU 141 Cb -0.12 -0.71 0.00 0.00 0.10 0.00 0.00 34.13 33.39 3a7a s GLU 141 CO 0.03 0.16 0.00 0.25 0.02 0.00 0.00 175.26 175.71 3a7a n THR 142 N 1.38 0.00 -0.04 3.63 -2.24 -0.68 -4.95 114.28 111.38 3a7a n THR 142 Ca -0.21 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3a7a n THR 142 Cb 0.54 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.62 3a7a n THR 142 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3a7a n LYS 143 N 0.00 0.67 0.00 -0.78 4.76 -1.26 -4.66 118.16 116.88 3a7a n LYS 143 Ca 0.00 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 3a7a n LYS 143 Cb 0.00 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 3a7a n LYS 143 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3a7a n ASP 144 N -2.59 2.55 -4.27 4.39 5.75 -1.26 -4.86 116.55 116.27 3a7a n ASP 144 Ca -0.18 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.35 3a7a n ASP 144 Cb 0.88 0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 41.35 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 -0.95 0.91 0.00 0.11 1.74 -1.26 0.52 116.66 117.73 3a7a n ARG 145 Ca 0.00 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 54.11 3a7a n ARG 145 Cb 0.09 0.60 0.00 0.00 -1.02 0.00 0.00 32.46 32.14 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 -0.20 2.55 3.31 -0.13 0.00 -1.01 -1.68 105.19 108.02 3a7a n GLY 146 Ca -0.11 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.12 1.81 -0.23 1.61 -0.71 0.73 -2.40 117.98 117.67 3a7a s PHE 147 Ca 0.00 -0.44 0.02 0.00 -1.04 0.00 0.00 56.93 55.47 3a7a s PHE 147 Cb 0.00 -0.96 0.05 0.00 -1.21 0.00 0.00 43.02 40.91 3a7a s PHE 147 CO 0.00 0.26 -0.09 -1.58 -1.34 0.00 0.00 175.22 172.47 3a7a s HIS 148 N -1.51 2.75 -0.03 3.49 2.46 -0.46 -1.65 115.29 120.33 3a7a s HIS 148 Ca 0.10 -1.93 0.07 0.00 0.47 0.00 0.00 55.06 53.77 3a7a s HIS 148 Cb -0.08 -1.74 -0.02 0.00 -0.13 0.00 0.00 32.58 30.61 3a7a s HIS 148 CO 0.05 -0.81 -0.23 -3.38 -2.47 0.00 0.00 174.74 167.90 3a7a s HIS 149 N 1.28 2.09 0.00 3.88 -3.43 -0.98 -0.17 115.29 117.96 3a7a s HIS 149 Ca -0.06 -0.45 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 3a7a s HIS 149 Cb -0.18 -1.36 0.00 0.00 -1.43 0.00 0.00 32.58 29.61 3a7a s HIS 149 CO -0.06 -0.08 0.00 0.41 -2.00 0.00 0.00 174.74 173.01 3a7a n GLY 150 N 2.65 4.30 3.36 -1.38 0.00 -0.28 -1.43 105.19 112.41 3a7a n GLY 150 Ca -0.16 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.72 1.22 -0.09 2.61 -4.23 0.01 -2.68 115.64 110.76 3a7a s THR 151 Ca 0.00 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 3a7a s THR 151 Cb 0.00 -2.35 0.05 0.00 1.34 0.00 0.00 72.50 71.53 3a7a s THR 151 CO 0.00 -0.34 0.19 -0.76 -0.54 0.00 0.00 174.62 173.17 3a7a s LEU 152 N -3.34 0.25 -0.57 4.79 1.43 -0.20 -4.01 118.68 117.03 3a7a s LEU 152 Ca 0.28 0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 53.57 3a7a s LEU 152 Cb 0.05 0.46 0.07 0.00 0.03 0.00 0.00 46.19 46.80 3a7a s LEU 152 CO 0.09 -0.20 0.78 -0.76 0.23 0.00 0.00 176.35 176.49 3a7a s LEU 153 N 1.73 4.82 -0.17 1.79 1.43 -0.41 -1.44 118.68 126.44 3a7a s LEU 153 Ca -0.04 -1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 51.90 3a7a s LEU 153 Cb -0.12 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 3a7a s LEU 153 CO -0.07 -1.14 -0.31 0.18 0.23 0.00 0.00 176.35 175.24 3a7a n LEU 154 N 6.78 1.91 -2.75 1.79 4.77 -1.00 0.56 117.00 129.06 3a7a n LEU 154 Ca -0.06 0.39 -0.04 0.00 -0.03 0.00 0.00 56.01 56.28 3a7a n LEU 154 Cb 0.45 -0.77 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 3a7a n LEU 154 CO 0.59 -0.31 0.07 0.59 -1.33 0.00 0.00 177.39 177.00 3a7a n ASN 155 N -4.49 0.89 -4.73 -1.43 3.02 -0.34 -2.06 115.26 106.13 3a7a n ASN 155 Ca -0.13 -2.30 -0.41 0.00 -0.03 0.00 0.00 54.58 51.71 3a7a n ASN 155 Cb 0.47 -0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 3a7a n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a7a s ALA 156 N -2.81 3.29 -0.56 5.41 0.00 -1.21 -4.46 121.76 121.44 3a7a s ALA 156 Ca 0.24 0.69 -0.26 0.00 0.00 0.00 0.00 51.96 52.63 3a7a s ALA 156 Cb 0.39 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 3a7a s ALA 156 CO -0.03 -0.18 2.25 0.34 0.00 0.00 0.00 175.76 178.14 3a7a s ASP 157 N 0.30 4.64 0.55 0.00 -1.08 -1.26 -4.81 116.67 115.02 3a7a s ASP 157 Ca 0.50 0.76 0.32 0.00 -0.52 0.00 0.00 52.55 53.61 3a7a s ASP 157 Cb -0.26 -2.51 1.59 0.00 -1.46 0.00 0.00 42.92 40.28 3a7a s ASP 157 CO 0.31 -2.81 2.09 -0.07 0.52 0.00 0.00 175.17 175.21 3a7a h LEU 158 N 18.92 0.00 -0.78 -1.34 3.38 -1.99 -1.74 115.31 131.75 3a7a h LEU 158 Ca -0.22 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.80 3a7a h LEU 158 Cb 1.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 3a7a h LEU 158 CO 1.17 0.08 0.48 0.28 0.09 0.00 0.00 178.44 180.54 3a7a h SER 159 N 0.00 0.77 0.25 -0.43 0.02 -2.00 -1.96 113.55 110.20 3a7a h SER 159 Ca -0.00 0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 60.67 3a7a h SER 159 Cb 0.34 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.75 3a7a h SER 159 CO 0.01 0.51 -1.21 0.03 -1.14 0.00 0.00 176.83 175.03 3a7a h ARG 160 N 0.91 0.53 -0.25 3.45 3.08 -1.73 -1.77 114.38 118.59 3a7a h ARG 160 Ca 0.33 -0.72 0.05 0.00 0.07 0.00 0.00 59.98 59.72 3a7a h ARG 160 Cb 0.11 0.24 -0.08 0.00 0.08 0.00 0.00 29.97 30.32 3a7a h ARG 160 CO -0.15 1.31 -0.43 1.25 -1.07 0.00 0.00 179.97 180.89 3a7a h LEU 161 N 0.23 -1.38 -0.59 3.04 6.46 -1.16 -0.22 115.31 121.70 3a7a h LEU 161 Ca -0.17 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3a7a h LEU 161 Cb 1.89 0.58 -0.03 0.00 -0.73 0.00 0.00 40.66 42.37 3a7a h LEU 161 CO 0.22 -0.40 0.38 0.00 -0.62 0.00 0.00 178.44 178.02 3a7a h ALA 162 N 0.24 0.74 0.02 1.25 0.00 -1.41 -2.43 119.26 117.68 3a7a h ALA 162 Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3a7a h ALA 162 Cb 0.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3a7a h ALA 162 CO -0.48 0.19 -0.24 -0.97 0.00 0.00 0.00 179.25 177.75 3a7a h ASN 163 N 0.79 -0.74 0.81 0.00 -1.24 -0.31 -2.35 115.58 112.55 3a7a h ASN 163 Ca 0.21 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.31 3a7a h ASN 163 Cb -0.07 0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.25 3a7a h ASN 163 CO -0.04 -0.24 0.00 -1.22 -1.29 0.00 0.00 177.43 174.63 3a7a n TYR 164 N -3.83 0.00 0.72 0.67 4.02 -0.21 -2.98 117.16 115.56 3a7a n TYR 164 Ca -0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.97 3a7a n TYR 164 Cb 0.18 -0.45 0.13 0.00 -0.02 0.00 0.00 39.34 39.18 3a7a n TYR 164 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3a7a n LEU 165 N -1.45 3.05 -4.03 7.72 4.77 -0.92 -1.34 117.00 124.81 3a7a n LEU 165 Ca 0.08 -1.17 -0.33 0.00 -0.03 0.00 0.00 56.01 54.56 3a7a n LEU 165 Cb 0.29 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.17 3a7a n LEU 165 CO 0.24 0.57 -0.12 0.20 -1.33 0.00 0.00 177.39 176.94 3a7a s ASN 166 N -1.73 4.81 0.70 -1.43 0.01 -0.90 -4.68 114.94 111.72 3a7a s ASN 166 Ca 0.30 -2.73 -0.13 0.00 -0.71 0.00 0.00 52.86 49.59 3a7a s ASN 166 Cb 0.20 -1.73 0.02 0.00 0.41 0.00 0.00 41.25 40.14 3a7a s ASN 166 CO 0.29 -0.34 1.10 -2.16 -1.51 0.00 0.00 177.10 174.49 3a7a s PRO 167 N 0.12 2.60 0.76 -0.60 0.04 -1.26 -4.43 135.00 132.23 3a7a s PRO 167 Ca 0.15 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 3a7a s PRO 167 Cb -0.23 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.44 3a7a s PRO 167 CO -0.03 -1.40 1.20 -0.25 0.04 0.00 0.00 177.00 176.57 3a7a n ASP 168 N -2.80 1.25 -4.67 6.66 8.00 -1.26 -4.89 116.55 118.83 3a7a n ASP 168 Ca 0.10 0.66 -0.42 0.00 0.71 0.00 0.00 54.79 55.83 3a7a n ASP 168 Cb 0.52 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.08 3a7a n ASP 168 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3a7a s LYS 169 N -3.85 4.23 -0.05 -1.24 2.47 -1.26 -4.99 119.74 115.05 3a7a s LYS 169 Ca 0.76 2.02 0.01 0.00 -1.56 0.00 0.00 55.97 57.19 3a7a s LYS 169 Cb -0.32 -3.74 0.02 0.00 -1.46 0.00 0.00 37.83 32.33 3a7a s LYS 169 CO 0.48 -0.70 -0.03 0.15 0.16 0.00 0.00 175.35 175.41 3a7a s LYS 170 N 3.15 0.71 -0.82 4.03 1.02 -1.26 -5.08 119.74 121.49 3a7a s LYS 170 Ca 0.66 -0.05 -0.25 0.00 0.02 0.00 0.00 55.97 56.35 3a7a s LYS 170 Cb -0.31 -0.80 0.01 0.00 -0.52 0.00 0.00 37.83 36.21 3a7a s LYS 170 CO 0.26 -0.12 1.61 0.15 -0.92 0.00 0.00 175.35 176.33 3a7a s LYS 171 N 1.08 3.02 -0.02 1.68 1.02 -1.26 -4.95 119.74 120.32 3a7a s LYS 171 Ca -0.09 -0.29 0.06 0.00 0.02 0.00 0.00 55.97 55.67 3a7a s LYS 171 Cb -0.14 -4.75 -0.01 0.00 -0.52 0.00 0.00 37.83 32.41 3a7a s LYS 171 CO -0.01 -2.58 -0.20 -0.51 -0.92 0.00 0.00 175.35 171.13 3a7a s LEU 172 N 7.31 2.02 -0.76 3.17 1.43 -1.26 -0.27 118.68 130.32 3a7a s LEU 172 Ca 0.53 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 3a7a s LEU 172 Cb -0.07 -1.05 0.20 0.00 0.03 0.00 0.00 46.19 45.30 3a7a s LEU 172 CO 0.06 0.23 0.63 0.00 0.23 0.00 0.00 176.35 177.51 3a7a s ALA 173 N -0.37 3.91 -0.09 4.21 0.00 -0.25 -4.97 121.76 124.21 3a7a s ALA 173 Ca 0.05 -3.43 0.02 0.00 0.00 0.00 0.00 51.96 48.61 3a7a s ALA 173 Cb -0.09 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3a7a s ALA 173 CO -0.00 -2.17 -0.15 0.00 0.00 0.00 0.00 175.76 173.43 3a7a s ALA 174 N -0.31 2.57 0.60 0.00 0.00 -1.26 -1.62 121.76 121.73 3a7a s ALA 174 Ca 0.20 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 3a7a s ALA 174 Cb -0.14 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 21.96 3a7a s ALA 174 CO -0.07 0.40 0.90 0.15 0.00 0.00 0.00 175.76 177.15 3a7a s LYS 175 N -0.18 2.82 0.00 0.00 1.02 -0.66 -4.99 119.74 117.75 3a7a s LYS 175 Ca -0.01 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.91 3a7a s LYS 175 Cb -0.13 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3a7a s LYS 175 CO 0.03 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.12 3a7a n GLY 176 N -2.60 0.48 3.42 -3.33 0.00 -1.26 -4.49 105.19 97.40 3a7a n GLY 176 Ca 0.05 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.17 3.56 0.19 -0.61 -1.09 -0.66 -4.99 121.20 117.42 3a7a s ILE 177 Ca 0.00 -0.47 -0.16 0.00 -2.23 0.00 0.00 60.65 57.79 3a7a s ILE 177 Cb 0.00 -2.56 -0.07 0.00 -1.58 0.00 0.00 42.46 38.25 3a7a s ILE 177 CO 0.00 0.48 0.62 -0.89 -1.23 0.00 0.00 174.94 173.92 3a7a s THR 178 N 0.62 4.75 1.09 2.92 2.01 -1.26 -4.53 115.64 121.24 3a7a s THR 178 Ca -0.04 0.97 -0.12 0.00 0.31 0.00 0.00 61.69 62.82 3a7a s THR 178 Cb -0.15 -3.76 0.24 0.00 0.01 0.00 0.00 72.50 68.84 3a7a s THR 178 CO 0.03 0.19 1.06 -0.44 -0.69 0.00 0.00 174.62 174.77 3a7a s SER 179 N -1.76 1.56 -0.42 3.53 0.01 -1.26 -4.75 113.70 110.61 3a7a s SER 179 Ca 0.41 1.68 0.02 0.00 1.31 0.00 0.00 55.95 59.36 3a7a s SER 179 Cb -0.15 -2.36 0.13 0.00 0.21 0.00 0.00 66.02 63.85 3a7a s SER 179 CO 0.20 -3.87 0.21 -0.69 0.41 0.00 0.00 173.24 169.50 3a7a s VAL 180 N -2.54 1.38 0.60 3.43 1.01 -1.26 -5.03 120.40 117.99 3a7a s VAL 180 Ca 0.68 -2.41 -0.20 0.00 0.00 0.00 0.00 61.98 60.05 3a7a s VAL 180 Cb -0.24 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3a7a s VAL 180 CO 0.63 -0.86 1.34 -0.13 0.00 0.00 0.00 175.10 176.08 3a7a s ARG 181 N 0.53 2.84 0.08 2.72 0.52 -1.26 -5.05 118.95 119.33 3a7a s ARG 181 Ca 0.16 2.18 -0.23 0.00 -0.52 0.00 0.00 55.73 57.32 3a7a s ARG 181 Cb -0.24 -2.06 0.06 0.00 0.52 0.00 0.00 34.95 33.23 3a7a s ARG 181 CO -0.03 -1.41 0.56 -1.54 0.02 0.00 0.00 175.30 172.91 3a7a s SER 182 N -1.13 -0.50 0.13 0.23 1.04 -1.26 -5.15 113.70 107.07 3a7a s SER 182 Ca 0.77 0.15 -0.31 0.00 0.48 0.00 0.00 55.95 57.05 3a7a s SER 182 Cb -0.40 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.18 3a7a s SER 182 CO 0.45 -0.80 1.32 -0.13 0.98 0.00 0.00 173.24 175.06 3a7a s ARG 183 N -2.83 4.37 0.26 4.02 0.52 -1.26 -4.88 118.95 119.14 3a7a s ARG 183 Ca -0.03 2.01 0.10 0.00 -0.52 0.00 0.00 55.73 57.29 3a7a s ARG 183 Cb -0.00 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 3a7a s ARG 183 CO -0.05 -0.33 -0.17 0.14 0.02 0.00 0.00 175.30 174.91 3a7a s VAL 184 N 0.74 2.16 0.08 3.52 -7.23 -1.26 -0.25 120.40 118.16 3a7a s VAL 184 Ca 0.61 -2.31 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 3a7a s VAL 184 Cb -0.35 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 3a7a s VAL 184 CO 0.33 -0.45 0.15 0.28 -0.31 0.00 0.00 175.10 175.10 3a7a s THR 185 N -2.70 0.15 0.28 5.32 -1.32 -0.75 -4.79 115.64 111.83 3a7a s THR 185 Ca 0.27 -1.27 -0.12 0.00 -1.21 0.00 0.00 61.69 59.36 3a7a s THR 185 Cb -0.03 -1.33 -0.08 0.00 -1.51 0.00 0.00 72.50 69.55 3a7a s THR 185 CO 0.12 -0.70 0.65 0.20 -2.21 0.00 0.00 174.62 172.68 3a7a s ASN 186 N -2.81 6.70 0.37 8.08 0.01 -1.26 -4.58 114.94 121.46 3a7a s ASN 186 Ca 0.04 1.11 0.16 0.00 -0.71 0.00 0.00 52.86 53.47 3a7a s ASN 186 Cb 0.05 -2.30 0.72 0.00 0.41 0.00 0.00 41.25 40.12 3a7a s ASN 186 CO -0.10 -0.15 1.78 -0.07 -1.51 0.00 0.00 177.10 177.05 3a7a h LEU 187 N 2.38 0.00 -0.82 0.60 3.38 0.21 -2.73 115.31 118.34 3a7a h LEU 187 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3a7a h LEU 187 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3a7a h LEU 187 CO 0.67 0.39 0.00 1.07 0.09 0.00 0.00 178.44 180.66 3a7a n THR 188 N -3.79 1.35 0.99 0.22 5.66 -0.87 0.06 114.28 117.91 3a7a n THR 188 Ca -0.01 0.60 0.14 0.00 -3.05 0.00 0.00 64.05 61.72 3a7a n THR 188 Cb 0.47 -1.58 0.62 0.00 -1.55 0.00 0.00 70.33 68.28 3a7a n THR 188 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3a7a n GLU 189 N -1.96 0.00 -0.00 1.09 -0.58 -1.03 -2.59 120.64 115.57 3a7a n GLU 189 Ca -0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 3a7a n GLU 189 Cb 0.04 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.33 3a7a n GLU 189 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3a7a n LEU 190 N -1.50 0.24 -3.11 -4.62 4.32 0.11 -4.94 117.00 107.49 3a7a n LEU 190 Ca 0.07 -0.21 0.05 0.00 -0.02 0.00 0.00 56.01 55.91 3a7a n LEU 190 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 3a7a n LEU 190 CO 0.27 0.06 0.57 -1.48 -1.22 0.00 0.00 177.39 175.59 3a7a s LEU 191 N -3.35 -0.24 1.34 2.23 0.05 -1.01 -5.13 118.68 112.57 3a7a s LEU 191 Ca -0.01 0.01 -0.21 0.00 0.05 0.00 0.00 54.13 53.97 3a7a s LEU 191 Cb 0.09 1.07 0.34 0.00 -2.05 0.00 0.00 46.19 45.63 3a7a s LEU 191 CO 0.52 -0.04 1.00 -2.16 -0.55 0.00 0.00 176.35 175.12 3a7a s PRO 192 N 2.88 -2.28 0.00 1.48 0.04 -1.07 -3.72 135.00 132.33 3a7a s PRO 192 Ca 0.29 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.40 3a7a s PRO 192 Cb -0.00 -1.46 0.00 0.00 0.04 0.00 0.00 34.50 33.08 3a7a s PRO 192 CO -0.22 -4.44 0.00 0.41 0.04 0.00 0.00 177.00 172.79 3a7a n GLY 193 N 0.48 2.09 3.72 0.56 0.00 -1.26 -4.96 105.19 105.82 3a7a n GLY 193 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.39 3.15 0.34 -0.61 2.07 -1.24 -5.02 121.20 117.50 3a7a s ILE 194 Ca 0.00 0.83 0.09 0.00 -1.41 0.00 0.00 60.65 60.16 3a7a s ILE 194 Cb 0.00 -3.53 -0.06 0.00 0.13 0.00 0.00 42.46 39.00 3a7a s ILE 194 CO 0.00 0.07 -0.00 0.42 -1.91 0.00 0.00 174.94 173.52 3a7a s THR 195 N 1.09 2.56 0.34 4.00 -4.23 -1.26 -4.90 115.64 113.24 3a7a s THR 195 Ca 0.66 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.24 3a7a s THR 195 Cb -0.38 -2.78 0.11 0.00 1.34 0.00 0.00 72.50 70.78 3a7a s THR 195 CO 0.31 -0.19 1.82 -0.74 -0.54 0.00 0.00 174.62 175.27 3a7a h HIS 196 N 1.83 0.31 -0.42 3.99 2.76 -1.95 -2.52 115.15 119.15 3a7a h HIS 196 Ca -0.43 -0.05 0.04 0.00 -2.20 0.00 0.00 60.37 57.73 3a7a h HIS 196 Cb 1.25 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 30.09 3a7a h HIS 196 CO 0.71 0.50 0.19 0.93 -1.30 0.00 0.00 177.93 178.96 3a7a h GLU 197 N 0.26 0.37 -0.41 5.26 4.39 -2.00 -2.45 114.58 120.01 3a7a h GLU 197 Ca 0.04 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 3a7a h GLU 197 Cb 0.55 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3a7a h GLU 197 CO 0.04 0.25 -0.35 1.96 -1.16 0.00 0.00 179.01 179.75 3a7a h GLN 198 N 0.38 0.95 -0.68 2.33 4.20 -1.93 -3.03 115.11 117.33 3a7a h GLN 198 Ca 0.18 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3a7a h GLN 198 Cb 0.12 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3a7a h GLN 198 CO -0.15 1.14 0.43 0.28 -0.67 0.00 0.00 178.83 179.86 3a7a h VAL 199 N 0.78 1.18 0.13 -0.54 2.07 -1.05 -2.00 116.25 116.82 3a7a h VAL 199 Ca 0.07 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3a7a h VAL 199 Cb 0.94 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3a7a h VAL 199 CO 0.09 0.18 -0.06 0.00 0.02 0.00 0.00 177.57 177.80 3a7a n GLU 201 N -2.57 0.00 -0.02 0.00 2.13 -1.15 0.28 120.64 119.32 3a7a n GLU 201 Ca -0.02 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.79 3a7a n GLU 201 Cb 0.07 -1.36 -0.06 0.00 0.27 0.00 0.00 31.44 30.36 3a7a n GLU 201 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a7a n ALA 202 N -0.52 2.00 -0.08 4.31 0.00 -0.76 -4.24 120.51 121.22 3a7a n ALA 202 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 3a7a n ALA 202 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 3a7a n ALA 202 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3a7a h ILE 203 N 0.00 0.79 -0.75 0.00 2.04 0.47 -2.91 117.51 117.15 3a7a h ILE 203 Ca -0.12 -1.79 0.21 0.00 1.00 0.00 0.00 64.86 64.16 3a7a h ILE 203 Cb 1.04 1.69 -0.14 0.00 -0.74 0.00 0.00 36.82 38.67 3a7a h ILE 203 CO 0.01 0.27 0.03 0.41 0.00 0.00 0.00 178.15 178.87 3a7a n THR 204 N -4.57 -0.32 0.06 -0.27 -1.04 0.10 0.25 114.28 108.49 3a7a n THR 204 Ca -0.16 1.65 -0.02 0.00 -2.04 0.00 0.00 64.05 63.47 3a7a n THR 204 Cb 0.44 -2.42 -0.01 0.00 -1.82 0.00 0.00 70.33 66.51 3a7a n THR 204 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3a7a h GLU 205 N 0.00 -0.16 -0.98 -2.82 4.39 -1.74 -1.38 114.58 111.89 3a7a h GLU 205 Ca 0.47 0.01 0.34 0.00 0.34 0.00 0.00 59.36 60.52 3a7a h GLU 205 Cb 0.98 0.04 -0.17 0.00 -0.10 0.00 0.00 28.75 29.49 3a7a h GLU 205 CO -0.70 -0.10 0.36 0.00 -1.16 0.00 0.00 179.01 177.40 3a7a h ALA 206 N -1.88 1.74 0.39 3.43 0.00 -0.60 0.66 119.26 123.00 3a7a h ALA 206 Ca -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3a7a h ALA 206 Cb 0.12 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3a7a h ALA 206 CO 0.03 -0.73 -0.49 0.35 0.00 0.00 0.00 179.25 178.40 3a7a h PHE 207 N 0.08 -1.38 -0.66 0.00 3.57 0.33 -1.90 116.94 116.98 3a7a h PHE 207 Ca 0.72 0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.34 3a7a h PHE 207 Cb 1.73 0.55 -0.07 0.00 2.79 0.00 0.00 35.95 40.95 3a7a h PHE 207 CO -0.18 -0.64 0.29 0.74 -2.23 0.00 0.00 178.31 176.29 3a7a h PHE 208 N -0.92 0.51 -0.70 0.41 0.05 0.13 -1.80 116.94 114.62 3a7a h PHE 208 Ca -0.04 0.03 0.17 0.00 3.82 0.00 0.00 57.97 61.95 3a7a h PHE 208 Cb 0.83 -0.13 -0.04 0.00 2.00 0.00 0.00 35.95 38.61 3a7a h PHE 208 CO -0.30 0.16 0.49 0.00 -0.18 0.00 0.00 178.31 178.47 3a7a h ALA 209 N 1.43 2.35 0.04 2.45 0.00 0.23 0.86 119.26 126.62 3a7a h ALA 209 Ca 0.33 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.97 3a7a h ALA 209 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3a7a h ALA 209 CO -0.29 -0.55 -1.37 1.25 0.00 0.00 0.00 179.25 178.29 3a7a h HIS 210 N 0.22 0.17 -0.53 0.00 -0.00 -0.57 -3.34 115.15 111.10 3a7a h HIS 210 Ca 0.34 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 3a7a h HIS 210 Cb 1.04 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 3a7a h HIS 210 CO -0.00 1.14 0.00 0.66 -0.00 0.00 0.00 177.93 179.73 3a7a n TYR 211 N -3.31 1.34 -3.95 5.26 0.53 -0.57 -4.96 117.16 111.49 3a7a n TYR 211 Ca -0.10 -0.66 -0.32 0.00 -1.02 0.00 0.00 57.90 55.80 3a7a n TYR 211 Cb 1.01 -0.27 -0.07 0.00 -1.03 0.00 0.00 39.34 38.98 3a7a n TYR 211 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3a7a n GLY 212 N 0.67 -0.25 0.00 2.72 0.00 0.19 -4.87 105.19 103.66 3a7a n GLY 212 Ca 0.23 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3a7a n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a7a n GLU 213 N -3.51 0.52 -3.59 1.61 1.02 -1.19 -5.07 120.64 110.43 3a7a n GLU 213 Ca -0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 3a7a n GLU 213 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 3a7a n GLU 213 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3a7a s ARG 214 N -1.87 1.21 -0.27 3.49 0.52 -1.26 -4.68 118.95 116.09 3a7a s ARG 214 Ca 0.00 -0.54 -0.25 0.00 -0.52 0.00 0.00 55.73 54.41 3a7a s ARG 214 Cb 0.00 0.49 0.12 0.00 0.52 0.00 0.00 34.95 36.08 3a7a s ARG 214 CO 0.00 -0.54 1.01 0.14 0.02 0.00 0.00 175.30 175.93 3a7a s VAL 215 N -3.50 0.00 -0.29 3.52 -7.23 -1.26 -4.92 120.40 106.72 3a7a s VAL 215 Ca 0.06 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 3a7a s VAL 215 Cb -0.02 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.91 3a7a s VAL 215 CO -0.05 0.00 1.50 -0.70 -0.31 0.00 0.00 175.10 175.53 3a7a s GLU 216 N 0.13 3.75 0.26 4.82 2.12 -1.26 -4.93 118.70 123.59 3a7a s GLU 216 Ca 0.03 1.38 -0.31 0.00 0.36 0.00 0.00 54.97 56.43 3a7a s GLU 216 Cb -0.05 -4.00 -0.13 0.00 0.26 0.00 0.00 34.13 30.22 3a7a s GLU 216 CO -0.05 -1.34 1.44 0.00 -0.54 0.00 0.00 175.26 174.77 3a7a n ALA 217 N 8.43 1.49 -2.46 6.30 0.00 -1.26 -4.89 120.51 128.12 3a7a n ALA 217 Ca 0.17 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.71 3a7a n ALA 217 Cb 0.46 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 3a7a n ALA 217 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3a7a s GLU 218 N -0.58 3.71 -0.19 0.00 2.02 0.17 -4.96 118.70 118.87 3a7a s GLU 218 Ca 0.66 0.15 -0.00 0.00 0.02 0.00 0.00 54.97 55.79 3a7a s GLU 218 Cb -0.60 -2.64 0.05 0.00 0.10 0.00 0.00 34.13 31.03 3a7a s GLU 218 CO 0.51 0.26 -0.05 0.42 0.02 0.00 0.00 175.26 176.41 3a7a s ILE 219 N -1.96 1.25 0.02 -1.63 1.01 -1.26 -0.03 121.20 118.60 3a7a s ILE 219 Ca 0.46 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.99 3a7a s ILE 219 Cb -0.11 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3a7a s ILE 219 CO 0.26 0.03 0.81 -0.63 0.00 0.00 0.00 174.94 175.41 3a7a s ILE 220 N 1.55 4.79 0.02 2.92 1.09 0.10 -4.95 121.20 126.72 3a7a s ILE 220 Ca -0.02 1.71 -0.07 0.00 -1.10 0.00 0.00 60.65 61.18 3a7a s ILE 220 Cb -0.17 -4.16 -0.05 0.00 -1.06 0.00 0.00 42.46 37.03 3a7a s ILE 220 CO -0.07 0.30 0.28 -0.55 -0.10 0.00 0.00 174.94 174.80 3a7a s SER 221 N 0.28 6.51 0.00 3.58 0.15 -1.26 -1.64 113.70 121.31 3a7a s SER 221 Ca 0.41 0.58 0.26 0.00 0.70 0.00 0.00 55.95 57.90 3a7a s SER 221 Cb -0.20 -2.09 1.33 0.00 -1.71 0.00 0.00 66.02 63.34 3a7a s SER 221 CO 0.24 0.24 1.86 -0.81 1.20 0.00 0.00 173.24 175.97 3a7a n PRO 222 N 1.05 0.44 -0.02 5.44 -0.04 -1.26 -3.55 135.00 137.05 3a7a n PRO 222 Ca -0.10 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.42 3a7a n PRO 222 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 3a7a n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3a7a n ASN 223 N -1.24 2.59 -4.51 3.54 4.13 -1.26 -4.99 115.26 113.53 3a7a n ASN 223 Ca 0.13 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.06 3a7a n ASN 223 Cb 0.18 1.25 -0.12 0.00 -1.54 0.00 0.00 39.78 39.55 3a7a n ASN 223 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3a7a s LYS 224 N -2.58 3.48 -0.43 3.52 2.36 -1.23 -5.05 119.74 119.81 3a7a s LYS 224 Ca -0.04 -0.53 -0.27 0.00 -2.55 0.00 0.00 55.97 52.57 3a7a s LYS 224 Cb 0.06 -2.83 -0.04 0.00 -1.05 0.00 0.00 37.83 33.96 3a7a s LYS 224 CO 0.43 0.32 2.11 0.99 1.55 0.00 0.00 175.35 180.75 3a7a s THR 225 N 0.13 3.19 0.77 3.43 2.01 -1.26 -4.67 115.64 119.24 3a7a s THR 225 Ca -0.02 0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.97 3a7a s THR 225 Cb -0.14 -3.37 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 3a7a s THR 225 CO 0.03 -0.32 -0.21 -2.65 -0.69 0.00 0.00 174.62 170.79 3a7a n PRO 226 N 8.88 0.04 -1.81 4.92 -0.02 -1.26 -4.81 135.00 140.94 3a7a n PRO 226 Ca 0.28 0.03 -0.40 0.00 -2.02 0.00 0.00 63.50 61.39 3a7a n PRO 226 Cb 0.50 -1.24 -0.01 0.00 -0.02 0.00 0.00 33.50 32.73 3a7a n PRO 226 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3a7a n ASP 227 N 2.00 7.20 -3.99 2.55 2.03 -1.26 -4.89 116.55 120.19 3a7a n ASP 227 Ca 0.04 -2.92 -0.14 0.00 0.52 0.00 0.00 54.79 52.30 3a7a n ASP 227 Cb 0.52 -1.48 -0.13 0.00 -0.72 0.00 0.00 41.12 39.31 3a7a n ASP 227 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3a7a s LEU 228 N -0.51 2.12 0.16 -2.67 1.02 -1.26 -5.14 118.68 112.40 3a7a s LEU 228 Ca 0.55 -0.29 -0.31 0.00 0.02 0.00 0.00 54.13 54.11 3a7a s LEU 228 Cb 0.16 -0.15 -0.08 0.00 0.02 0.00 0.00 46.19 46.14 3a7a s LEU 228 CO -0.07 -0.08 1.33 -2.16 0.02 0.00 0.00 176.35 175.39 3a7a s PRO 229 N -0.78 4.37 0.00 1.29 0.04 -1.26 -3.61 135.00 135.05 3a7a s PRO 229 Ca -0.05 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3a7a s PRO 229 Cb -0.06 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3a7a s PRO 229 CO -0.00 -0.31 0.00 0.09 0.04 0.00 0.00 177.00 176.82 3a7a n ASN 230 N 3.19 0.00 0.00 6.66 4.13 -1.26 -4.93 115.26 123.05 3a7a n ASN 230 Ca 0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.34 3a7a n ASN 230 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 3a7a n ASN 230 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3a7a n PHE 231 N 0.00 0.00 -0.54 3.10 7.35 -1.24 0.39 117.46 126.52 3a7a n PHE 231 Ca 0.00 0.00 0.42 0.00 -0.76 0.00 0.00 57.45 57.11 3a7a n PHE 231 Cb 0.00 -0.30 0.65 0.00 0.35 0.00 0.00 39.48 40.18 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 -3.12 1.46 -0.04 3.13 0.00 -1.26 -0.21 120.51 120.46 3a7a n ALA 232 Ca 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 53.44 54.02 3a7a n ALA 232 Cb 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 3a7a n ALA 232 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3a7a h GLU 233 N 0.00 0.00 -0.68 0.00 4.39 0.69 -3.30 114.58 115.67 3a7a h GLU 233 Ca 0.77 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.56 3a7a h GLU 233 Cb 2.94 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 31.47 3a7a h GLU 233 CO -0.10 0.00 -0.46 1.15 -1.16 0.00 0.00 179.01 178.43 3a7a h THR 234 N -0.74 0.05 -0.72 1.13 2.02 -0.55 -0.39 112.91 113.70 3a7a h THR 234 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3a7a h THR 234 Cb 0.08 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.50 3a7a h THR 234 CO 0.00 0.00 0.47 0.15 0.37 0.00 0.00 175.52 176.51 3a7a h PHE 235 N -0.18 0.75 -0.21 3.16 3.57 -1.41 0.16 116.94 122.78 3a7a h PHE 235 Ca 0.19 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 3a7a h PHE 235 Cb 0.55 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3a7a h PHE 235 CO -0.78 0.39 -0.47 0.00 -2.23 0.00 0.00 178.31 175.22 3a7a h ALA 236 N 1.61 0.79 0.11 2.41 0.00 -1.18 -0.95 119.26 122.05 3a7a h ALA 236 Ca 0.31 -0.47 -0.27 0.00 0.00 0.00 0.00 54.91 54.48 3a7a h ALA 236 Cb 0.28 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a7a h ALA 236 CO -0.10 0.66 -1.19 -0.09 0.00 0.00 0.00 179.25 178.53 3a7a h ARG 237 N 0.43 0.37 -0.56 0.00 2.43 -0.62 -3.10 114.38 113.34 3a7a h ARG 237 Ca 0.02 -0.54 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 3a7a h ARG 237 Cb 0.99 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3a7a h ARG 237 CO 0.09 1.23 0.13 0.37 -1.51 0.00 0.00 179.97 180.28 3a7a h GLN 238 N 0.14 0.87 -0.01 0.20 5.75 -0.65 -2.55 115.11 118.86 3a7a h GLN 238 Ca -0.14 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.18 3a7a h GLN 238 Cb 1.89 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 30.31 3a7a h GLN 238 CO 0.20 0.79 0.00 0.43 -2.65 0.00 0.00 178.83 177.60 3a7a n SER 239 N -4.26 0.48 -4.85 -0.69 7.64 -0.37 -4.63 113.62 106.94 3a7a n SER 239 Ca 0.04 -1.22 -0.32 0.00 1.01 0.00 0.00 58.87 58.38 3a7a n SER 239 Cb 0.24 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.93 6.78 0.43 6.43 1.04 -0.96 -4.96 113.70 120.52 3a7a s SER 240 Ca 0.42 1.30 0.21 0.00 0.48 0.00 0.00 55.95 58.37 3a7a s SER 240 Cb 0.20 -2.38 0.93 0.00 0.10 0.00 0.00 66.02 64.87 3a7a s SER 240 CO 0.34 -0.22 1.85 -0.25 0.98 0.00 0.00 173.24 175.94 3a7a h TRP 241 N 2.20 0.00 -0.30 5.02 7.01 -1.90 -2.73 115.95 125.26 3a7a h TRP 241 Ca -0.48 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.36 3a7a h TRP 241 Cb 1.17 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.23 3a7a h TRP 241 CO 0.62 0.28 -0.47 0.93 -2.79 0.00 0.00 178.44 177.01 3a7a h GLU 242 N 0.00 0.79 0.01 2.65 3.07 -1.93 -0.77 114.58 118.40 3a7a h GLU 242 Ca -0.00 -0.45 -0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3a7a h GLU 242 Cb 0.69 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3a7a h GLU 242 CO 0.04 1.08 -0.00 2.35 -1.40 0.00 0.00 179.01 181.08 3a7a h TRP 243 N 0.63 -0.01 0.07 4.33 2.91 -1.75 -1.10 115.95 121.04 3a7a h TRP 243 Ca 0.03 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 3a7a h TRP 243 Cb 1.04 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.69 3a7a h TRP 243 CO 0.06 0.82 -0.06 -0.91 -1.03 0.00 0.00 178.44 177.31 3a7a h ASN 244 N -0.97 -0.17 0.00 2.65 2.35 -1.56 -3.20 115.58 114.68 3a7a h ASN 244 Ca -0.00 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3a7a h ASN 244 Cb 0.83 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3a7a h ASN 244 CO 0.00 -0.09 -0.36 -0.26 -1.65 0.00 0.00 177.43 175.08 3a7a h PHE 245 N -0.13 0.00 -0.93 1.19 0.04 -1.40 -3.40 116.94 112.31 3a7a h PHE 245 Ca -0.01 0.00 0.22 0.00 2.80 0.00 0.00 57.97 60.98 3a7a h PHE 245 Cb 0.11 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.14 3a7a h PHE 245 CO -0.05 0.85 0.48 0.78 -0.60 0.00 0.00 178.31 179.77 3a7a h GLY 246 N -1.00 1.65 2.00 -1.45 0.00 -0.63 -1.48 103.07 102.16 3a7a h GLY 246 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3a7a h GLY 246 CO -0.05 -0.22 0.00 1.46 0.00 0.00 0.00 176.54 177.73 3a7a h GLN 247 N 0.51 0.00 -4.78 4.80 1.08 -1.21 -3.08 115.11 112.42 3a7a h GLN 247 Ca 0.58 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 57.10 3a7a h GLN 247 Cb 1.05 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.50 3a7a h GLN 247 CO -0.48 0.00 0.37 0.00 -0.95 0.00 0.00 178.83 177.77 3a7a n ALA 248 N -2.05 -1.76 -1.11 3.87 0.00 -0.56 -4.84 120.51 114.06 3a7a n ALA 248 Ca -0.03 0.43 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 3a7a n ALA 248 Cb 0.08 -1.48 0.09 0.00 0.00 0.00 0.00 19.45 18.13 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 2.49 0.13 -1.52 0.00 -0.02 -1.26 -4.45 135.00 130.37 3a7a n PRO 249 Ca 0.22 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.38 3a7a n PRO 249 Cb -0.01 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 31.56 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 -2.84 -0.83 -3.77 3.55 0.00 -1.26 -4.57 120.51 110.79 3a7a n ALA 250 Ca 0.10 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 3a7a n ALA 250 Cb 0.51 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.43 -0.18 0.15 0.00 -0.71 -1.01 -1.65 117.98 113.14 3a7a s PHE 251 Ca 0.65 -0.17 0.09 0.00 -1.04 0.00 0.00 56.93 56.46 3a7a s PHE 251 Cb -0.56 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 3a7a s PHE 251 CO 0.57 -0.97 -0.21 -1.12 -1.34 0.00 0.00 175.22 172.14 3a7a s SER 252 N -2.90 2.86 -0.06 1.98 0.01 -0.64 -1.00 113.70 113.94 3a7a s SER 252 Ca 0.11 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.59 3a7a s SER 252 Cb -0.03 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.04 3a7a s SER 252 CO 0.03 0.05 -0.09 -2.28 0.41 0.00 0.00 173.24 171.36 3a7a s HIS 253 N -1.58 1.19 -0.23 2.43 5.04 -0.82 -1.09 115.29 120.23 3a7a s HIS 253 Ca 0.14 -0.44 -0.07 0.00 -1.54 0.00 0.00 55.06 53.15 3a7a s HIS 253 Cb -0.08 -0.94 -0.03 0.00 0.04 0.00 0.00 32.58 31.57 3a7a s HIS 253 CO 0.06 -0.28 0.06 -1.17 -2.34 0.00 0.00 174.74 171.08 3a7a s LEU 254 N 0.93 3.51 0.03 8.88 2.96 0.63 -1.34 118.68 134.28 3a7a s LEU 254 Ca -0.10 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3a7a s LEU 254 Cb -0.15 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3a7a s LEU 254 CO 0.01 0.01 -0.12 -1.48 -1.32 0.00 0.00 176.35 173.45 3a7a s LEU 255 N 1.32 2.16 0.09 -0.68 2.34 -0.54 -4.15 118.68 119.22 3a7a s LEU 255 Ca 0.05 -0.42 -0.05 0.00 0.06 0.00 0.00 54.13 53.77 3a7a s LEU 255 Cb -0.15 -0.49 -0.02 0.00 -0.56 0.00 0.00 46.19 44.97 3a7a s LEU 255 CO 0.03 0.00 0.10 1.51 -1.06 0.00 0.00 176.35 176.94 3a7a s ASP 256 N -1.05 0.27 -0.29 1.48 1.47 -1.26 -0.03 116.67 117.26 3a7a s ASP 256 Ca -0.00 -0.89 -0.19 0.00 1.18 0.00 0.00 52.55 52.65 3a7a s ASP 256 Cb -0.07 0.30 0.16 0.00 -0.34 0.00 0.00 42.92 42.96 3a7a s ASP 256 CO 0.01 -0.71 1.09 -0.70 0.68 0.00 0.00 175.17 175.54 3a7a s GLU 257 N -3.93 0.30 0.37 2.11 2.56 -0.62 -4.99 118.70 114.50 3a7a s GLU 257 Ca 0.10 0.47 -0.15 0.00 0.00 0.00 0.00 54.97 55.40 3a7a s GLU 257 Cb 0.06 0.09 -0.09 0.00 2.00 0.00 0.00 34.13 36.19 3a7a s GLU 257 CO -0.07 -0.06 0.79 1.03 -0.56 0.00 0.00 175.26 176.39 3a7a s ARG 258 N 0.94 4.00 0.09 4.30 1.81 -1.26 -0.89 118.95 127.94 3a7a s ARG 258 Ca -0.05 0.72 0.03 0.00 -1.72 0.00 0.00 55.73 54.71 3a7a s ARG 258 Cb -0.04 -2.37 -0.04 0.00 -0.45 0.00 0.00 34.95 32.06 3a7a s ARG 258 CO -0.12 0.07 -0.09 -0.06 -0.68 0.00 0.00 175.30 174.41 3a7a s PHE 259 N -2.12 0.99 0.66 -0.53 0.40 0.31 -4.94 117.98 112.75 3a7a s PHE 259 Ca 0.55 -0.69 0.34 0.00 -0.60 0.00 0.00 56.93 56.53 3a7a s PHE 259 Cb -0.10 -0.55 1.88 0.00 0.51 0.00 0.00 43.02 44.76 3a7a s PHE 259 CO 0.20 -0.04 2.08 1.79 0.70 0.00 0.00 175.22 179.95 3a7a h THR 260 N 3.51 0.07 -0.27 0.64 1.35 -2.04 -0.05 112.91 116.13 3a7a h THR 260 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3a7a h THR 260 Cb 1.19 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3a7a h THR 260 CO 0.54 0.00 0.00 -2.67 -0.25 0.00 0.00 175.52 173.14 3a7a n TRP 261 N -3.08 0.34 0.00 4.73 4.27 -1.26 -5.06 117.44 117.38 3a7a n TRP 261 Ca -0.02 -0.23 0.00 0.00 -3.89 0.00 0.00 57.50 53.37 3a7a n TRP 261 Cb 0.29 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.23 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 1.08 3.21 3.51 -1.67 0.00 -0.03 -4.55 105.19 106.74 3a7a n GLY 262 Ca 0.14 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 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 1.79 0.19 -0.02 0.00 -1.26 0.11 107.32 108.13 3a7a s GLY 263 Ca 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 44.72 43.87 3a7a s GLY 263 CO 0.00 0.21 0.02 0.14 0.00 0.00 0.00 173.10 173.46 3a7a s VAL 264 N 0.86 3.76 -0.25 1.40 1.01 -0.06 -2.69 120.40 124.43 3a7a s VAL 264 Ca 0.02 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.46 3a7a s VAL 264 Cb -0.14 -2.92 0.12 0.00 0.00 0.00 0.00 36.38 33.44 3a7a s VAL 264 CO 0.02 -0.16 0.52 -0.70 0.00 0.00 0.00 175.10 174.78 3a7a s GLU 265 N -3.10 0.45 0.02 2.72 2.12 -0.79 -1.58 118.70 118.54 3a7a s GLU 265 Ca 0.28 1.14 0.06 0.00 0.36 0.00 0.00 54.97 56.81 3a7a s GLU 265 Cb -0.09 0.48 -0.03 0.00 0.26 0.00 0.00 34.13 34.75 3a7a s GLU 265 CO 0.19 -0.31 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.94 3a7a s LEU 266 N 2.74 2.73 -0.17 2.70 1.43 0.96 -1.14 118.68 127.92 3a7a s LEU 266 Ca 0.01 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3a7a s LEU 266 Cb -0.13 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.55 3a7a s LEU 266 CO -0.16 0.28 -0.07 -2.28 0.23 0.00 0.00 176.35 174.34 3a7a s HIS 267 N -0.90 1.95 -0.12 0.29 5.65 -0.26 -1.47 115.29 120.44 3a7a s HIS 267 Ca 0.14 -1.25 -0.06 0.00 0.25 0.00 0.00 55.06 54.15 3a7a s HIS 267 Cb -0.11 -1.43 -0.04 0.00 -1.18 0.00 0.00 32.58 29.82 3a7a s HIS 267 CO 0.05 -0.66 0.09 -0.06 -0.65 0.00 0.00 174.74 173.51 3a7a s PHE 268 N 1.55 3.44 -0.31 3.88 0.08 -0.45 -1.57 117.98 124.60 3a7a s PHE 268 Ca 0.00 0.39 -0.07 0.00 0.12 0.00 0.00 56.93 57.38 3a7a s PHE 268 Cb -0.15 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 3a7a s PHE 268 CO -0.08 0.61 0.09 -0.51 -0.10 0.00 0.00 175.22 175.23 3a7a s ASP 269 N -0.86 5.21 -0.14 1.36 1.01 0.24 -1.95 116.67 121.54 3a7a s ASP 269 Ca 0.14 -0.81 0.01 0.00 0.71 0.00 0.00 52.55 52.60 3a7a s ASP 269 Cb -0.12 -1.89 -0.00 0.00 1.01 0.00 0.00 42.92 41.92 3a7a s ASP 269 CO 0.03 -0.23 -0.18 -0.69 0.21 0.00 0.00 175.17 174.31 3a7a s VAL 270 N 1.49 2.48 -0.01 -1.27 1.01 -0.18 0.79 120.40 124.71 3a7a s VAL 270 Ca 0.02 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3a7a s VAL 270 Cb -0.18 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3a7a s VAL 270 CO 0.03 0.53 -0.01 -1.61 0.00 0.00 0.00 175.10 174.04 3a7a s GLU 271 N 0.65 0.21 -1.17 2.72 2.02 -0.34 -2.41 118.70 120.39 3a7a s GLU 271 Ca -0.09 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.87 3a7a s GLU 271 Cb -0.16 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.80 3a7a s GLU 271 CO 0.02 -0.01 0.00 1.63 0.02 0.00 0.00 175.26 176.93 3a7a n LYS 272 N 3.37 -1.99 -0.66 1.61 4.01 -1.25 -0.54 118.16 122.70 3a7a n LYS 272 Ca -0.17 0.66 0.00 0.00 -0.51 0.00 0.00 58.31 58.29 3a7a n LYS 272 Cb 0.56 -5.18 0.00 0.00 -0.51 0.00 0.00 35.03 29.90 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 -0.69 1.33 3.78 0.72 0.00 -1.16 -4.74 105.19 104.43 3a7a n GLY 273 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.53 3.39 -0.97 1.61 3.76 0.29 -0.36 115.29 119.48 3a7a s HIS 274 Ca 0.00 0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 55.04 3a7a s HIS 274 Cb 0.00 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 3a7a s HIS 274 CO 0.00 0.60 1.79 0.42 -0.85 0.00 0.00 174.74 176.70 3a7a s ILE 275 N -0.91 3.62 0.59 0.60 1.01 0.21 -1.19 121.20 125.12 3a7a s ILE 275 Ca 0.14 -0.58 0.37 0.00 0.00 0.00 0.00 60.65 60.57 3a7a s ILE 275 Cb -0.12 -4.41 0.39 0.00 0.01 0.00 0.00 42.46 38.34 3a7a s ILE 275 CO 0.03 -1.29 2.28 0.71 0.00 0.00 0.00 174.94 176.67 3a7a h THR 276 N 6.99 0.27 -1.51 2.92 1.35 0.08 0.22 112.91 123.23 3a7a h THR 276 Ca 0.15 -0.08 0.09 0.00 -0.55 0.00 0.00 66.41 66.02 3a7a h THR 276 Cb 1.00 1.06 -0.27 0.00 -1.73 0.00 0.00 68.15 68.21 3a7a h THR 276 CO 1.29 0.01 0.54 -0.60 -0.25 0.00 0.00 175.52 176.51 3a7a s ARG 277 N -4.33 0.44 -0.02 4.72 3.00 -1.15 -4.56 118.95 117.06 3a7a s ARG 277 Ca -0.04 0.45 0.04 0.00 -1.00 0.00 0.00 55.73 55.17 3a7a s ARG 277 Cb 0.14 0.21 -0.01 0.00 0.00 0.00 0.00 34.95 35.30 3a7a s ARG 277 CO 0.49 -0.07 -0.14 0.00 0.00 0.00 0.00 175.30 175.58 3a7a s ALA 278 N -0.02 1.20 0.03 6.12 0.00 -1.26 -0.59 121.76 127.25 3a7a s ALA 278 Ca 0.03 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.49 3a7a s ALA 278 Cb -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3a7a s ALA 278 CO -0.07 0.26 -0.22 -0.65 0.00 0.00 0.00 175.76 175.09 3a7a s GLN 279 N -0.15 1.50 -0.09 0.00 -0.21 -0.61 -4.68 119.66 115.42 3a7a s GLN 279 Ca 0.02 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.47 3a7a s GLN 279 Cb -0.07 -1.59 0.02 0.00 1.00 0.00 0.00 33.01 32.36 3a7a s GLN 279 CO 0.00 0.41 -0.08 0.54 -2.12 0.00 0.00 175.29 174.04 3a7a s VAL 280 N -0.75 1.00 -0.15 1.09 0.11 -1.26 -1.10 120.40 119.33 3a7a s VAL 280 Ca 0.08 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 3a7a s VAL 280 Cb -0.09 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 3a7a s VAL 280 CO 0.01 0.35 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.60 3a7a s PHE 281 N 1.39 2.75 -0.08 1.54 0.08 -0.29 -4.97 117.98 118.39 3a7a s PHE 281 Ca -0.01 -1.14 -0.13 0.00 0.12 0.00 0.00 56.93 55.77 3a7a s PHE 281 Cb -0.14 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.48 3a7a s PHE 281 CO -0.04 -0.52 0.32 -0.08 -0.10 0.00 0.00 175.22 174.80 3a7a s THR 282 N 0.82 0.02 -0.98 0.64 -1.32 -1.26 -1.88 115.64 111.69 3a7a s THR 282 Ca -0.06 -0.20 0.15 0.00 -1.21 0.00 0.00 61.69 60.37 3a7a s THR 282 Cb -0.15 -0.53 0.66 0.00 -1.51 0.00 0.00 72.50 70.97 3a7a s THR 282 CO -0.01 -0.11 1.54 -0.90 -2.21 0.00 0.00 174.62 172.93 3a7a n ASP 283 N 2.23 4.49 -4.72 8.08 5.68 -1.10 -4.98 116.55 126.23 3a7a n ASP 283 Ca -0.17 -2.50 -0.32 0.00 -0.50 0.00 0.00 54.79 51.30 3a7a n ASP 283 Cb 0.57 -0.57 0.11 0.00 -1.14 0.00 0.00 41.12 40.09 3a7a n ASP 283 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3a7a s SER 284 N -0.80 3.95 0.04 -1.12 0.15 -1.26 -4.76 113.70 109.90 3a7a s SER 284 Ca 0.46 2.11 -0.00 0.00 0.70 0.00 0.00 55.95 59.21 3a7a s SER 284 Cb 0.31 -2.56 -0.26 0.00 -1.71 0.00 0.00 66.02 61.80 3a7a s SER 284 CO 0.20 -2.41 0.98 -0.07 1.20 0.00 0.00 173.24 173.13 3a7a h LEU 285 N -1.03 0.30 -7.86 3.45 3.38 -1.94 -3.40 115.31 108.21 3a7a h LEU 285 Ca -0.45 -0.38 -0.75 0.00 0.09 0.00 0.00 57.88 56.39 3a7a h LEU 285 Cb 1.26 -0.10 -0.28 0.00 0.09 0.00 0.00 40.66 41.63 3a7a h LEU 285 CO 0.48 1.31 -0.17 0.20 0.09 0.00 0.00 178.44 180.35 3a7a s ASN 286 N -6.90 6.11 -0.08 -0.43 -0.87 -1.26 -4.86 114.94 106.66 3a7a s ASN 286 Ca -0.06 -2.36 0.21 0.00 -1.57 0.00 0.00 52.86 49.08 3a7a s ASN 286 Cb 0.07 -2.10 -0.31 0.00 -0.02 0.00 0.00 41.25 38.90 3a7a s ASN 286 CO 0.85 -0.62 0.37 -0.81 -2.57 0.00 0.00 177.10 174.32 3a7a n PRO 287 N 4.36 0.67 -0.33 -0.60 -0.04 -1.26 -4.61 135.00 133.18 3a7a n PRO 287 Ca 0.02 -0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.26 3a7a n PRO 287 Cb 0.42 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 3a7a n PRO 287 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a7a n ALA 288 N -2.40 -0.45 -0.25 0.55 0.00 -1.26 0.06 120.51 116.76 3a7a n ALA 288 Ca -0.12 0.70 -0.03 0.00 0.00 0.00 0.00 53.44 53.99 3a7a n ALA 288 Cb 0.74 -0.15 0.15 0.00 0.00 0.00 0.00 19.45 20.20 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 1.07 -0.31 0.00 0.13 -2.00 -2.90 132.00 127.99 3a7a h PRO 289 Ca 0.15 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 65.08 3a7a h PRO 289 Cb 0.35 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 3a7a h PRO 289 CO -0.76 0.81 -0.06 -0.07 -0.23 0.00 0.00 178.00 177.69 3a7a h LEU 290 N 1.07 0.59 -1.83 1.56 3.38 -0.65 0.13 115.31 119.56 3a7a h LEU 290 Ca 0.26 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3a7a h LEU 290 Cb 0.08 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3a7a h LEU 290 CO -0.04 0.81 -0.14 -0.33 0.09 0.00 0.00 178.44 178.83 3a7a h GLU 291 N 0.36 0.00 -0.02 1.13 5.08 -1.18 -1.77 114.58 118.17 3a7a h GLU 291 Ca 0.08 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 3a7a h GLU 291 Cb 0.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.81 3a7a h GLU 291 CO 0.03 0.14 -0.64 0.00 -1.00 0.00 0.00 179.01 177.54 3a7a h ALA 292 N 1.86 0.10 -0.44 3.43 0.00 -1.27 -3.28 119.26 119.67 3a7a h ALA 292 Ca -0.00 -0.57 0.08 0.00 0.00 0.00 0.00 54.91 54.41 3a7a h ALA 292 Cb 0.30 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3a7a h ALA 292 CO 0.02 0.40 0.05 1.25 0.00 0.00 0.00 179.25 180.96 3a7a h LEU 293 N -0.00 -0.08 -0.59 0.00 5.85 -0.25 -1.11 115.31 119.13 3a7a h LEU 293 Ca -0.07 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.85 3a7a h LEU 293 Cb 1.33 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 42.39 3a7a h LEU 293 CO 0.13 -0.01 -0.25 0.00 -0.34 0.00 0.00 178.44 177.97 3a7a h ALA 294 N 1.36 0.16 -0.47 1.25 0.00 -1.44 0.89 119.26 121.02 3a7a h ALA 294 Ca 0.22 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 3a7a h ALA 294 Cb 0.29 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3a7a h ALA 294 CO -0.32 -0.56 0.18 0.78 0.00 0.00 0.00 179.25 179.33 3a7a h GLY 295 N -0.10 0.71 1.30 0.00 0.00 -1.36 -2.41 103.07 101.21 3a7a h GLY 295 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3a7a h GLY 295 CO -0.65 0.33 -0.01 0.54 0.00 0.00 0.00 176.54 176.74 3a7a n ARG 296 N -4.36 0.65 0.01 4.80 1.74 0.18 -3.29 116.66 116.39 3a7a n ARG 296 Ca 0.03 -0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3a7a n ARG 296 Cb 0.15 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.22 3a7a n ARG 296 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3a7a n LEU 297 N -1.14 0.63 -4.74 0.55 4.77 -0.42 -4.82 117.00 111.83 3a7a n LEU 297 Ca 0.17 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 3a7a n LEU 297 Cb 0.21 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3a7a n LEU 297 CO 0.22 0.12 1.29 -1.58 -1.33 0.00 0.00 177.39 176.11 3a7a s GLN 298 N -3.05 4.14 0.00 3.23 0.74 -1.21 -1.12 119.66 122.39 3a7a s GLN 298 Ca 0.09 2.56 0.00 0.00 0.05 0.00 0.00 55.36 58.06 3a7a s GLN 298 Cb 0.16 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 31.22 3a7a s GLN 298 CO 0.76 -0.67 0.00 0.41 -0.55 0.00 0.00 175.29 175.23 3a7a n GLY 299 N 3.03 2.76 3.77 2.59 0.00 0.77 -5.00 105.19 113.11 3a7a n GLY 299 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.85 4.37 -1.01 0.00 2.96 -1.26 0.65 118.68 122.53 3a7a s LEU 301 Ca 0.50 2.75 -0.18 0.00 -0.22 0.00 0.00 54.13 56.98 3a7a s LEU 301 Cb -0.38 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 42.60 3a7a s LEU 301 CO 0.50 -0.78 2.07 0.00 -1.32 0.00 0.00 176.35 176.82 3a7a n TYR 302 N 2.46 2.31 -3.67 5.38 9.36 0.52 -4.43 117.16 129.09 3a7a n TYR 302 Ca 0.08 -2.20 -0.15 0.00 3.32 0.00 0.00 57.90 58.95 3a7a n TYR 302 Cb 0.39 -1.97 -0.08 0.00 -0.63 0.00 0.00 39.34 37.05 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 4.23 0.78 0.16 2.98 3.52 -1.26 -5.03 118.95 124.33 3a7a s ARG 303 Ca 0.53 0.10 -0.21 0.00 -0.13 0.00 0.00 55.73 56.02 3a7a s ARG 303 Cb 0.14 0.36 0.06 0.00 -1.56 0.00 0.00 34.95 33.95 3a7a s ARG 303 CO 0.04 -0.21 1.64 0.00 -0.81 0.00 0.00 175.30 175.95 3a7a h ALA 304 N 3.81 -0.01 -0.37 6.12 0.00 -1.87 -1.40 119.26 125.54 3a7a h ALA 304 Ca -0.28 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3a7a h ALA 304 Cb 1.16 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 3a7a h ALA 304 CO 0.36 -0.61 0.06 0.38 0.00 0.00 0.00 179.25 179.45 3a7a h ASP 305 N -0.18 -0.01 -0.55 0.00 2.03 -1.95 0.48 116.42 116.23 3a7a h ASP 305 Ca 0.16 0.06 -0.11 0.00 -0.73 0.00 0.00 57.03 56.41 3a7a h ASP 305 Cb 0.43 0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 39.00 3a7a h ASP 305 CO -0.42 0.03 -0.09 0.24 -1.03 0.00 0.00 179.24 177.97 3a7a h MET 306 N 0.18 1.04 0.96 4.15 2.86 -1.79 -1.51 114.93 120.83 3a7a h MET 306 Ca 0.18 -0.38 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 3a7a h MET 306 Cb 0.21 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.81 3a7a h MET 306 CO -0.24 1.07 -0.48 -0.07 1.06 0.00 0.00 176.91 178.25 3a7a h LEU 307 N 0.92 -1.15 -0.98 1.22 -0.00 -0.62 -2.34 115.31 112.37 3a7a h LEU 307 Ca 0.15 0.04 0.33 0.00 -0.00 0.00 0.00 57.88 58.40 3a7a h LEU 307 Cb 0.66 0.30 -0.16 0.00 -0.00 0.00 0.00 40.66 41.46 3a7a h LEU 307 CO 0.05 -0.80 0.42 -0.61 -0.00 0.00 0.00 178.44 177.50 3a7a h GLN 308 N -1.31 0.14 0.77 1.13 5.75 -0.01 -1.41 115.11 120.17 3a7a h GLN 308 Ca -0.13 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 3a7a h GLN 308 Cb 1.01 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.53 3a7a h GLN 308 CO 0.21 0.09 -0.46 1.96 -2.65 0.00 0.00 178.83 177.98 3a7a h GLN 309 N 0.15 -1.11 -0.91 1.69 4.20 -0.81 -2.16 115.11 116.16 3a7a h GLN 309 Ca 0.72 0.08 0.17 0.00 0.06 0.00 0.00 58.65 59.68 3a7a h GLN 309 Cb 1.71 0.25 -0.07 0.00 0.30 0.00 0.00 27.48 29.67 3a7a h GLN 309 CO -0.72 -0.74 0.59 0.93 -0.67 0.00 0.00 178.83 178.22 3a7a h GLU 310 N -1.15 0.60 0.53 1.46 4.39 -0.76 0.20 114.58 119.85 3a7a h GLU 310 Ca -0.10 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 3a7a h GLU 310 Cb 0.92 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3a7a h GLU 310 CO 0.11 0.39 -0.25 0.00 -1.16 0.00 0.00 179.01 178.10 3a7a h GLU 312 N -0.79 -0.30 -0.09 0.00 4.57 -0.64 0.34 114.58 117.67 3a7a h GLU 312 Ca -0.07 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3a7a h GLU 312 Cb 0.58 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 3a7a h GLU 312 CO 0.12 -0.20 0.25 0.00 -1.18 0.00 0.00 179.01 178.00 3a7a h ALA 313 N 0.60 1.47 0.04 2.92 0.00 -0.81 -1.63 119.26 121.84 3a7a h ALA 313 Ca 0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3a7a h ALA 313 Cb 0.55 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3a7a h ALA 313 CO -0.48 -0.30 -0.23 1.25 0.00 0.00 0.00 179.25 179.49 3a7a h LEU 314 N 0.00 0.14 -0.65 0.00 6.46 0.20 -3.34 115.31 118.12 3a7a h LEU 314 Ca 0.04 -0.95 0.07 0.00 -0.12 0.00 0.00 57.88 56.92 3a7a h LEU 314 Cb 0.54 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 40.34 3a7a h LEU 314 CO -0.00 1.08 -0.35 0.18 -0.62 0.00 0.00 178.44 178.73 3a7a n LEU 315 N -4.48 -0.63 0.00 2.25 4.77 -0.46 -1.23 117.00 117.22 3a7a n LEU 315 Ca -0.11 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 3a7a n LEU 315 Cb 0.56 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3a7a n LEU 315 CO 0.38 -0.96 0.14 0.52 -1.33 0.00 0.00 177.39 176.14 3a7a n VAL 316 N -4.85 0.00 -0.18 4.08 0.31 -1.23 -0.68 118.33 115.77 3a7a n VAL 316 Ca 0.03 0.49 0.05 0.00 -0.01 0.00 0.00 64.34 64.90 3a7a n VAL 316 Cb 0.19 -0.71 0.33 0.00 -0.91 0.00 0.00 33.84 32.74 3a7a n VAL 316 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3a7a h ASP 317 N 0.00 0.71 -3.40 4.52 5.19 -1.36 -3.24 116.42 118.84 3a7a h ASP 317 Ca 0.00 -0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.74 3a7a h ASP 317 Cb 0.00 -0.16 -0.38 0.00 0.18 0.00 0.00 39.33 38.97 3a7a h ASP 317 CO 0.00 0.47 -0.35 -0.36 -3.12 0.00 0.00 179.24 175.88 3a7a s PHE 318 N -5.71 3.67 0.06 4.55 0.08 0.14 -4.93 117.98 115.85 3a7a s PHE 318 Ca -0.10 -3.14 -0.13 0.00 0.12 0.00 0.00 56.93 53.68 3a7a s PHE 318 Cb 0.19 -2.99 -0.27 0.00 -0.57 0.00 0.00 43.02 39.38 3a7a s PHE 318 CO 0.77 -0.67 1.13 -1.00 -0.10 0.00 0.00 175.22 175.35 3a7a h PRO 319 N 5.89 0.58 0.00 0.24 0.13 -1.37 -3.28 132.00 134.20 3a7a h PRO 319 Ca 0.12 -0.77 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3a7a h PRO 319 Cb 0.81 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3a7a h PRO 319 CO 0.77 1.34 0.00 0.39 -0.23 0.00 0.00 178.00 180.28 3a7a n GLU 320 N -3.77 0.17 -1.81 0.86 1.02 -1.26 -2.31 120.64 113.53 3a7a n GLU 320 Ca -0.13 0.17 -0.20 0.00 -0.02 0.00 0.00 57.16 56.99 3a7a n GLU 320 Cb 0.97 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.94 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 -1.26 3.33 0.22 3.49 3.00 -1.23 -4.86 117.38 120.06 3a7a n GLN 321 Ca 0.05 -4.04 -0.12 0.00 -0.01 0.00 0.00 57.00 52.88 3a7a n GLN 321 Cb 0.08 -2.19 -0.07 0.00 0.00 0.00 0.00 30.24 28.07 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 2.01 -0.59 -0.75 -1.09 4.81 -1.65 -2.85 114.58 114.47 3a7a h GLU 322 Ca 0.32 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.76 3a7a h GLU 322 Cb 1.46 0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.84 3a7a h GLU 322 CO 0.66 -0.30 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.38 3a7a h LYS 323 N -1.03 0.07 0.00 1.92 3.64 -1.89 0.14 116.57 119.43 3a7a h LYS 323 Ca -0.06 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 3a7a h LYS 323 Cb 0.57 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3a7a h LYS 323 CO 0.10 0.05 -0.65 0.93 -2.27 0.00 0.00 179.45 177.61 3a7a h GLU 324 N 0.07 0.00 -0.18 1.90 3.07 -1.96 -3.11 114.58 114.37 3a7a h GLU 324 Ca 0.40 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.16 3a7a h GLU 324 Cb 0.69 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3a7a h GLU 324 CO -0.69 0.65 -0.32 -0.07 -1.40 0.00 0.00 179.01 177.18 3a7a h LEU 325 N 0.00 0.36 0.61 1.33 3.38 -0.50 -1.38 115.31 119.11 3a7a h LEU 325 Ca -0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3a7a h LEU 325 Cb 1.18 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.84 3a7a h LEU 325 CO 0.08 0.67 -0.29 0.03 0.09 0.00 0.00 178.44 179.03 3a7a h ARG 326 N 0.31 -0.79 -1.29 1.13 -0.00 -1.34 0.27 114.38 112.68 3a7a h ARG 326 Ca 0.04 0.05 0.38 0.00 -0.50 0.00 0.00 59.98 59.95 3a7a h ARG 326 Cb 0.73 0.18 -0.08 0.00 0.00 0.00 0.00 29.97 30.79 3a7a h ARG 326 CO 0.06 -0.48 0.88 0.93 0.00 0.00 0.00 179.97 181.36 3a7a h GLU 327 N -0.95 0.12 0.06 0.04 5.08 -1.44 0.47 114.58 117.96 3a7a h GLU 327 Ca -0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3a7a h GLU 327 Cb 0.67 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3a7a h GLU 327 CO 0.14 0.08 -0.03 1.25 -1.00 0.00 0.00 179.01 179.45 3a7a h LEU 328 N 0.12 -0.07 -0.26 1.33 5.85 -0.91 -2.69 115.31 118.68 3a7a h LEU 328 Ca 0.68 -0.55 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3a7a h LEU 328 Cb 2.35 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 43.37 3a7a h LEU 328 CO -0.18 0.58 0.08 -1.28 -0.34 0.00 0.00 178.44 177.30 3a7a h SER 329 N -0.80 0.07 -0.59 1.25 0.87 0.13 0.21 113.55 114.70 3a7a h SER 329 Ca -0.01 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.65 3a7a h SER 329 Cb 0.62 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.55 3a7a h SER 329 CO 0.01 0.08 0.28 0.00 -0.53 0.00 0.00 176.83 176.67 3a7a h ALA 330 N 1.17 0.77 0.50 6.23 0.00 -0.32 -1.34 119.26 126.27 3a7a h ALA 330 Ca 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3a7a h ALA 330 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3a7a h ALA 330 CO -0.13 -0.10 -0.24 2.35 0.00 0.00 0.00 179.25 181.13 3a7a h TRP 331 N 0.51 -0.63 -0.67 0.00 7.01 -1.09 -2.80 115.95 118.28 3a7a h TRP 331 Ca 0.28 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.32 3a7a h TRP 331 Cb 0.25 0.21 -0.08 0.00 -2.10 0.00 0.00 29.16 27.43 3a7a h TRP 331 CO -0.12 -0.31 -0.40 -1.33 -2.79 0.00 0.00 178.44 173.50 3a7a n MET 332 N -5.26 -0.30 -0.07 2.65 2.81 0.69 0.23 117.12 117.88 3a7a n MET 332 Ca -0.10 1.31 -0.06 0.00 -1.81 0.00 0.00 57.70 57.04 3a7a n MET 332 Cb 0.31 -1.94 -0.04 0.00 -0.71 0.00 0.00 33.22 30.84 3a7a n MET 332 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3a7a h ALA 333 N 0.04 -0.47 -0.02 3.04 0.00 -1.31 0.30 119.26 120.84 3a7a h ALA 333 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3a7a h ALA 333 Cb 0.28 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3a7a h ALA 333 CO -0.63 -0.58 0.25 0.78 0.00 0.00 0.00 179.25 179.06 3a7a h GLY 334 N -0.15 0.00 1.50 0.00 0.00 -1.13 0.13 103.07 103.43 3a7a h GLY 334 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.14 3a7a h GLY 334 CO -0.26 0.00 -0.93 0.00 0.00 0.00 0.00 176.54 175.35 3a7a h ALA 335 N 1.53 0.35 -0.00 3.60 0.00 0.36 -3.28 119.26 121.82 3a7a h ALA 335 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3a7a h ALA 335 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3a7a h ALA 335 CO -0.00 0.79 -0.83 1.33 0.00 0.00 0.00 179.25 180.54 3a7a n VAL 336 N -3.77 0.00 0.00 0.00 0.24 -0.36 -5.08 118.33 109.37 3a7a n VAL 336 Ca -0.07 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3a7a n VAL 336 Cb 0.83 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.24 3a7a n VAL 336 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55