#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uae n ASP 2 N 0.00 1.28 -4.21 6.12 9.92 -0.82 -4.05 116.55 124.79 1uae n ASP 2 Ca 0.00 0.85 -0.15 0.00 -0.53 0.00 0.00 54.79 54.95 1uae n ASP 2 Cb 0.00 -1.44 -0.11 0.00 -0.64 0.00 0.00 41.12 38.93 1uae n ASP 2 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1uae s LYS 3 N -2.83 0.94 -0.19 -1.24 1.02 0.22 -2.18 119.74 115.48 1uae s LYS 3 Ca 0.76 -1.24 -0.09 0.00 0.02 0.00 0.00 55.97 55.42 1uae s LYS 3 Cb -0.42 -0.66 -0.05 0.00 -0.52 0.00 0.00 37.83 36.18 1uae s LYS 3 CO 0.47 0.11 0.12 -0.06 -0.92 0.00 0.00 175.35 175.07 1uae s PHE 4 N -2.51 3.41 -0.29 3.18 0.08 0.00 -0.43 117.98 121.42 1uae s PHE 4 Ca 0.09 0.32 -0.11 0.00 0.12 0.00 0.00 56.93 57.35 1uae s PHE 4 Cb -0.02 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1uae s PHE 4 CO 0.01 0.32 0.18 0.50 -0.10 0.00 0.00 175.22 176.13 1uae s ARG 5 N 0.21 3.73 -0.05 0.44 3.52 0.11 0.16 118.95 127.07 1uae s ARG 5 Ca 0.08 -0.46 0.06 0.00 -0.13 0.00 0.00 55.73 55.28 1uae s ARG 5 Cb -0.11 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 1uae s ARG 5 CO -0.01 -0.26 -0.21 0.08 -0.81 0.00 0.00 175.30 174.08 1uae s VAL 6 N 1.71 2.42 -0.18 7.11 1.01 0.83 0.08 120.40 133.38 1uae s VAL 6 Ca 0.06 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1uae s VAL 6 Cb -0.16 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1uae s VAL 6 CO 0.09 0.58 -0.20 -1.10 0.00 0.00 0.00 175.10 174.47 1uae s GLN 7 N -0.47 3.00 0.41 2.72 -1.52 -0.26 -0.28 119.66 123.26 1uae s GLN 7 Ca 0.06 -0.82 0.03 0.00 -1.95 0.00 0.00 55.36 52.68 1uae s GLN 7 Cb -0.11 -2.58 -0.03 0.00 -0.22 0.00 0.00 33.01 30.06 1uae s GLN 7 CO 0.01 -0.21 0.10 0.20 -0.25 0.00 0.00 175.29 175.14 1uae s GLY 8 N 1.29 2.60 0.33 3.09 0.00 0.35 -4.26 107.32 110.72 1uae s GLY 8 Ca 0.05 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 1uae s GLY 8 CO -0.13 -1.89 0.71 2.56 0.00 0.00 0.00 173.10 174.35 1uae s PRO 9 N -3.76 3.88 -0.01 2.90 0.04 -0.80 -0.89 135.00 136.36 1uae s PRO 9 Ca 0.23 0.51 0.01 0.00 0.04 0.00 0.00 61.00 61.79 1uae s PRO 9 Cb 0.03 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 32.12 1uae s PRO 9 CO 0.13 0.13 -0.01 0.99 0.04 0.00 0.00 177.00 178.27 1uae s THR 10 N -2.08 0.18 0.09 1.26 2.01 0.75 -4.98 115.64 112.88 1uae s THR 10 Ca 0.52 -0.02 -0.17 0.00 0.31 0.00 0.00 61.69 62.33 1uae s THR 10 Cb -0.10 -0.21 -0.07 0.00 0.01 0.00 0.00 72.50 72.13 1uae s THR 10 CO 0.23 0.09 0.54 -0.75 -0.69 0.00 0.00 174.62 174.04 1uae s LYS 11 N 0.39 4.07 -0.28 4.92 2.20 -1.26 -4.43 119.74 125.35 1uae s LYS 11 Ca -0.04 0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 56.10 1uae s LYS 11 Cb -0.06 -3.11 -0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1uae s LYS 11 CO -0.01 0.58 0.08 -0.51 -0.36 0.00 0.00 175.35 175.13 1uae s LEU 12 N -1.45 3.73 -0.03 5.43 1.43 -1.26 -4.59 118.68 121.94 1uae s LEU 12 Ca 0.32 -0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1uae s LEU 12 Cb -0.17 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.16 1uae s LEU 12 CO 0.18 -0.15 0.14 -1.58 0.23 0.00 0.00 176.35 175.17 1uae s GLN 13 N 1.54 0.29 0.00 1.70 2.00 -0.59 -3.51 119.66 121.09 1uae s GLN 13 Ca 0.04 -0.04 0.00 0.00 -2.00 0.00 0.00 55.36 53.36 1uae s GLN 13 Cb -0.17 0.13 0.00 0.00 0.80 0.00 0.00 33.01 33.77 1uae s GLN 13 CO 0.03 -0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.17 1uae n GLY 14 N 2.39 0.44 3.29 2.59 0.00 0.34 -4.37 105.19 109.87 1uae n GLY 14 Ca -0.17 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 1uae n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1uae s GLU 15 N -2.00 1.19 -0.01 1.61 -1.05 -1.26 -0.96 118.70 116.22 1uae s GLU 15 Ca 0.00 -1.53 -0.02 0.00 -0.15 0.00 0.00 54.97 53.26 1uae s GLU 15 Cb 0.00 -0.76 -0.00 0.00 -0.44 0.00 0.00 34.13 32.93 1uae s GLU 15 CO 0.00 0.07 0.05 0.54 0.95 0.00 0.00 175.26 176.87 1uae s VAL 16 N -3.24 0.05 -0.23 1.83 0.11 -0.14 -4.81 120.40 113.96 1uae s VAL 16 Ca 0.20 -0.38 -0.08 0.00 -2.93 0.00 0.00 61.98 58.80 1uae s VAL 16 Cb 0.02 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1uae s VAL 16 CO 0.04 -0.21 0.09 -0.89 -3.33 0.00 0.00 175.10 170.80 1uae s THR 17 N -0.63 4.67 0.18 5.04 2.01 -1.26 -0.08 115.64 125.57 1uae s THR 17 Ca -0.07 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 1uae s THR 17 Cb -0.04 -3.16 -0.08 0.00 0.01 0.00 0.00 72.50 69.23 1uae s THR 17 CO 0.00 0.37 1.05 -0.63 -0.69 0.00 0.00 174.62 174.72 1uae s ILE 18 N 1.14 4.00 0.72 1.82 -1.09 0.85 -4.95 121.20 123.68 1uae s ILE 18 Ca 0.05 1.76 -0.09 0.00 -2.23 0.00 0.00 60.65 60.14 1uae s ILE 18 Cb -0.14 -4.12 0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1uae s ILE 18 CO 0.04 0.32 1.06 -0.44 -1.23 0.00 0.00 174.94 174.69 1uae s SER 19 N -0.27 4.93 0.70 3.58 0.01 -1.26 -4.76 113.70 116.62 1uae s SER 19 Ca 0.47 0.69 -0.16 0.00 1.31 0.00 0.00 55.95 58.26 1uae s SER 19 Cb -0.28 -1.37 0.01 0.00 0.21 0.00 0.00 66.02 64.59 1uae s SER 19 CO 0.34 -1.58 1.11 0.61 0.41 0.00 0.00 173.24 174.14 1uae n GLY 20 N -3.01 -0.03 3.68 3.44 0.00 -1.19 0.12 105.19 108.21 1uae n GLY 20 Ca 0.07 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1uae n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae s ALA 21 N -1.69 3.65 0.24 4.61 0.00 0.11 -4.13 121.76 124.55 1uae s ALA 21 Ca 0.77 1.10 -0.15 0.00 0.00 0.00 0.00 51.96 53.68 1uae s ALA 21 Cb -0.36 -3.70 0.29 0.00 0.00 0.00 0.00 23.12 19.35 1uae s ALA 21 CO 0.47 -1.17 1.57 -0.22 0.00 0.00 0.00 175.76 176.41 1uae h LYS 22 N 8.64 -0.03 -0.09 0.00 3.64 -1.89 0.52 116.57 127.35 1uae h LYS 22 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1uae h LYS 22 Cb 1.19 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1uae h LYS 22 CO 0.93 -0.02 0.00 0.09 -2.27 0.00 0.00 179.45 178.18 1uae n ASN 23 N -5.51 0.99 -0.09 4.20 3.02 -1.26 -1.39 115.26 115.22 1uae n ASN 23 Ca 0.11 -1.58 -0.11 0.00 -0.03 0.00 0.00 54.58 52.97 1uae n ASN 23 Cb 0.41 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.43 1uae n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uae n ALA 24 N -0.14 1.61 -0.21 5.41 0.00 -0.78 -4.41 120.51 122.00 1uae n ALA 24 Ca 0.15 -0.88 -0.06 0.00 0.00 0.00 0.00 53.44 52.66 1uae n ALA 24 Cb 0.22 0.01 0.04 0.00 0.00 0.00 0.00 19.45 19.73 1uae n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uae h ALA 25 N 0.30 0.77 0.41 0.00 0.00 -0.75 -2.49 119.26 117.49 1uae h ALA 25 Ca -0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1uae h ALA 25 Cb 1.76 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1uae h ALA 25 CO -0.03 0.16 -0.27 -0.07 0.00 0.00 0.00 179.25 179.05 1uae h LEU 26 N 0.78 -0.68 -1.32 0.00 3.38 -1.45 -0.21 115.31 115.81 1uae h LEU 26 Ca 0.23 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1uae h LEU 26 Cb -0.06 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1uae h LEU 26 CO -0.06 -0.42 -0.05 1.55 0.09 0.00 0.00 178.44 179.54 1uae h PRO 27 N -0.65 0.39 -0.61 1.13 0.13 -1.76 -2.54 132.00 128.08 1uae h PRO 27 Ca -0.04 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1uae h PRO 27 Cb 0.55 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 1uae h PRO 27 CO 0.03 0.46 0.29 0.82 -0.23 0.00 0.00 178.00 179.38 1uae h ILE 28 N 0.38 1.21 -0.45 -3.56 2.04 -1.31 0.53 117.51 116.35 1uae h ILE 28 Ca 0.08 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.39 1uae h ILE 28 Cb 0.34 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1uae h ILE 28 CO 0.01 0.25 0.17 -0.07 0.00 0.00 0.00 178.15 178.52 1uae h LEU 29 N 0.84 0.20 -0.72 1.44 4.07 -0.64 -0.87 115.31 119.63 1uae h LEU 29 Ca 0.21 0.05 -0.12 0.00 0.08 0.00 0.00 57.88 58.10 1uae h LEU 29 Cb 0.12 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1uae h LEU 29 CO -0.03 0.15 -0.28 -0.26 -1.08 0.00 0.00 178.44 176.94 1uae h PHE 30 N 0.36 0.77 -0.37 1.13 0.04 -1.35 -3.04 116.94 114.47 1uae h PHE 30 Ca 0.21 -0.19 0.05 0.00 2.80 0.00 0.00 57.97 60.84 1uae h PHE 30 Cb 0.18 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1uae h PHE 30 CO -0.14 0.88 0.25 0.00 -0.60 0.00 0.00 178.31 178.70 1uae h ALA 31 N 1.11 1.96 0.00 2.45 0.00 -0.45 -1.41 119.26 122.92 1uae h ALA 31 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1uae h ALA 31 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1uae h ALA 31 CO 0.06 -0.02 0.04 0.00 0.00 0.00 0.00 179.25 179.33 1uae h ALA 32 N 1.80 1.03 -0.07 0.00 0.00 -1.05 0.11 119.26 121.07 1uae h ALA 32 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1uae h ALA 32 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1uae h ALA 32 CO -0.03 -0.03 0.12 -0.07 0.00 0.00 0.00 179.25 179.23 1uae h LEU 33 N 0.00 0.00 -1.23 0.00 3.38 -1.37 -1.38 115.31 114.71 1uae h LEU 33 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1uae h LEU 33 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1uae h LEU 33 CO 0.00 0.00 -0.30 -0.07 0.09 0.00 0.00 178.44 178.16 1uae h LEU 34 N 0.00 0.00 -9.43 1.67 3.38 -0.98 -3.47 115.31 106.49 1uae h LEU 34 Ca 0.03 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.47 1uae h LEU 34 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1uae h LEU 34 CO -0.00 0.30 0.76 0.00 0.09 0.00 0.00 178.44 179.59 1uae s ALA 35 N -3.84 3.55 -0.90 1.53 0.00 -0.52 -4.27 121.76 117.30 1uae s ALA 35 Ca -0.01 0.92 0.17 0.00 0.00 0.00 0.00 51.96 53.04 1uae s ALA 35 Cb 0.12 -3.55 0.73 0.00 0.00 0.00 0.00 23.12 20.42 1uae s ALA 35 CO 0.66 -0.76 1.64 0.39 0.00 0.00 0.00 175.76 177.70 1uae n GLU 36 N 4.80 3.94 -4.21 0.00 1.02 0.17 -4.02 120.64 122.34 1uae n GLU 36 Ca 0.12 -2.94 -0.12 0.00 -0.02 0.00 0.00 57.16 54.20 1uae n GLU 36 Cb 0.44 -1.96 -0.10 0.00 -0.02 0.00 0.00 31.44 29.80 1uae n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1uae s GLU 37 N -2.06 1.08 0.67 3.49 2.02 -1.24 -4.76 118.70 117.90 1uae s GLU 37 Ca 0.51 -1.53 -0.17 0.00 0.02 0.00 0.00 54.97 53.80 1uae s GLU 37 Cb 0.35 -0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.58 1uae s GLU 37 CO 0.22 -0.23 1.24 -2.14 0.02 0.00 0.00 175.26 174.37 1uae s PRO 38 N -4.01 2.46 -0.01 0.39 0.02 -1.26 -4.27 135.00 128.32 1uae s PRO 38 Ca 0.27 1.90 0.06 0.00 0.02 0.00 0.00 61.00 63.25 1uae s PRO 38 Cb 0.07 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.72 1uae s PRO 38 CO 0.05 -1.62 -0.19 0.08 -0.33 0.00 0.00 177.00 174.99 1uae s VAL 39 N -1.67 1.51 -0.19 3.83 1.01 0.75 -1.83 120.40 123.81 1uae s VAL 39 Ca 0.78 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1uae s VAL 39 Cb -0.33 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1uae s VAL 39 CO 0.41 0.40 -0.16 -0.70 0.00 0.00 0.00 175.10 175.05 1uae s GLU 40 N -0.51 3.02 -0.34 2.72 2.12 0.11 -0.95 118.70 124.85 1uae s GLU 40 Ca 0.07 -0.82 -0.08 0.00 0.36 0.00 0.00 54.97 54.50 1uae s GLU 40 Cb -0.07 -2.67 0.03 0.00 0.26 0.00 0.00 34.13 31.67 1uae s GLU 40 CO -0.01 -0.23 0.14 0.42 -0.54 0.00 0.00 175.26 175.05 1uae s ILE 41 N 1.32 4.17 0.37 -3.70 1.01 0.62 -0.45 121.20 124.53 1uae s ILE 41 Ca 0.04 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 1uae s ILE 41 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1uae s ILE 41 CO -0.11 -0.14 0.62 -1.10 0.00 0.00 0.00 174.94 174.21 1uae s GLN 42 N 1.49 3.56 -1.01 2.79 -0.21 0.11 -0.62 119.66 125.77 1uae s GLN 42 Ca 0.01 -0.04 -0.06 0.00 0.02 0.00 0.00 55.36 55.29 1uae s GLN 42 Cb -0.19 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.26 1uae s GLN 42 CO 0.04 0.07 0.88 -1.71 -2.12 0.00 0.00 175.29 172.45 1uae n ASN 43 N -1.61 -4.70 -4.63 5.90 5.15 -1.10 -1.26 115.26 113.01 1uae n ASN 43 Ca -0.02 -0.42 -0.39 0.00 -0.60 0.00 0.00 54.58 53.15 1uae n ASN 43 Cb 0.55 -3.98 -0.09 0.00 -0.53 0.00 0.00 39.78 35.74 1uae n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1uae s VAL 44 N -3.25 5.19 0.57 3.44 1.01 -0.87 -3.20 120.40 123.29 1uae s VAL 44 Ca 0.36 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 1uae s VAL 44 Cb -0.16 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1uae s VAL 44 CO 0.56 0.20 1.19 -2.16 0.00 0.00 0.00 175.10 174.89 1uae s PRO 45 N 1.77 3.13 -0.84 2.72 0.04 -1.26 -4.83 135.00 135.72 1uae s PRO 45 Ca 0.16 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 1uae s PRO 45 Cb -0.15 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.46 1uae s PRO 45 CO 0.09 -1.07 1.24 0.15 0.04 0.00 0.00 177.00 177.44 1uae s LYS 46 N -3.26 3.36 0.08 4.56 1.02 -1.26 -4.85 119.74 119.39 1uae s LYS 46 Ca 0.75 -0.89 0.06 0.00 0.02 0.00 0.00 55.97 55.92 1uae s LYS 46 Cb -0.29 -4.67 -0.03 0.00 -0.52 0.00 0.00 37.83 32.32 1uae s LYS 46 CO 0.32 -2.03 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.04 1uae s LEU 47 N 4.64 2.29 0.23 3.17 1.43 -1.26 -4.25 118.68 124.93 1uae s LEU 47 Ca 0.35 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 1uae s LEU 47 Cb -0.07 -0.63 0.37 0.00 0.03 0.00 0.00 46.19 45.89 1uae s LEU 47 CO 0.02 -0.04 1.69 0.50 0.23 0.00 0.00 176.35 178.76 1uae h LYS 48 N 4.20 0.25 -0.60 1.70 1.63 -1.37 -0.97 116.57 121.42 1uae h LYS 48 Ca -0.42 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.40 1uae h LYS 48 Cb 1.19 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 1uae h LYS 48 CO 0.40 0.16 0.39 -0.44 -3.45 0.00 0.00 179.45 176.52 1uae h ASP 49 N 0.26 0.57 -0.02 4.20 5.19 -1.79 -0.78 116.42 124.05 1uae h ASP 49 Ca 0.36 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1uae h ASP 49 Cb 0.58 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 1uae h ASP 49 CO -0.46 0.39 -0.01 0.58 -3.12 0.00 0.00 179.24 176.62 1uae h VAL 50 N 0.66 1.29 -0.34 -1.35 2.07 -1.66 -0.14 116.25 116.79 1uae h VAL 50 Ca 0.24 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1uae h VAL 50 Cb 0.15 1.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.68 1uae h VAL 50 CO -0.07 0.23 -0.21 -0.78 0.02 0.00 0.00 177.57 176.77 1uae h ASP 51 N -0.31 -0.69 -0.84 0.57 3.58 -0.80 -0.33 116.42 117.60 1uae h ASP 51 Ca 0.01 0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.66 1uae h ASP 51 Cb 0.38 0.36 -0.06 0.00 1.72 0.00 0.00 39.33 41.73 1uae h ASP 51 CO 0.00 -0.24 0.52 0.74 -2.88 0.00 0.00 179.24 177.38 1uae h THR 52 N -0.16 1.04 -0.56 2.25 2.02 -1.16 -2.07 112.91 114.26 1uae h THR 52 Ca 0.17 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1uae h THR 52 Cb 0.43 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1uae h THR 52 CO -0.44 0.17 0.23 0.28 0.37 0.00 0.00 175.52 176.13 1uae h SER 53 N 0.96 0.77 -0.89 4.18 0.02 -0.40 0.41 113.55 118.60 1uae h SER 53 Ca 0.37 -0.17 0.10 0.00 -0.84 0.00 0.00 61.79 61.25 1uae h SER 53 Cb 0.16 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.43 1uae h SER 53 CO -0.17 0.72 0.53 0.24 -1.14 0.00 0.00 176.83 177.02 1uae h MET 54 N 0.77 0.85 -0.50 3.45 2.07 -0.87 0.42 114.93 121.12 1uae h MET 54 Ca 0.19 -0.05 -0.08 0.00 -2.07 0.00 0.00 59.70 57.69 1uae h MET 54 Cb 0.19 -0.19 -0.02 0.00 -1.87 0.00 0.00 31.60 29.71 1uae h MET 54 CO -0.02 0.56 0.01 0.87 1.07 0.00 0.00 176.91 179.41 1uae h LYS 55 N 0.88 0.87 0.12 1.72 1.57 -1.06 -0.56 116.57 120.11 1uae h LYS 55 Ca 0.43 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1uae h LYS 55 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1uae h LYS 55 CO -0.25 0.90 -0.10 1.25 -0.57 0.00 0.00 179.45 180.68 1uae h LEU 56 N 0.74 -0.26 -0.62 2.94 6.46 -0.61 -0.67 115.31 123.29 1uae h LEU 56 Ca 0.14 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 58.03 1uae h LEU 56 Cb 0.50 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.44 1uae h LEU 56 CO 0.02 -0.16 0.21 -0.07 -0.62 0.00 0.00 178.44 177.82 1uae h LEU 57 N -0.23 0.17 -0.81 2.25 4.07 -0.03 -2.10 115.31 118.62 1uae h LEU 57 Ca -0.00 0.09 0.03 0.00 0.08 0.00 0.00 57.88 58.08 1uae h LEU 57 Cb 0.21 0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.00 1uae h LEU 57 CO -0.02 0.09 0.52 -1.28 -1.08 0.00 0.00 178.44 176.68 1uae h SER 58 N 0.37 0.86 0.48 -0.43 0.87 -0.97 -1.47 113.55 113.26 1uae h SER 58 Ca 0.32 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1uae h SER 58 Cb 0.44 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1uae h SER 58 CO -0.35 0.59 -0.02 1.56 -0.53 0.00 0.00 176.83 178.09 1uae h GLN 59 N 1.01 0.00 0.00 2.24 4.20 -0.47 -1.15 115.11 120.94 1uae h GLN 59 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1uae h GLN 59 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1uae h GLN 59 CO -0.11 0.02 0.00 1.28 -0.67 0.00 0.00 178.83 179.34 1uae n LEU 60 N -3.16 0.00 0.00 1.46 4.77 -0.82 -4.73 117.00 114.53 1uae n LEU 60 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1uae n LEU 60 Cb 0.19 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1uae n LEU 60 CO 0.24 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1uae n GLY 61 N 1.07 0.80 3.83 -0.72 0.00 -0.43 -0.97 105.19 108.77 1uae n GLY 61 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1uae n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae s ALA 62 N -2.00 3.00 -0.28 4.61 0.00 -0.62 -3.62 121.76 122.85 1uae s ALA 62 Ca 0.00 0.32 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 1uae s ALA 62 Cb 0.00 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1uae s ALA 62 CO 0.00 -0.19 0.41 0.15 0.00 0.00 0.00 175.76 176.13 1uae s LYS 63 N -3.69 3.95 -0.01 0.00 3.01 -0.01 -4.09 119.74 118.92 1uae s LYS 63 Ca 0.61 0.03 0.02 0.00 -1.01 0.00 0.00 55.97 55.63 1uae s LYS 63 Cb -0.11 -3.68 -0.00 0.00 -1.01 0.00 0.00 37.83 33.03 1uae s LYS 63 CO 0.25 -0.34 -0.07 0.08 0.51 0.00 0.00 175.35 175.78 1uae s VAL 64 N 2.13 0.56 -0.08 3.17 1.01 -1.26 -0.03 120.40 125.90 1uae s VAL 64 Ca 0.16 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 1uae s VAL 64 Cb -0.16 -0.48 0.04 0.00 0.00 0.00 0.00 36.38 35.79 1uae s VAL 64 CO 0.10 0.16 0.46 -0.70 0.00 0.00 0.00 175.10 175.13 1uae s GLU 65 N -0.13 0.73 0.06 2.72 2.12 -0.13 -5.01 118.70 119.07 1uae s GLU 65 Ca 0.02 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.58 1uae s GLU 65 Cb -0.03 0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 1uae s GLU 65 CO -0.00 -0.18 -0.04 -0.98 -0.54 0.00 0.00 175.26 173.51 1uae s ARG 66 N -0.74 0.66 0.00 4.30 1.70 -1.26 0.40 118.95 124.00 1uae s ARG 66 Ca -0.08 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 53.99 1uae s ARG 66 Cb -0.03 0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 1uae s ARG 66 CO 0.04 -0.07 0.00 -1.71 -1.08 0.00 0.00 175.30 172.48 1uae n ASN 67 N 0.23 0.00 0.09 -2.89 2.85 -1.26 -4.94 115.26 109.34 1uae n ASN 67 Ca -0.15 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.28 1uae n ASN 67 Cb 0.60 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 1uae n ASN 67 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1uae h GLY 68 N 0.00 0.00 -4.26 8.20 0.00 -1.96 -3.45 103.07 101.60 1uae h GLY 68 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1uae h GLY 68 CO 0.00 0.00 -0.53 -0.56 0.00 0.00 0.00 176.54 175.45 1uae s SER 69 N -6.76 5.93 -0.23 0.19 0.01 -1.26 -2.05 113.70 109.52 1uae s SER 69 Ca 0.00 0.06 -0.10 0.00 1.31 0.00 0.00 55.95 57.22 1uae s SER 69 Cb 0.11 -1.69 -0.05 0.00 0.21 0.00 0.00 66.02 64.60 1uae s SER 69 CO 0.79 0.10 0.14 -0.69 0.41 0.00 0.00 173.24 174.00 1uae s VAL 70 N -1.63 5.20 -0.21 3.43 1.01 0.21 -4.29 120.40 124.12 1uae s VAL 70 Ca 0.32 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 1uae s VAL 70 Cb -0.11 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1uae s VAL 70 CO 0.25 0.36 0.25 -1.00 0.00 0.00 0.00 175.10 174.97 1uae s HIS 71 N 0.99 3.36 -0.13 5.22 3.76 0.16 -0.28 115.29 128.37 1uae s HIS 71 Ca 0.07 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1uae s HIS 71 Cb -0.13 -2.35 0.02 0.00 1.11 0.00 0.00 32.58 31.23 1uae s HIS 71 CO 0.04 0.09 -0.12 0.42 -0.85 0.00 0.00 174.74 174.31 1uae s ILE 72 N 0.99 1.39 -0.43 0.60 1.01 -0.13 -0.95 121.20 123.68 1uae s ILE 72 Ca 0.12 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 1uae s ILE 72 Cb -0.14 -1.33 0.08 0.00 0.01 0.00 0.00 42.46 41.09 1uae s ILE 72 CO 0.05 0.43 0.30 -0.62 0.00 0.00 0.00 174.94 175.09 1uae s ASP 73 N 1.48 5.75 0.00 3.58 -1.08 0.96 -0.18 116.67 127.18 1uae s ASP 73 Ca 0.03 -1.51 0.23 0.00 -0.52 0.00 0.00 52.55 50.78 1uae s ASP 73 Cb -0.13 -2.03 0.47 0.00 -1.46 0.00 0.00 42.92 39.77 1uae s ASP 73 CO -0.09 -0.58 1.42 0.00 0.52 0.00 0.00 175.17 176.45 1uae n ALA 74 N 4.97 2.44 -0.27 3.66 0.00 -1.26 -0.83 120.51 129.23 1uae n ALA 74 Ca -0.10 -0.87 0.17 0.00 0.00 0.00 0.00 53.44 52.64 1uae n ALA 74 Cb 0.43 -0.91 0.46 0.00 0.00 0.00 0.00 19.45 19.42 1uae n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uae h ARG 75 N 4.07 0.50 -0.54 0.00 3.08 -1.86 -2.46 114.38 117.17 1uae h ARG 75 Ca 0.00 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.78 1uae h ARG 75 Cb 0.89 -0.11 -0.14 0.00 0.08 0.00 0.00 29.97 30.69 1uae h ARG 75 CO 0.00 0.33 0.15 -0.25 -1.07 0.00 0.00 179.97 179.13 1uae n ASP 76 N -4.57 3.28 -4.62 7.04 8.00 -1.26 -4.97 116.55 119.45 1uae n ASP 76 Ca 0.20 -3.56 -0.59 0.00 0.71 0.00 0.00 54.79 51.56 1uae n ASP 76 Cb 0.65 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 1uae n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1uae n VAL 77 N -0.92 0.07 -1.27 2.53 0.31 -0.93 -4.73 118.33 113.38 1uae n VAL 77 Ca 0.39 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.71 1uae n VAL 77 Cb 1.21 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 1uae n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1uae n ASN 78 N 3.14 0.00 -4.34 4.52 6.94 -0.14 -4.98 115.26 120.40 1uae n ASN 78 Ca 0.23 -1.00 -0.32 0.00 -0.02 0.00 0.00 54.58 53.47 1uae n ASN 78 Cb 0.09 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.36 1uae n ASN 78 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1uae s VAL 79 N 0.00 2.66 -1.22 3.53 1.01 -0.54 -5.02 120.40 120.83 1uae s VAL 79 Ca 0.00 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.25 1uae s VAL 79 Cb 0.00 -2.06 0.08 0.00 0.00 0.00 0.00 36.38 34.40 1uae s VAL 79 CO 0.00 0.55 0.81 0.49 0.00 0.00 0.00 175.10 176.95 1uae n PHE 80 N 3.18 0.00 -3.46 5.22 3.72 -1.26 -4.67 117.46 120.19 1uae n PHE 80 Ca -0.18 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.80 1uae n PHE 80 Cb 0.52 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.97 1uae n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uae s ALA 82 N 1.72 3.21 -0.14 0.00 0.00 0.49 -4.92 121.76 122.13 1uae s ALA 82 Ca 0.06 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.63 1uae s ALA 82 Cb -0.19 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1uae s ALA 82 CO 0.10 -0.37 1.75 -1.25 0.00 0.00 0.00 175.76 175.99 1uae s PRO 83 N -2.12 3.87 0.30 0.00 0.04 -1.26 -4.76 135.00 131.07 1uae s PRO 83 Ca 0.54 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.62 1uae s PRO 83 Cb -0.29 -4.08 0.74 0.00 0.04 0.00 0.00 34.50 30.91 1uae s PRO 83 CO 0.37 -1.22 1.78 0.10 0.04 0.00 0.00 177.00 178.07 1uae h TYR 84 N 10.89 1.07 -0.24 0.56 -0.00 -1.97 -1.34 116.97 125.94 1uae h TYR 84 Ca -0.38 0.03 -0.04 0.00 -0.00 0.00 0.00 58.73 58.34 1uae h TYR 84 Cb 1.18 -0.32 -0.01 0.00 -0.00 0.00 0.00 36.73 37.57 1uae h TYR 84 CO 0.91 0.24 -0.03 0.38 -0.00 0.00 0.00 178.16 179.67 1uae h ASP 85 N 0.77 0.34 0.13 0.10 2.03 -2.01 -1.36 116.42 116.42 1uae h ASP 85 Ca 0.58 -0.06 -0.25 0.00 -0.73 0.00 0.00 57.03 56.58 1uae h ASP 85 Cb 0.89 -0.09 0.03 0.00 -0.83 0.00 0.00 39.33 39.33 1uae h ASP 85 CO -0.38 0.42 -1.04 -0.07 -1.03 0.00 0.00 179.24 177.15 1uae h LEU 86 N 0.36 0.69 -1.26 0.15 3.38 -1.74 -3.36 115.31 113.53 1uae h LEU 86 Ca 0.08 -0.87 0.04 0.00 0.09 0.00 0.00 57.88 57.22 1uae h LEU 86 Cb 0.29 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1uae h LEU 86 CO 0.01 1.49 0.52 0.58 0.09 0.00 0.00 178.44 181.13 1uae h VAL 87 N -0.01 1.11 0.00 1.22 2.07 -0.85 -2.69 116.25 117.10 1uae h VAL 87 Ca -0.17 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1uae h VAL 87 Cb 1.77 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1uae h VAL 87 CO 0.20 0.17 0.00 0.29 0.02 0.00 0.00 177.57 178.25 1uae n LYS 88 N -4.46 0.07 0.00 1.57 4.76 -0.55 -2.63 118.16 116.93 1uae n LYS 88 Ca 0.10 0.30 0.14 0.00 -2.87 0.00 0.00 58.31 55.99 1uae n LYS 88 Cb 0.13 -1.63 0.58 0.00 -1.84 0.00 0.00 35.03 32.27 1uae n LYS 88 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1uae n THR 89 N -1.77 0.00 -3.53 -0.18 -2.24 -1.02 -2.98 114.28 102.58 1uae n THR 89 Ca 0.03 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1uae n THR 89 Cb 0.20 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1uae n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uae s MET 90 N -2.18 1.19 0.20 -0.78 0.23 -1.22 -4.08 119.30 112.65 1uae s MET 90 Ca 0.35 -0.50 -0.01 0.00 -1.03 0.00 0.00 55.69 54.50 1uae s MET 90 Cb 0.21 0.51 0.13 0.00 -1.53 0.00 0.00 34.83 34.15 1uae s MET 90 CO 0.40 -0.53 1.50 -0.09 -2.03 0.00 0.00 175.02 174.28 1uae h ARG 91 N 2.00 0.46 0.00 3.16 9.65 -1.73 -0.70 114.38 127.22 1uae h ARG 91 Ca -0.28 -0.31 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 1uae h ARG 91 Cb 1.28 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1uae h ARG 91 CO 0.33 0.92 0.00 0.00 2.80 0.00 0.00 179.97 184.02 1uae h ALA 92 N 1.01 1.00 -0.31 2.80 0.00 -1.91 -2.70 119.26 119.14 1uae h ALA 92 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1uae h ALA 92 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1uae h ALA 92 CO 0.11 0.00 0.34 0.66 0.00 0.00 0.00 179.25 180.35 1uae h SER 93 N 0.00 0.00 -0.53 0.00 4.64 -1.85 -0.48 113.55 115.33 1uae h SER 93 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1uae h SER 93 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1uae h SER 93 CO 0.00 0.00 0.37 -0.29 -0.87 0.00 0.00 176.83 176.04 1uae h ILE 94 N 0.00 0.78 0.00 0.95 6.09 -1.79 -1.08 117.51 122.46 1uae h ILE 94 Ca 0.15 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.60 1uae h ILE 94 Cb 0.82 0.67 0.00 0.00 0.47 0.00 0.00 36.82 38.78 1uae h ILE 94 CO -0.00 0.02 0.00 0.79 -3.07 0.00 0.00 178.15 175.89 1uae n TRP 95 N -4.41 0.00 0.26 2.19 8.01 -0.19 -2.04 117.44 121.25 1uae n TRP 95 Ca 0.09 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.42 1uae n TRP 95 Cb 0.53 -0.43 0.67 0.00 -2.01 0.00 0.00 31.31 30.07 1uae n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1uae h ALA 96 N 2.59 1.11 0.43 6.99 0.00 -1.38 -3.38 119.26 125.63 1uae h ALA 96 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1uae h ALA 96 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1uae h ALA 96 CO 0.00 0.15 -0.21 1.25 0.00 0.00 0.00 179.25 180.45 1uae h LEU 97 N 0.00 -0.49 -0.77 0.00 5.85 -1.61 -2.82 115.31 115.47 1uae h LEU 97 Ca -0.00 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.71 1uae h LEU 97 Cb 0.48 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.53 1uae h LEU 97 CO 0.02 -0.08 -0.55 1.23 -0.34 0.00 0.00 178.44 178.71 1uae h GLY 98 N -1.01 -0.80 1.20 3.75 0.00 -1.76 -1.21 103.07 103.24 1uae h GLY 98 Ca -0.06 0.73 -0.02 0.00 0.00 0.00 0.00 47.33 47.98 1uae h GLY 98 CO 0.10 -0.04 0.37 -2.55 0.00 0.00 0.00 176.54 174.41 1uae h PRO 99 N -0.15 1.04 -0.42 4.80 0.11 -1.75 0.29 132.00 135.92 1uae h PRO 99 Ca 0.15 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1uae h PRO 99 Cb 0.50 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1uae h PRO 99 CO -0.81 0.79 0.20 -0.07 -0.21 0.00 0.00 178.00 177.91 1uae h LEU 100 N 1.04 0.56 -0.22 2.35 3.38 -1.23 0.11 115.31 121.29 1uae h LEU 100 Ca 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1uae h LEU 100 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1uae h LEU 100 CO -0.04 0.53 0.09 0.58 0.09 0.00 0.00 178.44 179.69 1uae h VAL 101 N 0.54 1.17 -0.52 1.22 2.07 -0.97 0.53 116.25 120.29 1uae h VAL 101 Ca 0.15 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1uae h VAL 101 Cb 0.12 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1uae h VAL 101 CO -0.02 0.17 0.17 0.00 0.02 0.00 0.00 177.57 177.91 1uae h ALA 102 N 0.92 1.31 0.06 1.67 0.00 -0.20 -0.21 119.26 122.83 1uae h ALA 102 Ca 0.07 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 1uae h ALA 102 Cb 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1uae h ALA 102 CO -0.01 0.50 -1.99 -2.13 0.00 0.00 0.00 179.25 175.62 1uae n ARG 103 N -4.31 0.70 0.00 0.00 0.63 0.01 -4.56 116.66 109.13 1uae n ARG 103 Ca 0.04 0.24 0.05 0.00 -0.92 0.00 0.00 57.85 57.26 1uae n ARG 103 Cb 0.19 -1.70 -0.04 0.00 0.45 0.00 0.00 32.46 31.36 1uae n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1uae n PHE 104 N -3.27 0.00 -0.45 -0.14 3.72 0.16 -5.00 117.46 112.48 1uae n PHE 104 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1uae n PHE 104 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1uae n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uae n GLY 105 N 1.17 1.74 3.32 1.37 0.00 -0.09 -4.98 105.19 107.72 1uae n GLY 105 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1uae n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uae s GLN 106 N -0.13 1.02 -0.15 1.61 -2.07 -1.24 -1.30 119.66 117.40 1uae s GLN 106 Ca 0.00 -0.58 -0.30 0.00 -1.82 0.00 0.00 55.36 52.66 1uae s GLN 106 Cb 0.00 0.45 0.12 0.00 -1.09 0.00 0.00 33.01 32.49 1uae s GLN 106 CO 0.00 -0.38 0.97 0.20 -1.32 0.00 0.00 175.29 174.75 1uae s GLY 107 N -2.52 -0.29 -0.14 2.60 0.00 -0.14 -3.47 107.32 103.36 1uae s GLY 107 Ca -0.00 1.97 -0.01 0.00 0.00 0.00 0.00 44.72 46.68 1uae s GLY 107 CO -0.09 1.04 -0.02 1.20 0.00 0.00 0.00 173.10 175.23 1uae s GLN 108 N -1.09 1.01 -0.08 2.90 1.11 0.08 -0.74 119.66 122.84 1uae s GLN 108 Ca -0.03 -0.29 0.00 0.00 0.01 0.00 0.00 55.36 55.06 1uae s GLN 108 Cb -0.00 -1.70 0.02 0.00 -1.01 0.00 0.00 33.01 30.32 1uae s GLN 108 CO 0.02 -0.43 -0.07 0.08 0.01 0.00 0.00 175.29 174.90 1uae s VAL 109 N 1.79 0.86 1.10 1.09 1.01 -0.55 -0.38 120.40 125.32 1uae s VAL 109 Ca 0.02 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 1uae s VAL 109 Cb -0.15 -0.87 0.24 0.00 0.00 0.00 0.00 36.38 35.61 1uae s VAL 109 CO -0.07 0.32 1.07 -0.94 0.00 0.00 0.00 175.10 175.48 1uae s SER 110 N 1.30 1.70 0.32 3.32 1.04 -1.26 0.09 113.70 120.20 1uae s SER 110 Ca -0.04 1.16 -0.29 0.00 0.48 0.00 0.00 55.95 57.27 1uae s SER 110 Cb -0.14 -1.80 -0.10 0.00 0.10 0.00 0.00 66.02 64.08 1uae s SER 110 CO -0.03 -3.71 1.25 -0.76 0.98 0.00 0.00 173.24 170.97 1uae s LEU 111 N -6.82 4.45 0.76 2.42 1.43 -1.17 -4.74 118.68 115.01 1uae s LEU 111 Ca 0.67 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 56.23 1uae s LEU 111 Cb -0.19 -3.66 0.05 0.00 0.03 0.00 0.00 46.19 42.42 1uae s LEU 111 CO 0.59 -0.44 1.08 -2.16 0.23 0.00 0.00 176.35 175.65 1uae s PRO 112 N -1.73 2.39 0.00 1.29 0.04 -1.26 -4.53 135.00 131.20 1uae s PRO 112 Ca 0.48 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1uae s PRO 112 Cb -0.37 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1uae s PRO 112 CO 0.49 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1uae n GLY 113 N -1.50 0.59 0.00 0.56 0.00 -0.27 -4.92 105.19 99.64 1uae n GLY 113 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1uae n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uae n GLY 114 N 5.00 -2.16 3.68 -0.02 0.00 -1.23 -2.11 105.19 108.34 1uae n GLY 114 Ca 0.00 -2.08 -0.57 0.00 0.00 0.00 0.00 46.02 43.37 1uae n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae n THR 116 N 4.02 2.05 -0.51 0.00 -2.24 -1.26 -4.38 114.28 111.96 1uae n THR 116 Ca 0.25 -0.80 0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1uae n THR 116 Cb 0.12 -1.65 0.30 0.00 -2.10 0.00 0.00 70.33 67.01 1uae n THR 116 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1uae n ILE 117 N 2.04 1.52 0.00 2.28 -5.35 -1.26 -4.92 119.36 113.67 1uae n ILE 117 Ca 0.16 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 1uae n ILE 117 Cb 0.58 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 1uae n ILE 117 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uae n GLY 118 N 0.98 -0.39 0.24 3.28 0.00 -1.26 -0.91 105.19 107.13 1uae n GLY 118 Ca 0.22 -1.02 0.08 0.00 0.00 0.00 0.00 46.02 45.30 1uae n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae h ALA 119 N 0.00 1.62 -6.66 4.61 0.00 -1.96 -3.48 119.26 113.40 1uae h ALA 119 Ca 0.00 -0.13 -0.51 0.00 0.00 0.00 0.00 54.91 54.27 1uae h ALA 119 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1uae h ALA 119 CO 0.00 0.18 -0.97 0.54 0.00 0.00 0.00 179.25 178.99 1uae n ARG 120 N -4.16 -0.80 -0.85 0.00 1.74 -1.26 -4.95 116.66 106.38 1uae n ARG 120 Ca -0.02 0.37 -0.29 0.00 -0.77 0.00 0.00 57.85 57.14 1uae n ARG 120 Cb 0.22 -2.98 0.19 0.00 -1.02 0.00 0.00 32.46 28.87 1uae n ARG 120 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1uae s PRO 121 N -6.36 0.23 -0.11 5.56 0.04 -1.26 -4.99 135.00 128.11 1uae s PRO 121 Ca 0.36 0.92 0.15 0.00 0.04 0.00 0.00 61.00 62.48 1uae s PRO 121 Cb -0.18 -1.68 0.23 0.00 0.04 0.00 0.00 34.50 32.91 1uae s PRO 121 CO 0.92 -2.97 1.12 1.33 0.04 0.00 0.00 177.00 177.44 1uae n VAL 122 N -4.40 1.55 0.06 -0.36 0.24 -1.26 -4.82 118.33 109.34 1uae n VAL 122 Ca 0.06 -1.86 0.14 0.00 -2.04 0.00 0.00 64.34 60.64 1uae n VAL 122 Cb 0.55 -0.10 0.61 0.00 -1.47 0.00 0.00 33.84 33.43 1uae n VAL 122 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1uae h ASP 123 N 0.00 0.12 1.30 -1.34 2.03 -1.99 -0.64 116.42 115.90 1uae h ASP 123 Ca 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 1uae h ASP 123 Cb 1.05 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.52 1uae h ASP 123 CO 0.00 0.07 -0.45 -0.07 -1.03 0.00 0.00 179.24 177.77 1uae h LEU 124 N 0.13 0.00 -0.17 0.15 3.38 -1.99 0.15 115.31 116.96 1uae h LEU 124 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1uae h LEU 124 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1uae h LEU 124 CO -0.02 0.45 -0.08 0.45 0.09 0.00 0.00 178.44 179.32 1uae h HIS 125 N 0.00 0.41 -0.01 1.13 3.86 -1.49 -1.30 115.15 117.75 1uae h HIS 125 Ca -0.00 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1uae h HIS 125 Cb 1.22 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 1uae h HIS 125 CO 0.00 0.66 0.00 0.82 0.86 0.00 0.00 177.93 180.28 1uae h ILE 126 N 0.04 1.15 -0.45 2.45 2.04 -1.28 -0.71 117.51 120.75 1uae h ILE 126 Ca 0.04 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.52 1uae h ILE 126 Cb 0.55 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 1uae h ILE 126 CO 0.02 0.12 0.02 -1.28 0.00 0.00 0.00 178.15 177.04 1uae h SER 127 N -0.17 -0.14 -0.16 1.72 0.87 -0.79 -0.91 113.55 113.99 1uae h SER 127 Ca 0.00 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 1uae h SER 127 Cb 0.19 0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.27 1uae h SER 127 CO -0.00 -0.04 -0.19 1.23 -0.53 0.00 0.00 176.83 177.31 1uae h GLY 128 N 0.14 -0.12 1.30 5.77 0.00 -1.16 0.29 103.07 109.29 1uae h GLY 128 Ca 0.22 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1uae h GLY 128 CO -0.35 -0.17 0.44 1.41 0.00 0.00 0.00 176.54 177.86 1uae h LEU 129 N -0.22 0.82 -1.09 3.11 3.38 -0.96 -1.04 115.31 119.30 1uae h LEU 129 Ca 0.11 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1uae h LEU 129 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1uae h LEU 129 CO -0.29 0.62 0.12 -0.33 0.09 0.00 0.00 178.44 178.65 1uae h GLU 130 N 0.95 0.77 0.00 1.13 5.08 -0.93 0.10 114.58 121.68 1uae h GLU 130 Ca 0.25 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1uae h GLU 130 Cb -0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1uae h GLU 130 CO -0.05 0.69 -0.25 1.96 -1.00 0.00 0.00 179.01 180.36 1uae h GLN 131 N 0.74 0.00 -0.00 2.33 4.20 -0.05 -1.27 115.11 121.06 1uae h GLN 131 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1uae h GLN 131 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1uae h GLN 131 CO -0.00 0.25 0.00 1.28 -0.67 0.00 0.00 178.83 179.69 1uae n LEU 132 N -3.80 0.24 0.00 1.46 4.77 -0.48 -4.65 117.00 114.55 1uae n LEU 132 Ca -0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1uae n LEU 132 Cb 0.35 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1uae n LEU 132 CO 0.34 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1uae n GLY 133 N 1.03 0.78 3.78 -0.72 0.00 -0.48 -0.83 105.19 108.75 1uae n GLY 133 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1uae n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae s ALA 134 N -2.00 2.99 -0.21 4.61 0.00 -0.02 -4.77 121.76 122.37 1uae s ALA 134 Ca 0.00 0.74 -0.13 0.00 0.00 0.00 0.00 51.96 52.57 1uae s ALA 134 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1uae s ALA 134 CO 0.00 -0.36 0.26 0.99 0.00 0.00 0.00 175.76 176.65 1uae s THR 135 N -1.71 5.30 -0.05 0.00 2.01 0.31 -4.21 115.64 117.29 1uae s THR 135 Ca 0.62 0.43 0.04 0.00 0.31 0.00 0.00 61.69 63.09 1uae s THR 135 Cb -0.22 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1uae s THR 135 CO 0.27 0.34 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.73 1uae s ILE 136 N 0.93 1.49 0.03 1.82 1.01 -1.26 -0.24 121.20 124.98 1uae s ILE 136 Ca 0.13 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1uae s ILE 136 Cb -0.13 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1uae s ILE 136 CO 0.05 0.43 -0.07 -1.59 0.00 0.00 0.00 174.94 173.75 1uae s LYS 137 N 0.13 0.50 -0.32 2.79 -2.85 0.24 -4.98 119.74 115.25 1uae s LYS 137 Ca -0.06 -0.66 -0.15 0.00 -1.00 0.00 0.00 55.97 54.09 1uae s LYS 137 Cb -0.13 -0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 35.33 1uae s LYS 137 CO 0.03 0.06 0.38 -1.17 0.10 0.00 0.00 175.35 174.74 1uae s LEU 138 N -1.34 4.31 -0.16 2.77 2.96 -1.26 0.17 118.68 126.13 1uae s LEU 138 Ca -0.08 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.64 1uae s LEU 138 Cb -0.09 -2.38 0.05 0.00 0.50 0.00 0.00 46.19 44.27 1uae s LEU 138 CO 0.00 -0.30 0.40 -0.70 -1.32 0.00 0.00 176.35 174.43 1uae s GLU 139 N 2.07 0.44 -1.18 1.98 2.12 0.01 -4.83 118.70 119.31 1uae s GLU 139 Ca 0.13 0.63 -0.08 0.00 0.36 0.00 0.00 54.97 56.01 1uae s GLU 139 Cb -0.16 0.15 0.06 0.00 0.26 0.00 0.00 34.13 34.44 1uae s GLU 139 CO 0.11 -0.09 0.39 0.39 -0.54 0.00 0.00 175.26 175.52 1uae n GLU 140 N 3.31 -3.09 -0.16 4.30 1.02 -1.26 -1.00 120.64 123.76 1uae n GLU 140 Ca -0.16 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1uae n GLU 140 Cb 0.57 -5.11 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 1uae n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uae n GLY 141 N -1.07 2.26 3.88 0.62 0.00 -1.26 -5.00 105.19 104.62 1uae n GLY 141 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1uae n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uae s TYR 142 N -3.01 3.48 -0.47 1.61 1.51 -0.17 -3.07 117.35 117.24 1uae s TYR 142 Ca 0.00 0.31 -0.25 0.00 -1.01 0.00 0.00 57.07 56.11 1uae s TYR 142 Cb 0.00 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1uae s TYR 142 CO 0.00 0.62 0.93 0.08 -1.11 0.00 0.00 175.55 176.07 1uae s VAL 143 N -1.32 4.46 -0.27 0.71 1.01 0.11 -0.81 120.40 124.30 1uae s VAL 143 Ca 0.27 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 62.91 1uae s VAL 143 Cb -0.13 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.81 1uae s VAL 143 CO 0.19 -0.86 0.03 -0.54 0.00 0.00 0.00 175.10 173.92 1uae s LYS 144 N 3.78 3.19 -0.00 2.72 1.02 0.13 -1.49 119.74 129.08 1uae s LYS 144 Ca 0.37 -0.77 0.07 0.00 0.02 0.00 0.00 55.97 55.65 1uae s LYS 144 Cb -0.10 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1uae s LYS 144 CO 0.26 -0.35 -0.20 0.00 -0.92 0.00 0.00 175.35 174.14 1uae s ALA 145 N 1.48 2.45 0.09 5.17 0.00 0.08 -0.59 121.76 130.44 1uae s ALA 145 Ca 0.03 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1uae s ALA 145 Cb -0.16 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.26 1uae s ALA 145 CO 0.00 0.55 0.35 -1.54 0.00 0.00 0.00 175.76 175.12 1uae s SER 146 N -0.97 -0.16 -0.13 0.00 1.04 0.66 -0.97 113.70 113.18 1uae s SER 146 Ca 0.12 -0.29 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 1uae s SER 146 Cb -0.10 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.47 1uae s SER 146 CO 0.02 -0.74 0.41 0.54 0.98 0.00 0.00 173.24 174.44 1uae s VAL 147 N -3.29 0.01 -0.40 5.02 0.11 -0.42 0.12 120.40 121.54 1uae s VAL 147 Ca 0.00 -0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 58.74 1uae s VAL 147 Cb 0.01 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1uae s VAL 147 CO -0.08 -0.04 0.86 -0.62 -3.33 0.00 0.00 175.10 171.90 1uae s ASP 148 N -0.05 6.56 0.00 3.54 2.15 -1.26 -4.67 116.67 122.94 1uae s ASP 148 Ca -0.02 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.26 1uae s ASP 148 Cb -0.03 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1uae s ASP 148 CO 0.01 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 1uae n GLY 149 N 4.65 -1.50 3.80 2.66 0.00 -1.26 -4.89 105.19 108.64 1uae n GLY 149 Ca 0.05 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 1uae n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uae s ARG 150 N 0.00 3.37 0.99 1.61 1.81 -1.26 -4.76 118.95 120.71 1uae s ARG 150 Ca 0.00 1.24 -0.11 0.00 -1.72 0.00 0.00 55.73 55.14 1uae s ARG 150 Cb 0.00 -2.04 0.19 0.00 -0.45 0.00 0.00 34.95 32.65 1uae s ARG 150 CO 0.00 -0.77 1.11 -0.51 -0.68 0.00 0.00 175.30 174.44 1uae s LEU 151 N -4.35 2.20 -0.09 2.53 1.43 -1.26 -4.85 118.68 114.29 1uae s LEU 151 Ca 0.64 1.96 0.04 0.00 -1.03 0.00 0.00 54.13 55.74 1uae s LEU 151 Cb -0.16 -4.19 -0.00 0.00 0.03 0.00 0.00 46.19 41.86 1uae s LEU 151 CO 0.34 -3.42 -0.23 -0.75 0.23 0.00 0.00 176.35 172.52 1uae s LYS 152 N -4.60 2.94 0.56 1.70 2.47 -0.01 -0.25 119.74 122.55 1uae s LYS 152 Ca 0.67 -0.86 -0.19 0.00 -1.56 0.00 0.00 55.97 54.03 1uae s LYS 152 Cb -0.23 -2.24 -0.05 0.00 -1.46 0.00 0.00 37.83 33.85 1uae s LYS 152 CO 0.60 0.19 1.18 0.20 0.16 0.00 0.00 175.35 177.68 1uae s GLY 153 N 0.31 2.72 0.12 5.54 0.00 0.90 -4.52 107.32 112.39 1uae s GLY 153 Ca -0.18 0.95 0.01 0.00 0.00 0.00 0.00 44.72 45.50 1uae s GLY 153 CO 0.08 1.34 -0.01 0.00 0.00 0.00 0.00 173.10 174.52 1uae s ALA 154 N -1.64 0.98 -0.39 3.20 0.00 -1.20 -4.69 121.76 118.01 1uae s ALA 154 Ca 0.74 -1.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 1uae s ALA 154 Cb -0.28 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1uae s ALA 154 CO 0.32 -0.35 0.75 -1.58 0.00 0.00 0.00 175.76 174.89 1uae s HIS 155 N -3.80 3.08 -0.19 0.00 2.46 -1.26 -1.36 115.29 114.21 1uae s HIS 155 Ca 0.18 0.35 0.01 0.00 0.47 0.00 0.00 55.06 56.08 1uae s HIS 155 Cb 0.07 -3.43 0.03 0.00 -0.13 0.00 0.00 32.58 29.11 1uae s HIS 155 CO -0.01 -0.80 -0.16 0.42 -2.47 0.00 0.00 174.74 171.71 1uae s ILE 156 N 3.07 1.95 -0.37 0.89 1.01 0.16 -4.96 121.20 122.96 1uae s ILE 156 Ca 0.29 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 1uae s ILE 156 Cb -0.13 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1uae s ILE 156 CO 0.18 0.37 0.40 -0.69 0.00 0.00 0.00 174.94 175.21 1uae s VAL 157 N 1.30 5.12 0.03 2.92 1.01 -1.26 -0.41 120.40 129.12 1uae s VAL 157 Ca 0.01 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1uae s VAL 157 Cb -0.15 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 1uae s VAL 157 CO -0.10 -0.22 1.42 -0.04 0.00 0.00 0.00 175.10 176.16 1uae s MET 158 N 2.10 4.29 0.34 2.72 -1.94 0.11 -4.88 119.30 122.04 1uae s MET 158 Ca 0.13 2.02 0.04 0.00 -1.71 0.00 0.00 55.69 56.17 1uae s MET 158 Cb -0.17 -3.50 0.67 0.00 2.01 0.00 0.00 34.83 33.84 1uae s MET 158 CO 0.12 -0.55 1.95 0.22 -0.01 0.00 0.00 175.02 176.75 1uae h ASP 159 N 7.64 0.75 -5.17 3.03 1.82 -1.93 -3.44 116.42 119.11 1uae h ASP 159 Ca -0.39 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.12 1uae h ASP 159 Cb 1.19 -0.16 -0.16 0.00 0.68 0.00 0.00 39.33 40.88 1uae h ASP 159 CO 0.89 0.49 -0.68 -0.54 -1.61 0.00 0.00 179.24 177.79 1uae s LYS 160 N -5.75 0.58 0.14 0.28 1.02 -1.26 -5.14 119.74 109.60 1uae s LYS 160 Ca -0.10 -1.14 -0.31 0.00 0.02 0.00 0.00 55.97 54.44 1uae s LYS 160 Cb 0.19 0.17 -0.09 0.00 -0.52 0.00 0.00 37.83 37.59 1uae s LYS 160 CO 0.78 -0.10 1.50 0.08 -0.92 0.00 0.00 175.35 176.69 1uae s VAL 161 N -3.54 2.92 -0.15 3.17 1.01 -1.26 -4.98 120.40 117.57 1uae s VAL 161 Ca 0.04 0.64 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 1uae s VAL 161 Cb 0.05 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 33.09 1uae s VAL 161 CO -0.08 0.05 0.31 -0.55 0.00 0.00 0.00 175.10 174.82 1uae s SER 162 N 1.19 0.13 0.10 3.32 0.15 -1.26 -5.01 113.70 112.32 1uae s SER 162 Ca 0.68 0.70 -0.27 0.00 0.70 0.00 0.00 55.95 57.77 1uae s SER 162 Cb -0.41 0.86 -0.11 0.00 -1.71 0.00 0.00 66.02 64.65 1uae s SER 162 CO 0.31 -0.23 1.66 0.58 1.20 0.00 0.00 173.24 176.75 1uae h VAL 163 N 6.21 0.53 -0.30 4.45 2.07 -1.95 -1.26 116.25 126.00 1uae h VAL 163 Ca -0.17 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 1uae h VAL 163 Cb 1.12 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1uae h VAL 163 CO 0.15 0.00 -0.41 1.23 0.02 0.00 0.00 177.57 178.56 1uae h GLY 164 N -0.44 0.80 1.81 2.17 0.00 -2.00 -2.02 103.07 103.40 1uae h GLY 164 Ca 0.01 -0.82 -0.15 0.00 0.00 0.00 0.00 47.33 46.37 1uae h GLY 164 CO -0.08 0.74 -0.65 0.00 0.00 0.00 0.00 176.54 176.55 1uae h ALA 165 N 0.94 0.81 -0.63 3.60 0.00 -1.93 0.66 119.26 122.71 1uae h ALA 165 Ca 0.05 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.48 1uae h ALA 165 Cb 0.96 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1uae h ALA 165 CO 0.09 0.77 0.24 1.15 0.00 0.00 0.00 179.25 181.50 1uae h THR 166 N 0.14 0.76 -0.36 0.00 2.02 -1.00 -1.04 112.91 113.43 1uae h THR 166 Ca -0.01 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1uae h THR 166 Cb 1.18 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1uae h THR 166 CO 0.10 0.08 0.14 0.58 0.37 0.00 0.00 175.52 176.78 1uae h VAL 167 N 0.42 1.19 -0.27 3.16 2.07 -0.94 -0.32 116.25 121.57 1uae h VAL 167 Ca 0.32 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1uae h VAL 167 Cb 0.40 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1uae h VAL 167 CO -0.31 0.21 -0.04 0.74 0.02 0.00 0.00 177.57 178.19 1uae h THR 168 N 0.43 0.76 -0.34 2.57 2.02 -0.56 0.78 112.91 118.57 1uae h THR 168 Ca 0.12 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 1uae h THR 168 Cb 0.20 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1uae h THR 168 CO -0.01 0.01 -0.08 0.40 0.37 0.00 0.00 175.52 176.21 1uae h ILE 169 N 0.04 1.28 -0.59 3.11 2.04 -1.08 -0.75 117.51 121.55 1uae h ILE 169 Ca 0.13 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1uae h ILE 169 Cb 0.19 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1uae h ILE 169 CO -0.25 0.37 0.37 -0.03 0.00 0.00 0.00 178.15 178.61 1uae h MET 170 N 0.44 0.73 0.12 2.37 4.05 -0.91 0.56 114.93 122.29 1uae h MET 170 Ca 0.09 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1uae h MET 170 Cb 0.58 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1uae h MET 170 CO 0.03 0.48 -0.06 0.00 0.23 0.00 0.00 176.91 177.60 1uae h ALA 172 N 0.52 1.44 -0.05 0.00 0.00 -1.05 -2.09 119.26 118.04 1uae h ALA 172 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1uae h ALA 172 Cb 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1uae h ALA 172 CO 0.03 0.46 0.12 0.00 0.00 0.00 0.00 179.25 179.86 1uae h ALA 173 N 1.47 1.34 0.00 0.00 0.00 -0.76 -2.83 119.26 118.48 1uae h ALA 173 Ca 0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1uae h ALA 173 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1uae h ALA 173 CO -0.12 -0.15 -0.04 1.79 0.00 0.00 0.00 179.25 180.74 1uae h THR 174 N 0.00 0.22 -0.15 0.00 1.35 -1.31 -2.49 112.91 110.53 1uae h THR 174 Ca 0.02 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1uae h THR 174 Cb 0.27 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1uae h THR 174 CO -0.00 0.04 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 1uae n LEU 175 N -3.32 2.35 -4.85 3.87 4.77 -1.07 -0.73 117.00 118.02 1uae n LEU 175 Ca -0.02 -1.90 -0.31 0.00 -0.03 0.00 0.00 56.01 53.75 1uae n LEU 175 Cb 0.18 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1uae n LEU 175 CO 0.25 0.58 0.70 0.00 -1.33 0.00 0.00 177.39 177.60 1uae s ALA 176 N -0.94 3.05 -0.21 -1.18 0.00 -0.94 -4.59 121.76 116.96 1uae s ALA 176 Ca 0.11 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1uae s ALA 176 Cb 0.06 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 1uae s ALA 176 CO 0.08 -0.55 1.16 -2.00 0.00 0.00 0.00 175.76 174.44 1uae s GLU 177 N -4.72 4.21 0.04 0.00 2.12 0.66 -3.64 118.70 117.37 1uae s GLU 177 Ca 0.57 1.47 0.00 0.00 0.36 0.00 0.00 54.97 57.37 1uae s GLU 177 Cb -0.11 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.56 1uae s GLU 177 CO 0.45 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 1uae n GLY 178 N 3.55 -1.84 3.59 -1.50 0.00 -1.26 -0.07 105.19 107.66 1uae n GLY 178 Ca 0.13 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1uae n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uae s THR 179 N 0.00 4.22 -0.13 2.61 2.01 -1.26 -0.78 115.64 122.31 1uae s THR 179 Ca 0.00 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1uae s THR 179 Cb 0.00 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1uae s THR 179 CO 0.00 0.52 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.55 1uae s THR 180 N -0.06 4.15 -0.17 -0.82 2.01 0.40 -3.28 115.64 117.88 1uae s THR 180 Ca 0.03 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1uae s THR 180 Cb -0.13 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.60 1uae s THR 180 CO 0.02 0.54 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.68 1uae s ILE 181 N -0.17 2.39 -0.38 1.82 1.01 -0.46 -0.54 121.20 124.88 1uae s ILE 181 Ca 0.04 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 1uae s ILE 181 Cb -0.13 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1uae s ILE 181 CO 0.02 0.52 0.22 -0.63 0.00 0.00 0.00 174.94 175.07 1uae s ILE 182 N 1.05 4.65 0.11 2.92 1.01 0.58 0.40 121.20 131.92 1uae s ILE 182 Ca -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1uae s ILE 182 Cb -0.14 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 1uae s ILE 182 CO -0.05 -0.24 0.33 -1.61 0.00 0.00 0.00 174.94 173.37 1uae s GLU 183 N 1.57 3.58 -1.71 2.79 0.41 0.46 -1.46 118.70 124.34 1uae s GLU 183 Ca 0.02 -0.14 -0.00 0.00 -0.41 0.00 0.00 54.97 54.44 1uae s GLU 183 Cb -0.19 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 1uae s GLU 183 CO 0.07 0.52 0.03 -1.71 -0.49 0.00 0.00 175.26 173.69 1uae n ASN 184 N 0.30 -5.76 -4.76 -0.19 4.05 -0.42 -0.71 115.26 107.76 1uae n ASN 184 Ca -0.04 -0.03 -0.41 0.00 0.45 0.00 0.00 54.58 54.54 1uae n ASN 184 Cb 0.52 -4.77 -0.01 0.00 1.23 0.00 0.00 39.78 36.75 1uae n ASN 184 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1uae s ALA 185 N -3.01 3.64 0.35 5.20 0.00 -0.49 -4.56 121.76 122.89 1uae s ALA 185 Ca 0.02 1.51 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 1uae s ALA 185 Cb -0.01 -3.61 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 1uae s ALA 185 CO 0.02 -0.95 1.37 0.00 0.00 0.00 0.00 175.76 176.21 1uae n ALA 186 N 1.44 1.73 0.56 0.00 0.00 -1.26 -4.44 120.51 118.54 1uae n ALA 186 Ca 0.05 0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.93 1uae n ALA 186 Cb 0.39 -2.32 0.11 0.00 0.00 0.00 0.00 19.45 17.63 1uae n ALA 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uae n ARG 187 N 0.59 1.76 -1.47 0.00 1.74 -1.26 -4.65 116.66 113.37 1uae n ARG 187 Ca 0.04 -1.74 -0.44 0.00 -0.77 0.00 0.00 57.85 54.94 1uae n ARG 187 Cb 0.37 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.43 1uae n ARG 187 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1uae n GLU 188 N 1.05 0.61 0.14 5.56 4.71 -1.26 -4.45 120.64 127.00 1uae n GLU 188 Ca 0.12 0.22 0.18 0.00 -0.01 0.00 0.00 57.16 57.67 1uae n GLU 188 Cb 0.47 -1.44 0.77 0.00 -1.01 0.00 0.00 31.44 30.24 1uae n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1uae h PRO 189 N 1.17 0.00 0.00 3.49 0.11 -1.95 -0.45 132.00 134.36 1uae h PRO 189 Ca -0.37 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.66 1uae h PRO 189 Cb 1.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 1uae h PRO 189 CO 0.55 0.00 -0.39 0.93 -0.21 0.00 0.00 178.00 178.88 1uae h GLU 190 N 0.00 0.00 -0.24 1.05 3.07 -1.88 -0.83 114.58 115.75 1uae h GLU 190 Ca 0.14 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.84 1uae h GLU 190 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1uae h GLU 190 CO -0.00 0.39 -0.50 0.82 -1.40 0.00 0.00 179.01 178.32 1uae h ILE 191 N 0.00 1.30 -0.65 3.13 2.04 -1.42 0.39 117.51 122.30 1uae h ILE 191 Ca -0.00 -1.71 0.09 0.00 1.00 0.00 0.00 64.86 64.24 1uae h ILE 191 Cb 0.81 1.77 -0.07 0.00 -0.74 0.00 0.00 36.82 38.59 1uae h ILE 191 CO 0.05 0.54 0.30 0.58 0.00 0.00 0.00 178.15 179.62 1uae h VAL 192 N 0.50 0.83 -0.29 1.67 2.07 -1.34 0.21 116.25 119.90 1uae h VAL 192 Ca 0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1uae h VAL 192 Cb 1.11 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1uae h VAL 192 CO 0.11 0.10 0.09 -0.78 0.02 0.00 0.00 177.57 177.11 1uae h ASP 193 N 0.52 0.42 -0.24 0.57 3.58 -1.05 0.15 116.42 120.37 1uae h ASP 193 Ca 0.32 -0.20 0.04 0.00 0.42 0.00 0.00 57.03 57.61 1uae h ASP 193 Cb 0.34 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 1uae h ASP 193 CO -0.27 0.51 -0.01 0.74 -2.88 0.00 0.00 179.24 177.33 1uae h THR 194 N 0.30 0.82 -0.49 2.25 2.02 -0.71 1.00 112.91 118.10 1uae h THR 194 Ca 0.09 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.31 1uae h THR 194 Cb 0.24 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 1uae h THR 194 CO -0.00 0.01 0.21 0.00 0.37 0.00 0.00 175.52 176.11 1uae h ALA 195 N 1.21 0.61 -0.12 6.16 0.00 -0.32 -0.06 119.26 126.75 1uae h ALA 195 Ca 0.11 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1uae h ALA 195 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1uae h ALA 195 CO -0.20 -0.17 -0.21 -0.91 0.00 0.00 0.00 179.25 177.76 1uae h ASN 196 N 0.41 0.19 0.27 0.00 2.35 -0.09 -1.01 115.58 117.69 1uae h ASN 196 Ca 0.23 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1uae h ASN 196 Cb 0.20 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1uae h ASN 196 CO -0.20 0.41 -0.21 0.15 -1.65 0.00 0.00 177.43 175.93 1uae h PHE 197 N 0.18 -0.55 -0.84 1.19 3.57 -0.19 -1.97 116.94 118.33 1uae h PHE 197 Ca 0.03 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.68 1uae h PHE 197 Cb 0.48 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.33 1uae h PHE 197 CO 0.01 -0.32 0.43 -0.07 -2.23 0.00 0.00 178.31 176.13 1uae h LEU 198 N -0.48 0.51 -1.33 0.59 3.38 -0.54 -0.29 115.31 117.14 1uae h LEU 198 Ca -0.02 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1uae h LEU 198 Cb 0.43 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1uae h LEU 198 CO -0.01 0.21 0.17 0.40 0.09 0.00 0.00 178.44 179.31 1uae h ILE 199 N 0.61 1.17 -0.32 1.22 2.04 -1.10 -0.93 117.51 120.19 1uae h ILE 199 Ca 0.46 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1uae h ILE 199 Cb 0.65 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1uae h ILE 199 CO -0.37 0.20 0.22 0.74 0.00 0.00 0.00 178.15 178.95 1uae h THR 200 N 0.63 1.00 -0.00 -0.27 2.02 -0.26 -0.16 112.91 115.86 1uae h THR 200 Ca 0.15 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1uae h THR 200 Cb 0.13 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1uae h THR 200 CO -0.02 0.05 -0.06 0.18 0.37 0.00 0.00 175.52 176.05 1uae n LEU 201 N -4.49 0.25 0.00 2.58 4.77 -0.55 -4.82 117.00 114.74 1uae n LEU 201 Ca 0.03 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1uae n LEU 201 Cb 0.18 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1uae n LEU 201 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1uae n GLY 202 N 1.26 0.95 3.79 -0.72 0.00 -0.07 -0.10 105.19 110.30 1uae n GLY 202 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1uae n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae s ALA 203 N -2.00 2.60 -0.39 4.61 0.00 -0.46 -4.94 121.76 121.17 1uae s ALA 203 Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 1uae s ALA 203 Cb 0.00 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.96 1uae s ALA 203 CO 0.00 -1.11 0.18 0.15 0.00 0.00 0.00 175.76 174.98 1uae s LYS 204 N -4.29 2.17 -0.01 0.00 1.02 -1.26 -4.37 119.74 113.00 1uae s LYS 204 Ca 0.64 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1uae s LYS 204 Cb -0.17 -3.56 0.01 0.00 -0.52 0.00 0.00 37.83 33.59 1uae s LYS 204 CO 0.43 -0.99 -0.01 0.42 -0.92 0.00 0.00 175.35 174.28 1uae s ILE 205 N 1.21 0.12 0.04 2.17 1.01 -1.26 -1.21 121.20 123.28 1uae s ILE 205 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 1uae s ILE 205 Cb -0.22 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 1uae s ILE 205 CO -0.03 0.07 0.03 -0.55 0.00 0.00 0.00 174.94 174.47 1uae s SER 206 N 0.38 0.29 0.00 3.58 0.15 0.76 -4.91 113.70 113.95 1uae s SER 206 Ca -0.03 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1uae s SER 206 Cb -0.06 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1uae s SER 206 CO -0.01 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1uae n GLY 207 N 0.69 0.19 3.67 9.45 0.00 -1.26 -0.14 105.19 117.78 1uae n GLY 207 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1uae n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uae n GLN 208 N -2.00 1.87 0.00 1.61 0.00 -1.26 -0.15 117.38 117.46 1uae n GLN 208 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 57.00 57.66 1uae n GLN 208 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 30.24 28.05 1uae n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1uae n GLY 209 N 0.91 2.57 3.93 2.61 0.00 -1.26 -4.91 105.19 109.03 1uae n GLY 209 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1uae n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uae s THR 210 N -2.17 2.22 -2.00 2.61 -4.23 0.79 -4.78 115.64 108.08 1uae s THR 210 Ca 0.00 -1.30 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 1uae s THR 210 Cb 0.00 -2.52 0.21 0.00 1.34 0.00 0.00 72.50 71.53 1uae s THR 210 CO 0.00 0.00 1.19 -0.90 -0.54 0.00 0.00 174.62 174.37 1uae n ASP 211 N -1.79 0.00 -3.72 3.99 5.68 -1.26 -4.57 116.55 114.88 1uae n ASP 211 Ca 0.05 -1.56 -0.18 0.00 -0.50 0.00 0.00 54.79 52.59 1uae n ASP 211 Cb 0.62 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.43 1uae n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1uae s ARG 212 N -2.00 0.01 -0.10 0.11 3.52 -1.26 -1.30 118.95 117.92 1uae s ARG 212 Ca 0.11 0.28 -0.02 0.00 -0.13 0.00 0.00 55.73 55.97 1uae s ARG 212 Cb 0.05 -0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 32.95 1uae s ARG 212 CO 0.08 -0.26 -0.02 0.42 -0.81 0.00 0.00 175.30 174.72 1uae s ILE 213 N 1.72 4.14 -0.12 4.11 1.01 -0.53 -4.41 121.20 127.12 1uae s ILE 213 Ca -0.01 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1uae s ILE 213 Cb -0.12 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 1uae s ILE 213 CO -0.03 0.57 -0.19 -0.69 0.00 0.00 0.00 174.94 174.60 1uae s VAL 214 N -0.53 2.49 -0.11 2.92 1.01 0.80 -0.31 120.40 126.67 1uae s VAL 214 Ca 0.09 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1uae s VAL 214 Cb -0.12 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1uae s VAL 214 CO 0.02 0.54 -0.21 -0.63 0.00 0.00 0.00 175.10 174.82 1uae s ILE 215 N 0.44 1.86 -0.24 2.22 1.09 0.30 -0.17 121.20 126.70 1uae s ILE 215 Ca -0.13 -0.88 -0.09 0.00 -1.10 0.00 0.00 60.65 58.45 1uae s ILE 215 Cb -0.17 -1.63 -0.04 0.00 -1.06 0.00 0.00 42.46 39.56 1uae s ILE 215 CO 0.06 0.51 0.11 -0.70 -0.10 0.00 0.00 174.94 174.82 1uae s GLU 216 N 0.59 3.84 0.47 2.79 2.12 -0.35 -0.45 118.70 127.69 1uae s GLU 216 Ca -0.14 -0.39 -0.24 0.00 0.36 0.00 0.00 54.97 54.56 1uae s GLU 216 Cb -0.17 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 30.74 1uae s GLU 216 CO 0.04 -0.07 1.32 0.20 -0.54 0.00 0.00 175.26 176.22 1uae s GLY 217 N 1.34 2.89 0.41 -1.50 0.00 0.04 -4.07 107.32 106.42 1uae s GLY 217 Ca 0.06 1.26 0.07 0.00 0.00 0.00 0.00 44.72 46.11 1uae s GLY 217 CO 0.05 1.81 0.04 -1.34 0.00 0.00 0.00 173.10 173.66 1uae s VAL 218 N -1.31 2.07 0.21 1.40 -7.23 0.09 -4.68 120.40 110.96 1uae s VAL 218 Ca 0.63 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.90 1uae s VAL 218 Cb -0.38 -2.99 -0.08 0.00 0.56 0.00 0.00 36.38 33.48 1uae s VAL 218 CO 0.48 -0.01 1.49 -0.33 -0.31 0.00 0.00 175.10 176.42 1uae h GLU 219 N 1.71 0.20 -2.26 4.82 4.39 -1.91 -3.39 114.58 118.13 1uae h GLU 219 Ca -0.44 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.02 1uae h GLU 219 Cb 1.24 0.04 -0.21 0.00 -0.10 0.00 0.00 28.75 29.72 1uae h GLU 219 CO 0.78 0.83 0.03 0.50 -1.16 0.00 0.00 179.01 179.99 1uae s ARG 220 N -3.54 0.81 0.06 2.33 3.52 -1.26 -5.03 118.95 115.84 1uae s ARG 220 Ca -0.03 0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1uae s ARG 220 Cb 0.11 0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 33.85 1uae s ARG 220 CO 0.81 -0.16 0.21 -0.51 -0.81 0.00 0.00 175.30 174.83 1uae s LEU 221 N -0.26 4.36 0.00 -0.88 1.43 -1.26 -4.92 118.68 117.15 1uae s LEU 221 Ca -0.04 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1uae s LEU 221 Cb -0.03 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1uae s LEU 221 CO 0.04 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1uae n GLY 222 N 0.30 1.66 1.19 -3.19 0.00 0.86 -0.66 105.19 105.35 1uae n GLY 222 Ca -0.05 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 1uae n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uae n GLY 223 N 5.00 3.87 0.00 -0.02 0.00 -1.26 -3.58 105.19 109.20 1uae n GLY 223 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1uae n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uae n GLY 224 N 1.89 -1.89 3.21 -0.02 0.00 -0.76 -4.46 105.19 103.15 1uae n GLY 224 Ca -0.04 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 1uae n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uae s VAL 225 N -2.60 1.82 -0.11 1.61 1.01 -1.26 0.05 120.40 120.92 1uae s VAL 225 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 1uae s VAL 225 Cb 0.00 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.86 1uae s VAL 225 CO 0.00 0.51 0.27 -0.47 0.00 0.00 0.00 175.10 175.41 1uae s TYR 226 N 0.05 -0.34 -0.23 5.22 5.04 0.40 -4.97 117.35 122.53 1uae s TYR 226 Ca -0.07 0.80 -0.10 0.00 -2.44 0.00 0.00 57.07 55.25 1uae s TYR 226 Cb -0.14 0.09 -0.05 0.00 0.35 0.00 0.00 41.96 42.22 1uae s TYR 226 CO 0.04 -0.20 0.13 0.50 -1.34 0.00 0.00 175.55 174.69 1uae s ARG 227 N 0.69 4.04 0.30 4.97 3.52 -1.26 0.07 118.95 131.27 1uae s ARG 227 Ca -0.04 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 54.97 1uae s ARG 227 Cb -0.06 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.78 1uae s ARG 227 CO -0.04 0.10 1.22 0.08 -0.81 0.00 0.00 175.30 175.85 1uae s VAL 228 N 0.91 3.09 0.80 7.11 1.01 -0.39 -4.94 120.40 127.99 1uae s VAL 228 Ca 0.07 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.02 1uae s VAL 228 Cb -0.13 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1uae s VAL 228 CO 0.03 0.25 1.09 -1.48 0.00 0.00 0.00 175.10 174.99 1uae s LEU 229 N -1.50 2.87 0.63 3.92 2.34 -1.26 -4.70 118.68 120.98 1uae s LEU 229 Ca 0.48 1.75 -0.18 0.00 0.06 0.00 0.00 54.13 56.23 1uae s LEU 229 Cb -0.36 -4.39 -0.03 0.00 -0.56 0.00 0.00 46.19 40.85 1uae s LEU 229 CO 0.47 -2.16 1.16 -2.65 -1.06 0.00 0.00 176.35 172.10 1uae n PRO 230 N -3.60 1.02 -2.32 1.48 -0.02 -1.26 0.08 135.00 130.38 1uae n PRO 230 Ca 0.09 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 1uae n PRO 230 Cb 0.53 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1uae n PRO 230 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1uae s ASP 231 N -1.33 6.32 0.32 2.55 -1.08 0.12 -4.13 116.67 119.45 1uae s ASP 231 Ca 0.80 0.91 0.09 0.00 -0.52 0.00 0.00 52.55 53.83 1uae s ASP 231 Cb -0.39 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.08 1uae s ASP 231 CO 0.43 -1.43 1.74 0.08 0.52 0.00 0.00 175.17 176.52 1uae h ARG 232 N 10.78 0.14 0.13 4.34 0.11 -1.91 -0.01 114.38 127.95 1uae h ARG 232 Ca -0.28 -0.06 -0.30 0.00 0.10 0.00 0.00 59.98 59.44 1uae h ARG 232 Cb 1.11 -0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.22 1uae h ARG 232 CO 1.08 0.52 -1.26 0.82 0.10 0.00 0.00 179.97 181.23 1uae h ILE 233 N 0.12 1.28 -0.97 0.08 1.08 -1.95 0.11 117.51 117.26 1uae h ILE 233 Ca 0.01 -2.47 0.04 0.00 -0.39 0.00 0.00 64.86 62.05 1uae h ILE 233 Cb 0.77 2.71 -0.06 0.00 -3.07 0.00 0.00 36.82 37.17 1uae h ILE 233 CO 0.06 0.75 0.63 -0.08 -0.69 0.00 0.00 178.15 178.82 1uae h GLU 234 N 0.27 1.18 0.45 2.37 4.81 -1.88 0.21 114.58 122.00 1uae h GLU 234 Ca -0.19 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1uae h GLU 234 Cb 1.93 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 1uae h GLU 234 CO 0.24 0.78 -0.48 1.15 -0.73 0.00 0.00 179.01 179.97 1uae h THR 235 N 1.21 0.06 -0.98 0.32 2.02 -0.87 -1.80 112.91 112.88 1uae h THR 235 Ca 0.39 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.77 1uae h THR 235 Cb 0.02 0.06 -0.11 0.00 -1.74 0.00 0.00 68.15 66.38 1uae h THR 235 CO -0.13 0.00 0.57 1.23 0.37 0.00 0.00 175.52 177.56 1uae h GLY 236 N -0.95 1.76 0.98 2.16 0.00 -0.59 -0.83 103.07 105.61 1uae h GLY 236 Ca -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1uae h GLY 236 CO -0.08 -0.13 0.29 -0.84 0.00 0.00 0.00 176.54 175.78 1uae h THR 237 N 0.66 1.17 -0.48 4.70 2.02 -0.19 0.42 112.91 121.21 1uae h THR 237 Ca 0.58 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 67.25 1uae h THR 237 Cb 0.98 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1uae h THR 237 CO -0.42 0.17 -0.14 -0.26 0.37 0.00 0.00 175.52 175.25 1uae h PHE 238 N 0.67 1.01 -0.85 3.16 0.04 -0.89 0.38 116.94 120.45 1uae h PHE 238 Ca 0.18 -0.21 0.06 0.00 2.80 0.00 0.00 57.97 60.80 1uae h PHE 238 Cb 0.03 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 37.87 1uae h PHE 238 CO -0.02 0.97 0.53 -0.07 -0.60 0.00 0.00 178.31 179.12 1uae h LEU 239 N 0.80 0.84 -0.68 1.54 3.38 -1.01 -2.22 115.31 117.96 1uae h LEU 239 Ca 0.12 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1uae h LEU 239 Cb 0.67 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1uae h LEU 239 CO 0.05 0.55 0.27 0.58 0.09 0.00 0.00 178.44 179.97 1uae h VAL 240 N 0.98 1.24 -0.70 1.22 2.07 -0.71 -0.07 116.25 120.28 1uae h VAL 240 Ca 0.37 -0.77 0.14 0.00 0.82 0.00 0.00 66.70 67.25 1uae h VAL 240 Cb 0.14 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 30.29 1uae h VAL 240 CO -0.16 0.31 0.22 0.00 0.02 0.00 0.00 177.57 177.95 1uae h ALA 241 N 1.12 0.92 -0.21 1.67 0.00 -0.35 0.25 119.26 122.66 1uae h ALA 241 Ca 0.23 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 1uae h ALA 241 Cb 0.21 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1uae h ALA 241 CO -0.02 -0.27 -0.34 0.00 0.00 0.00 0.00 179.25 178.62 1uae h ALA 242 N 1.54 0.32 -0.46 0.00 0.00 -1.33 -2.78 119.26 116.54 1uae h ALA 242 Ca 0.38 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1uae h ALA 242 Cb 0.59 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1uae h ALA 242 CO -0.43 0.37 0.27 0.00 0.00 0.00 0.00 179.25 179.47 1uae h ALA 243 N 0.61 0.58 0.00 0.00 0.00 -0.28 0.21 119.26 120.39 1uae h ALA 243 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uae h ALA 243 Cb 0.93 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1uae h ALA 243 CO 0.08 -0.04 0.00 -0.84 0.00 0.00 0.00 179.25 178.45 1uae h ILE 244 N 0.55 0.00 -0.60 0.00 3.07 -0.63 -3.18 117.51 116.72 1uae h ILE 244 Ca 0.18 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1uae h ILE 244 Cb 0.01 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 1uae h ILE 244 CO -0.08 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.48 1uae n SER 245 N -2.62 4.27 -2.67 2.16 3.41 -0.89 -4.91 113.62 112.37 1uae n SER 245 Ca 0.02 -2.32 -0.22 0.00 -0.26 0.00 0.00 58.87 56.10 1uae n SER 245 Cb 0.32 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.78 1uae n SER 245 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1uae n ARG 246 N 1.06 -3.17 0.00 4.33 1.74 -1.00 -4.27 116.66 115.35 1uae n ARG 246 Ca 0.23 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.28 1uae n ARG 246 Cb 0.76 -5.72 0.00 0.00 -1.02 0.00 0.00 32.46 26.49 1uae n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uae n GLY 247 N -1.26 2.29 3.45 -0.13 0.00 0.67 -3.76 105.19 106.46 1uae n GLY 247 Ca -0.19 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 1uae n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uae s LYS 248 N 3.36 0.75 0.00 1.61 -2.85 -1.23 -0.75 119.74 120.64 1uae s LYS 248 Ca 0.00 0.53 -0.05 0.00 -1.00 0.00 0.00 55.97 55.45 1uae s LYS 248 Cb 0.00 0.36 -0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1uae s LYS 248 CO 0.00 -0.15 0.09 -1.50 0.10 0.00 0.00 175.35 173.89 1uae s ILE 249 N -0.27 0.08 -0.07 3.79 2.07 0.09 -0.50 121.20 126.39 1uae s ILE 249 Ca -0.04 -0.69 0.03 0.00 -1.41 0.00 0.00 60.65 58.53 1uae s ILE 249 Cb -0.03 -0.36 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 1uae s ILE 249 CO 0.03 -0.38 -0.14 -0.63 -1.91 0.00 0.00 174.94 171.91 1uae s ILE 250 N -1.28 3.06 -0.33 2.00 1.01 -0.13 -0.87 121.20 124.65 1uae s ILE 250 Ca -0.14 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 1uae s ILE 250 Cb -0.08 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1uae s ILE 250 CO 0.01 0.57 0.16 0.00 0.00 0.00 0.00 174.94 175.67 1uae s ARG 252 N 1.57 3.42 -1.50 0.00 0.52 0.89 -1.29 118.95 122.56 1uae s ARG 252 Ca 0.03 -0.41 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 1uae s ARG 252 Cb -0.18 -2.67 0.07 0.00 0.52 0.00 0.00 34.95 32.69 1uae s ARG 252 CO 0.06 0.12 0.98 0.09 0.02 0.00 0.00 175.30 176.56 1uae n ASN 253 N -1.79 -4.59 -4.93 0.23 5.03 -1.05 -0.11 115.26 108.05 1uae n ASN 253 Ca -0.04 -0.76 -0.20 0.00 0.87 0.00 0.00 54.58 54.45 1uae n ASN 253 Cb 0.56 -4.01 -0.02 0.00 -1.02 0.00 0.00 39.78 35.30 1uae n ASN 253 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1uae s ALA 254 N -3.34 4.14 -0.46 5.41 0.00 -0.03 -4.48 121.76 123.00 1uae s ALA 254 Ca 0.59 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.96 1uae s ALA 254 Cb -0.29 -1.42 0.13 0.00 0.00 0.00 0.00 23.12 21.55 1uae s ALA 254 CO 0.82 -0.09 0.25 -1.14 0.00 0.00 0.00 175.76 175.60 1uae s GLN 255 N -4.14 1.48 0.53 0.00 0.74 -1.26 -4.05 119.66 112.97 1uae s GLN 255 Ca 0.46 -2.19 0.19 0.00 0.05 0.00 0.00 55.36 53.88 1uae s GLN 255 Cb -0.08 -2.60 1.39 0.00 1.10 0.00 0.00 33.01 32.83 1uae s GLN 255 CO 0.30 -1.15 2.17 -1.35 -0.55 0.00 0.00 175.29 174.70 1uae h PRO 256 N 6.64 0.00 0.00 1.67 0.11 -1.84 -1.95 132.00 136.63 1uae h PRO 256 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1uae h PRO 256 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1uae h PRO 256 CO 0.54 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 1uae n ASP 257 N -4.37 0.39 -0.15 -2.05 5.68 -1.26 -1.53 116.55 113.26 1uae n ASP 257 Ca -0.03 0.64 0.15 0.00 -0.50 0.00 0.00 54.79 55.05 1uae n ASP 257 Cb 0.09 -0.70 0.76 0.00 -1.14 0.00 0.00 41.12 40.13 1uae n ASP 257 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1uae n THR 258 N -1.98 0.00 -1.33 2.12 -2.24 -0.73 -4.06 114.28 106.06 1uae n THR 258 Ca 0.01 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.79 1uae n THR 258 Cb 0.12 -0.15 0.14 0.00 -2.10 0.00 0.00 70.33 68.34 1uae n THR 258 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1uae n LEU 259 N -0.68 2.19 -0.08 3.22 4.77 -0.59 -4.91 117.00 120.91 1uae n LEU 259 Ca 0.20 -3.07 -0.08 0.00 -0.03 0.00 0.00 56.01 53.03 1uae n LEU 259 Cb 0.21 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1uae n LEU 259 CO 0.19 0.83 0.64 0.44 -1.33 0.00 0.00 177.39 178.17 1uae h ASP 260 N 0.28 -1.04 -0.20 -1.43 3.32 -1.71 0.85 116.42 116.50 1uae h ASP 260 Ca -0.01 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1uae h ASP 260 Cb 1.07 0.48 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 1uae h ASP 260 CO 0.00 -0.33 0.10 0.00 -1.72 0.00 0.00 179.24 177.30 1uae h ALA 261 N 0.67 0.26 -0.43 3.45 0.00 -1.89 -1.58 119.26 119.73 1uae h ALA 261 Ca 0.15 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1uae h ALA 261 Cb 0.53 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1uae h ALA 261 CO -0.48 -0.19 0.09 0.28 0.00 0.00 0.00 179.25 178.95 1uae h VAL 262 N 0.20 0.78 -0.66 0.00 2.07 -1.81 -1.72 116.25 115.10 1uae h VAL 262 Ca 0.07 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1uae h VAL 262 Cb 0.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1uae h VAL 262 CO -0.01 0.04 0.15 -0.07 0.02 0.00 0.00 177.57 177.70 1uae h LEU 263 N 0.23 1.00 -0.88 2.57 3.38 -0.56 0.78 115.31 121.83 1uae h LEU 263 Ca 0.21 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1uae h LEU 263 Cb 0.26 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1uae h LEU 263 CO -0.27 0.97 0.56 0.00 0.09 0.00 0.00 178.44 179.79 1uae h ALA 264 N 1.15 1.18 -0.07 1.53 0.00 -1.09 0.32 119.26 122.28 1uae h ALA 264 Ca 0.21 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1uae h ALA 264 Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1uae h ALA 264 CO 0.00 0.37 -0.40 -0.22 0.00 0.00 0.00 179.25 179.00 1uae h LYS 265 N 1.06 0.15 -0.10 0.00 1.63 -0.80 0.32 116.57 118.84 1uae h LYS 265 Ca 0.36 -0.07 -0.21 0.00 -0.85 0.00 0.00 60.65 59.88 1uae h LYS 265 Cb 0.07 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1uae h LYS 265 CO -0.14 0.53 -0.77 -0.07 -3.45 0.00 0.00 179.45 175.56 1uae h LEU 266 N 0.13 0.85 -0.81 5.20 3.38 -0.21 -1.50 115.31 122.34 1uae h LEU 266 Ca 0.01 -0.66 0.12 0.00 0.09 0.00 0.00 57.88 57.44 1uae h LEU 266 Cb 0.77 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1uae h LEU 266 CO 0.06 1.38 0.42 0.03 0.09 0.00 0.00 178.44 180.42 1uae h ARG 267 N 0.38 0.63 -0.55 1.13 3.08 -0.13 -1.45 114.38 117.47 1uae h ARG 267 Ca -0.07 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.08 1uae h ARG 267 Cb 1.41 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 1uae h ARG 267 CO 0.16 0.42 0.38 -0.44 -1.07 0.00 0.00 179.97 179.42 1uae h ASP 268 N 0.65 0.15 0.19 7.04 3.32 -0.75 0.04 116.42 127.06 1uae h ASP 268 Ca 0.42 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1uae h ASP 268 Cb 0.52 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1uae h ASP 268 CO -0.32 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.28 1uae n ALA 269 N -2.59 2.58 0.00 3.45 0.00 -0.58 -4.76 120.51 118.61 1uae n ALA 269 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1uae n ALA 269 Cb 0.51 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1uae n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uae n GLY 270 N 1.02 0.98 3.78 0.00 0.00 0.00 0.08 105.19 111.06 1uae n GLY 270 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1uae n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae s ALA 271 N -2.00 3.33 -0.53 4.61 0.00 -0.71 -4.83 121.76 121.63 1uae s ALA 271 Ca 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 51.96 52.18 1uae s ALA 271 Cb 0.00 -3.06 0.06 0.00 0.00 0.00 0.00 23.12 20.13 1uae s ALA 271 CO 0.00 0.24 0.69 0.34 0.00 0.00 0.00 175.76 177.04 1uae s ASP 272 N -1.45 6.23 -0.09 0.00 2.15 0.53 -4.35 116.67 119.69 1uae s ASP 272 Ca 0.44 -0.92 -0.00 0.00 0.43 0.00 0.00 52.55 52.50 1uae s ASP 272 Cb -0.20 -2.32 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 1uae s ASP 272 CO 0.25 -0.99 -0.06 -0.63 -0.17 0.00 0.00 175.17 173.57 1uae s ILE 273 N 2.88 3.75 0.16 4.11 1.01 -1.26 -0.18 121.20 131.66 1uae s ILE 273 Ca 0.17 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1uae s ILE 273 Cb -0.19 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1uae s ILE 273 CO 0.12 0.58 -0.14 -1.61 0.00 0.00 0.00 174.94 173.89 1uae s GLU 274 N -0.59 1.16 0.00 2.79 2.02 0.50 -5.00 118.70 119.59 1uae s GLU 274 Ca 0.09 -1.40 0.03 0.00 0.02 0.00 0.00 54.97 53.71 1uae s GLU 274 Cb -0.12 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 33.11 1uae s GLU 274 CO 0.02 0.18 -0.09 0.14 0.02 0.00 0.00 175.26 175.52 1uae s VAL 275 N -2.55 0.71 0.00 2.63 -7.23 -1.26 -0.31 120.40 112.38 1uae s VAL 275 Ca 0.15 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1uae s VAL 275 Cb -0.03 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.30 1uae s VAL 275 CO 0.04 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1uae n GLY 276 N 2.66 5.78 0.17 2.32 0.00 0.45 -5.01 105.19 111.56 1uae n GLY 276 Ca -0.15 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 1uae n GLY 276 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1uae h GLU 277 N 0.00 0.11 0.00 1.61 4.81 -2.01 -3.34 114.58 115.76 1uae h GLU 277 Ca 0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 1uae h GLU 277 Cb 0.00 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.11 1uae h GLU 277 CO 0.00 0.59 -0.84 -0.40 -0.73 0.00 0.00 179.01 177.63 1uae n ASP 278 N -3.94 0.62 -3.66 1.04 5.75 -1.26 -4.63 116.55 110.47 1uae n ASP 278 Ca -0.02 -1.98 -0.13 0.00 -0.01 0.00 0.00 54.79 52.66 1uae n ASP 278 Cb 0.53 -0.23 -0.06 0.00 -1.03 0.00 0.00 41.12 40.33 1uae n ASP 278 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 1uae s TRP 279 N 0.00 -0.27 -0.03 2.11 1.48 -1.25 -0.85 118.94 120.12 1uae s TRP 279 Ca 0.23 0.24 0.01 0.00 -1.06 0.00 0.00 56.10 55.52 1uae s TRP 279 Cb 0.26 0.22 0.02 0.00 -1.16 0.00 0.00 33.47 32.82 1uae s TRP 279 CO -0.12 -0.57 -0.03 0.42 -4.06 0.00 0.00 176.95 172.60 1uae s ILE 280 N -2.46 0.37 -0.03 0.66 1.01 -0.42 -0.41 121.20 119.92 1uae s ILE 280 Ca -0.05 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.60 1uae s ILE 280 Cb -0.01 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 1uae s ILE 280 CO -0.02 0.18 -0.14 -0.94 0.00 0.00 0.00 174.94 174.01 1uae s SER 281 N 0.85 4.03 -0.06 3.58 1.04 0.58 0.50 113.70 124.22 1uae s SER 281 Ca -0.10 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.13 1uae s SER 281 Cb -0.13 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.17 1uae s SER 281 CO -0.01 0.33 -0.14 -0.22 0.98 0.00 0.00 173.24 174.18 1uae s LEU 282 N -0.91 1.77 -0.08 2.42 0.20 -0.05 -0.37 118.68 121.66 1uae s LEU 282 Ca 0.12 -0.32 0.00 0.00 0.69 0.00 0.00 54.13 54.63 1uae s LEU 282 Cb -0.11 -0.88 0.02 0.00 -0.43 0.00 0.00 46.19 44.79 1uae s LEU 282 CO 0.02 0.08 -0.07 -0.62 -0.29 0.00 0.00 176.35 175.47 1uae s ASP 283 N 0.41 1.74 0.00 3.68 -1.08 0.75 -0.73 116.67 121.43 1uae s ASP 283 Ca -0.11 -0.23 0.27 0.00 -0.52 0.00 0.00 52.55 51.97 1uae s ASP 283 Cb -0.14 -0.69 0.97 0.00 -1.46 0.00 0.00 42.92 41.60 1uae s ASP 283 CO 0.03 -0.08 1.72 0.23 0.52 0.00 0.00 175.17 177.59 1uae n MET 284 N 4.53 0.32 -3.81 4.34 2.81 0.07 -0.35 117.12 125.04 1uae n MET 284 Ca -0.16 -0.13 -0.27 0.00 -1.81 0.00 0.00 57.70 55.33 1uae n MET 284 Cb 0.51 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.55 1uae n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1uae n HIS 285 N -1.23 -2.25 -0.71 2.03 8.25 -1.26 -0.03 115.22 120.02 1uae n HIS 285 Ca 0.10 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 1uae n HIS 285 Cb 0.32 -4.23 0.00 0.00 1.12 0.00 0.00 29.99 27.19 1uae n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uae n GLY 286 N -1.68 0.65 3.90 -1.41 0.00 -1.25 -5.00 105.19 100.41 1uae n GLY 286 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1uae n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uae s LYS 287 N -0.40 3.61 0.35 1.61 1.02 0.96 -4.92 119.74 121.96 1uae s LYS 287 Ca 0.00 -0.12 -0.28 0.00 0.02 0.00 0.00 55.97 55.59 1uae s LYS 287 Cb 0.00 -2.82 -0.11 0.00 -0.52 0.00 0.00 37.83 34.39 1uae s LYS 287 CO 0.00 0.42 1.44 0.50 -0.92 0.00 0.00 175.35 176.79 1uae s ARG 288 N -2.90 4.18 0.80 1.68 3.52 -1.26 -4.50 118.95 120.47 1uae s ARG 288 Ca 0.41 2.46 -0.13 0.00 -0.13 0.00 0.00 55.73 58.35 1uae s ARG 288 Cb -0.12 -3.01 0.08 0.00 -1.56 0.00 0.00 34.95 30.34 1uae s ARG 288 CO 0.26 -0.44 1.17 -1.25 -0.81 0.00 0.00 175.30 174.23 1uae s PRO 289 N -1.83 1.77 0.10 5.12 0.04 -1.26 -4.77 135.00 134.18 1uae s PRO 289 Ca 0.53 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 1uae s PRO 289 Cb -0.45 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 1uae s PRO 289 CO 0.58 -2.08 0.55 0.15 0.04 0.00 0.00 177.00 176.24 1uae s LYS 290 N -4.26 4.08 0.44 4.56 -0.14 0.11 0.20 119.74 124.73 1uae s LYS 290 Ca 0.70 0.61 -0.25 0.00 -1.36 0.00 0.00 55.97 55.67 1uae s LYS 290 Cb -0.26 -3.09 -0.09 0.00 -1.68 0.00 0.00 37.83 32.71 1uae s LYS 290 CO 0.51 0.57 1.36 0.00 -0.76 0.00 0.00 175.35 177.02 1uae n ALA 291 N 1.30 1.71 -2.39 5.17 0.00 -0.11 -4.38 120.51 121.81 1uae n ALA 291 Ca -0.08 0.25 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 1uae n ALA 291 Cb 0.51 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 1uae n ALA 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1uae s VAL 292 N -1.20 1.66 0.01 0.00 -7.23 -1.26 -4.86 120.40 107.52 1uae s VAL 292 Ca 0.61 -2.06 -0.14 0.00 -1.81 0.00 0.00 61.98 58.58 1uae s VAL 292 Cb -0.47 -1.91 -0.06 0.00 0.56 0.00 0.00 36.38 34.50 1uae s VAL 292 CO 0.58 -0.51 0.41 0.20 -0.31 0.00 0.00 175.10 175.46 1uae s ASN 293 N -3.02 6.80 0.00 4.85 0.02 -1.26 -3.47 114.94 118.86 1uae s ASN 293 Ca 0.18 0.96 0.01 0.00 -1.02 0.00 0.00 52.86 53.00 1uae s ASN 293 Cb -0.02 -2.25 -0.01 0.00 0.02 0.00 0.00 41.25 38.99 1uae s ASN 293 CO 0.06 0.31 -0.04 -0.69 0.02 0.00 0.00 177.10 176.76 1uae s VAL 294 N -1.11 0.32 -0.10 1.60 1.01 -0.32 -4.98 120.40 116.83 1uae s VAL 294 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1uae s VAL 294 Cb -0.17 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 35.94 1uae s VAL 294 CO 0.14 0.00 -0.06 -0.13 0.00 0.00 0.00 175.10 175.05 1uae s ARG 295 N -0.34 1.31 0.49 2.72 0.52 -1.26 -0.44 118.95 121.96 1uae s ARG 295 Ca -0.01 -0.17 -0.20 0.00 -0.52 0.00 0.00 55.73 54.84 1uae s ARG 295 Cb -0.03 -1.45 -0.08 0.00 0.52 0.00 0.00 34.95 33.91 1uae s ARG 295 CO -0.00 -0.28 1.03 0.95 0.02 0.00 0.00 175.30 177.02 1uae s THR 296 N 1.77 3.86 0.16 0.02 -4.23 0.07 -4.37 115.64 112.92 1uae s THR 296 Ca 0.05 1.12 -0.25 0.00 -1.18 0.00 0.00 61.69 61.44 1uae s THR 296 Cb -0.12 -3.46 0.06 0.00 1.34 0.00 0.00 72.50 70.31 1uae s THR 296 CO -0.08 -0.29 0.93 0.00 -0.54 0.00 0.00 174.62 174.65 1uae s ALA 297 N -2.06 -1.62 0.78 3.99 0.00 -0.25 -4.02 121.76 118.59 1uae s ALA 297 Ca 0.66 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 1uae s ALA 297 Cb -0.15 0.65 0.07 0.00 0.00 0.00 0.00 23.12 23.68 1uae s ALA 297 CO 0.21 -1.01 1.17 -2.14 0.00 0.00 0.00 175.76 173.98 1uae s PRO 298 N -3.34 1.88 0.20 0.00 0.02 -1.26 -4.36 135.00 128.14 1uae s PRO 298 Ca 0.11 1.59 -0.32 0.00 0.02 0.00 0.00 61.00 62.40 1uae s PRO 298 Cb -0.02 -1.82 -0.15 0.00 0.02 0.00 0.00 34.50 32.53 1uae s PRO 298 CO 0.02 -1.99 1.27 1.58 -0.33 0.00 0.00 177.00 177.55 1uae n HIS 299 N -3.24 1.69 -0.45 6.54 -0.00 -1.26 -1.62 115.22 116.88 1uae n HIS 299 Ca 0.12 0.57 0.09 0.00 0.46 0.00 0.00 57.72 58.96 1uae n HIS 299 Cb 0.51 -2.36 0.34 0.00 -0.12 0.00 0.00 29.99 28.36 1uae n HIS 299 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1uae n PRO 300 N 1.88 3.56 -0.84 1.57 -0.04 -1.26 -4.45 135.00 135.42 1uae n PRO 300 Ca 0.13 -2.68 -0.29 0.00 -0.04 0.00 0.00 63.50 60.63 1uae n PRO 300 Cb 0.28 -1.86 0.25 0.00 -0.04 0.00 0.00 33.50 32.13 1uae n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uae n ALA 301 N 1.06 -3.65 -1.94 0.55 0.00 -0.64 -4.35 120.51 111.55 1uae n ALA 301 Ca 0.24 -1.55 -0.42 0.00 0.00 0.00 0.00 53.44 51.71 1uae n ALA 301 Cb 0.84 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 1uae n ALA 301 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1uae s PHE 302 N -2.73 2.65 0.13 0.00 2.19 -1.26 -4.79 117.98 114.16 1uae s PHE 302 Ca 0.67 0.44 -0.30 0.00 0.33 0.00 0.00 56.93 58.07 1uae s PHE 302 Cb -0.08 -3.94 -0.06 0.00 -1.31 0.00 0.00 43.02 37.63 1uae s PHE 302 CO 0.53 -3.66 0.97 -1.25 1.83 0.00 0.00 175.22 173.64 1uae s PRO 303 N 2.14 4.70 0.44 10.12 0.04 -1.26 -1.09 135.00 150.09 1uae s PRO 303 Ca 0.72 1.49 0.22 0.00 0.04 0.00 0.00 61.00 63.47 1uae s PRO 303 Cb -0.41 -3.36 1.20 0.00 0.04 0.00 0.00 34.50 31.97 1uae s PRO 303 CO 0.32 0.23 1.82 0.00 0.04 0.00 0.00 177.00 179.40 1uae h THR 304 N 3.92 0.57 0.00 1.26 1.03 -1.92 0.19 112.91 117.95 1uae h THR 304 Ca -0.43 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 1uae h THR 304 Cb 1.21 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1uae h THR 304 CO 0.72 0.06 0.00 0.47 -0.01 0.00 0.00 175.52 176.75 1uae n ASP 305 N -4.49 0.00 -0.71 0.00 8.00 -1.26 -1.59 116.55 116.51 1uae n ASP 305 Ca 0.22 -0.40 0.08 0.00 0.71 0.00 0.00 54.79 55.40 1uae n ASP 305 Cb 0.87 -0.10 0.11 0.00 -0.02 0.00 0.00 41.12 41.98 1uae n ASP 305 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1uae n MET 306 N -1.10 1.71 -0.15 -1.24 2.81 0.05 -4.76 117.12 114.44 1uae n MET 306 Ca 0.13 -1.71 -0.09 0.00 -1.81 0.00 0.00 57.70 54.23 1uae n MET 306 Cb 0.10 -1.32 -0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1uae n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1uae h GLN 307 N 2.95 0.65 -0.82 0.03 -0.00 -1.24 -1.53 115.11 115.15 1uae h GLN 307 Ca 0.00 -0.12 0.02 0.00 -0.00 0.00 0.00 58.65 58.55 1uae h GLN 307 Cb 0.70 -0.10 -0.05 0.00 0.00 0.00 0.00 27.48 28.03 1uae h GLN 307 CO 0.00 0.61 0.54 0.00 0.00 0.00 0.00 178.83 179.98 1uae h ALA 308 N 1.01 1.07 -0.14 3.38 0.00 -1.86 0.11 119.26 122.83 1uae h ALA 308 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uae h ALA 308 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1uae h ALA 308 CO -0.01 0.39 0.08 1.96 0.00 0.00 0.00 179.25 181.67 1uae h GLN 309 N 1.06 0.20 0.00 0.00 7.50 -1.81 -1.60 115.11 120.46 1uae h GLN 309 Ca 0.32 -0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.37 1uae h GLN 309 Cb -0.04 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1uae h GLN 309 CO -0.10 0.22 -0.34 0.74 -1.50 0.00 0.00 178.83 177.85 1uae h PHE 310 N 0.12 0.00 0.06 2.96 -1.00 -1.02 -1.65 116.94 116.41 1uae h PHE 310 Ca 0.05 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.86 1uae h PHE 310 Cb 0.08 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.60 1uae h PHE 310 CO -0.04 0.34 -0.31 1.15 -1.61 0.00 0.00 178.31 177.84 1uae h THR 311 N 0.00 0.33 -0.45 -1.55 2.02 -0.43 0.19 112.91 113.02 1uae h THR 311 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1uae h THR 311 Cb 0.74 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1uae h THR 311 CO 0.04 0.00 0.16 0.25 0.37 0.00 0.00 175.52 176.35 1uae h LEU 312 N -0.50 0.18 -0.34 2.58 5.85 -1.09 -0.39 115.31 121.60 1uae h LEU 312 Ca 0.05 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1uae h LEU 312 Cb 0.56 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1uae h LEU 312 CO -0.22 0.13 -0.02 0.25 -0.34 0.00 0.00 178.44 178.24 1uae h LEU 313 N 0.34 -0.18 -1.39 2.25 6.46 -0.94 -1.50 115.31 120.35 1uae h LEU 313 Ca 0.21 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 58.08 1uae h LEU 313 Cb 0.21 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 1uae h LEU 313 CO -0.21 -0.05 0.42 0.78 -0.62 0.00 0.00 178.44 178.76 1uae h ASN 314 N 0.07 0.69 0.76 1.25 4.21 -0.72 -0.49 115.58 121.36 1uae h ASN 314 Ca 0.17 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.66 1uae h ASN 314 Cb 0.23 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1uae h ASN 314 CO -0.30 0.49 0.00 0.18 -1.29 0.00 0.00 177.43 176.51 1uae n LEU 315 N -4.45 0.46 -0.25 1.61 4.77 -0.18 -2.70 117.00 116.25 1uae n LEU 315 Ca 0.07 0.60 0.02 0.00 -0.03 0.00 0.00 56.01 56.68 1uae n LEU 315 Cb 0.09 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 40.71 1uae n LEU 315 CO 0.35 -0.40 0.52 1.33 -1.33 0.00 0.00 177.39 177.86 1uae n VAL 316 N -1.99 0.86 -1.84 4.08 0.24 -0.87 -0.98 118.33 117.83 1uae n VAL 316 Ca 0.03 -0.93 -0.29 0.00 -2.04 0.00 0.00 64.34 61.11 1uae n VAL 316 Cb 0.24 0.58 0.08 0.00 -1.47 0.00 0.00 33.84 33.27 1uae n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uae s ALA 317 N -0.91 2.64 -0.38 2.33 0.00 -0.24 -4.56 121.76 120.63 1uae s ALA 317 Ca 0.09 -0.50 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 1uae s ALA 317 Cb 0.05 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1uae s ALA 317 CO 0.06 -1.54 0.77 -2.00 0.00 0.00 0.00 175.76 173.05 1uae s GLU 318 N -5.45 3.66 0.00 0.00 2.12 0.13 -3.46 118.70 115.70 1uae s GLU 318 Ca 0.61 0.18 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1uae s GLU 318 Cb -0.12 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.43 1uae s GLU 318 CO 0.51 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 1uae n GLY 319 N 4.66 0.69 3.60 -1.50 0.00 -1.26 -0.93 105.19 110.45 1uae n GLY 319 Ca 0.02 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.40 1uae n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uae s THR 320 N -0.72 4.87 0.05 2.61 2.01 -1.26 -0.61 115.64 122.58 1uae s THR 320 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 1uae s THR 320 Cb 0.00 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1uae s THR 320 CO 0.00 0.40 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.35 1uae s GLY 321 N 0.83 0.85 -0.19 4.40 0.00 0.74 -4.73 107.32 109.21 1uae s GLY 321 Ca 0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.85 1uae s GLY 321 CO 0.02 -0.87 -0.08 -1.36 0.00 0.00 0.00 173.10 170.81 1uae s PHE 322 N -0.93 2.91 -0.21 1.90 0.40 -1.23 0.03 117.98 120.85 1uae s PHE 322 Ca 0.02 -0.93 0.01 0.00 -0.60 0.00 0.00 56.93 55.42 1uae s PHE 322 Cb -0.08 -2.02 0.03 0.00 0.51 0.00 0.00 43.02 41.45 1uae s PHE 322 CO 0.02 -0.49 -0.15 0.42 0.70 0.00 0.00 175.22 175.72 1uae s ILE 323 N 1.17 2.32 -0.24 0.64 1.01 0.41 -1.17 121.20 125.34 1uae s ILE 323 Ca 0.02 -1.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 1uae s ILE 323 Cb -0.14 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 1uae s ILE 323 CO -0.02 0.38 0.07 -0.89 0.00 0.00 0.00 174.94 174.47 1uae s THR 324 N 1.28 4.37 -0.35 2.92 2.01 0.42 -0.23 115.64 126.05 1uae s THR 324 Ca 0.02 -0.16 -0.15 0.00 0.31 0.00 0.00 61.69 61.72 1uae s THR 324 Cb -0.15 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 1uae s THR 324 CO -0.09 0.36 0.33 -0.70 -0.69 0.00 0.00 174.62 173.82 1uae s GLU 325 N 1.44 3.49 0.00 4.92 2.56 0.67 -0.75 118.70 131.03 1uae s GLU 325 Ca 0.05 -0.52 0.14 0.00 0.00 0.00 0.00 54.97 54.64 1uae s GLU 325 Cb -0.15 -3.82 -0.04 0.00 2.00 0.00 0.00 34.13 32.12 1uae s GLU 325 CO 0.04 -0.54 0.74 0.25 -0.56 0.00 0.00 175.26 175.19 1uae n THR 326 N 5.22 0.00 -0.07 -1.70 -2.24 -1.26 -4.69 114.28 109.54 1uae n THR 326 Ca -0.10 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 1uae n THR 326 Cb 0.49 1.13 -0.13 0.00 -2.10 0.00 0.00 70.33 69.72 1uae n THR 326 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1uae n VAL 327 N -0.46 1.63 -4.87 2.28 0.31 -1.26 -4.94 118.33 111.02 1uae n VAL 327 Ca 0.05 -0.51 -0.29 0.00 -0.01 0.00 0.00 64.34 63.57 1uae n VAL 327 Cb 0.28 -1.69 -0.15 0.00 -0.91 0.00 0.00 33.84 31.37 1uae n VAL 327 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1uae s PHE 328 N -2.51 2.24 -1.92 3.52 0.08 -1.26 -5.05 117.98 113.07 1uae s PHE 328 Ca -0.29 -0.41 0.26 0.00 0.12 0.00 0.00 56.93 56.61 1uae s PHE 328 Cb 0.08 -1.34 0.72 0.00 -0.57 0.00 0.00 43.02 41.91 1uae s PHE 328 CO 0.66 0.12 1.55 -0.85 -0.10 0.00 0.00 175.22 176.59 1uae n GLU 329 N 1.80 1.03 -2.78 0.44 0.00 -1.24 -4.33 120.64 115.56 1uae n GLU 329 Ca -0.17 -0.64 -0.14 0.00 0.00 0.00 0.00 57.16 56.21 1uae n GLU 329 Cb 0.52 -1.49 0.01 0.00 0.00 0.00 0.00 31.44 30.48 1uae n GLU 329 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1uae n ASN 330 N -0.43 1.75 -1.95 -1.84 5.15 -0.09 -4.90 115.26 112.96 1uae n ASN 330 Ca 0.13 -2.93 -0.23 0.00 -0.60 0.00 0.00 54.58 50.95 1uae n ASN 330 Cb 0.37 -0.55 0.04 0.00 -0.53 0.00 0.00 39.78 39.11 1uae n ASN 330 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1uae n ARG 331 N -0.03 3.33 -0.20 1.20 0.63 -1.25 -4.34 116.66 116.01 1uae n ARG 331 Ca 0.17 -3.98 0.08 0.00 -0.92 0.00 0.00 57.85 53.20 1uae n ARG 331 Cb 0.75 -2.23 0.17 0.00 0.45 0.00 0.00 32.46 31.60 1uae n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1uae n PHE 332 N -0.77 0.36 0.31 -0.14 3.72 -1.26 -4.79 117.46 114.88 1uae n PHE 332 Ca 0.45 -0.87 0.17 0.00 -0.05 0.00 0.00 57.45 57.15 1uae n PHE 332 Cb 0.92 -0.19 0.98 0.00 -0.94 0.00 0.00 39.48 40.25 1uae n PHE 332 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1uae h MET 333 N 0.77 0.00 0.00 -1.08 2.86 -1.99 -0.95 114.93 114.54 1uae h MET 333 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1uae h MET 333 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1uae h MET 333 CO 0.08 0.00 -0.22 1.12 1.06 0.00 0.00 176.91 178.95 1uae h HIS 334 N 0.00 0.00 0.06 -0.22 2.07 -1.94 -3.36 115.15 111.76 1uae h HIS 334 Ca -0.00 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.54 1uae h HIS 334 Cb 0.01 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.96 1uae h HIS 334 CO 0.00 0.22 -0.24 0.28 -3.07 0.00 0.00 177.93 175.12 1uae h VAL 335 N 0.00 0.46 0.00 6.12 2.07 -1.54 -0.77 116.25 122.59 1uae h VAL 335 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1uae h VAL 335 Cb 0.51 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1uae h VAL 335 CO 0.03 0.00 -0.15 1.55 0.02 0.00 0.00 177.57 179.02 1uae h PRO 336 N -0.40 0.00 -0.51 1.57 0.13 -1.75 1.00 132.00 132.03 1uae h PRO 336 Ca 0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.06 1uae h PRO 336 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1uae h PRO 336 CO -0.17 0.15 -0.12 0.93 -0.23 0.00 0.00 178.00 178.56 1uae h GLU 337 N 0.00 0.98 -0.57 0.86 4.39 -1.62 -0.52 114.58 118.10 1uae h GLU 337 Ca -0.00 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.30 1uae h GLU 337 Cb 0.34 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1uae h GLU 337 CO 0.02 1.05 0.24 -0.07 -1.16 0.00 0.00 179.01 179.08 1uae h LEU 338 N 0.84 0.74 -1.27 1.33 3.38 -0.40 -2.81 115.31 117.11 1uae h LEU 338 Ca 0.13 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1uae h LEU 338 Cb 0.69 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1uae h LEU 338 CO 0.05 0.66 -0.16 0.28 0.09 0.00 0.00 178.44 179.35 1uae h SER 339 N 0.81 0.28 0.01 -0.43 0.02 -0.51 -0.27 113.55 113.46 1uae h SER 339 Ca 0.19 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1uae h SER 339 Cb 0.14 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1uae h SER 339 CO -0.02 0.47 -0.00 0.03 -1.14 0.00 0.00 176.83 176.17 1uae h ARG 340 N 0.28 0.00 -0.65 3.45 3.08 -0.83 -1.92 114.38 117.79 1uae h ARG 340 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1uae h ARG 340 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1uae h ARG 340 CO 0.03 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.60 1uae n MET 341 N -3.51 3.10 -0.48 0.04 2.81 -0.16 -4.81 117.12 114.11 1uae n MET 341 Ca -0.03 -1.97 0.00 0.00 -1.81 0.00 0.00 57.70 53.89 1uae n MET 341 Cb 0.08 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 30.78 1uae n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uae n GLY 342 N 0.69 0.94 3.63 3.03 0.00 -0.72 -0.53 105.19 112.22 1uae n GLY 342 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1uae n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae n ALA 343 N -0.38 0.17 -3.67 4.61 0.00 -0.90 -4.97 120.51 115.37 1uae n ALA 343 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 1uae n ALA 343 Cb 0.00 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.23 1uae n ALA 343 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1uae s HIS 344 N -1.59 3.61 0.13 0.00 0.09 -1.26 -4.61 115.29 111.65 1uae s HIS 344 Ca 0.77 -2.81 0.10 0.00 -0.00 0.00 0.00 55.06 53.11 1uae s HIS 344 Cb -0.39 -3.24 -0.04 0.00 -0.00 0.00 0.00 32.58 28.92 1uae s HIS 344 CO 0.47 -0.80 -0.23 0.00 -0.00 0.00 0.00 174.74 174.18 1uae s ALA 345 N -0.59 2.53 -0.03 -1.40 0.00 -1.26 -0.74 121.76 120.26 1uae s ALA 345 Ca 0.21 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1uae s ALA 345 Cb -0.14 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1uae s ALA 345 CO -0.07 0.56 -0.10 -2.00 0.00 0.00 0.00 175.76 174.15 1uae s GLU 346 N -2.12 1.11 -0.15 0.00 2.12 0.11 -4.96 118.70 114.80 1uae s GLU 346 Ca 0.16 -0.33 -0.12 0.00 0.36 0.00 0.00 54.97 55.04 1uae s GLU 346 Cb -0.10 -1.01 -0.05 0.00 0.26 0.00 0.00 34.13 33.23 1uae s GLU 346 CO 0.08 0.10 0.24 0.42 -0.54 0.00 0.00 175.26 175.56 1uae s ILE 347 N 0.30 5.34 -0.24 -3.70 1.01 -1.26 0.04 121.20 122.68 1uae s ILE 347 Ca -0.05 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.04 1uae s ILE 347 Cb -0.10 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.86 1uae s ILE 347 CO 0.01 0.45 -0.05 -1.61 0.00 0.00 0.00 174.94 173.74 1uae s GLU 348 N 0.11 1.61 7.41 2.79 2.02 0.12 -4.99 118.70 127.77 1uae s GLU 348 Ca 0.15 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1uae s GLU 348 Cb -0.13 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1uae s GLU 348 CO 0.03 -0.61 0.00 0.45 0.02 0.00 0.00 175.26 175.15 1uae n SER 349 N 4.67 0.00 -0.40 -0.19 2.88 -1.26 -1.58 113.62 117.74 1uae n SER 349 Ca -0.12 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.44 1uae n SER 349 Cb 0.44 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.95 1uae n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1uae n ASN 350 N 4.46 1.00 -4.18 -3.46 2.04 -1.26 -4.84 115.26 109.02 1uae n ASN 350 Ca 0.00 -2.05 -0.29 0.00 -0.44 0.00 0.00 54.58 51.79 1uae n ASN 350 Cb 0.00 -0.25 -0.17 0.00 -2.53 0.00 0.00 39.78 36.83 1uae n ASN 350 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1uae s THR 351 N -1.61 1.78 -0.25 5.53 2.01 -0.61 -0.24 115.64 122.25 1uae s THR 351 Ca 0.07 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 1uae s THR 351 Cb 0.04 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 1uae s THR 351 CO 0.04 0.50 0.17 0.54 -0.69 0.00 0.00 174.62 175.17 1uae s VAL 352 N 0.20 5.33 -0.26 3.82 0.11 0.68 0.11 120.40 130.39 1uae s VAL 352 Ca -0.11 0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1uae s VAL 352 Cb -0.15 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 1uae s VAL 352 CO 0.05 0.32 0.48 -0.63 -3.33 0.00 0.00 175.10 171.99 1uae s ILE 353 N 1.25 5.10 -0.12 7.04 1.01 0.11 -0.45 121.20 135.14 1uae s ILE 353 Ca 0.07 0.80 0.02 0.00 0.00 0.00 0.00 60.65 61.54 1uae s ILE 353 Cb -0.14 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1uae s ILE 353 CO 0.06 0.11 -0.18 0.00 0.00 0.00 0.00 174.94 174.93 1uae s HIS 355 N 0.44 3.48 0.36 0.00 3.76 0.08 -0.19 115.29 123.23 1uae s HIS 355 Ca -0.13 -2.42 -0.28 0.00 -0.15 0.00 0.00 55.06 52.08 1uae s HIS 355 Cb -0.17 -2.55 -0.10 0.00 1.11 0.00 0.00 32.58 30.87 1uae s HIS 355 CO 0.06 -0.90 1.35 0.20 -0.85 0.00 0.00 174.74 174.60 1uae s GLY 356 N 1.24 2.97 0.30 -2.22 0.00 0.22 -4.32 107.32 105.51 1uae s GLY 356 Ca 0.02 1.33 0.08 0.00 0.00 0.00 0.00 44.72 46.15 1uae s GLY 356 CO -0.05 1.97 0.13 -1.34 0.00 0.00 0.00 173.10 173.81 1uae s VAL 357 N -1.17 3.46 0.15 1.40 -7.23 -0.15 -4.66 120.40 112.20 1uae s VAL 357 Ca 0.52 -1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 58.94 1uae s VAL 357 Cb -0.41 -3.04 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 1uae s VAL 357 CO 0.54 -0.27 1.42 -0.08 -0.31 0.00 0.00 175.10 176.40 1uae h GLU 358 N 1.60 0.69 -3.60 4.82 4.81 -1.87 -3.39 114.58 117.65 1uae h GLU 358 Ca -0.45 -0.48 -0.19 0.00 -0.13 0.00 0.00 59.36 58.11 1uae h GLU 358 Cb 1.25 0.07 -0.25 0.00 0.63 0.00 0.00 28.75 30.45 1uae h GLU 358 CO 0.61 1.10 -0.61 0.21 -0.73 0.00 0.00 179.01 179.60 1uae s LYS 359 N -3.92 0.20 0.46 1.92 2.20 -1.26 -5.02 119.74 114.32 1uae s LYS 359 Ca -0.09 -0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1uae s LYS 359 Cb 0.10 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1uae s LYS 359 CO 0.87 -0.04 0.67 -0.51 -0.36 0.00 0.00 175.35 175.99 1uae s LEU 360 N -0.45 3.60 0.02 5.43 1.43 -1.26 -4.93 118.68 122.51 1uae s LEU 360 Ca -0.05 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1uae s LEU 360 Cb -0.03 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1uae s LEU 360 CO 0.00 -0.76 -0.01 -0.44 0.23 0.00 0.00 176.35 175.37 1uae s SER 361 N -4.26 5.01 0.48 2.29 0.01 0.31 -0.70 113.70 116.84 1uae s SER 361 Ca 0.50 -0.07 -0.24 0.00 1.31 0.00 0.00 55.95 57.46 1uae s SER 361 Cb -0.10 -1.26 -0.07 0.00 0.21 0.00 0.00 66.02 64.79 1uae s SER 361 CO 0.37 0.26 1.31 0.61 0.41 0.00 0.00 173.24 176.20 1uae n GLY 362 N 1.26 0.65 3.45 3.44 0.00 -0.05 -4.48 105.19 109.46 1uae n GLY 362 Ca -0.14 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1uae n GLY 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae s ALA 363 N -1.25 -1.66 -0.36 4.61 0.00 -1.01 -4.87 121.76 117.21 1uae s ALA 363 Ca 0.66 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 1uae s ALA 363 Cb -0.46 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1uae s ALA 363 CO 0.54 -0.64 1.07 -0.65 0.00 0.00 0.00 175.76 176.08 1uae s GLN 364 N -2.94 3.96 0.18 0.00 -1.52 -1.26 -1.62 119.66 116.46 1uae s GLN 364 Ca -0.03 0.90 0.03 0.00 -1.95 0.00 0.00 55.36 54.32 1uae s GLN 364 Cb -0.01 -3.78 -0.05 0.00 -0.22 0.00 0.00 33.01 28.95 1uae s GLN 364 CO -0.06 -1.02 -0.04 0.14 -0.25 0.00 0.00 175.29 174.06 1uae s VAL 365 N 3.83 0.96 -0.04 1.09 -7.23 -0.29 -4.96 120.40 113.77 1uae s VAL 365 Ca 0.45 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1uae s VAL 365 Cb -0.11 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.79 1uae s VAL 365 CO 0.20 -0.56 -0.07 -0.32 -0.31 0.00 0.00 175.10 174.04 1uae s MET 366 N -3.83 1.01 0.15 4.82 1.75 -1.26 -0.23 119.30 121.70 1uae s MET 366 Ca 0.22 -0.22 -0.31 0.00 -1.25 0.00 0.00 55.69 54.13 1uae s MET 366 Cb 0.05 -0.93 -0.09 0.00 2.84 0.00 0.00 34.83 36.70 1uae s MET 366 CO 0.03 0.00 1.40 0.00 -0.65 0.00 0.00 175.02 175.81 1uae s ALA 367 N 0.61 3.60 -0.07 4.11 0.00 -0.49 -4.92 121.76 124.61 1uae s ALA 367 Ca -0.09 1.17 0.16 0.00 0.00 0.00 0.00 51.96 53.19 1uae s ALA 367 Cb -0.13 -3.54 -0.23 0.00 0.00 0.00 0.00 23.12 19.22 1uae s ALA 367 CO 0.01 -0.63 0.25 0.25 0.00 0.00 0.00 175.76 175.64 1uae n THR 368 N 3.52 0.39 -3.69 0.00 -2.24 -1.26 -4.81 114.28 106.20 1uae n THR 368 Ca 0.10 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 1uae n THR 368 Cb 0.42 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1uae n THR 368 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1uae s ASP 369 N -4.27 -0.37 0.15 3.42 1.47 -1.26 -4.64 116.67 111.17 1uae s ASP 369 Ca -0.07 -0.37 -0.29 0.00 1.18 0.00 0.00 52.55 53.00 1uae s ASP 369 Cb 0.08 0.66 -0.04 0.00 -0.34 0.00 0.00 42.92 43.29 1uae s ASP 369 CO 0.67 -1.17 1.56 0.25 0.68 0.00 0.00 175.17 177.15 1uae h LEU 370 N 2.02 -1.71 -0.49 2.11 5.85 -1.98 -0.55 115.31 120.57 1uae h LEU 370 Ca -0.26 0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 1uae h LEU 370 Cb 1.27 0.74 -0.02 0.00 0.37 0.00 0.00 40.66 43.02 1uae h LEU 370 CO 0.30 -0.36 -0.76 0.03 -0.34 0.00 0.00 178.44 177.32 1uae h ARG 371 N -0.29 0.02 -0.67 1.25 2.47 -1.92 -2.64 114.38 112.60 1uae h ARG 371 Ca 0.13 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1uae h ARG 371 Cb 0.57 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1uae h ARG 371 CO -0.66 0.77 0.42 0.00 0.56 0.00 0.00 179.97 181.05 1uae h ALA 372 N 1.23 0.85 -0.26 0.04 0.00 -1.93 -2.22 119.26 116.97 1uae h ALA 372 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1uae h ALA 372 Cb 1.34 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1uae h ALA 372 CO 0.10 0.31 0.08 0.66 0.00 0.00 0.00 179.25 180.40 1uae h SER 373 N 0.91 0.07 -0.58 0.00 4.64 -0.83 -0.46 113.55 117.31 1uae h SER 373 Ca 0.24 0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.67 1uae h SER 373 Cb -0.05 0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.00 1uae h SER 373 CO -0.05 0.08 0.22 0.00 -0.87 0.00 0.00 176.83 176.21 1uae h ALA 374 N 1.17 0.74 -0.68 5.18 0.00 -1.43 0.84 119.26 125.08 1uae h ALA 374 Ca 0.12 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1uae h ALA 374 Cb 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1uae h ALA 374 CO -0.13 -0.18 0.35 0.77 0.00 0.00 0.00 179.25 180.06 1uae h SER 375 N 0.41 0.50 -0.33 0.00 0.02 -1.05 -0.20 113.55 112.89 1uae h SER 375 Ca 0.28 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.12 1uae h SER 375 Cb 0.32 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1uae h SER 375 CO -0.28 0.31 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.27 1uae h LEU 376 N 0.63 0.94 -0.43 5.07 3.38 -0.59 -0.73 115.31 123.58 1uae h LEU 376 Ca 0.32 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1uae h LEU 376 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1uae h LEU 376 CO -0.22 1.20 0.25 0.58 0.09 0.00 0.00 178.44 180.34 1uae h VAL 377 N 0.72 1.03 -0.78 1.22 2.07 -0.58 -1.16 116.25 118.77 1uae h VAL 377 Ca 0.06 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.53 1uae h VAL 377 Cb 0.96 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1uae h VAL 377 CO 0.09 0.09 0.40 -0.07 0.02 0.00 0.00 177.57 178.10 1uae h LEU 378 N 0.50 0.50 -0.65 2.57 4.07 -0.95 -1.33 115.31 120.02 1uae h LEU 378 Ca 0.17 0.07 0.10 0.00 0.08 0.00 0.00 57.88 58.31 1uae h LEU 378 Cb 0.02 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.68 1uae h LEU 378 CO -0.09 0.25 0.26 0.00 -1.08 0.00 0.00 178.44 177.79 1uae h ALA 379 N 1.49 0.86 -0.31 1.53 0.00 -0.98 -2.01 119.26 119.84 1uae h ALA 379 Ca 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1uae h ALA 379 Cb 0.49 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1uae h ALA 379 CO -0.31 -0.16 0.11 0.78 0.00 0.00 0.00 179.25 179.66 1uae h GLY 380 N 0.45 0.47 1.35 0.00 0.00 -0.45 0.42 103.07 105.30 1uae h GLY 380 Ca 0.33 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 1uae h GLY 380 CO -0.31 0.21 -0.11 0.00 0.00 0.00 0.00 176.54 176.33 1uae n ILE 382 N -4.16 0.00 -1.87 0.00 -5.35 -1.09 -0.18 119.36 106.71 1uae n ILE 382 Ca 0.01 -0.02 -0.32 0.00 -0.27 0.00 0.00 62.75 62.14 1uae n ILE 382 Cb 0.37 0.64 0.03 0.00 -1.74 0.00 0.00 39.64 38.93 1uae n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1uae s ALA 383 N -2.93 2.65 -0.29 -1.28 0.00 0.12 -4.49 121.76 115.54 1uae s ALA 383 Ca 0.11 0.37 -0.27 0.00 0.00 0.00 0.00 51.96 52.17 1uae s ALA 383 Cb 0.17 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 20.06 1uae s ALA 383 CO 0.75 -1.02 0.96 -2.00 0.00 0.00 0.00 175.76 174.45 1uae s GLU 384 N -4.27 4.09 0.00 0.00 2.56 0.12 -1.90 118.70 119.30 1uae s GLU 384 Ca 0.63 0.98 0.00 0.00 0.00 0.00 0.00 54.97 56.58 1uae s GLU 384 Cb -0.17 -3.71 0.00 0.00 2.00 0.00 0.00 34.13 32.26 1uae s GLU 384 CO 0.42 -0.75 0.00 0.41 -0.56 0.00 0.00 175.26 174.78 1uae n GLY 385 N 3.84 -0.54 3.72 -1.50 0.00 -0.07 -0.87 105.19 109.77 1uae n GLY 385 Ca 0.09 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 1uae n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uae s THR 386 N 0.00 5.32 -0.08 2.61 2.01 -1.26 -0.50 115.64 123.74 1uae s THR 386 Ca 0.00 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1uae s THR 386 Cb 0.00 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1uae s THR 386 CO 0.00 0.45 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.35 1uae s THR 387 N 0.34 3.06 -0.28 -0.82 2.01 0.61 -2.41 115.64 118.15 1uae s THR 387 Ca 0.07 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 1uae s THR 387 Cb -0.11 -2.24 0.04 0.00 0.01 0.00 0.00 72.50 70.20 1uae s THR 387 CO -0.02 0.56 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.78 1uae s VAL 388 N -0.27 3.08 -0.46 3.82 1.01 -0.64 -0.12 120.40 126.83 1uae s VAL 388 Ca 0.02 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 1uae s VAL 388 Cb -0.13 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1uae s VAL 388 CO 0.03 0.03 0.75 -0.69 0.00 0.00 0.00 175.10 175.22 1uae s VAL 389 N 1.31 4.69 0.54 2.92 1.01 0.12 -1.14 120.40 129.85 1uae s VAL 389 Ca -0.02 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1uae s VAL 389 Cb -0.18 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.83 1uae s VAL 389 CO -0.02 -0.73 0.97 -0.62 0.00 0.00 0.00 175.10 174.70 1uae s ASP 390 N 2.21 6.46 -1.17 3.32 2.15 0.68 -0.82 116.67 129.51 1uae s ASP 390 Ca 0.27 1.44 -0.06 0.00 0.43 0.00 0.00 52.55 54.63 1uae s ASP 390 Cb -0.13 -2.46 0.01 0.00 -0.30 0.00 0.00 42.92 40.03 1uae s ASP 390 CO 0.21 -0.66 1.01 0.54 -0.17 0.00 0.00 175.17 176.09 1uae n ARG 391 N -1.98 -6.78 0.00 4.34 1.74 -1.11 -1.39 116.66 111.48 1uae n ARG 391 Ca 0.06 0.74 0.06 0.00 -0.77 0.00 0.00 57.85 57.93 1uae n ARG 391 Cb 0.54 -5.49 0.28 0.00 -1.02 0.00 0.00 32.46 26.77 1uae n ARG 391 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1uae n ILE 392 N -4.50 0.98 -0.18 0.55 0.13 -0.93 -2.78 119.36 112.64 1uae n ILE 392 Ca -0.05 0.25 0.18 0.00 -1.10 0.00 0.00 62.75 62.02 1uae n ILE 392 Cb 0.58 -1.03 0.53 0.00 -0.84 0.00 0.00 39.64 38.87 1uae n ILE 392 CO 0.00 0.00 0.00 0.10 2.80 0.00 0.00 176.55 179.45 1uae h TYR 393 N 0.00 0.45 -0.81 9.51 -0.00 -1.91 0.57 116.97 124.78 1uae h TYR 393 Ca 0.00 0.01 0.19 0.00 0.00 0.00 0.00 58.73 58.94 1uae h TYR 393 Cb 0.18 -0.14 -0.13 0.00 0.00 0.00 0.00 36.73 36.64 1uae h TYR 393 CO 0.00 0.15 0.18 0.45 -0.00 0.00 0.00 178.16 178.95 1uae h HIS 394 N 0.37 0.27 -0.60 0.10 3.86 -1.89 0.12 115.15 117.38 1uae h HIS 394 Ca 0.40 0.05 0.10 0.00 -1.16 0.00 0.00 60.37 59.75 1uae h HIS 394 Cb 1.01 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.45 1uae h HIS 394 CO -0.00 -0.15 0.41 0.97 0.86 0.00 0.00 177.93 180.01 1uae h ILE 395 N 0.23 0.90 0.00 2.45 2.10 -1.13 -1.62 117.51 120.45 1uae h ILE 395 Ca 0.48 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 66.27 1uae h ILE 395 Cb 0.88 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1uae h ILE 395 CO -0.59 0.08 0.00 0.47 -1.08 0.00 0.00 178.15 177.03 1uae n ASP 396 N -4.47 0.18 0.24 2.19 8.00 0.03 -1.33 116.55 121.38 1uae n ASP 396 Ca 0.10 0.53 0.09 0.00 0.71 0.00 0.00 54.79 56.23 1uae n ASP 396 Cb 0.36 -0.58 0.58 0.00 -0.02 0.00 0.00 41.12 41.47 1uae n ASP 396 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1uae h ARG 397 N 0.00 0.00 0.00 -1.24 3.08 -1.29 -0.80 114.38 114.13 1uae h ARG 397 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1uae h ARG 397 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1uae h ARG 397 CO 0.00 0.20 -0.19 0.41 -1.07 0.00 0.00 179.97 179.32 1uae n GLY 398 N -0.48 0.67 3.06 0.04 0.00 -0.62 -4.20 105.19 103.67 1uae n GLY 398 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1uae n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uae s TYR 399 N -0.77 2.61 -0.02 1.61 1.51 -0.44 -4.79 117.35 117.06 1uae s TYR 399 Ca 0.00 -1.61 -0.30 0.00 -1.01 0.00 0.00 57.07 54.15 1uae s TYR 399 Cb 0.00 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 40.02 1uae s TYR 399 CO 0.00 -0.77 1.33 -2.00 -1.11 0.00 0.00 175.55 173.00 1uae s GLU 400 N 1.34 4.31 -1.47 -0.62 2.12 -1.26 -4.13 118.70 118.99 1uae s GLU 400 Ca 0.02 1.87 -0.06 0.00 0.36 0.00 0.00 54.97 57.15 1uae s GLU 400 Cb -0.14 -3.56 0.05 0.00 0.26 0.00 0.00 34.13 30.73 1uae s GLU 400 CO -0.10 -0.52 0.65 0.54 -0.54 0.00 0.00 175.26 175.28 1uae n ARG 401 N 5.26 -4.03 -0.32 4.30 1.74 -1.26 -4.83 116.66 117.52 1uae n ARG 401 Ca 0.12 0.48 -0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1uae n ARG 401 Cb 0.44 -4.95 0.17 0.00 -1.02 0.00 0.00 32.46 27.11 1uae n ARG 401 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1uae h ILE 402 N -1.83 1.20 -0.24 0.55 6.09 -1.96 -1.04 117.51 120.28 1uae h ILE 402 Ca -0.61 -0.41 0.03 0.00 -1.37 0.00 0.00 64.86 62.49 1uae h ILE 402 Cb 1.37 -0.11 -0.03 0.00 0.47 0.00 0.00 36.82 38.53 1uae h ILE 402 CO 0.65 0.22 0.07 -0.08 -3.07 0.00 0.00 178.15 175.94 1uae h GLU 403 N 1.20 0.17 0.09 2.19 4.81 -1.94 0.30 114.58 121.39 1uae h GLU 403 Ca 0.35 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1uae h GLU 403 Cb -0.07 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1uae h GLU 403 CO -0.09 0.11 -0.04 -0.44 -0.73 0.00 0.00 179.01 177.82 1uae h ASP 404 N 0.18 -0.10 -0.30 1.04 3.32 -1.85 -0.06 116.42 118.65 1uae h ASP 404 Ca 0.11 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1uae h ASP 404 Cb 0.08 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 1uae h ASP 404 CO -0.12 0.06 -0.20 0.11 -1.72 0.00 0.00 179.24 177.37 1uae h LYS 405 N -0.25 -0.17 -0.79 3.56 1.57 -1.10 -0.33 116.57 119.06 1uae h LYS 405 Ca -0.01 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1uae h LYS 405 Cb 0.21 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1uae h LYS 405 CO 0.02 -0.11 0.34 -0.07 -0.57 0.00 0.00 179.45 179.06 1uae h LEU 406 N -0.17 1.08 -0.55 2.94 3.38 -0.40 -2.66 115.31 118.92 1uae h LEU 406 Ca 0.16 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1uae h LEU 406 Cb 0.41 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1uae h LEU 406 CO -0.40 0.94 0.14 -0.09 0.09 0.00 0.00 178.44 179.12 1uae h ARG 407 N 1.14 0.27 0.00 1.13 2.43 -0.87 0.21 114.38 118.70 1uae h ARG 407 Ca 0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1uae h ARG 407 Cb 0.18 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1uae h ARG 407 CO -0.03 0.18 0.00 0.00 -1.51 0.00 0.00 179.97 178.61 1uae h ALA 408 N 1.42 1.00 -0.43 2.80 0.00 -0.72 -0.61 119.26 122.72 1uae h ALA 408 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1uae h ALA 408 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1uae h ALA 408 CO -0.34 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.19 1uae n LEU 409 N -2.47 3.23 0.00 0.00 4.77 0.61 -4.78 117.00 118.36 1uae n LEU 409 Ca -0.02 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 1uae n LEU 409 Cb 0.05 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1uae n LEU 409 CO 0.12 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1uae n GLY 410 N 1.47 0.65 3.79 -0.72 0.00 -0.23 -1.54 105.19 108.60 1uae n GLY 410 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1uae n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uae s ALA 411 N -2.00 2.81 -0.66 4.61 0.00 -0.34 -4.78 121.76 121.40 1uae s ALA 411 Ca 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 1uae s ALA 411 Cb 0.00 -3.27 0.17 0.00 0.00 0.00 0.00 23.12 20.02 1uae s ALA 411 CO 0.00 -0.48 0.56 1.21 0.00 0.00 0.00 175.76 177.05 1uae s ASN 412 N -2.03 6.10 -0.02 0.00 3.04 -1.26 -4.43 114.94 116.34 1uae s ASN 412 Ca 0.68 -2.41 0.07 0.00 0.04 0.00 0.00 52.86 51.24 1uae s ASN 412 Cb -0.18 -2.09 -0.02 0.00 -1.54 0.00 0.00 41.25 37.43 1uae s ASN 412 CO 0.24 -0.60 -0.22 -0.63 -3.04 0.00 0.00 177.10 172.84 1uae s ILE 413 N 0.61 1.76 -0.08 -5.21 1.01 -1.26 -1.11 121.20 116.93 1uae s ILE 413 Ca 0.13 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1uae s ILE 413 Cb -0.19 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1uae s ILE 413 CO -0.04 0.50 -0.16 -0.70 0.00 0.00 0.00 174.94 174.54 1uae s GLU 414 N -0.52 2.20 -0.18 2.79 2.12 0.11 -4.99 118.70 120.23 1uae s GLU 414 Ca 0.09 -0.58 -0.28 0.00 0.36 0.00 0.00 54.97 54.56 1uae s GLU 414 Cb -0.09 -1.76 -0.00 0.00 0.26 0.00 0.00 34.13 32.54 1uae s GLU 414 CO -0.01 0.06 0.96 0.50 -0.54 0.00 0.00 175.26 176.23 1uae s ARG 415 N 0.62 4.31 -0.04 4.30 3.52 -1.26 0.07 118.95 130.46 1uae s ARG 415 Ca -0.15 1.24 0.05 0.00 -0.13 0.00 0.00 55.73 56.74 1uae s ARG 415 Cb -0.16 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.62 1uae s ARG 415 CO 0.04 -0.45 -0.19 0.08 -0.81 0.00 0.00 175.30 173.98 1uae s VAL 416 N 2.56 1.53 0.05 7.11 1.01 0.42 -4.97 120.40 128.11 1uae s VAL 416 Ca 0.43 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1uae s VAL 416 Cb -0.16 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1uae s VAL 416 CO 0.11 0.44 1.14 1.17 0.00 0.00 0.00 175.10 177.95 1uae n LYS 417 N 3.01 -0.14 0.00 2.72 4.81 -1.26 -0.61 118.16 126.69 1uae n LYS 417 Ca -0.17 1.13 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1uae n LYS 417 Cb 0.53 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 33.90 1uae n LYS 417 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98