#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pq9 s GLU 2 N 0.00 3.10 0.16 2.12 2.12 -1.26 -4.90 118.70 120.04 2pq9 s GLU 2 Ca 0.00 1.08 -0.18 0.00 0.36 0.00 0.00 54.97 56.23 2pq9 s GLU 2 Cb 0.00 -2.01 0.04 0.00 0.26 0.00 0.00 34.13 32.42 2pq9 s GLU 2 CO 0.00 -0.97 0.49 -1.54 -0.54 0.00 0.00 175.26 172.69 2pq9 s SER 3 N -3.30 -0.32 -0.03 -1.70 1.04 -1.26 -0.47 113.70 107.65 2pq9 s SER 3 Ca 0.61 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.76 2pq9 s SER 3 Cb -0.15 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.52 2pq9 s SER 3 CO 0.46 -0.94 -0.08 -0.22 0.98 0.00 0.00 173.24 173.44 2pq9 s LEU 4 N -2.81 1.65 -0.19 2.42 0.20 -0.34 -4.92 118.68 114.69 2pq9 s LEU 4 Ca 0.04 -0.17 -0.05 0.00 0.69 0.00 0.00 54.13 54.64 2pq9 s LEU 4 Cb 0.00 -0.53 -0.03 0.00 -0.43 0.00 0.00 46.19 45.21 2pq9 s LEU 4 CO -0.09 0.03 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.10 2pq9 s THR 5 N 0.44 4.03 -0.24 3.68 2.01 -1.26 -0.12 115.64 124.19 2pq9 s THR 5 Ca -0.07 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 2pq9 s THR 5 Cb -0.11 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 2pq9 s THR 5 CO 0.01 0.45 0.13 -0.76 -0.69 0.00 0.00 174.62 173.76 2pq9 s LEU 6 N 0.74 3.94 0.61 4.42 1.43 0.16 -4.97 118.68 125.01 2pq9 s LEU 6 Ca -0.00 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 2pq9 s LEU 6 Cb -0.14 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2pq9 s LEU 6 CO 0.02 0.05 1.03 -1.10 0.23 0.00 0.00 176.35 176.58 2pq9 s GLN 7 N 1.14 3.53 0.31 1.70 -0.21 -1.26 -2.17 119.66 122.70 2pq9 s GLN 7 Ca 0.06 0.86 -0.28 0.00 0.02 0.00 0.00 55.36 56.02 2pq9 s GLN 7 Cb -0.14 -2.07 -0.13 0.00 1.00 0.00 0.00 33.01 31.67 2pq9 s GLN 7 CO 0.05 -0.62 1.24 -2.30 -2.12 0.00 0.00 175.29 171.53 2pq9 n PRO 8 N -2.53 1.93 -3.71 2.91 -0.02 -1.26 -4.90 135.00 127.43 2pq9 n PRO 8 Ca 0.07 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 2pq9 n PRO 8 Cb 0.54 -2.22 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 2pq9 n PRO 8 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pq9 s ILE 9 N -0.94 4.36 0.23 4.25 1.01 0.60 -5.00 121.20 125.71 2pq9 s ILE 9 Ca 0.58 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 2pq9 s ILE 9 Cb -0.61 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2pq9 s ILE 9 CO 0.60 0.13 1.61 0.00 0.00 0.00 0.00 174.94 177.29 2pq9 h ALA 10 N 8.29 0.88 -1.98 9.38 0.00 -1.83 -3.40 119.26 130.61 2pq9 h ALA 10 Ca -0.33 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 2pq9 h ALA 10 Cb 1.15 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.63 2pq9 h ALA 10 CO 0.60 0.63 0.32 0.50 0.00 0.00 0.00 179.25 181.30 2pq9 s ARG 11 N -4.31 0.93 0.05 0.00 3.52 -1.10 -4.98 118.95 113.06 2pq9 s ARG 11 Ca -0.08 0.13 0.09 0.00 -0.13 0.00 0.00 55.73 55.74 2pq9 s ARG 11 Cb 0.13 0.44 -0.03 0.00 -1.56 0.00 0.00 34.95 33.92 2pq9 s ARG 11 CO 0.82 -0.31 -0.25 0.14 -0.81 0.00 0.00 175.30 174.89 2pq9 s VAL 12 N -1.51 2.06 -0.28 7.11 -7.23 -0.70 -0.70 120.40 119.15 2pq9 s VAL 12 Ca -0.06 -1.38 -0.25 0.00 -1.81 0.00 0.00 61.98 58.48 2pq9 s VAL 12 Cb -0.00 -1.77 0.11 0.00 0.56 0.00 0.00 36.38 35.28 2pq9 s VAL 12 CO 0.04 0.32 0.97 -0.62 -0.31 0.00 0.00 175.10 175.51 2pq9 s ASP 13 N -1.28 -0.51 0.00 4.85 -1.08 -0.43 -3.99 116.67 114.23 2pq9 s ASP 13 Ca 0.11 0.97 0.00 0.00 -0.52 0.00 0.00 52.55 53.11 2pq9 s ASP 13 Cb -0.10 1.00 0.00 0.00 -1.46 0.00 0.00 42.92 42.36 2pq9 s ASP 13 CO 0.02 -0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.16 2pq9 n GLY 14 N 2.36 0.47 3.12 2.66 0.00 -0.29 -4.59 105.19 108.93 2pq9 n GLY 14 Ca -0.13 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 2pq9 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pq9 s THR 15 N -2.34 1.35 -0.12 2.61 2.01 -1.26 -1.00 115.64 116.89 2pq9 s THR 15 Ca 0.00 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.35 2pq9 s THR 15 Cb 0.00 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.36 2pq9 s THR 15 CO 0.00 0.39 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.49 2pq9 s ILE 16 N -0.01 1.90 -0.44 1.82 -1.09 0.15 -4.97 121.20 118.57 2pq9 s ILE 16 Ca -0.02 -0.89 -0.22 0.00 -2.23 0.00 0.00 60.65 57.29 2pq9 s ILE 16 Cb -0.10 -1.68 0.02 0.00 -1.58 0.00 0.00 42.46 39.12 2pq9 s ILE 16 CO 0.02 0.52 0.70 0.20 -1.23 0.00 0.00 174.94 175.14 2pq9 s ASN 17 N 0.75 6.36 0.48 3.58 0.01 -1.26 -0.72 114.94 124.15 2pq9 s ASN 17 Ca -0.10 -0.23 -0.24 0.00 -0.71 0.00 0.00 52.86 51.59 2pq9 s ASN 17 Cb -0.16 -2.34 -0.07 0.00 0.41 0.00 0.00 41.25 39.09 2pq9 s ASN 17 CO 0.01 -0.82 1.36 -0.76 -1.51 0.00 0.00 177.10 175.37 2pq9 s LEU 18 N 2.99 4.01 0.82 0.60 1.43 -0.81 -4.94 118.68 122.77 2pq9 s LEU 18 Ca 0.25 2.76 -0.11 0.00 -1.03 0.00 0.00 54.13 56.00 2pq9 s LEU 18 Cb -0.13 -4.10 0.08 0.00 0.03 0.00 0.00 46.19 42.07 2pq9 s LEU 18 CO 0.20 -1.27 1.09 -2.16 0.23 0.00 0.00 176.35 174.44 2pq9 s PRO 19 N -2.63 1.92 0.70 1.29 0.04 -1.26 -4.72 135.00 130.33 2pq9 s PRO 19 Ca 0.65 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 2pq9 s PRO 19 Cb -0.40 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.28 2pq9 s PRO 19 CO 0.50 -1.78 1.18 0.20 0.04 0.00 0.00 177.00 177.13 2pq9 s GLY 20 N -3.64 2.35 0.06 0.56 0.00 -1.25 -0.60 107.32 104.80 2pq9 s GLY 20 Ca 0.61 0.81 -0.31 0.00 0.00 0.00 0.00 44.72 45.84 2pq9 s GLY 20 CO 0.56 1.21 1.60 -0.45 0.00 0.00 0.00 173.10 176.01 2pq9 s SER 21 N -2.11 6.65 0.17 1.64 0.15 0.32 -4.15 113.70 116.38 2pq9 s SER 21 Ca 0.73 2.41 -0.11 0.00 0.70 0.00 0.00 55.95 59.68 2pq9 s SER 21 Cb -0.27 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.54 2pq9 s SER 21 CO 0.43 -0.85 1.65 0.50 1.20 0.00 0.00 173.24 176.16 2pq9 h LYS 22 N 8.22 0.99 -0.41 5.44 3.11 -1.91 0.40 116.57 132.41 2pq9 h LYS 22 Ca -0.42 -0.28 -0.01 0.00 -2.81 0.00 0.00 60.65 57.14 2pq9 h LYS 22 Cb 1.20 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 2pq9 h LYS 22 CO 0.92 0.95 0.24 0.77 -2.81 0.00 0.00 179.45 179.53 2pq9 h SER 23 N 0.89 0.51 -0.25 4.20 0.02 -1.99 -1.90 113.55 115.02 2pq9 h SER 23 Ca 0.17 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 2pq9 h SER 23 Cb 0.46 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 2pq9 h SER 23 CO 0.02 0.43 -0.42 0.58 -1.14 0.00 0.00 176.83 176.30 2pq9 h VAL 24 N 0.54 1.30 -0.20 2.27 2.07 -1.93 -3.12 116.25 117.18 2pq9 h VAL 24 Ca 0.15 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.07 2pq9 h VAL 24 Cb 0.03 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2pq9 h VAL 24 CO -0.03 0.52 0.03 0.28 0.02 0.00 0.00 177.57 178.39 2pq9 h SER 25 N 0.46 -0.00 0.66 0.57 0.02 -0.68 -0.14 113.55 114.44 2pq9 h SER 25 Ca 0.02 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 2pq9 h SER 25 Cb 1.02 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2pq9 h SER 25 CO 0.10 0.03 -0.63 0.78 -1.14 0.00 0.00 176.83 175.96 2pq9 h ASN 26 N 0.11 0.00 -0.29 3.07 2.35 -1.45 -1.56 115.58 117.81 2pq9 h ASN 26 Ca 0.09 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 2pq9 h ASN 26 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2pq9 h ASN 26 CO -0.12 0.63 -0.18 0.03 -1.65 0.00 0.00 177.43 176.13 2pq9 h ARG 27 N 0.00 0.63 -0.57 0.81 3.08 -1.44 -2.69 114.38 114.20 2pq9 h ARG 27 Ca -0.01 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 2pq9 h ARG 27 Cb 1.13 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 2pq9 h ARG 27 CO 0.08 0.88 0.04 0.00 -1.07 0.00 0.00 179.97 179.91 2pq9 h ALA 28 N 0.73 1.00 -0.47 0.04 0.00 -0.88 -1.01 119.26 118.67 2pq9 h ALA 28 Ca 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2pq9 h ALA 28 Cb 0.72 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2pq9 h ALA 28 CO 0.05 0.62 0.09 -0.07 0.00 0.00 0.00 179.25 179.94 2pq9 h LEU 29 N 0.88 0.73 -0.32 0.00 3.38 -1.28 0.77 115.31 119.47 2pq9 h LEU 29 Ca 0.17 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2pq9 h LEU 29 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2pq9 h LEU 29 CO 0.02 0.79 -0.23 0.25 0.09 0.00 0.00 178.44 179.37 2pq9 h LEU 30 N 0.64 0.75 -0.79 1.67 5.85 -1.28 -1.04 115.31 121.11 2pq9 h LEU 30 Ca 0.14 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.35 2pq9 h LEU 30 Cb 0.36 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2pq9 h LEU 30 CO 0.01 1.03 0.07 -0.07 -0.34 0.00 0.00 178.44 179.14 2pq9 h LEU 31 N 0.48 0.94 -0.97 2.25 3.38 -1.14 -1.59 115.31 118.66 2pq9 h LEU 31 Ca 0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2pq9 h LEU 31 Cb 0.78 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2pq9 h LEU 31 CO 0.06 0.96 0.14 0.00 0.09 0.00 0.00 178.44 179.69 2pq9 h ALA 32 N 1.15 1.17 -0.28 1.53 0.00 -0.71 -0.17 119.26 121.94 2pq9 h ALA 32 Ca 0.18 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2pq9 h ALA 32 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2pq9 h ALA 32 CO 0.01 0.57 -0.23 0.00 0.00 0.00 0.00 179.25 179.60 2pq9 h ALA 33 N 1.30 1.07 0.00 0.00 0.00 -0.73 -2.98 119.26 117.92 2pq9 h ALA 33 Ca 0.19 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2pq9 h ALA 33 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2pq9 h ALA 33 CO -0.00 0.57 -0.51 -0.07 0.00 0.00 0.00 179.25 179.24 2pq9 h LEU 34 N 0.48 0.00-10.39 0.00 3.38 -0.96 0.12 115.31 107.94 2pq9 h LEU 34 Ca 0.07 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.56 2pq9 h LEU 34 Cb 0.67 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.55 2pq9 h LEU 34 CO 0.05 0.51 0.29 0.00 0.09 0.00 0.00 178.44 179.38 2pq9 s ALA 35 N -2.97 1.81 -0.17 1.53 0.00 -0.11 -0.78 121.76 121.08 2pq9 s ALA 35 Ca 0.04 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 2pq9 s ALA 35 Cb 0.08 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 2pq9 s ALA 35 CO 0.75 -2.13 0.31 -1.01 0.00 0.00 0.00 175.76 173.68 2pq9 s HIS 36 N -3.07 3.45 0.00 0.00 3.76 -0.43 -1.32 115.29 117.67 2pq9 s HIS 36 Ca 0.63 0.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 2pq9 s HIS 36 Cb -0.16 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.15 2pq9 s HIS 36 CO 0.55 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 175.05 2pq9 n GLY 37 N 3.49 0.95 3.71 -2.22 0.00 -1.26 -1.55 105.19 108.31 2pq9 n GLY 37 Ca -0.11 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.41 2pq9 n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pq9 s LYS 38 N -1.33 4.17 -0.11 1.61 2.20 -1.26 -0.93 119.74 124.08 2pq9 s LYS 38 Ca 0.00 -0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.43 2pq9 s LYS 38 Cb 0.00 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2pq9 s LYS 38 CO 0.00 0.22 -0.06 0.99 -0.36 0.00 0.00 175.35 176.14 2pq9 s THR 39 N 0.59 3.75 -0.30 3.43 2.01 -0.43 -4.36 115.64 120.33 2pq9 s THR 39 Ca 0.09 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 2pq9 s THR 39 Cb -0.12 -2.58 0.04 0.00 0.01 0.00 0.00 72.50 69.85 2pq9 s THR 39 CO 0.01 0.55 0.02 -0.69 -0.69 0.00 0.00 174.62 173.82 2pq9 s VAL 40 N -0.24 3.21 -0.12 3.82 1.01 -0.52 -0.48 120.40 127.07 2pq9 s VAL 40 Ca 0.04 -1.26 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 2pq9 s VAL 40 Cb -0.13 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2pq9 s VAL 40 CO 0.02 -0.09 0.28 -0.76 0.00 0.00 0.00 175.10 174.56 2pq9 s LEU 41 N 1.31 4.32 0.20 3.92 1.43 0.38 -0.69 118.68 129.55 2pq9 s LEU 41 Ca -0.04 0.59 0.10 0.00 -1.03 0.00 0.00 54.13 53.75 2pq9 s LEU 41 Cb -0.19 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2pq9 s LEU 41 CO -0.00 0.21 -0.20 0.42 0.23 0.00 0.00 176.35 177.00 2pq9 s THR 42 N -0.14 2.15 -1.74 5.49 -4.23 -0.37 -1.11 115.64 115.68 2pq9 s THR 42 Ca 0.17 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2pq9 s THR 42 Cb -0.13 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2pq9 s THR 42 CO 0.06 -0.29 0.00 -3.20 -0.54 0.00 0.00 174.62 170.65 2pq9 n ASN 43 N 0.01 -5.19 -4.76 3.99 4.05 -0.75 -1.07 115.26 111.54 2pq9 n ASN 43 Ca -0.11 0.24 -0.39 0.00 0.45 0.00 0.00 54.58 54.77 2pq9 n ASN 43 Cb 0.58 -4.27 0.01 0.00 1.23 0.00 0.00 39.78 37.33 2pq9 n ASN 43 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2pq9 s LEU 44 N -4.57 4.09 0.19 1.20 2.96 -0.14 -3.77 118.68 118.64 2pq9 s LEU 44 Ca 0.00 2.72 -0.30 0.00 -0.22 0.00 0.00 54.13 56.33 2pq9 s LEU 44 Cb 0.00 -4.03 -0.08 0.00 0.50 0.00 0.00 46.19 42.59 2pq9 s LEU 44 CO 0.00 -1.10 0.99 -0.22 -1.32 0.00 0.00 176.35 174.70 2pq9 s LEU 45 N -2.80 4.56 -0.42 -0.68 2.96 -1.26 -4.30 118.68 116.74 2pq9 s LEU 45 Ca 0.62 1.95 -0.09 0.00 -0.22 0.00 0.00 54.13 56.39 2pq9 s LEU 45 Cb -0.39 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 42.78 2pq9 s LEU 45 CO 0.49 -0.01 0.26 -0.62 -1.32 0.00 0.00 176.35 175.15 2pq9 s ASP 46 N -0.58 5.61 0.30 3.68 3.68 -1.26 -4.80 116.67 123.30 2pq9 s ASP 46 Ca 0.45 -1.55 -0.09 0.00 2.13 0.00 0.00 52.55 53.48 2pq9 s ASP 46 Cb -0.26 -1.98 0.01 0.00 -1.45 0.00 0.00 42.92 39.24 2pq9 s ASP 46 CO 0.33 -0.54 0.52 -0.94 0.13 0.00 0.00 175.17 174.66 2pq9 s SER 47 N 2.12 0.29 0.21 -0.34 1.04 -1.26 -4.61 113.70 111.15 2pq9 s SER 47 Ca 0.03 -1.17 -0.10 0.00 0.48 0.00 0.00 55.95 55.20 2pq9 s SER 47 Cb -0.23 0.65 0.22 0.00 0.10 0.00 0.00 66.02 66.75 2pq9 s SER 47 CO 0.01 -1.27 1.82 0.44 0.98 0.00 0.00 173.24 175.23 2pq9 h ASP 48 N 2.17 0.62 -0.63 7.02 3.45 -0.94 -0.66 116.42 127.46 2pq9 h ASP 48 Ca -0.28 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.17 2pq9 h ASP 48 Cb 1.25 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.88 2pq9 h ASP 48 CO 0.37 0.41 0.30 0.44 -1.57 0.00 0.00 179.24 179.19 2pq9 h ASP 49 N 0.75 0.85 -0.03 6.45 5.19 -1.72 -0.85 116.42 127.06 2pq9 h ASP 49 Ca 0.29 -0.10 -0.22 0.00 -0.62 0.00 0.00 57.03 56.38 2pq9 h ASP 49 Cb 0.12 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 39.42 2pq9 h ASP 49 CO -0.15 0.73 -0.82 0.58 -3.12 0.00 0.00 179.24 176.46 2pq9 h VAL 50 N 0.93 1.30 -0.79 -1.35 2.07 -1.74 -2.79 116.25 113.87 2pq9 h VAL 50 Ca 0.23 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.66 2pq9 h VAL 50 Cb 0.12 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2pq9 h VAL 50 CO -0.03 0.65 0.44 -0.09 0.02 0.00 0.00 177.57 178.56 2pq9 h ARG 51 N 0.46 1.09 -0.40 1.57 2.43 -0.63 0.21 114.38 119.10 2pq9 h ARG 51 Ca -0.06 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 2pq9 h ARG 51 Cb 1.45 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2pq9 h ARG 51 CO 0.16 0.79 -0.23 0.45 -1.51 0.00 0.00 179.97 179.63 2pq9 h HIS 52 N 1.10 0.93 -0.37 2.20 3.86 -1.16 -0.04 115.15 121.67 2pq9 h HIS 52 Ca 0.28 -0.22 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2pq9 h HIS 52 Cb 0.01 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 2pq9 h HIS 52 CO 0.01 0.96 0.09 1.98 0.86 0.00 0.00 177.93 181.83 2pq9 h MET 53 N 0.71 0.59 -0.81 2.45 1.85 -1.12 -1.75 114.93 116.84 2pq9 h MET 53 Ca 0.10 -0.14 -0.03 0.00 -0.61 0.00 0.00 59.70 59.02 2pq9 h MET 53 Cb 0.75 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.67 2pq9 h MET 53 CO 0.06 0.62 0.39 -0.07 -0.40 0.00 0.00 176.91 177.51 2pq9 h LEU 54 N 0.45 1.06 -0.93 3.39 3.38 -0.71 -0.89 115.31 121.05 2pq9 h LEU 54 Ca 0.12 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2pq9 h LEU 54 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2pq9 h LEU 54 CO 0.00 0.90 0.10 0.78 0.09 0.00 0.00 178.44 180.31 2pq9 h ASN 55 N 1.16 0.83 -0.39 -0.43 -0.26 -0.84 -0.84 115.58 114.82 2pq9 h ASN 55 Ca 0.28 -0.17 -0.10 0.00 -0.56 0.00 0.00 56.30 55.75 2pq9 h ASN 55 Cb 0.12 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 2pq9 h ASN 55 CO -0.04 0.84 -0.15 0.00 -1.06 0.00 0.00 177.43 177.02 2pq9 h ALA 56 N 1.27 0.54 -0.75 -0.83 0.00 -0.72 -1.27 119.26 117.50 2pq9 h ALA 56 Ca 0.18 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2pq9 h ALA 56 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2pq9 h ALA 56 CO 0.01 0.46 0.25 -0.07 0.00 0.00 0.00 179.25 179.89 2pq9 h LEU 57 N 0.59 1.08 -0.56 0.00 3.38 -0.94 -0.81 115.31 118.05 2pq9 h LEU 57 Ca 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2pq9 h LEU 57 Cb 0.69 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2pq9 h LEU 57 CO 0.05 0.99 0.35 0.74 0.09 0.00 0.00 178.44 180.66 2pq9 h THR 58 N 1.12 1.16 -0.09 0.22 2.02 -0.94 -0.91 112.91 115.48 2pq9 h THR 58 Ca 0.25 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 2pq9 h THR 58 Cb 0.28 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2pq9 h THR 58 CO -0.01 0.16 -0.20 0.00 0.37 0.00 0.00 175.52 175.84 2pq9 h ALA 59 N 1.18 1.49 -0.00 6.16 0.00 -0.69 -2.12 119.26 125.28 2pq9 h ALA 59 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pq9 h ALA 59 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2pq9 h ALA 59 CO -0.04 0.36 -0.01 1.28 0.00 0.00 0.00 179.25 180.85 2pq9 n LEU 60 N -4.24 0.02 0.00 0.00 4.77 -0.36 -4.91 117.00 112.28 2pq9 n LEU 60 Ca -0.01 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2pq9 n LEU 60 Cb 0.30 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2pq9 n LEU 60 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2pq9 n GLY 61 N 1.32 0.86 3.74 -0.72 0.00 -0.80 -4.55 105.19 105.04 2pq9 n GLY 61 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2pq9 n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pq9 s VAL 62 N -2.00 4.43 -0.12 1.61 1.01 -0.39 -5.01 120.40 119.93 2pq9 s VAL 62 Ca 0.00 1.98 -0.08 0.00 0.00 0.00 0.00 61.98 63.88 2pq9 s VAL 62 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2pq9 s VAL 62 CO 0.00 0.38 0.15 -0.44 0.00 0.00 0.00 175.10 175.19 2pq9 s SER 63 N -0.37 6.40 0.13 3.32 0.01 -1.26 -4.27 113.70 117.67 2pq9 s SER 63 Ca 0.43 0.48 -0.24 0.00 1.31 0.00 0.00 55.95 57.93 2pq9 s SER 63 Cb -0.23 -2.08 0.07 0.00 0.21 0.00 0.00 66.02 63.99 2pq9 s SER 63 CO 0.29 0.39 0.74 -0.72 0.41 0.00 0.00 173.24 174.35 2pq9 s TYR 64 N -0.94 -0.38 0.08 2.43 -0.85 -1.26 -1.24 117.35 115.18 2pq9 s TYR 64 Ca 0.15 0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.89 2pq9 s TYR 64 Cb -0.12 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 2pq9 s TYR 64 CO 0.04 -0.83 -0.12 0.95 -1.52 0.00 0.00 175.55 174.07 2pq9 s THR 65 N -3.56 1.03 0.08 -3.49 -4.23 -0.64 -4.98 115.64 99.85 2pq9 s THR 65 Ca 0.05 -1.43 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 2pq9 s THR 65 Cb -0.02 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 2pq9 s THR 65 CO -0.07 -0.37 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.67 2pq9 s LEU 66 N -2.03 2.24 0.92 4.79 1.43 -1.26 -1.32 118.68 123.45 2pq9 s LEU 66 Ca 0.01 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 2pq9 s LEU 66 Cb -0.07 -0.97 0.15 0.00 0.03 0.00 0.00 46.19 45.32 2pq9 s LEU 66 CO 0.02 0.12 1.16 -0.94 0.23 0.00 0.00 176.35 176.94 2pq9 s SER 67 N -1.57 3.41 0.30 2.29 1.04 -0.43 -4.88 113.70 113.87 2pq9 s SER 67 Ca 0.08 0.84 0.04 0.00 0.48 0.00 0.00 55.95 57.38 2pq9 s SER 67 Cb -0.09 -1.32 0.64 0.00 0.10 0.00 0.00 66.02 65.34 2pq9 s SER 67 CO 0.03 -2.60 1.85 0.00 0.98 0.00 0.00 173.24 173.50 2pq9 h ALA 68 N -1.53 1.62 -0.22 5.32 0.00 -2.01 -0.62 119.26 121.81 2pq9 h ALA 68 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2pq9 h ALA 68 Cb 1.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2pq9 h ALA 68 CO 0.58 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 2pq9 n ASP 69 N -4.60 2.15 -1.39 0.00 3.85 -1.26 -4.94 116.55 110.36 2pq9 n ASP 69 Ca 0.19 -1.79 -0.18 0.00 -0.71 0.00 0.00 54.79 52.29 2pq9 n ASP 69 Cb 0.39 -0.14 -0.08 0.00 -1.35 0.00 0.00 41.12 39.95 2pq9 n ASP 69 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2pq9 n ARG 70 N 0.64 -1.26 0.00 0.11 1.74 -0.24 -4.84 116.66 112.81 2pq9 n ARG 70 Ca 0.17 1.13 0.11 0.00 -0.77 0.00 0.00 57.85 58.49 2pq9 n ARG 70 Cb 0.41 -5.40 -0.03 0.00 -1.02 0.00 0.00 32.46 26.41 2pq9 n ARG 70 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2pq9 n THR 71 N -2.49 0.00 -4.91 0.55 -2.24 -1.26 -4.49 114.28 99.44 2pq9 n THR 71 Ca -0.18 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 2pq9 n THR 71 Cb 0.59 1.20 -0.17 0.00 -2.10 0.00 0.00 70.33 69.85 2pq9 n THR 71 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2pq9 s ARG 72 N -2.60 2.94 -0.06 -0.78 3.52 -1.26 -0.96 118.95 119.75 2pq9 s ARG 72 Ca 0.16 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2pq9 s ARG 72 Cb 0.18 -2.31 0.02 0.00 -1.56 0.00 0.00 34.95 31.28 2pq9 s ARG 72 CO 0.64 0.07 -0.07 0.00 -0.81 0.00 0.00 175.30 175.14 2pq9 s GLU 74 N 0.97 2.66 -0.18 0.00 2.12 -0.43 -0.47 118.70 123.36 2pq9 s GLU 74 Ca -0.10 -1.42 -0.08 0.00 0.36 0.00 0.00 54.97 53.73 2pq9 s GLU 74 Cb -0.15 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 2pq9 s GLU 74 CO 0.00 -0.94 0.10 0.42 -0.54 0.00 0.00 175.26 174.30 2pq9 s ILE 75 N 1.46 5.11 -0.47 -3.70 1.09 0.37 -1.63 121.20 123.43 2pq9 s ILE 75 Ca 0.03 0.08 -0.20 0.00 -1.10 0.00 0.00 60.65 59.46 2pq9 s ILE 75 Cb -0.23 -3.31 0.04 0.00 -1.06 0.00 0.00 42.46 37.90 2pq9 s ILE 75 CO 0.03 0.47 0.63 -0.63 -0.10 0.00 0.00 174.94 175.34 2pq9 s ILE 76 N 0.23 4.84 0.51 2.92 -1.09 -0.38 -1.32 121.20 126.92 2pq9 s ILE 76 Ca 0.06 -0.13 -0.23 0.00 -2.23 0.00 0.00 60.65 58.12 2pq9 s ILE 76 Cb -0.12 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.46 2pq9 s ILE 76 CO -0.01 -0.68 1.37 0.61 -1.23 0.00 0.00 174.94 175.00 2pq9 n GLY 77 N 5.10 0.81 0.17 6.18 0.00 -0.11 -4.37 105.19 112.96 2pq9 n GLY 77 Ca -0.04 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2pq9 n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2pq9 h ASN 78 N 1.71 0.00 -3.43 1.61 -1.24 -0.50 -3.42 115.58 110.32 2pq9 h ASN 78 Ca -0.51 -0.01 -0.18 0.00 0.71 0.00 0.00 56.30 56.32 2pq9 h ASN 78 Cb 1.29 0.00 0.07 0.00 0.73 0.00 0.00 38.32 40.42 2pq9 h ASN 78 CO 0.58 0.00 -0.33 0.61 -1.29 0.00 0.00 177.43 177.00 2pq9 n GLY 79 N 1.18 0.19 0.00 1.57 0.00 -0.43 -4.93 105.19 102.77 2pq9 n GLY 79 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2pq9 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pq9 n GLY 80 N -1.17 1.01 3.51 -0.02 0.00 0.04 -4.93 105.19 103.63 2pq9 n GLY 80 Ca -0.04 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 2pq9 n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2pq9 n PRO 81 N -1.83 0.85 -3.02 1.61 -0.02 -1.26 -4.63 135.00 126.69 2pq9 n PRO 81 Ca 0.00 0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 2pq9 n PRO 81 Cb 0.00 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 2pq9 n PRO 81 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pq9 s LEU 82 N 1.16 4.02 0.02 2.45 1.43 -1.26 -5.08 118.68 121.42 2pq9 s LEU 82 Ca 0.62 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 55.15 2pq9 s LEU 82 Cb -0.66 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 41.29 2pq9 s LEU 82 CO 0.58 -0.26 -0.03 -1.00 0.23 0.00 0.00 176.35 175.87 2pq9 s HIS 83 N -2.06 0.29 -0.07 0.29 3.76 -1.26 -4.91 115.29 111.34 2pq9 s HIS 83 Ca 0.57 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.81 2pq9 s HIS 83 Cb -0.10 -0.19 0.09 0.00 1.11 0.00 0.00 32.58 33.49 2pq9 s HIS 83 CO 0.16 -0.11 0.76 0.00 -0.85 0.00 0.00 174.74 174.70 2pq9 s ALA 84 N -1.00 -1.81 0.08 -1.40 0.00 -1.26 -4.83 121.76 111.53 2pq9 s ALA 84 Ca -0.10 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.21 2pq9 s ALA 84 Cb -0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 2pq9 s ALA 84 CO -0.00 -0.38 0.02 0.39 0.00 0.00 0.00 175.76 175.78 2pq9 n GLU 85 N 0.77 1.12 -2.18 0.00 1.02 -1.26 -1.87 120.64 118.25 2pq9 n GLU 85 Ca -0.16 -0.63 -0.14 0.00 -0.02 0.00 0.00 57.16 56.21 2pq9 n GLU 85 Cb 0.58 0.29 -0.01 0.00 -0.02 0.00 0.00 31.44 32.28 2pq9 n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pq9 n GLY 86 N 2.37 -0.04 3.99 0.62 0.00 -1.24 -3.03 105.19 107.87 2pq9 n GLY 86 Ca -0.02 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2pq9 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pq9 n ALA 87 N -1.37 -1.30 -1.66 4.61 0.00 -0.12 -4.86 120.51 115.82 2pq9 n ALA 87 Ca -0.17 0.14 -0.49 0.00 0.00 0.00 0.00 53.44 52.92 2pq9 n ALA 87 Cb 0.61 -4.19 -0.05 0.00 0.00 0.00 0.00 19.45 15.82 2pq9 n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pq9 n LEU 88 N -4.61 2.75 -4.70 0.00 7.94 -1.09 -4.25 117.00 113.04 2pq9 n LEU 88 Ca 0.04 1.06 -0.38 0.00 -1.11 0.00 0.00 56.01 55.62 2pq9 n LEU 88 Cb 0.52 -1.32 -0.06 0.00 0.53 0.00 0.00 43.42 43.09 2pq9 n LEU 88 CO 0.78 -0.43 0.21 -0.70 -1.11 0.00 0.00 177.39 176.14 2pq9 s GLU 89 N 1.90 4.28 -0.23 1.96 2.12 -1.26 -0.76 118.70 126.71 2pq9 s GLU 89 Ca 0.86 0.45 -0.05 0.00 0.36 0.00 0.00 54.97 56.58 2pq9 s GLU 89 Cb -0.79 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.09 2pq9 s GLU 89 CO 0.47 0.03 0.01 -0.51 -0.54 0.00 0.00 175.26 174.72 2pq9 s LEU 90 N 1.04 3.17 -0.32 2.70 1.43 0.16 -4.97 118.68 121.89 2pq9 s LEU 90 Ca 0.26 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 2pq9 s LEU 90 Cb -0.15 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2pq9 s LEU 90 CO 0.10 -0.01 0.43 0.12 0.23 0.00 0.00 176.35 177.22 2pq9 s PHE 91 N 1.46 3.21 -0.57 0.29 5.36 -1.26 -1.83 117.98 124.64 2pq9 s PHE 91 Ca 0.05 0.20 0.16 0.00 -0.96 0.00 0.00 56.93 56.38 2pq9 s PHE 91 Cb -0.15 -2.74 0.58 0.00 -0.34 0.00 0.00 43.02 40.38 2pq9 s PHE 91 CO 0.00 -0.41 1.49 1.28 -1.46 0.00 0.00 175.22 176.13 2pq9 n LEU 92 N 5.51 4.21 0.00 6.12 4.77 0.12 -4.85 117.00 132.88 2pq9 n LEU 92 Ca -0.07 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 2pq9 n LEU 92 Cb 0.50 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2pq9 n LEU 92 CO 0.41 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 2pq9 n GLY 93 N 0.27 3.59 0.69 -0.72 0.00 -1.26 -1.84 105.19 105.91 2pq9 n GLY 93 Ca 0.22 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.40 2pq9 n GLY 93 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pq9 n ASN 94 N 5.73 3.40 -4.52 1.61 3.02 -1.26 -1.29 115.26 121.94 2pq9 n ASN 94 Ca 0.00 -2.78 -0.43 0.00 -0.03 0.00 0.00 54.58 51.34 2pq9 n ASN 94 Cb 0.00 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 2pq9 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pq9 s ALA 95 N -2.39 3.08 0.33 5.41 0.00 -0.77 -4.88 121.76 122.54 2pq9 s ALA 95 Ca 0.35 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 51.04 2pq9 s ALA 95 Cb 0.27 -3.86 0.56 0.00 0.00 0.00 0.00 23.12 20.10 2pq9 s ALA 95 CO 0.09 -2.60 1.84 0.78 0.00 0.00 0.00 175.76 175.87 2pq9 h GLY 96 N 11.42 0.55 1.42 0.00 0.00 -1.95 -0.27 103.07 114.24 2pq9 h GLY 96 Ca -0.27 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2pq9 h GLY 96 CO 1.14 0.32 0.00 -1.30 0.00 0.00 0.00 176.54 176.71 2pq9 n THR 97 N -4.25 0.24 -0.10 4.70 -2.24 -1.26 -1.28 114.28 110.10 2pq9 n THR 97 Ca 0.01 0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 2pq9 n THR 97 Cb 0.28 -0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 67.73 2pq9 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pq9 n ALA 98 N -1.21 1.70 0.05 6.98 0.00 -0.82 -4.43 120.51 122.79 2pq9 n ALA 98 Ca 0.12 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 2pq9 n ALA 98 Cb 0.15 0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 2pq9 n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2pq9 h MET 99 N -0.65 -0.15 0.08 0.00 -1.53 -0.96 -0.43 114.93 111.30 2pq9 h MET 99 Ca -0.50 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 55.77 2pq9 h MET 99 Cb 1.47 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 32.55 2pq9 h MET 99 CO -0.28 -0.10 -0.04 0.00 0.14 0.00 0.00 176.91 176.63 2pq9 h ARG 100 N -0.15 -0.11 -0.76 0.39 -0.00 -1.44 -1.84 114.38 110.47 2pq9 h ARG 100 Ca 0.03 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.53 2pq9 h ARG 100 Cb 0.19 0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.15 2pq9 h ARG 100 CO -0.09 0.37 0.50 -1.35 0.00 0.00 0.00 179.97 179.40 2pq9 h PRO 101 N -0.65 0.98 -0.08 0.04 0.11 -1.73 -2.37 132.00 128.30 2pq9 h PRO 101 Ca -0.01 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 2pq9 h PRO 101 Cb 0.53 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2pq9 h PRO 101 CO 0.02 0.65 -0.42 -0.07 -0.21 0.00 0.00 178.00 177.97 2pq9 h LEU 102 N 1.01 0.19 -1.34 2.35 3.38 -1.15 -0.35 115.31 119.41 2pq9 h LEU 102 Ca 0.29 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.19 2pq9 h LEU 102 Cb -0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2pq9 h LEU 102 CO -0.07 0.60 0.45 0.00 0.09 0.00 0.00 178.44 179.50 2pq9 h ALA 103 N 1.41 1.53 0.00 1.53 0.00 -0.80 -1.22 119.26 121.71 2pq9 h ALA 103 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2pq9 h ALA 103 Cb 0.81 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2pq9 h ALA 103 CO 0.06 0.43 -0.23 0.00 0.00 0.00 0.00 179.25 179.52 2pq9 h ALA 104 N 1.58 0.04 -0.82 0.00 0.00 -1.24 -3.37 119.26 115.45 2pq9 h ALA 104 Ca 0.25 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2pq9 h ALA 104 Cb -0.08 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2pq9 h ALA 104 CO -0.06 0.13 0.54 0.00 0.00 0.00 0.00 179.25 179.86 2pq9 h ALA 105 N -0.24 1.56 0.00 0.00 0.00 -0.94 -1.17 119.26 118.48 2pq9 h ALA 105 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pq9 h ALA 105 Cb 0.91 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2pq9 h ALA 105 CO -0.04 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.83 2pq9 n LEU 106 N -4.47 0.00 -0.16 0.00 4.77 -0.47 -2.41 117.00 114.26 2pq9 n LEU 106 Ca 0.12 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.24 2pq9 n LEU 106 Cb 0.17 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 41.82 2pq9 n LEU 106 CO 0.34 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 177.22 2pq9 s LEU 108 N -2.45 4.28 0.00 0.00 1.43 -1.01 -1.42 118.68 119.52 2pq9 s LEU 108 Ca 0.29 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 2pq9 s LEU 108 Cb 0.20 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.86 2pq9 s LEU 108 CO 0.48 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 177.19 2pq9 n GLY 109 N 3.18 0.41 3.17 -3.19 0.00 -1.26 -4.72 105.19 102.78 2pq9 n GLY 109 Ca 0.09 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 2pq9 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pq9 s SER 110 N -4.00 2.69 0.26 1.61 0.01 -1.26 -0.61 113.70 112.41 2pq9 s SER 110 Ca 0.00 -0.47 -0.13 0.00 1.31 0.00 0.00 55.95 56.66 2pq9 s SER 110 Cb 0.00 -1.13 -0.00 0.00 0.21 0.00 0.00 66.02 65.10 2pq9 s SER 110 CO 0.00 0.14 0.50 0.20 0.41 0.00 0.00 173.24 174.50 2pq9 s ASN 111 N 0.32 -0.02 -0.38 2.44 0.01 -1.25 -4.79 114.94 111.28 2pq9 s ASN 111 Ca -0.15 -0.96 0.04 0.00 -0.71 0.00 0.00 52.86 51.08 2pq9 s ASN 111 Cb -0.16 0.61 0.16 0.00 0.41 0.00 0.00 41.25 42.27 2pq9 s ASN 111 CO 0.06 -1.19 0.45 -0.62 -1.51 0.00 0.00 177.10 174.29 2pq9 s ASP 112 N -3.03 0.40 0.02 -1.22 3.68 -0.78 -3.95 116.67 111.78 2pq9 s ASP 112 Ca 0.22 -1.36 0.02 0.00 2.13 0.00 0.00 52.55 53.56 2pq9 s ASP 112 Cb -0.01 0.96 -0.01 0.00 -1.45 0.00 0.00 42.92 42.40 2pq9 s ASP 112 CO 0.10 -0.23 -0.07 -0.63 0.13 0.00 0.00 175.17 174.47 2pq9 s ILE 113 N 1.54 0.52 -0.11 4.11 1.01 -0.87 -0.94 121.20 126.47 2pq9 s ILE 113 Ca 0.17 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2pq9 s ILE 113 Cb -0.12 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 2pq9 s ILE 113 CO -0.04 -0.12 -0.13 -0.69 0.00 0.00 0.00 174.94 173.96 2pq9 s VAL 114 N -0.76 3.08 -0.17 2.92 1.01 0.06 -0.00 120.40 126.54 2pq9 s VAL 114 Ca -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2pq9 s VAL 114 Cb -0.06 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2pq9 s VAL 114 CO 0.00 0.54 -0.05 -0.76 0.00 0.00 0.00 175.10 174.84 2pq9 s LEU 115 N 0.03 3.12 0.00 3.92 1.43 -0.05 -0.66 118.68 126.46 2pq9 s LEU 115 Ca -0.04 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2pq9 s LEU 115 Cb -0.14 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 2pq9 s LEU 115 CO 0.04 0.12 0.10 1.07 0.23 0.00 0.00 176.35 177.92 2pq9 n THR 116 N 3.82 0.00 -2.92 5.49 5.66 -0.76 -1.58 114.28 123.99 2pq9 n THR 116 Ca -0.18 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 2pq9 n THR 116 Cb 0.52 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.62 2pq9 n THR 116 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pq9 n GLY 117 N -0.17 1.20 3.67 1.09 0.00 -1.26 -0.71 105.19 109.02 2pq9 n GLY 117 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 2pq9 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pq9 s GLU 118 N 0.47 0.96 0.29 1.61 0.41 -0.41 -4.82 118.70 117.19 2pq9 s GLU 118 Ca 0.00 1.31 0.03 0.00 -0.41 0.00 0.00 54.97 55.91 2pq9 s GLU 118 Cb 0.00 -1.74 0.71 0.00 -1.78 0.00 0.00 34.13 31.32 2pq9 s GLU 118 CO 0.00 -2.60 1.71 -1.35 -0.49 0.00 0.00 175.26 172.53 2pq9 h PRO 119 N -1.83 0.42 -0.32 0.39 0.11 -2.01 0.04 132.00 128.80 2pq9 h PRO 119 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2pq9 h PRO 119 Cb 1.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2pq9 h PRO 119 CO 0.46 0.28 0.03 -0.09 -0.21 0.00 0.00 178.00 178.46 2pq9 h ARG 120 N 0.43 0.49 0.00 1.05 9.65 -1.93 -1.95 114.38 122.12 2pq9 h ARG 120 Ca 0.55 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 59.31 2pq9 h ARG 120 Cb 1.01 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.51 2pq9 h ARG 120 CO -0.50 0.49 -0.14 1.98 2.80 0.00 0.00 179.97 184.60 2pq9 h MET 121 N 0.47 0.00 0.00 0.20 4.05 -1.24 0.26 114.93 118.67 2pq9 h MET 121 Ca 0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 2pq9 h MET 121 Cb 0.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2pq9 h MET 121 CO 0.00 0.14 0.00 1.63 0.23 0.00 0.00 176.91 178.92 2pq9 n LYS 122 N -4.27 0.18 -0.08 0.39 5.02 -0.74 -2.08 118.16 116.59 2pq9 n LYS 122 Ca -0.03 0.13 0.07 0.00 -2.02 0.00 0.00 58.31 56.46 2pq9 n LYS 122 Cb 0.21 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.83 2pq9 n LYS 122 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2pq9 n GLU 123 N -1.36 1.59 -3.69 1.97 1.02 0.06 -4.48 120.64 115.75 2pq9 n GLU 123 Ca 0.07 -1.61 -0.36 0.00 -0.02 0.00 0.00 57.16 55.25 2pq9 n GLU 123 Cb 0.17 -1.28 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 2pq9 n GLU 123 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2pq9 s ARG 124 N -1.06 4.17 0.51 3.49 0.52 -0.88 -4.99 118.95 120.70 2pq9 s ARG 124 Ca 0.20 -0.18 -0.23 0.00 -0.52 0.00 0.00 55.73 54.99 2pq9 s ARG 124 Cb 0.12 -3.45 -0.06 0.00 0.52 0.00 0.00 34.95 32.08 2pq9 s ARG 124 CO 0.17 0.24 1.36 -1.25 0.02 0.00 0.00 175.30 175.84 2pq9 s PRO 125 N 0.53 3.37 0.00 3.54 0.04 -1.26 -4.41 135.00 136.81 2pq9 s PRO 125 Ca 0.09 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2pq9 s PRO 125 Cb -0.12 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2pq9 s PRO 125 CO 0.00 -1.01 0.08 1.51 0.04 0.00 0.00 177.00 177.62 2pq9 n ILE 126 N -0.70 0.00 -0.30 0.56 3.06 -0.17 -4.93 119.36 116.87 2pq9 n ILE 126 Ca 0.08 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.37 2pq9 n ILE 126 Cb 0.44 1.30 0.18 0.00 0.54 0.00 0.00 39.64 42.10 2pq9 n ILE 126 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2pq9 h GLY 127 N 0.00 1.35 1.50 4.50 0.00 -1.72 -1.84 103.07 106.84 2pq9 h GLY 127 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2pq9 h GLY 127 CO 0.00 0.13 0.30 0.45 0.00 0.00 0.00 176.54 177.43 2pq9 h HIS 128 N 0.83 0.65 -0.08 5.60 3.86 -1.92 0.79 115.15 124.87 2pq9 h HIS 128 Ca 0.42 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.54 2pq9 h HIS 128 Cb 0.39 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2pq9 h HIS 128 CO -0.05 0.43 -0.32 1.25 0.86 0.00 0.00 177.93 180.10 2pq9 h LEU 129 N 0.69 0.42 -0.69 2.43 5.85 -1.72 -2.80 115.31 119.49 2pq9 h LEU 129 Ca 0.18 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 58.28 2pq9 h LEU 129 Cb -0.03 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2pq9 h LEU 129 CO -0.03 0.99 0.45 0.58 -0.34 0.00 0.00 178.44 180.08 2pq9 h VAL 130 N -0.11 1.14 -0.43 1.05 2.07 -1.05 0.20 116.25 119.12 2pq9 h VAL 130 Ca -0.02 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.24 2pq9 h VAL 130 Cb 0.97 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2pq9 h VAL 130 CO 0.07 0.16 0.18 0.44 0.02 0.00 0.00 177.57 178.45 2pq9 h ASP 131 N 0.90 0.24 -0.30 0.57 3.45 -0.88 -1.03 116.42 119.37 2pq9 h ASP 131 Ca 0.26 0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.73 2pq9 h ASP 131 Cb -0.05 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 2pq9 h ASP 131 CO -0.08 0.17 0.08 0.00 -1.57 0.00 0.00 179.24 177.85 2pq9 h ALA 132 N 1.25 0.39 -0.87 3.45 0.00 -1.13 -2.31 119.26 120.04 2pq9 h ALA 132 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pq9 h ALA 132 Cb 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2pq9 h ALA 132 CO -0.16 0.03 0.54 -0.07 0.00 0.00 0.00 179.25 179.59 2pq9 h LEU 133 N 0.32 1.03 -0.72 0.00 3.38 -0.75 -2.30 115.31 116.26 2pq9 h LEU 133 Ca 0.09 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2pq9 h LEU 133 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2pq9 h LEU 133 CO -0.00 0.78 0.08 0.03 0.09 0.00 0.00 178.44 179.42 2pq9 h ARG 134 N 1.19 1.06 -0.18 1.13 3.08 -1.07 -1.34 114.38 118.26 2pq9 h ARG 134 Ca 0.31 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2pq9 h ARG 134 Cb -0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2pq9 h ARG 134 CO -0.06 0.99 0.12 -0.07 -1.07 0.00 0.00 179.97 179.88 2pq9 h LEU 135 N 0.99 0.18 -0.39 3.04 3.38 -0.87 -0.37 115.31 121.27 2pq9 h LEU 135 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2pq9 h LEU 135 Cb 0.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2pq9 h LEU 135 CO 0.02 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.28 2pq9 n GLY 136 N -1.52 -0.59 0.00 0.83 0.00 -0.85 -4.83 105.19 98.23 2pq9 n GLY 136 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2pq9 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pq9 n GLY 137 N 1.07 0.93 3.77 -0.02 0.00 -0.15 -1.26 105.19 109.53 2pq9 n GLY 137 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2pq9 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pq9 s ALA 138 N -2.00 2.84 -0.32 4.61 0.00 -0.56 -4.17 121.76 122.16 2pq9 s ALA 138 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 2pq9 s ALA 138 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2pq9 s ALA 138 CO 0.00 -0.74 0.16 0.21 0.00 0.00 0.00 175.76 175.38 2pq9 s LYS 139 N -2.97 3.21 -0.02 0.00 2.47 -0.03 -4.35 119.74 118.05 2pq9 s LYS 139 Ca 0.68 -0.81 0.01 0.00 -1.56 0.00 0.00 55.97 54.30 2pq9 s LYS 139 Cb -0.27 -3.58 0.01 0.00 -1.46 0.00 0.00 37.83 32.53 2pq9 s LYS 139 CO 0.32 -0.48 -0.05 0.42 0.16 0.00 0.00 175.35 175.72 2pq9 s ILE 140 N 1.59 0.49 -0.07 5.43 1.01 -1.26 -1.53 121.20 126.86 2pq9 s ILE 140 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.56 2pq9 s ILE 140 Cb -0.17 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 2pq9 s ILE 140 CO 0.06 0.18 -0.23 -0.89 0.00 0.00 0.00 174.94 174.06 2pq9 s THR 141 N 0.40 1.94 -0.23 2.92 2.01 -0.51 -4.98 115.64 117.19 2pq9 s THR 141 Ca -0.05 -0.99 -0.24 0.00 0.31 0.00 0.00 61.69 60.73 2pq9 s THR 141 Cb -0.09 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 2pq9 s THR 141 CO -0.00 0.54 0.80 -0.31 -0.69 0.00 0.00 174.62 174.95 2pq9 s TYR 142 N 0.06 3.33 -0.30 4.92 2.02 -1.26 -1.04 117.35 125.07 2pq9 s TYR 142 Ca -0.09 1.11 0.22 0.00 -0.37 0.00 0.00 57.07 57.93 2pq9 s TYR 142 Cb -0.15 -3.01 0.13 0.00 -0.40 0.00 0.00 41.96 38.53 2pq9 s TYR 142 CO 0.05 -0.36 1.29 -0.07 -1.57 0.00 0.00 175.55 174.89 2pq9 h LEU 143 N 8.97 0.00 0.00 -1.29 3.38 -1.74 -3.47 115.31 121.16 2pq9 h LEU 143 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2pq9 h LEU 143 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2pq9 h LEU 143 CO 0.85 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.85 2pq9 n GLU 144 N -2.91 0.00 -2.36 1.13 1.02 -1.26 -5.01 120.64 111.25 2pq9 n GLU 144 Ca 0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.74 2pq9 n GLU 144 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.97 2pq9 n GLU 144 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2pq9 s GLN 145 N 2.66 4.47 0.34 3.49 0.74 -1.26 -4.97 119.66 125.13 2pq9 s GLN 145 Ca 0.00 1.88 -0.29 0.00 0.05 0.00 0.00 55.36 57.01 2pq9 s GLN 145 Cb 0.00 -3.25 -0.11 0.00 1.10 0.00 0.00 33.01 30.75 2pq9 s GLN 145 CO 0.00 -0.13 1.49 -1.91 -0.55 0.00 0.00 175.29 174.19 2pq9 n GLU 146 N 2.73 2.58 -0.97 1.67 4.07 -1.26 -2.43 120.64 127.03 2pq9 n GLU 146 Ca 0.05 0.91 0.00 0.00 -0.06 0.00 0.00 57.16 58.06 2pq9 n GLU 146 Cb 0.45 -2.63 0.00 0.00 -0.06 0.00 0.00 31.44 29.19 2pq9 n GLU 146 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2pq9 n ASN 147 N 1.06 -2.06 -4.13 4.31 3.02 -1.26 -5.01 115.26 111.19 2pq9 n ASN 147 Ca 0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.50 2pq9 n ASN 147 Cb 0.38 -0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 39.10 2pq9 n ASN 147 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2pq9 s TYR 148 N -2.57 0.71 0.85 3.10 1.51 -1.02 -1.00 117.35 118.93 2pq9 s TYR 148 Ca 0.00 -0.98 -0.11 0.00 -1.01 0.00 0.00 57.07 54.97 2pq9 s TYR 148 Cb 0.00 -0.45 0.11 0.00 -0.11 0.00 0.00 41.96 41.50 2pq9 s TYR 148 CO 0.00 -0.26 1.10 -2.14 -1.11 0.00 0.00 175.55 173.14 2pq9 s PRO 149 N -3.84 1.58 0.53 -1.71 0.02 -1.26 -4.65 135.00 125.66 2pq9 s PRO 149 Ca 0.09 1.12 -0.16 0.00 0.02 0.00 0.00 61.00 62.07 2pq9 s PRO 149 Cb 0.06 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.69 2pq9 s PRO 149 CO -0.07 -2.10 1.00 -1.25 -0.33 0.00 0.00 177.00 174.24 2pq9 s PRO 150 N -4.85 3.85 0.06 5.54 0.04 -1.26 -4.54 135.00 133.84 2pq9 s PRO 150 Ca 0.63 0.98 0.08 0.00 0.04 0.00 0.00 61.00 62.74 2pq9 s PRO 150 Cb -0.19 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2pq9 s PRO 150 CO 0.57 -0.36 -0.23 -0.51 0.04 0.00 0.00 177.00 176.51 2pq9 s LEU 151 N -4.17 2.20 -0.21 -3.56 1.43 -0.62 -2.18 118.68 111.58 2pq9 s LEU 151 Ca 0.59 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 2pq9 s LEU 151 Cb -0.11 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2pq9 s LEU 151 CO 0.33 0.17 -0.04 -0.60 0.23 0.00 0.00 176.35 176.43 2pq9 s ARG 152 N -1.38 3.41 -0.19 1.70 3.52 -0.21 -0.88 118.95 124.93 2pq9 s ARG 152 Ca 0.09 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 55.01 2pq9 s ARG 152 Cb -0.09 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 2pq9 s ARG 152 CO 0.03 -0.13 0.05 -0.51 -0.81 0.00 0.00 175.30 173.92 2pq9 s LEU 153 N 1.31 3.62 -0.07 -0.88 1.43 0.99 -1.42 118.68 123.66 2pq9 s LEU 153 Ca 0.04 -0.03 0.11 0.00 -1.03 0.00 0.00 54.13 53.22 2pq9 s LEU 153 Cb -0.14 -1.92 0.16 0.00 0.03 0.00 0.00 46.19 44.32 2pq9 s LEU 153 CO -0.02 0.12 1.08 0.00 0.23 0.00 0.00 176.35 177.76 2pq9 n GLN 154 N 3.87 1.90 0.00 1.70 6.02 -0.58 -2.05 117.38 128.23 2pq9 n GLN 154 Ca -0.17 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.75 2pq9 n GLN 154 Cb 0.52 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.52 2pq9 n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pq9 n GLY 155 N -1.01 -2.10 0.00 1.08 0.00 -1.25 -3.85 105.19 98.06 2pq9 n GLY 155 Ca 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2pq9 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pq9 n GLY 156 N -0.02 0.54 3.63 -0.02 0.00 0.22 -0.85 105.19 108.71 2pq9 n GLY 156 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2pq9 n GLY 156 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pq9 s PHE 157 N -2.00 2.39 -0.26 1.61 5.36 -0.51 -3.46 117.98 121.11 2pq9 s PHE 157 Ca 0.00 0.70 0.08 0.00 -0.96 0.00 0.00 56.93 56.75 2pq9 s PHE 157 Cb 0.00 -3.91 -0.11 0.00 -0.34 0.00 0.00 43.02 38.66 2pq9 s PHE 157 CO 0.00 -2.39 0.30 0.25 -1.46 0.00 0.00 175.22 171.92 2pq9 n THR 158 N 6.21 0.00 0.00 0.12 -2.24 -0.39 -4.48 114.28 113.49 2pq9 n THR 158 Ca 0.17 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2pq9 n THR 158 Cb 0.46 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 2pq9 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pq9 n GLY 159 N 1.48 -0.11 0.00 3.38 0.00 -1.15 -1.34 105.19 107.45 2pq9 n GLY 159 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2pq9 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pq9 n GLY 160 N 0.00 -0.69 3.59 -0.02 0.00 0.29 -4.55 105.19 103.80 2pq9 n GLY 160 Ca 0.00 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2pq9 n GLY 160 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pq9 s ASN 161 N -4.00 6.51 -0.08 1.61 0.02 -1.26 -1.34 114.94 116.40 2pq9 s ASN 161 Ca 0.00 0.34 0.04 0.00 -1.02 0.00 0.00 52.86 52.21 2pq9 s ASN 161 Cb 0.00 -2.36 0.00 0.00 0.02 0.00 0.00 41.25 38.92 2pq9 s ASN 161 CO 0.00 -0.60 -0.19 -0.69 0.02 0.00 0.00 177.10 175.64 2pq9 s VAL 162 N 2.81 1.67 0.04 1.60 1.01 -0.36 -4.68 120.40 122.51 2pq9 s VAL 162 Ca 0.27 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2pq9 s VAL 162 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2pq9 s VAL 162 CO 0.14 0.47 0.09 -1.81 0.00 0.00 0.00 175.10 174.00 2pq9 s ASP 163 N 0.40 5.66 -0.07 3.32 1.01 -1.26 -0.31 116.67 125.41 2pq9 s ASP 163 Ca -0.15 0.08 -0.06 0.00 0.71 0.00 0.00 52.55 53.13 2pq9 s ASP 163 Cb -0.16 -1.58 0.02 0.00 1.01 0.00 0.00 42.92 42.21 2pq9 s ASP 163 CO 0.06 0.21 0.19 0.54 0.21 0.00 0.00 175.17 176.38 2pq9 s VAL 164 N -1.32 -0.01 -0.04 -1.27 0.11 -0.09 -4.22 120.40 113.56 2pq9 s VAL 164 Ca 0.27 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 2pq9 s VAL 164 Cb -0.12 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2pq9 s VAL 164 CO 0.19 0.02 0.95 -0.62 -3.33 0.00 0.00 175.10 172.30 2pq9 s ASP 165 N 0.36 7.28 -0.03 3.54 -1.08 -1.26 -1.23 116.67 124.24 2pq9 s ASP 165 Ca -0.02 1.55 0.10 0.00 -0.52 0.00 0.00 52.55 53.66 2pq9 s ASP 165 Cb -0.04 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.19 2pq9 s ASP 165 CO -0.02 -0.29 1.25 0.61 0.52 0.00 0.00 175.17 177.24 2pq9 n GLY 166 N 3.00 3.04 0.14 2.66 0.00 -1.22 -4.70 105.19 108.11 2pq9 n GLY 166 Ca 0.06 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.76 2pq9 n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pq9 h SER 167 N 1.70 0.00 0.00 1.61 4.64 -1.86 -1.08 113.55 118.56 2pq9 h SER 167 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2pq9 h SER 167 Cb 0.82 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 2pq9 h SER 167 CO 0.03 0.00 -1.78 0.52 -0.87 0.00 0.00 176.83 174.73 2pq9 n VAL 168 N -2.49 0.78 -3.80 0.95 0.31 -1.26 -4.74 118.33 108.08 2pq9 n VAL 168 Ca 0.04 -0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 2pq9 n VAL 168 Cb 0.41 -1.26 -0.11 0.00 -0.91 0.00 0.00 33.84 31.97 2pq9 n VAL 168 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2pq9 s SER 169 N -5.70 -0.19 0.24 4.52 0.15 -1.26 -4.79 113.70 106.67 2pq9 s SER 169 Ca -0.19 0.30 0.26 0.00 0.70 0.00 0.00 55.95 57.01 2pq9 s SER 169 Cb 0.06 0.41 0.70 0.00 -1.71 0.00 0.00 66.02 65.49 2pq9 s SER 169 CO 0.29 -0.19 1.72 0.77 1.20 0.00 0.00 173.24 177.03 2pq9 h SER 170 N 5.22 0.00 0.42 5.45 4.64 -1.83 -3.33 113.55 124.12 2pq9 h SER 170 Ca -0.27 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 2pq9 h SER 170 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2pq9 h SER 170 CO 0.37 0.01 -0.09 1.56 -0.87 0.00 0.00 176.83 177.81 2pq9 h GLN 171 N 0.00 0.00 -0.10 4.77 4.20 -1.94 -1.09 115.11 120.94 2pq9 h GLN 171 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2pq9 h GLN 171 Cb 0.78 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 2pq9 h GLN 171 CO 0.00 0.09 -0.10 0.74 -0.67 0.00 0.00 178.83 178.89 2pq9 h PHE 172 N 0.00 0.29 -0.52 2.96 0.04 -1.93 -0.97 116.94 116.82 2pq9 h PHE 172 Ca -0.00 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 2pq9 h PHE 172 Cb 0.32 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2pq9 h PHE 172 CO 0.00 0.66 0.16 1.25 -0.60 0.00 0.00 178.31 179.78 2pq9 h LEU 173 N -0.16 0.75 -0.54 1.54 5.85 -1.72 -1.83 115.31 119.20 2pq9 h LEU 173 Ca 0.02 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.62 2pq9 h LEU 173 Cb 0.61 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 2pq9 h LEU 173 CO 0.02 0.76 0.12 0.74 -0.34 0.00 0.00 178.44 179.74 2pq9 h THR 174 N 0.71 0.70 -0.76 1.05 2.02 -1.12 0.72 112.91 116.22 2pq9 h THR 174 Ca 0.17 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2pq9 h THR 174 Cb 0.28 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2pq9 h THR 174 CO -0.01 0.05 0.42 0.00 0.37 0.00 0.00 175.52 176.35 2pq9 h ALA 175 N 1.42 0.97 -0.37 6.16 0.00 -0.82 -1.80 119.26 124.82 2pq9 h ALA 175 Ca 0.27 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2pq9 h ALA 175 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2pq9 h ALA 175 CO -0.35 0.48 0.02 -0.07 0.00 0.00 0.00 179.25 179.33 2pq9 h LEU 176 N 1.05 0.62 -0.92 0.00 3.38 -0.70 -2.56 115.31 116.18 2pq9 h LEU 176 Ca 0.27 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2pq9 h LEU 176 Cb 0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2pq9 h LEU 176 CO -0.04 0.76 0.61 -0.07 0.09 0.00 0.00 178.44 179.79 2pq9 h LEU 177 N 0.46 1.06 -0.93 1.67 3.38 -0.54 -0.47 115.31 119.94 2pq9 h LEU 177 Ca 0.11 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2pq9 h LEU 177 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pq9 h LEU 177 CO 0.02 0.77 -0.51 0.24 0.09 0.00 0.00 178.44 179.04 2pq9 h MET 178 N 1.25 0.07 0.14 1.13 2.86 -1.26 -3.33 114.93 115.78 2pq9 h MET 178 Ca 0.34 -0.04 -0.27 0.00 -2.06 0.00 0.00 59.70 57.67 2pq9 h MET 178 Cb -0.14 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.53 2pq9 h MET 178 CO -0.07 0.56 -1.33 1.15 1.06 0.00 0.00 176.91 178.28 2pq9 h THR 179 N 0.05 1.15 -1.00 2.22 2.02 -1.08 -3.40 112.91 112.87 2pq9 h THR 179 Ca -0.00 -2.47 0.19 0.00 0.77 0.00 0.00 66.41 64.90 2pq9 h THR 179 Cb 0.92 2.86 -0.11 0.00 -1.74 0.00 0.00 68.15 70.09 2pq9 h THR 179 CO 0.07 0.74 0.61 0.00 0.37 0.00 0.00 175.52 177.31 2pq9 h ALA 180 N 0.02 1.72 -0.50 6.16 0.00 -1.20 -2.28 119.26 123.18 2pq9 h ALA 180 Ca -0.27 0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.83 2pq9 h ALA 180 Cb 1.82 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 2pq9 h ALA 180 CO 0.12 -0.09 0.35 -1.35 0.00 0.00 0.00 179.25 178.27 2pq9 h PRO 181 N 0.73 0.15 -0.01 0.00 0.11 -1.78 -1.69 132.00 129.53 2pq9 h PRO 181 Ca 0.58 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.68 2pq9 h PRO 181 Cb 0.94 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2pq9 h PRO 181 CO -0.37 0.10 -0.20 1.28 -0.21 0.00 0.00 178.00 178.60 2pq9 n LEU 182 N -4.44 0.74 -4.80 2.35 4.32 -0.86 -0.60 117.00 113.72 2pq9 n LEU 182 Ca 0.08 -0.12 -0.34 0.00 -0.02 0.00 0.00 56.01 55.62 2pq9 n LEU 182 Cb 0.46 -0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 42.07 2pq9 n LEU 182 CO 0.35 0.14 0.72 0.00 -1.22 0.00 0.00 177.39 177.38 2pq9 s ALA 183 N -2.52 2.84 0.35 -1.18 0.00 -0.63 -4.56 121.76 116.06 2pq9 s ALA 183 Ca 0.26 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.84 2pq9 s ALA 183 Cb 0.19 -3.25 0.66 0.00 0.00 0.00 0.00 23.12 20.73 2pq9 s ALA 183 CO 0.51 -0.43 1.88 -1.00 0.00 0.00 0.00 175.76 176.72 2pq9 h PRO 184 N 1.31 0.42 -6.20 0.00 0.13 -1.86 0.69 132.00 126.49 2pq9 h PRO 184 Ca -0.49 -0.09 -0.51 0.00 -0.87 0.00 0.00 66.00 64.04 2pq9 h PRO 184 Cb 1.22 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2pq9 h PRO 184 CO 0.59 0.49 -0.54 -1.21 -0.23 0.00 0.00 178.00 177.10 2pq9 s GLU 185 N -4.86 2.85 0.60 0.86 2.02 -0.45 -4.24 118.70 115.49 2pq9 s GLU 185 Ca -0.07 -1.10 -0.18 0.00 0.02 0.00 0.00 54.97 53.65 2pq9 s GLU 185 Cb 0.15 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 2pq9 s GLU 185 CO 0.75 0.40 1.14 -0.51 0.02 0.00 0.00 175.26 177.06 2pq9 s ASP 186 N -3.82 5.31 -0.02 -0.19 -0.00 -1.26 -3.94 116.67 112.74 2pq9 s ASP 186 Ca 0.33 2.17 0.04 0.00 -0.00 0.00 0.00 52.55 55.08 2pq9 s ASP 186 Cb -0.08 -2.57 -0.00 0.00 -0.00 0.00 0.00 42.92 40.27 2pq9 s ASP 186 CO 0.24 -1.50 -0.13 -0.89 -0.00 0.00 0.00 175.17 172.90 2pq9 s THR 187 N -1.95 1.06 -0.23 -1.27 2.01 -0.19 -0.55 115.64 114.52 2pq9 s THR 187 Ca 0.72 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 62.18 2pq9 s THR 187 Cb -0.24 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.39 2pq9 s THR 187 CO 0.34 0.31 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.79 2pq9 s VAL 188 N -0.04 2.61 -0.33 3.82 1.01 -0.45 -0.42 120.40 126.61 2pq9 s VAL 188 Ca -0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 2pq9 s VAL 188 Cb -0.08 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2pq9 s VAL 188 CO 0.00 0.26 0.26 -0.63 0.00 0.00 0.00 175.10 175.00 2pq9 s ILE 189 N 1.29 5.26 -0.20 2.22 1.01 0.64 -1.22 121.20 130.20 2pq9 s ILE 189 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 2pq9 s ILE 189 Cb -0.16 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2pq9 s ILE 189 CO -0.06 0.03 0.04 -0.60 0.00 0.00 0.00 174.94 174.35 2pq9 s ARG 190 N 1.81 3.79 -0.11 2.79 3.00 0.58 -0.55 118.95 130.26 2pq9 s ARG 190 Ca 0.08 -0.43 -0.29 0.00 -1.00 0.00 0.00 55.73 54.08 2pq9 s ARG 190 Cb -0.17 -3.18 -0.01 0.00 0.00 0.00 0.00 34.95 31.59 2pq9 s ARG 190 CO 0.11 0.10 0.99 0.42 0.00 0.00 0.00 175.30 176.92 2pq9 s ILE 191 N 0.82 4.79 0.18 4.11 -1.09 -0.41 -0.92 121.20 128.68 2pq9 s ILE 191 Ca 0.02 2.01 -0.14 0.00 -2.23 0.00 0.00 60.65 60.31 2pq9 s ILE 191 Cb -0.14 -4.30 0.07 0.00 -1.58 0.00 0.00 42.46 36.51 2pq9 s ILE 191 CO 0.02 0.01 1.82 0.11 -1.23 0.00 0.00 174.94 175.67 2pq9 h LYS 192 N 7.11 0.63 0.00 2.79 1.57 -1.50 -3.47 116.57 123.70 2pq9 h LYS 192 Ca -0.31 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2pq9 h LYS 192 Cb 1.14 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2pq9 h LYS 192 CO 0.85 0.42 0.00 0.41 -0.57 0.00 0.00 179.45 180.56 2pq9 n GLY 193 N -1.24 1.37 3.86 3.86 0.00 -1.26 -5.08 105.19 106.70 2pq9 n GLY 193 Ca 0.03 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2pq9 n GLY 193 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pq9 s ASP 194 N 1.62 6.47 -0.18 1.61 1.01 -1.26 -4.94 116.67 121.01 2pq9 s ASP 194 Ca 0.00 1.46 -0.01 0.00 0.71 0.00 0.00 52.55 54.72 2pq9 s ASP 194 Cb 0.00 -2.47 0.05 0.00 1.01 0.00 0.00 42.92 41.50 2pq9 s ASP 194 CO 0.00 -0.66 -0.04 -0.22 0.21 0.00 0.00 175.17 174.45 2pq9 s LEU 195 N -4.44 1.67 0.50 1.23 2.96 -1.26 -2.59 118.68 116.75 2pq9 s LEU 195 Ca 0.57 -0.73 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2pq9 s LEU 195 Cb -0.10 -0.90 -0.00 0.00 0.50 0.00 0.00 46.19 45.68 2pq9 s LEU 195 CO 0.39 -0.20 0.75 0.68 -1.32 0.00 0.00 176.35 176.65 2pq9 s VAL 196 N 1.63 3.92 -1.58 1.68 -7.23 -0.41 -4.37 120.40 114.05 2pq9 s VAL 196 Ca -0.00 -0.31 -0.14 0.00 -1.81 0.00 0.00 61.98 59.72 2pq9 s VAL 196 Cb -0.16 -3.48 0.10 0.00 0.56 0.00 0.00 36.38 33.40 2pq9 s VAL 196 CO -0.07 -0.40 0.87 -1.20 -0.31 0.00 0.00 175.10 173.99 2pq9 n SER 197 N -2.25 -3.87 -0.30 4.85 7.64 -1.24 -4.15 113.62 114.30 2pq9 n SER 197 Ca 0.02 -0.88 0.20 0.00 1.01 0.00 0.00 58.87 59.22 2pq9 n SER 197 Cb 0.58 -3.45 0.48 0.00 -1.01 0.00 0.00 64.21 60.81 2pq9 n SER 197 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2pq9 h LYS 198 N -1.86 0.45 0.00 1.43 3.64 -1.83 -1.77 116.57 116.63 2pq9 h LYS 198 Ca -0.59 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.76 2pq9 h LYS 198 Cb 1.38 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2pq9 h LYS 198 CO 0.70 0.30 -0.01 -1.35 -2.27 0.00 0.00 179.45 176.82 2pq9 h PRO 199 N 0.46 0.00 0.00 1.90 0.11 -1.89 -1.43 132.00 131.15 2pq9 h PRO 199 Ca 0.54 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.61 2pq9 h PRO 199 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2pq9 h PRO 199 CO -0.26 0.01 -0.22 1.88 -0.21 0.00 0.00 178.00 179.21 2pq9 h TYR 200 N 0.00 0.00 -0.10 0.65 -1.99 -1.68 -2.33 116.97 111.52 2pq9 h TYR 200 Ca -0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 2pq9 h TYR 200 Cb 0.09 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 2pq9 h TYR 200 CO 0.00 0.22 -0.53 0.82 -0.00 0.00 0.00 178.16 178.66 2pq9 h ILE 201 N 0.00 1.35 -0.30 -2.88 1.08 -1.41 -2.20 117.51 113.16 2pq9 h ILE 201 Ca -0.00 -1.81 -0.09 0.00 -0.39 0.00 0.00 64.86 62.56 2pq9 h ILE 201 Cb 0.85 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.45 2pq9 h ILE 201 CO 0.03 0.54 -0.20 0.44 -0.69 0.00 0.00 178.15 178.27 2pq9 h ASP 202 N 0.23 0.56 -0.28 1.72 3.45 -1.45 -0.85 116.42 119.80 2pq9 h ASP 202 Ca 0.00 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.27 2pq9 h ASP 202 Cb 1.01 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.62 2pq9 h ASP 202 CO 0.09 0.77 0.13 0.40 -1.57 0.00 0.00 179.24 179.05 2pq9 h ILE 203 N 0.50 1.16 -0.40 0.35 2.04 -1.19 -1.69 117.51 118.29 2pq9 h ILE 203 Ca 0.08 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2pq9 h ILE 203 Cb 0.63 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2pq9 h ILE 203 CO 0.04 0.16 0.24 0.74 0.00 0.00 0.00 178.15 179.33 2pq9 h THR 204 N 0.31 1.05 -0.21 -0.27 2.02 -0.96 -1.28 112.91 113.57 2pq9 h THR 204 Ca 0.09 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2pq9 h THR 204 Cb 0.14 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2pq9 h THR 204 CO -0.01 0.09 -0.18 -0.07 0.37 0.00 0.00 175.52 175.72 2pq9 h LEU 205 N 0.48 0.34 -0.24 2.58 3.38 -1.07 -1.16 115.31 119.64 2pq9 h LEU 205 Ca 0.16 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2pq9 h LEU 205 Cb -0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2pq9 h LEU 205 CO -0.07 0.54 0.01 -1.13 0.09 0.00 0.00 178.44 177.89 2pq9 h ASN 206 N 0.33 0.40 -0.58 -0.43 -0.73 -0.90 -1.60 115.58 112.08 2pq9 h ASN 206 Ca 0.06 -0.30 -0.06 0.00 1.87 0.00 0.00 56.30 57.87 2pq9 h ASN 206 Cb 0.51 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 2pq9 h ASN 206 CO 0.03 0.60 0.11 -0.07 -0.37 0.00 0.00 177.43 177.74 2pq9 h LEU 207 N 0.19 0.90 -0.68 0.34 -0.00 -0.96 -1.73 115.31 113.36 2pq9 h LEU 207 Ca 0.07 -0.25 0.03 0.00 -0.00 0.00 0.00 57.88 57.73 2pq9 h LEU 207 Cb 0.39 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.77 2pq9 h LEU 207 CO 0.01 0.92 0.42 0.24 -0.00 0.00 0.00 178.44 180.03 2pq9 h MET 208 N 0.84 0.80 -0.70 1.13 2.86 -1.13 -1.89 114.93 116.84 2pq9 h MET 208 Ca 0.18 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2pq9 h MET 208 Cb 0.39 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2pq9 h MET 208 CO 0.01 0.53 0.30 -0.22 1.06 0.00 0.00 176.91 178.58 2pq9 h LYS 209 N 0.82 1.03 -0.78 1.72 1.63 -0.96 -0.68 116.57 119.35 2pq9 h LYS 209 Ca 0.28 -0.18 0.05 0.00 -0.85 0.00 0.00 60.65 59.95 2pq9 h LYS 209 Cb 0.04 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.45 2pq9 h LYS 209 CO -0.12 0.84 0.51 1.15 -3.45 0.00 0.00 179.45 178.39 2pq9 h THR 210 N 0.99 1.09 -0.30 1.00 2.02 -0.76 -1.26 112.91 115.68 2pq9 h THR 210 Ca 0.23 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2pq9 h THR 210 Cb 0.18 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2pq9 h THR 210 CO -0.02 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.52 2pq9 n PHE 211 N -4.46 0.95 -0.62 3.16 3.72 -0.76 -4.51 117.46 114.93 2pq9 n PHE 211 Ca 0.11 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2pq9 n PHE 211 Cb 0.16 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 2pq9 n PHE 211 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pq9 n GLY 212 N 0.45 0.63 2.97 1.37 0.00 -0.48 -0.81 105.19 109.32 2pq9 n GLY 212 Ca 0.14 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 2pq9 n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pq9 s VAL 213 N -2.00 0.67 0.13 1.61 1.01 -0.33 -4.89 120.40 116.60 2pq9 s VAL 213 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2pq9 s VAL 213 Cb 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2pq9 s VAL 213 CO 0.00 0.22 -0.16 -1.61 0.00 0.00 0.00 175.10 173.55 2pq9 s GLU 214 N 0.32 1.11 0.34 2.72 2.02 -1.26 -2.46 118.70 121.50 2pq9 s GLU 214 Ca -0.05 -1.27 0.04 0.00 0.02 0.00 0.00 54.97 53.71 2pq9 s GLU 214 Cb -0.09 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.99 2pq9 s GLU 214 CO 0.00 0.23 0.17 0.96 0.02 0.00 0.00 175.26 176.64 2pq9 s ILE 215 N -1.93 0.36 -0.36 -1.63 -5.25 -1.26 -4.84 121.20 106.28 2pq9 s ILE 215 Ca 0.10 -2.00 -0.14 0.00 -0.99 0.00 0.00 60.65 57.63 2pq9 s ILE 215 Cb -0.06 -2.47 -0.00 0.00 2.95 0.00 0.00 42.46 42.88 2pq9 s ILE 215 CO 0.04 0.00 0.26 -0.70 -1.79 0.00 0.00 174.94 172.76 2pq9 s GLU 216 N -3.72 3.31 -0.45 0.37 2.12 -0.29 -4.97 118.70 115.06 2pq9 s GLU 216 Ca 0.33 -0.78 -0.16 0.00 0.36 0.00 0.00 54.97 54.72 2pq9 s GLU 216 Cb 0.04 -3.87 0.05 0.00 0.26 0.00 0.00 34.13 30.61 2pq9 s GLU 216 CO 0.18 -0.55 0.43 1.21 -0.54 0.00 0.00 175.26 175.99 2pq9 s ASN 217 N 1.71 6.16 -0.96 -1.70 3.84 -1.26 -1.21 114.94 121.51 2pq9 s ASN 217 Ca 0.06 -1.01 -0.15 0.00 0.21 0.00 0.00 52.86 51.97 2pq9 s ASN 217 Cb -0.18 -2.21 0.19 0.00 -0.55 0.00 0.00 41.25 38.50 2pq9 s ASN 217 CO 0.10 -0.63 1.05 -1.10 -2.79 0.00 0.00 177.10 173.73 2pq9 s GLN 218 N 1.94 3.76 -1.44 0.43 -0.21 0.14 -4.62 119.66 119.67 2pq9 s GLN 218 Ca 0.08 -2.34 -0.13 0.00 0.02 0.00 0.00 55.36 52.99 2pq9 s GLN 218 Cb -0.21 -4.72 0.11 0.00 1.00 0.00 0.00 33.01 29.19 2pq9 s GLN 218 CO 0.10 -1.53 0.64 0.72 -2.12 0.00 0.00 175.29 173.10 2pq9 n HIS 219 N 4.97 -1.82 -1.51 0.91 8.25 -1.26 -1.21 115.22 123.55 2pq9 n HIS 219 Ca 0.22 0.62 -0.17 0.00 -0.26 0.00 0.00 57.72 58.14 2pq9 n HIS 219 Cb 0.46 -2.97 -0.07 0.00 1.12 0.00 0.00 29.99 28.53 2pq9 n HIS 219 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2pq9 n TYR 220 N -4.13 -0.23 -0.02 4.41 4.02 -1.26 -4.77 117.16 115.17 2pq9 n TYR 220 Ca 0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.94 2pq9 n TYR 220 Cb 0.52 -3.00 -0.10 0.00 -0.02 0.00 0.00 39.34 36.74 2pq9 n TYR 220 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2pq9 n GLN 221 N -2.12 0.93 -3.67 -0.72 1.13 -0.35 -4.84 117.38 107.73 2pq9 n GLN 221 Ca -0.17 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 54.70 2pq9 n GLN 221 Cb 0.55 -1.30 -0.09 0.00 0.11 0.00 0.00 30.24 29.51 2pq9 n GLN 221 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2pq9 s GLN 222 N -2.69 0.63 -0.14 -1.09 0.74 -1.16 -1.29 119.66 114.66 2pq9 s GLN 222 Ca -0.05 0.91 0.02 0.00 0.05 0.00 0.00 55.36 56.29 2pq9 s GLN 222 Cb 0.07 0.21 0.01 0.00 1.10 0.00 0.00 33.01 34.40 2pq9 s GLN 222 CO 0.52 -0.11 -0.20 -0.06 -0.55 0.00 0.00 175.29 174.89 2pq9 s PHE 223 N 0.86 2.50 -0.27 1.67 0.40 0.29 -0.68 117.98 122.76 2pq9 s PHE 223 Ca -0.04 -1.30 -0.11 0.00 -0.60 0.00 0.00 56.93 54.87 2pq9 s PHE 223 Cb -0.05 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 2pq9 s PHE 223 CO -0.07 -0.62 0.19 0.08 0.70 0.00 0.00 175.22 175.49 2pq9 s VAL 224 N 0.99 5.32 -0.07 -0.44 1.01 -0.35 -0.26 120.40 126.59 2pq9 s VAL 224 Ca -0.04 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.17 2pq9 s VAL 224 Cb -0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2pq9 s VAL 224 CO -0.04 0.26 -0.24 -0.69 0.00 0.00 0.00 175.10 174.39 2pq9 s VAL 225 N 1.65 1.99 -0.09 2.92 1.01 0.44 -1.14 120.40 127.18 2pq9 s VAL 225 Ca 0.07 -1.02 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 2pq9 s VAL 225 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2pq9 s VAL 225 CO 0.10 0.55 0.54 -0.54 0.00 0.00 0.00 175.10 175.75 2pq9 s LYS 226 N -0.00 4.35 0.92 2.72 1.02 -1.26 -1.02 119.74 126.46 2pq9 s LYS 226 Ca -0.08 0.58 -0.12 0.00 0.02 0.00 0.00 55.97 56.38 2pq9 s LYS 226 Cb -0.15 -3.42 0.20 0.00 -0.52 0.00 0.00 37.83 33.94 2pq9 s LYS 226 CO 0.05 0.17 1.25 0.20 -0.92 0.00 0.00 175.35 176.10 2pq9 s GLY 227 N 0.53 1.80 -0.66 -3.33 0.00 -1.25 -4.47 107.32 99.93 2pq9 s GLY 227 Ca 0.29 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2pq9 s GLY 227 CO 0.13 -0.71 0.00 0.61 0.00 0.00 0.00 173.10 173.13 2pq9 n GLY 228 N -3.56 0.86 3.97 0.20 0.00 0.23 -4.89 105.19 102.01 2pq9 n GLY 228 Ca 0.16 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 2pq9 n GLY 228 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pq9 s GLN 229 N -2.41 1.86 0.00 1.61 -0.21 0.23 -5.01 119.66 115.73 2pq9 s GLN 229 Ca 0.00 -0.85 -0.00 0.00 0.02 0.00 0.00 55.36 54.53 2pq9 s GLN 229 Cb 0.00 -2.30 -0.00 0.00 1.00 0.00 0.00 33.01 31.70 2pq9 s GLN 229 CO 0.00 -1.33 -0.00 -1.12 -2.12 0.00 0.00 175.29 170.71 2pq9 s SER 230 N -4.65 0.04 0.26 5.90 0.01 -1.26 -4.41 113.70 109.59 2pq9 s SER 230 Ca 0.64 -0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.65 2pq9 s SER 230 Cb -0.07 0.02 -0.08 0.00 0.21 0.00 0.00 66.02 66.09 2pq9 s SER 230 CO 0.44 -0.05 0.71 -0.31 0.41 0.00 0.00 173.24 174.44 2pq9 s TYR 231 N -0.25 3.52 -0.03 2.43 2.02 -1.26 -4.83 117.35 118.95 2pq9 s TYR 231 Ca -0.03 1.28 0.05 0.00 -0.37 0.00 0.00 57.07 58.00 2pq9 s TYR 231 Cb -0.02 -2.56 -0.01 0.00 -0.40 0.00 0.00 41.96 38.98 2pq9 s TYR 231 CO -0.00 0.24 -0.18 -0.65 -1.57 0.00 0.00 175.55 173.38 2pq9 s GLN 232 N -2.42 1.69 0.31 -0.62 -1.52 0.01 -1.32 119.66 115.79 2pq9 s GLN 232 Ca 0.47 -0.65 -0.30 0.00 -1.95 0.00 0.00 55.36 52.94 2pq9 s GLN 232 Cb -0.14 -1.54 -0.12 0.00 -0.22 0.00 0.00 33.01 31.00 2pq9 s GLN 232 CO 0.19 0.33 1.56 0.45 -0.25 0.00 0.00 175.29 177.57 2pq9 n SER 233 N 2.88 3.78 -0.58 5.90 2.88 -0.59 -4.40 113.62 123.49 2pq9 n SER 233 Ca -0.17 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.65 2pq9 n SER 233 Cb 0.53 -1.59 0.37 0.00 -0.75 0.00 0.00 64.21 62.77 2pq9 n SER 233 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2pq9 n PRO 234 N 1.68 1.77 0.00 -1.46 -0.04 -1.26 -5.01 135.00 130.68 2pq9 n PRO 234 Ca 0.07 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 2pq9 n PRO 234 Cb 0.37 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2pq9 n PRO 234 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pq9 n GLY 235 N 1.15 1.49 3.87 0.55 0.00 -1.26 -4.81 105.19 106.18 2pq9 n GLY 235 Ca 0.16 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 2pq9 n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pq9 s THR 236 N 0.00 5.08 -0.05 2.61 -4.23 -1.26 -1.44 115.64 116.35 2pq9 s THR 236 Ca 0.00 0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.89 2pq9 s THR 236 Cb 0.00 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.23 2pq9 s THR 236 CO 0.00 0.21 0.09 -0.47 -0.54 0.00 0.00 174.62 173.91 2pq9 s TYR 237 N -1.48 -0.05 -0.30 3.99 5.04 0.13 -4.92 117.35 119.75 2pq9 s TYR 237 Ca 0.36 0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 55.14 2pq9 s TYR 237 Cb -0.13 -0.23 -0.02 0.00 0.35 0.00 0.00 41.96 41.93 2pq9 s TYR 237 CO 0.19 -0.15 0.48 -1.17 -1.34 0.00 0.00 175.55 173.56 2pq9 s LEU 238 N 1.43 4.18 0.02 6.97 2.96 -1.26 -1.24 118.68 131.74 2pq9 s LEU 238 Ca -0.05 0.22 -0.30 0.00 -0.22 0.00 0.00 54.13 53.78 2pq9 s LEU 238 Cb -0.12 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2pq9 s LEU 238 CO -0.04 -0.35 1.06 -0.69 -1.32 0.00 0.00 176.35 175.01 2pq9 s VAL 239 N 2.29 4.57 0.72 1.68 1.01 -0.23 -4.97 120.40 125.45 2pq9 s VAL 239 Ca 0.19 1.84 -0.16 0.00 0.00 0.00 0.00 61.98 63.85 2pq9 s VAL 239 Cb -0.16 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2pq9 s VAL 239 CO 0.11 0.14 1.23 -1.61 0.00 0.00 0.00 175.10 174.97 2pq9 s GLU 240 N 1.08 2.19 0.87 2.72 2.02 -1.26 -4.74 118.70 121.58 2pq9 s GLU 240 Ca 0.54 1.86 -0.11 0.00 0.02 0.00 0.00 54.97 57.28 2pq9 s GLU 240 Cb -0.24 -1.83 0.11 0.00 0.10 0.00 0.00 34.13 32.28 2pq9 s GLU 240 CO 0.28 -1.82 1.10 0.20 0.02 0.00 0.00 175.26 175.03 2pq9 s GLY 241 N -1.83 1.65 -0.41 -1.39 0.00 -0.34 -0.52 107.32 104.47 2pq9 s GLY 241 Ca 0.77 0.17 -0.27 0.00 0.00 0.00 0.00 44.72 45.39 2pq9 s GLY 241 CO 0.44 0.61 0.99 -0.35 0.00 0.00 0.00 173.10 174.78 2pq9 s ASP 242 N -3.23 6.65 0.43 1.64 3.68 0.23 -4.12 116.67 121.95 2pq9 s ASP 242 Ca 0.63 0.48 0.22 0.00 2.13 0.00 0.00 52.55 56.02 2pq9 s ASP 242 Cb -0.19 -2.49 0.95 0.00 -1.45 0.00 0.00 42.92 39.74 2pq9 s ASP 242 CO 0.57 -0.99 1.85 0.00 0.13 0.00 0.00 175.17 176.73 2pq9 h ALA 243 N 8.75 1.10 -0.13 3.66 0.00 -1.92 -1.11 119.26 129.61 2pq9 h ALA 243 Ca -0.23 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2pq9 h ALA 243 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pq9 h ALA 243 CO 1.03 0.33 -0.35 0.77 0.00 0.00 0.00 179.25 181.03 2pq9 h SER 244 N 0.00 0.52 0.03 0.00 0.02 -1.91 -2.88 113.55 109.33 2pq9 h SER 244 Ca -0.00 -0.59 -0.04 0.00 -0.84 0.00 0.00 61.79 60.32 2pq9 h SER 244 Cb 0.70 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2pq9 h SER 244 CO 0.03 1.02 -0.11 0.28 -1.14 0.00 0.00 176.83 176.91 2pq9 h SER 245 N 0.05 0.18 0.34 3.07 0.02 -1.92 -2.09 113.55 113.20 2pq9 h SER 245 Ca -0.01 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2pq9 h SER 245 Cb 0.96 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2pq9 h SER 245 CO 0.07 0.33 -0.26 0.00 -1.14 0.00 0.00 176.83 175.83 2pq9 h ALA 246 N 1.70 1.43 -0.95 3.77 0.00 -1.06 -3.18 119.26 120.98 2pq9 h ALA 246 Ca 0.04 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.85 2pq9 h ALA 246 Cb 0.32 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2pq9 h ALA 246 CO 0.02 0.33 0.60 0.66 0.00 0.00 0.00 179.25 180.86 2pq9 h SER 247 N 0.00 0.78 -0.67 0.00 4.64 -1.17 -2.07 113.55 115.06 2pq9 h SER 247 Ca -0.00 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2pq9 h SER 247 Cb 0.50 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2pq9 h SER 247 CO 0.03 0.40 0.32 1.88 -0.87 0.00 0.00 176.83 178.59 2pq9 h TYR 248 N 0.83 0.97 0.02 4.77 0.05 -1.72 -0.99 116.97 120.90 2pq9 h TYR 248 Ca 0.48 -0.05 -0.23 0.00 0.05 0.00 0.00 58.73 58.98 2pq9 h TYR 248 Cb 0.63 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.07 2pq9 h TYR 248 CO -0.00 0.73 -0.97 0.74 -1.05 0.00 0.00 178.16 177.61 2pq9 h PHE 249 N 0.94 0.54 -0.42 4.88 0.04 -1.58 -1.30 116.94 120.04 2pq9 h PHE 249 Ca 0.23 -0.31 -0.11 0.00 2.80 0.00 0.00 57.97 60.59 2pq9 h PHE 249 Cb 0.12 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2pq9 h PHE 249 CO 0.00 1.14 -0.16 -0.07 -0.60 0.00 0.00 178.31 178.63 2pq9 h LEU 250 N 0.19 0.86 -0.79 1.54 3.38 -1.31 -2.77 115.31 116.42 2pq9 h LEU 250 Ca -0.08 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 2pq9 h LEU 250 Cb 1.61 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 2pq9 h LEU 250 CO 0.16 1.05 0.30 0.00 0.09 0.00 0.00 178.44 180.05 2pq9 h ALA 251 N 0.84 1.03 -0.84 1.53 0.00 -1.18 -2.05 119.26 118.59 2pq9 h ALA 251 Ca 0.10 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2pq9 h ALA 251 Cb 0.71 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2pq9 h ALA 251 CO 0.05 0.67 0.49 0.00 0.00 0.00 0.00 179.25 180.46 2pq9 h ALA 252 N 1.16 1.19 -0.32 0.00 0.00 -1.02 -0.93 119.26 119.35 2pq9 h ALA 252 Ca 0.26 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2pq9 h ALA 252 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2pq9 h ALA 252 CO -0.02 0.14 -0.39 0.00 0.00 0.00 0.00 179.25 178.98 2pq9 h ALA 253 N 1.45 0.71 0.00 0.00 0.00 -1.19 0.22 119.26 120.46 2pq9 h ALA 253 Ca 0.40 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2pq9 h ALA 253 Cb 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2pq9 h ALA 253 CO -0.23 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.55 2pq9 h ALA 254 N 0.93 1.74 0.07 0.00 0.00 -0.59 0.27 119.26 121.68 2pq9 h ALA 254 Ca 0.05 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 2pq9 h ALA 254 Cb 0.94 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2pq9 h ALA 254 CO 0.09 0.16 -1.28 0.82 0.00 0.00 0.00 179.25 179.04 2pq9 h ILE 255 N 0.00 1.03 0.00 0.00 2.04 -0.95 -3.41 117.51 116.22 2pq9 h ILE 255 Ca -0.00 -2.32 -0.01 0.00 1.00 0.00 0.00 64.86 63.53 2pq9 h ILE 255 Cb 0.23 2.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 2pq9 h ILE 255 CO 0.02 0.59 -0.41 1.17 0.00 0.00 0.00 178.15 179.52 2pq9 n LYS 256 N -4.11 0.39 -2.19 2.37 3.00 0.76 -5.06 118.16 113.32 2pq9 n LYS 256 Ca -0.26 -1.56 -0.28 0.00 -0.00 0.00 0.00 58.31 56.21 2pq9 n LYS 256 Cb 0.81 -0.76 0.18 0.00 0.00 0.00 0.00 35.03 35.25 2pq9 n LYS 256 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2pq9 s GLY 257 N -1.64 1.80 0.08 3.14 0.00 0.08 -1.71 107.32 109.06 2pq9 s GLY 257 Ca 0.12 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2pq9 s GLY 257 CO -0.01 -0.78 0.00 0.61 0.00 0.00 0.00 173.10 172.93 2pq9 n GLY 258 N -3.52 -2.00 3.06 0.20 0.00 -1.26 -4.58 105.19 97.10 2pq9 n GLY 258 Ca 0.17 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 2pq9 n GLY 258 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pq9 s THR 259 N -2.12 1.33 -0.13 2.61 2.01 -1.26 -1.93 115.64 116.16 2pq9 s THR 259 Ca 0.00 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2pq9 s THR 259 Cb 0.00 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.32 2pq9 s THR 259 CO 0.00 0.40 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.42 2pq9 s VAL 260 N 0.65 1.99 -0.13 3.82 1.01 -0.49 -1.13 120.40 126.12 2pq9 s VAL 260 Ca -0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 2pq9 s VAL 260 Cb -0.16 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2pq9 s VAL 260 CO 0.04 0.54 -0.06 -0.75 0.00 0.00 0.00 175.10 174.87 2pq9 s LYS 261 N 0.79 3.45 -0.10 2.72 2.20 -0.17 -1.11 119.74 127.51 2pq9 s LYS 261 Ca -0.08 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 2pq9 s LYS 261 Cb -0.16 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2pq9 s LYS 261 CO -0.01 0.32 -0.11 0.14 -0.36 0.00 0.00 175.35 175.34 2pq9 s VAL 262 N 0.12 3.29 0.16 4.02 -7.23 -0.26 -0.67 120.40 119.84 2pq9 s VAL 262 Ca -0.02 -0.60 0.07 0.00 -1.81 0.00 0.00 61.98 59.62 2pq9 s VAL 262 Cb -0.14 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2pq9 s VAL 262 CO 0.03 0.55 0.02 0.42 -0.31 0.00 0.00 175.10 175.81 2pq9 s THR 263 N -0.11 3.85 0.00 5.32 -4.23 0.10 -1.79 115.64 118.77 2pq9 s THR 263 Ca -0.00 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2pq9 s THR 263 Cb -0.13 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2pq9 s THR 263 CO 0.03 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2pq9 n GLY 264 N -0.07 1.62 3.09 3.99 0.00 -0.62 -1.93 105.19 111.27 2pq9 n GLY 264 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 2pq9 n GLY 264 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pq9 s ILE 265 N -2.16 0.51 0.00 -0.61 -4.36 -1.26 -1.20 121.20 112.12 2pq9 s ILE 265 Ca 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 2pq9 s ILE 265 Cb 0.00 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.71 2pq9 s ILE 265 CO 0.00 -0.61 0.00 0.61 0.24 0.00 0.00 174.94 175.18 2pq9 n GLY 266 N 0.87 2.72 0.31 6.27 0.00 -1.25 -0.79 105.19 113.31 2pq9 n GLY 266 Ca -0.19 -0.87 0.20 0.00 0.00 0.00 0.00 46.02 45.17 2pq9 n GLY 266 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pq9 h ARG 267 N 0.00 0.00 -0.02 1.61 0.11 -1.53 -2.20 114.38 112.35 2pq9 h ARG 267 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2pq9 h ARG 267 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2pq9 h ARG 267 CO 0.00 0.00 -0.14 0.09 0.10 0.00 0.00 179.97 180.02 2pq9 n ASN 268 N -3.03 1.89 -4.68 0.08 3.02 -1.26 -5.00 115.26 106.29 2pq9 n ASN 268 Ca -0.02 -1.50 -0.40 0.00 -0.03 0.00 0.00 54.58 52.64 2pq9 n ASN 268 Cb 0.14 0.11 0.03 0.00 -0.61 0.00 0.00 39.78 39.46 2pq9 n ASN 268 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2pq9 n SER 269 N 0.27 1.94 0.04 6.41 2.88 -0.83 -4.91 113.62 119.41 2pq9 n SER 269 Ca 0.14 0.99 0.13 0.00 -1.33 0.00 0.00 58.87 58.80 2pq9 n SER 269 Cb 0.44 -1.47 0.40 0.00 -0.75 0.00 0.00 64.21 62.83 2pq9 n SER 269 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2pq9 n MET 270 N -0.47 0.12 -2.60 -1.46 0.00 -1.26 -4.88 117.12 106.56 2pq9 n MET 270 Ca 0.10 0.07 -0.42 0.00 0.00 0.00 0.00 57.70 57.45 2pq9 n MET 270 Cb 0.43 -1.61 -0.03 0.00 0.00 0.00 0.00 33.22 32.00 2pq9 n MET 270 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2pq9 s GLN 271 N -3.06 4.56 0.53 3.17 -0.21 -1.26 -4.48 119.66 118.91 2pq9 s GLN 271 Ca 0.11 1.57 0.30 0.00 0.02 0.00 0.00 55.36 57.36 2pq9 s GLN 271 Cb 0.16 -3.38 1.47 0.00 1.00 0.00 0.00 33.01 32.25 2pq9 s GLN 271 CO 0.62 -0.04 2.06 0.78 -2.12 0.00 0.00 175.29 176.59 2pq9 h GLY 272 N 6.30 0.00 1.72 3.09 0.00 -1.90 -3.04 103.07 109.24 2pq9 h GLY 272 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2pq9 h GLY 272 CO 0.76 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.52 2pq9 n ASP 273 N -3.46 0.00 0.29 0.19 10.43 -1.26 -1.57 116.55 121.17 2pq9 n ASP 273 Ca -0.01 0.23 0.18 0.00 2.57 0.00 0.00 54.79 57.75 2pq9 n ASP 273 Cb 0.26 -0.36 0.86 0.00 1.84 0.00 0.00 41.12 43.72 2pq9 n ASP 273 CO 0.00 0.00 0.00 0.16 -1.07 0.00 0.00 177.20 176.29 2pq9 h ILE 274 N 0.00 0.17 0.00 0.53 3.07 -1.82 -1.29 117.51 118.17 2pq9 h ILE 274 Ca 0.00 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 66.03 2pq9 h ILE 274 Cb 0.16 1.31 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 2pq9 h ILE 274 CO 0.00 0.04 0.00 0.54 -1.05 0.00 0.00 178.15 177.68 2pq9 n ARG 275 N -3.24 0.08 -0.17 0.16 5.12 -0.61 -1.61 116.66 116.39 2pq9 n ARG 275 Ca -0.01 0.25 -0.01 0.00 -1.93 0.00 0.00 57.85 56.15 2pq9 n ARG 275 Cb 0.22 -1.50 0.23 0.00 -1.16 0.00 0.00 32.46 30.25 2pq9 n ARG 275 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2pq9 h PHE 276 N 0.00 0.89 -0.81 -1.55 3.57 -1.44 -1.62 116.94 115.98 2pq9 h PHE 276 Ca 0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.51 2pq9 h PHE 276 Cb 0.14 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 2pq9 h PHE 276 CO 0.00 0.64 0.53 0.00 -2.23 0.00 0.00 178.31 177.25 2pq9 h ALA 277 N 1.46 1.50 -0.11 2.41 0.00 -1.50 -1.30 119.26 121.72 2pq9 h ALA 277 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2pq9 h ALA 277 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2pq9 h ALA 277 CO -0.03 0.42 -0.19 -0.44 0.00 0.00 0.00 179.25 179.01 2pq9 h ASP 278 N 1.00 0.17 -0.35 0.00 3.32 -1.46 -1.47 116.42 117.64 2pq9 h ASP 278 Ca 0.32 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 2pq9 h ASP 278 Cb 0.02 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2pq9 h ASP 278 CO -0.09 0.37 -0.24 0.58 -1.72 0.00 0.00 179.24 178.15 2pq9 h VAL 279 N 0.17 1.29 -0.60 -1.35 2.07 -1.09 -1.41 116.25 115.33 2pq9 h VAL 279 Ca 0.03 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 2pq9 h VAL 279 Cb 0.43 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2pq9 h VAL 279 CO 0.03 0.45 0.28 -0.07 0.02 0.00 0.00 177.57 178.29 2pq9 h LEU 280 N 0.56 0.76 -0.77 2.57 3.38 -0.85 -1.06 115.31 119.89 2pq9 h LEU 280 Ca 0.07 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2pq9 h LEU 280 Cb 0.80 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2pq9 h LEU 280 CO 0.06 0.65 0.04 -0.08 0.09 0.00 0.00 178.44 179.21 2pq9 h GLU 281 N 0.85 0.98 0.00 1.13 4.81 -1.12 -1.39 114.58 119.83 2pq9 h GLU 281 Ca 0.21 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 2pq9 h GLU 281 Cb 0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2pq9 h GLU 281 CO -0.03 0.94 -0.25 0.87 -0.73 0.00 0.00 179.01 179.81 2pq9 h LYS 282 N 0.91 0.00 0.00 1.92 1.57 -0.39 -2.24 116.57 118.34 2pq9 h LYS 282 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2pq9 h LYS 282 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2pq9 h LYS 282 CO 0.02 0.25 -0.14 0.52 -0.57 0.00 0.00 179.45 179.52 2pq9 h MET 283 N 0.00 0.00 0.00 3.15 2.86 -0.39 -3.47 114.93 117.09 2pq9 h MET 283 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2pq9 h MET 283 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2pq9 h MET 283 CO 0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.41 2pq9 n GLY 284 N 1.29 0.49 3.92 8.32 0.00 -0.84 0.12 105.19 118.49 2pq9 n GLY 284 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2pq9 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pq9 s ALA 285 N -1.46 3.29 -0.18 4.61 0.00 -0.60 -1.61 121.76 125.81 2pq9 s ALA 285 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 2pq9 s ALA 285 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2pq9 s ALA 285 CO 0.00 -0.84 0.05 0.99 0.00 0.00 0.00 175.76 175.96 2pq9 s THR 286 N -3.02 4.68 -0.04 0.00 2.01 -0.48 -4.27 115.64 114.52 2pq9 s THR 286 Ca 0.54 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.53 2pq9 s THR 286 Cb -0.11 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 2pq9 s THR 286 CO 0.45 0.47 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.00 2pq9 s ILE 287 N 0.33 2.33 -0.08 1.82 -1.09 -1.26 -0.28 121.20 122.97 2pq9 s ILE 287 Ca 0.02 -0.99 0.04 0.00 -2.23 0.00 0.00 60.65 57.49 2pq9 s ILE 287 Cb -0.13 -1.85 -0.00 0.00 -1.58 0.00 0.00 42.46 38.91 2pq9 s ILE 287 CO 0.00 0.58 -0.22 0.00 -1.23 0.00 0.00 174.94 174.07 2pq9 s TRP 289 N 0.28 3.05 0.38 0.00 0.52 -1.26 -0.68 118.94 121.23 2pq9 s TRP 289 Ca -0.15 0.10 0.05 0.00 0.02 0.00 0.00 56.10 56.12 2pq9 s TRP 289 Cb -0.16 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 2pq9 s TRP 289 CO 0.07 0.39 0.17 0.41 0.02 0.00 0.00 176.95 178.01 2pq9 n GLY 290 N 2.23 3.19 0.16 0.98 0.00 -0.26 -4.97 105.19 106.52 2pq9 n GLY 290 Ca -0.18 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 2pq9 n GLY 290 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2pq9 h ASP 291 N 1.66 0.50 0.00 1.61 3.58 -1.95 -1.86 116.42 119.96 2pq9 h ASP 291 Ca -0.29 -0.36 -0.05 0.00 0.42 0.00 0.00 57.03 56.75 2pq9 h ASP 291 Cb 1.17 -0.15 -0.11 0.00 1.72 0.00 0.00 39.33 41.96 2pq9 h ASP 291 CO 0.45 1.14 -0.57 -0.67 -2.88 0.00 0.00 179.24 176.71 2pq9 n ASP 292 N -3.78 1.45 -3.48 2.28 2.03 -1.26 -3.97 116.55 109.82 2pq9 n ASP 292 Ca -0.05 -3.07 -0.12 0.00 0.52 0.00 0.00 54.79 52.07 2pq9 n ASP 292 Cb 0.77 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 2pq9 n ASP 292 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2pq9 s TYR 293 N -1.97 -0.47 -0.02 -0.67 -0.85 0.03 -1.59 117.35 111.80 2pq9 s TYR 293 Ca 0.32 0.28 0.01 0.00 -0.52 0.00 0.00 57.07 57.16 2pq9 s TYR 293 Cb 0.33 0.48 0.01 0.00 0.38 0.00 0.00 41.96 43.16 2pq9 s TYR 293 CO -0.07 -0.80 -0.04 0.42 -1.52 0.00 0.00 175.55 173.54 2pq9 s ILE 294 N -3.60 0.41 0.14 -3.49 1.01 -0.74 -1.11 121.20 113.82 2pq9 s ILE 294 Ca 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.58 2pq9 s ILE 294 Cb -0.00 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 2pq9 s ILE 294 CO -0.11 0.15 -0.15 -0.94 0.00 0.00 0.00 174.94 173.90 2pq9 s SER 295 N 0.40 2.16 -0.04 3.58 1.04 0.15 -1.10 113.70 119.89 2pq9 s SER 295 Ca -0.04 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.56 2pq9 s SER 295 Cb -0.08 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.96 2pq9 s SER 295 CO -0.00 -0.14 -0.10 0.00 0.98 0.00 0.00 173.24 173.97 2pq9 s THR 297 N 0.33 1.83 0.19 0.00 2.01 0.62 -1.39 115.64 119.23 2pq9 s THR 297 Ca -0.06 -0.95 -0.33 0.00 0.31 0.00 0.00 61.69 60.66 2pq9 s THR 297 Cb -0.11 -1.54 -0.14 0.00 0.01 0.00 0.00 72.50 70.71 2pq9 s THR 297 CO 0.01 0.51 1.41 -1.14 -0.69 0.00 0.00 174.62 174.72 2pq9 n ARG 298 N 2.88 1.85 0.00 4.92 3.00 -0.81 -1.38 116.66 127.12 2pq9 n ARG 298 Ca -0.17 0.66 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 2pq9 n ARG 298 Cb 0.52 -2.32 0.00 0.00 0.00 0.00 0.00 32.46 30.66 2pq9 n ARG 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2pq9 n GLY 299 N 2.49 1.64 3.34 5.14 0.00 -1.26 -4.74 105.19 111.80 2pq9 n GLY 299 Ca 0.14 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 2pq9 n GLY 299 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pq9 s GLU 300 N 1.08 1.66 -0.20 1.61 -1.05 -0.63 -4.97 118.70 116.20 2pq9 s GLU 300 Ca 0.00 -1.96 -0.04 0.00 -0.15 0.00 0.00 54.97 52.82 2pq9 s GLU 300 Cb 0.00 -0.03 0.08 0.00 -0.44 0.00 0.00 34.13 33.74 2pq9 s GLU 300 CO 0.00 -0.51 0.13 -1.17 0.95 0.00 0.00 175.26 174.67 2pq9 s LEU 301 N -3.39 0.23 0.02 1.83 2.96 -1.24 -3.20 118.68 115.90 2pq9 s LEU 301 Ca 0.36 -0.60 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 2pq9 s LEU 301 Cb 0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.62 2pq9 s LEU 301 CO 0.19 -0.36 -0.10 0.20 -1.32 0.00 0.00 176.35 174.96 2pq9 s ASN 302 N 2.19 4.36 0.68 3.68 0.01 0.12 -0.95 114.94 125.02 2pq9 s ASN 302 Ca 0.04 -0.25 -0.16 0.00 -0.71 0.00 0.00 52.86 51.78 2pq9 s ASN 302 Cb -0.16 -0.92 0.01 0.00 0.41 0.00 0.00 41.25 40.59 2pq9 s ASN 302 CO -0.14 0.26 1.20 0.00 -1.51 0.00 0.00 177.10 176.92 2pq9 s ALA 303 N -0.99 2.29 0.18 0.60 0.00 -0.27 -4.57 121.76 119.00 2pq9 s ALA 303 Ca 0.17 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.04 2pq9 s ALA 303 Cb -0.11 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 2pq9 s ALA 303 CO 0.07 -1.59 0.01 0.96 0.00 0.00 0.00 175.76 175.21 2pq9 s ILE 304 N -1.89 0.70 -0.26 0.00 -4.36 -1.26 -4.95 121.20 109.18 2pq9 s ILE 304 Ca 0.75 -1.99 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 2pq9 s ILE 304 Cb -0.29 -2.17 0.09 0.00 1.25 0.00 0.00 42.46 41.34 2pq9 s ILE 304 CO 0.41 -0.43 0.09 -0.62 0.24 0.00 0.00 174.94 174.62 2pq9 s ASP 305 N -3.19 3.46 0.02 4.36 3.68 -1.26 -0.90 116.67 122.84 2pq9 s ASP 305 Ca 0.25 -1.23 -0.03 0.00 2.13 0.00 0.00 52.55 53.67 2pq9 s ASP 305 Cb 0.06 -0.61 -0.02 0.00 -1.45 0.00 0.00 42.92 40.90 2pq9 s ASP 305 CO 0.05 -0.38 0.03 -0.04 0.13 0.00 0.00 175.17 174.96 2pq9 s MET 306 N 1.85 0.43 -0.20 4.34 -1.94 -0.74 -4.98 119.30 118.05 2pq9 s MET 306 Ca 0.06 -0.66 -0.28 0.00 -1.71 0.00 0.00 55.69 53.09 2pq9 s MET 306 Cb -0.17 0.16 0.00 0.00 2.01 0.00 0.00 34.83 36.84 2pq9 s MET 306 CO -0.22 -0.09 1.00 0.34 -0.01 0.00 0.00 175.02 176.04 2pq9 s ASP 307 N -1.73 7.10 -0.14 3.03 -1.08 -1.26 -0.84 116.67 121.74 2pq9 s ASP 307 Ca -0.11 1.36 0.15 0.00 -0.52 0.00 0.00 52.55 53.44 2pq9 s ASP 307 Cb -0.06 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.40 2pq9 s ASP 307 CO -0.02 -0.59 1.44 0.23 0.52 0.00 0.00 175.17 176.75 2pq9 n MET 308 N 5.92 3.17 0.17 4.34 2.81 -0.05 -4.71 117.12 128.77 2pq9 n MET 308 Ca 0.10 -2.72 0.16 0.00 -1.81 0.00 0.00 57.70 53.44 2pq9 n MET 308 Cb 0.47 -1.77 0.77 0.00 -0.71 0.00 0.00 33.22 31.98 2pq9 n MET 308 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2pq9 h ASN 309 N 2.24 0.00 1.24 7.83 -0.73 -1.69 -1.16 115.58 123.30 2pq9 h ASN 309 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2pq9 h ASN 309 Cb 1.35 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.94 2pq9 h ASN 309 CO 0.20 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.26 2pq9 n HIS 310 N -4.06 0.59 -3.12 0.67 1.44 -1.26 -3.63 115.22 105.85 2pq9 n HIS 310 Ca 0.02 0.18 -0.17 0.00 -2.01 0.00 0.00 57.72 55.74 2pq9 n HIS 310 Cb 0.33 -0.79 -0.01 0.00 0.12 0.00 0.00 29.99 29.64 2pq9 n HIS 310 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 2pq9 n ILE 311 N -1.99 -0.17 -0.27 0.61 -5.35 -0.45 -4.69 119.36 107.05 2pq9 n ILE 311 Ca 0.06 -4.06 0.07 0.00 -0.27 0.00 0.00 62.75 58.55 2pq9 n ILE 311 Cb 0.38 -0.05 0.31 0.00 -1.74 0.00 0.00 39.64 38.54 2pq9 n ILE 311 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2pq9 h PRO 312 N 3.06 0.83 0.03 6.28 0.13 -1.68 0.42 132.00 141.06 2pq9 h PRO 312 Ca 0.07 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2pq9 h PRO 312 Cb 0.99 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2pq9 h PRO 312 CO 0.44 0.55 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.30 2pq9 h ASP 313 N 0.85 -0.03 0.16 1.44 3.45 -1.94 -3.24 116.42 117.11 2pq9 h ASP 313 Ca 0.40 -0.66 -0.01 0.00 0.43 0.00 0.00 57.03 57.19 2pq9 h ASP 313 Cb 0.41 0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.18 2pq9 h ASP 313 CO -0.17 0.75 -0.03 0.00 -1.57 0.00 0.00 179.24 178.23 2pq9 h ALA 314 N -0.18 1.25 -0.09 3.45 0.00 -1.88 -1.59 119.26 120.21 2pq9 h ALA 314 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2pq9 h ALA 314 Cb 0.69 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2pq9 h ALA 314 CO 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 179.25 179.26 2pq9 h ALA 315 N 1.97 1.80 -0.51 0.00 0.00 -0.93 -1.00 119.26 120.59 2pq9 h ALA 315 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2pq9 h ALA 315 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2pq9 h ALA 315 CO 0.00 0.16 0.33 0.52 0.00 0.00 0.00 179.25 180.26 2pq9 h MET 316 N 0.12 0.68 -0.25 0.00 2.86 -1.36 -1.22 114.93 115.76 2pq9 h MET 316 Ca 0.03 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2pq9 h MET 316 Cb 0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2pq9 h MET 316 CO 0.00 0.46 -0.11 1.15 1.06 0.00 0.00 176.91 179.48 2pq9 h THR 317 N 0.69 1.21 -0.21 2.22 2.02 -1.31 -1.42 112.91 116.11 2pq9 h THR 317 Ca 0.19 -0.90 -0.09 0.00 0.77 0.00 0.00 66.41 66.37 2pq9 h THR 317 Cb -0.06 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2pq9 h THR 317 CO -0.04 0.29 -0.28 0.40 0.37 0.00 0.00 175.52 176.26 2pq9 h ILE 318 N 0.38 1.27 -0.99 3.11 1.08 -1.18 -1.79 117.51 119.39 2pq9 h ILE 318 Ca 0.08 -1.29 0.04 0.00 -0.39 0.00 0.00 64.86 63.30 2pq9 h ILE 318 Cb 0.42 1.41 -0.06 0.00 -3.07 0.00 0.00 36.82 35.53 2pq9 h ILE 318 CO 0.02 0.40 0.64 0.00 -0.69 0.00 0.00 178.15 178.53 2pq9 h ALA 319 N 1.35 1.32 0.00 1.87 0.00 -0.82 0.87 119.26 123.86 2pq9 h ALA 319 Ca 0.05 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2pq9 h ALA 319 Cb 0.68 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2pq9 h ALA 319 CO 0.05 0.52 -1.24 1.79 0.00 0.00 0.00 179.25 180.37 2pq9 h THR 320 N 1.23 1.37 0.00 0.00 1.35 -1.43 -3.26 112.91 112.16 2pq9 h THR 320 Ca 0.40 -3.11 -0.04 0.00 -0.55 0.00 0.00 66.41 63.11 2pq9 h THR 320 Cb 0.03 2.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 2pq9 h THR 320 CO -0.13 0.78 -0.19 0.00 -0.25 0.00 0.00 175.52 175.73 2pq9 h ALA 321 N 1.02 1.68 -0.07 6.62 0.00 -0.97 -1.84 119.26 125.70 2pq9 h ALA 321 Ca -0.11 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2pq9 h ALA 321 Cb 1.84 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2pq9 h ALA 321 CO 0.11 0.23 0.12 0.00 0.00 0.00 0.00 179.25 179.71 2pq9 h ALA 322 N 1.81 1.50 0.00 0.00 0.00 -0.87 -0.54 119.26 121.16 2pq9 h ALA 322 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pq9 h ALA 322 Cb 0.33 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2pq9 h ALA 322 CO 0.02 -0.15 -0.02 -0.07 0.00 0.00 0.00 179.25 179.03 2pq9 h LEU 323 N 0.00 0.00 -1.66 0.00 3.38 -1.49 -2.46 115.31 113.09 2pq9 h LEU 323 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pq9 h LEU 323 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2pq9 h LEU 323 CO -0.00 0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.04 2pq9 n PHE 324 N -3.37 0.01 -2.88 1.13 3.01 -0.21 -4.71 117.46 110.44 2pq9 n PHE 324 Ca -0.02 -0.01 -0.26 0.00 1.01 0.00 0.00 57.45 58.16 2pq9 n PHE 324 Cb 0.12 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.59 2pq9 n PHE 324 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pq9 s ALA 325 N -1.35 3.51 -0.34 4.37 0.00 -0.93 -4.84 121.76 122.18 2pq9 s ALA 325 Ca 0.19 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.28 2pq9 s ALA 325 Cb 0.14 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.84 2pq9 s ALA 325 CO 0.20 -0.26 0.66 0.21 0.00 0.00 0.00 175.76 176.57 2pq9 s LYS 326 N -4.61 3.74 0.00 0.00 2.20 -0.12 -4.80 119.74 116.15 2pq9 s LYS 326 Ca 0.45 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 2pq9 s LYS 326 Cb -0.10 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2pq9 s LYS 326 CO 0.42 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 2pq9 n GLY 327 N 4.59 -2.45 3.65 5.54 0.00 -1.26 -1.11 105.19 114.14 2pq9 n GLY 327 Ca -0.01 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 2pq9 n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pq9 s THR 328 N -0.72 5.19 -0.11 2.61 2.01 -1.26 -4.44 115.64 118.93 2pq9 s THR 328 Ca 0.00 0.66 -0.10 0.00 0.31 0.00 0.00 61.69 62.55 2pq9 s THR 328 Cb 0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2pq9 s THR 328 CO 0.00 0.23 0.23 -0.89 -0.69 0.00 0.00 174.62 173.49 2pq9 s THR 329 N 1.52 5.35 -0.10 -0.82 2.01 -0.38 -4.41 115.64 118.81 2pq9 s THR 329 Ca 0.18 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.60 2pq9 s THR 329 Cb -0.15 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.86 2pq9 s THR 329 CO 0.08 0.55 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.55 2pq9 s THR 330 N -0.63 1.31 -0.22 -0.82 2.01 -0.08 -0.08 115.64 117.13 2pq9 s THR 330 Ca 0.16 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 2pq9 s THR 330 Cb -0.13 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 2pq9 s THR 330 CO 0.05 0.41 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.60 2pq9 s LEU 331 N 1.11 2.98 0.33 4.42 1.43 -0.29 -1.80 118.68 126.85 2pq9 s LEU 331 Ca -0.05 -0.35 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 2pq9 s LEU 331 Cb -0.14 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2pq9 s LEU 331 CO -0.03 -0.01 0.04 -0.13 0.23 0.00 0.00 176.35 176.45 2pq9 s ARG 332 N 1.41 2.17 -1.25 1.70 0.52 -0.02 -1.25 118.95 122.23 2pq9 s ARG 332 Ca 0.05 -1.65 -0.01 0.00 -0.52 0.00 0.00 55.73 53.60 2pq9 s ARG 332 Cb -0.14 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.31 2pq9 s ARG 332 CO -0.02 0.17 0.95 -1.71 0.02 0.00 0.00 175.30 174.71 2pq9 n ASN 333 N -0.98 -2.35 -1.87 0.23 5.15 -0.85 -0.87 115.26 113.71 2pq9 n ASN 333 Ca -0.04 -0.66 -0.11 0.00 -0.60 0.00 0.00 54.58 53.16 2pq9 n ASN 333 Cb 0.61 -4.83 0.06 0.00 -0.53 0.00 0.00 39.78 35.10 2pq9 n ASN 333 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2pq9 n ILE 334 N -4.27 2.00 -0.24 -1.44 -5.35 -0.54 -3.57 119.36 105.96 2pq9 n ILE 334 Ca -0.25 -3.50 0.04 0.00 -0.27 0.00 0.00 62.75 58.77 2pq9 n ILE 334 Cb 0.66 -0.28 0.17 0.00 -1.74 0.00 0.00 39.64 38.44 2pq9 n ILE 334 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 2pq9 h TYR 335 N 1.94 0.30 0.00 4.28 3.20 -1.85 -1.99 116.97 122.85 2pq9 h TYR 335 Ca 0.14 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2pq9 h TYR 335 Cb 1.41 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.65 2pq9 h TYR 335 CO 0.71 -0.05 0.00 0.27 -1.64 0.00 0.00 178.16 177.45 2pq9 n ASN 336 N -5.12 0.00 0.22 -2.11 0.23 -1.26 -0.70 115.26 106.53 2pq9 n ASN 336 Ca 0.13 -0.27 0.11 0.00 -0.53 0.00 0.00 54.58 54.02 2pq9 n ASN 336 Cb 0.42 -0.01 0.68 0.00 -2.08 0.00 0.00 39.78 38.79 2pq9 n ASN 336 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 2pq9 h TRP 337 N 0.00 0.00 0.00 -2.53 4.06 -1.74 -2.13 115.95 113.62 2pq9 h TRP 337 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2pq9 h TRP 337 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2pq9 h TRP 337 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2pq9 h ARG 338 N 0.00 0.00 -0.05 0.49 3.08 -1.13 -0.01 114.38 116.77 2pq9 h ARG 338 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2pq9 h ARG 338 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2pq9 h ARG 338 CO -0.00 0.00 -0.27 1.33 -1.07 0.00 0.00 179.97 179.96 2pq9 n VAL 339 N -2.61 2.14 0.00 2.04 0.24 -0.80 -4.05 118.33 115.29 2pq9 n VAL 339 Ca 0.01 -2.81 0.00 0.00 -2.04 0.00 0.00 64.34 59.50 2pq9 n VAL 339 Cb 0.24 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2pq9 n VAL 339 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2pq9 n LYS 340 N -1.20 1.92 0.33 7.34 5.02 -1.23 -4.64 118.16 125.70 2pq9 n LYS 340 Ca 0.19 0.00 0.22 0.00 -2.02 0.00 0.00 58.31 56.70 2pq9 n LYS 340 Cb 0.72 0.00 1.17 0.00 -0.02 0.00 0.00 35.03 36.89 2pq9 n LYS 340 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2pq9 h GLU 341 N 0.00 0.00 -2.82 1.97 4.39 -1.95 -3.44 114.58 112.73 2pq9 h GLU 341 Ca 0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2pq9 h GLU 341 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2pq9 h GLU 341 CO 0.00 0.00 0.38 -0.08 -1.16 0.00 0.00 179.01 178.15 2pq9 s THR 342 N -4.20 0.00 -0.68 1.13 -1.32 -1.26 -4.69 115.64 104.62 2pq9 s THR 342 Ca -0.05 -0.85 -0.27 0.00 -1.21 0.00 0.00 61.69 59.31 2pq9 s THR 342 Cb 0.13 -2.79 0.03 0.00 -1.51 0.00 0.00 72.50 68.36 2pq9 s THR 342 CO 0.42 0.00 1.22 -0.62 -2.21 0.00 0.00 174.62 173.43 2pq9 s ASP 343 N -3.16 6.24 0.47 8.08 3.68 -1.26 -4.32 116.67 126.40 2pq9 s ASP 343 Ca 0.17 -0.33 0.26 0.00 2.13 0.00 0.00 52.55 54.78 2pq9 s ASP 343 Cb -0.04 -2.54 1.00 0.00 -1.45 0.00 0.00 42.92 39.89 2pq9 s ASP 343 CO 0.09 -1.69 1.86 0.03 0.13 0.00 0.00 175.17 175.58 2pq9 h ARG 344 N 9.84 0.00 -0.17 4.34 3.08 -1.24 -1.15 114.38 129.08 2pq9 h ARG 344 Ca -0.27 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.62 2pq9 h ARG 344 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2pq9 h ARG 344 CO 1.24 0.16 -0.53 -0.07 -1.07 0.00 0.00 179.97 179.70 2pq9 h LEU 345 N 0.00 0.76 -0.07 3.04 3.38 -1.89 0.05 115.31 120.58 2pq9 h LEU 345 Ca -0.00 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 2pq9 h LEU 345 Cb 0.70 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2pq9 h LEU 345 CO 0.02 1.22 0.01 0.15 0.09 0.00 0.00 178.44 179.94 2pq9 h PHE 346 N 0.35 0.12 -0.01 1.13 3.57 -1.90 -2.27 116.94 117.92 2pq9 h PHE 346 Ca -0.02 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2pq9 h PHE 346 Cb 1.15 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 2pq9 h PHE 346 CO 0.09 0.32 0.01 0.00 -2.23 0.00 0.00 178.31 176.50 2pq9 h ALA 347 N 0.79 0.02 -0.41 2.41 0.00 -1.24 -1.40 119.26 119.42 2pq9 h ALA 347 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pq9 h ALA 347 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2pq9 h ALA 347 CO 0.00 -0.41 0.27 1.98 0.00 0.00 0.00 179.25 181.09 2pq9 h MET 348 N -0.12 0.55 -0.60 0.00 1.85 -1.04 -0.98 114.93 114.58 2pq9 h MET 348 Ca 0.00 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 2pq9 h MET 348 Cb 0.14 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.03 2pq9 h MET 348 CO -0.00 0.38 0.28 0.00 -0.40 0.00 0.00 176.91 177.17 2pq9 h ALA 349 N 1.14 0.78 0.07 0.39 0.00 -1.35 -0.75 119.26 119.54 2pq9 h ALA 349 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pq9 h ALA 349 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2pq9 h ALA 349 CO -0.03 0.35 -0.03 1.15 0.00 0.00 0.00 179.25 180.69 2pq9 h THR 350 N 0.83 0.94 -0.12 0.00 2.02 -0.93 -2.27 112.91 113.38 2pq9 h THR 350 Ca 0.21 -0.02 -0.16 0.00 0.77 0.00 0.00 66.41 67.21 2pq9 h THR 350 Cb 0.13 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2pq9 h THR 350 CO -0.02 0.00 -0.60 -0.33 0.37 0.00 0.00 175.52 174.94 2pq9 h GLU 351 N -0.10 0.39 -0.56 6.66 4.39 -1.12 -2.98 114.58 121.25 2pq9 h GLU 351 Ca -0.01 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 2pq9 h GLU 351 Cb 0.08 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2pq9 h GLU 351 CO 0.02 0.87 0.18 -0.07 -1.16 0.00 0.00 179.01 178.84 2pq9 h LEU 352 N 0.29 0.78 -1.36 1.33 3.38 -1.05 -2.04 115.31 116.63 2pq9 h LEU 352 Ca -0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2pq9 h LEU 352 Cb 1.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2pq9 h LEU 352 CO 0.10 0.73 -0.29 0.03 0.09 0.00 0.00 178.44 179.11 2pq9 h ARG 353 N 0.82 0.00 0.00 1.13 3.08 -1.28 -2.68 114.38 115.46 2pq9 h ARG 353 Ca 0.19 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 2pq9 h ARG 353 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2pq9 h ARG 353 CO -0.01 0.29 -0.26 0.87 -1.07 0.00 0.00 179.97 179.79 2pq9 h LYS 354 N 0.00 0.00 -0.46 0.04 1.57 -1.22 -1.93 116.57 114.57 2pq9 h LYS 354 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pq9 h LYS 354 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2pq9 h LYS 354 CO 0.04 0.26 0.00 1.33 -0.57 0.00 0.00 179.45 180.50 2pq9 n VAL 355 N -3.83 0.60 0.00 0.50 0.24 -1.04 -4.66 118.33 110.14 2pq9 n VAL 355 Ca -0.02 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 2pq9 n VAL 355 Cb 0.35 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 2pq9 n VAL 355 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pq9 n GLY 356 N 1.41 1.06 3.81 7.63 0.00 -0.73 -1.96 105.19 116.41 2pq9 n GLY 356 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2pq9 n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pq9 s ALA 357 N -2.00 2.80 -0.21 4.61 0.00 -1.04 -4.19 121.76 121.73 2pq9 s ALA 357 Ca 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 2pq9 s ALA 357 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2pq9 s ALA 357 CO 0.00 -0.66 0.25 -2.00 0.00 0.00 0.00 175.76 173.34 2pq9 s GLU 358 N -3.93 4.15 -0.03 0.00 2.12 -0.32 -4.22 118.70 116.48 2pq9 s GLU 358 Ca 0.64 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.91 2pq9 s GLU 358 Cb -0.15 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.74 2pq9 s GLU 358 CO 0.33 0.09 -0.05 0.08 -0.54 0.00 0.00 175.26 175.17 2pq9 s VAL 359 N 0.94 0.55 -0.29 3.70 1.01 -1.26 -0.90 120.40 124.15 2pq9 s VAL 359 Ca 0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 2pq9 s VAL 359 Cb -0.13 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 2pq9 s VAL 359 CO 0.04 0.20 0.15 -0.70 0.00 0.00 0.00 175.10 174.80 2pq9 s GLU 360 N 0.54 3.60 -0.65 2.72 2.12 0.04 -4.98 118.70 122.10 2pq9 s GLU 360 Ca -0.07 -0.54 -0.20 0.00 0.36 0.00 0.00 54.97 54.52 2pq9 s GLU 360 Cb -0.11 -3.55 0.10 0.00 0.26 0.00 0.00 34.13 30.83 2pq9 s GLU 360 CO 0.00 -0.29 0.81 -2.00 -0.54 0.00 0.00 175.26 173.24 2pq9 s GLU 361 N 1.67 3.12 0.75 4.30 2.12 -1.26 -1.66 118.70 127.73 2pq9 s GLU 361 Ca 0.06 -1.25 -0.11 0.00 0.36 0.00 0.00 54.97 54.03 2pq9 s GLU 361 Cb -0.16 -4.31 0.05 0.00 0.26 0.00 0.00 34.13 29.96 2pq9 s GLU 361 CO 0.07 -1.63 1.11 0.20 -0.54 0.00 0.00 175.26 174.47 2pq9 s GLY 362 N 3.60 1.61 0.30 -1.50 0.00 -0.30 -4.97 107.32 106.06 2pq9 s GLY 362 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2pq9 s GLY 362 CO 0.06 -0.15 1.86 0.84 0.00 0.00 0.00 173.10 175.71 2pq9 h HIS 363 N -0.80 0.80 0.00 1.90 2.76 -2.02 -3.32 115.15 114.47 2pq9 h HIS 363 Ca -0.45 -0.06 -0.15 0.00 -2.20 0.00 0.00 60.37 57.51 2pq9 h HIS 363 Cb 1.30 -0.24 -0.32 0.00 1.55 0.00 0.00 27.41 29.70 2pq9 h HIS 363 CO 0.39 0.66 -0.93 -0.40 -1.30 0.00 0.00 177.93 176.35 2pq9 n ASP 364 N -4.30 0.96 -3.73 3.26 3.85 -1.26 -4.73 116.55 110.59 2pq9 n ASP 364 Ca 0.04 -2.15 -0.09 0.00 -0.71 0.00 0.00 54.79 51.88 2pq9 n ASP 364 Cb 0.20 -0.31 -0.03 0.00 -1.35 0.00 0.00 41.12 39.63 2pq9 n ASP 364 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 2pq9 s TYR 365 N -0.26 -0.19 -0.01 2.11 -0.85 -1.25 -1.47 117.35 115.44 2pq9 s TYR 365 Ca 0.31 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.70 2pq9 s TYR 365 Cb 0.35 0.51 0.01 0.00 0.38 0.00 0.00 41.96 43.20 2pq9 s TYR 365 CO -0.14 -1.00 -0.01 -1.50 -1.52 0.00 0.00 175.55 171.37 2pq9 s ILE 366 N -3.87 0.12 -0.13 -3.49 2.07 -0.38 -1.15 121.20 114.36 2pq9 s ILE 366 Ca 0.09 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.34 2pq9 s ILE 366 Cb -0.02 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.44 2pq9 s ILE 366 CO -0.01 0.06 -0.22 -0.60 -1.91 0.00 0.00 174.94 172.25 2pq9 s ARG 367 N 0.22 3.04 -0.14 3.50 3.52 -0.67 -1.14 118.95 127.28 2pq9 s ARG 367 Ca -0.02 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.73 2pq9 s ARG 367 Cb -0.04 -2.41 0.02 0.00 -1.56 0.00 0.00 34.95 30.97 2pq9 s ARG 367 CO -0.01 0.04 -0.14 0.42 -0.81 0.00 0.00 175.30 174.80 2pq9 s ILE 368 N 0.69 1.52 -0.29 4.11 1.01 0.88 -0.78 121.20 128.34 2pq9 s ILE 368 Ca -0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 2pq9 s ILE 368 Cb -0.16 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2pq9 s ILE 368 CO 0.01 0.45 0.03 -0.89 0.00 0.00 0.00 174.94 174.53 2pq9 s THR 369 N 1.40 3.44 0.62 2.92 2.01 -0.08 -1.25 115.64 124.71 2pq9 s THR 369 Ca 0.03 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 60.90 2pq9 s THR 369 Cb -0.13 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 2pq9 s THR 369 CO -0.09 0.06 1.13 -2.16 -0.69 0.00 0.00 174.62 172.87 2pq9 s PRO 370 N 1.39 2.95 0.73 4.92 0.04 -1.26 -1.17 135.00 142.60 2pq9 s PRO 370 Ca 0.00 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 2pq9 s PRO 370 Cb -0.18 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.45 2pq9 s PRO 370 CO -0.00 -1.15 1.08 -1.25 0.04 0.00 0.00 177.00 175.71 2pq9 s PRO 371 N -3.78 2.35 0.21 0.56 0.04 -1.26 -4.83 135.00 128.29 2pq9 s PRO 371 Ca 0.70 0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.72 2pq9 s PRO 371 Cb -0.23 -2.07 0.15 0.00 0.04 0.00 0.00 34.50 32.40 2pq9 s PRO 371 CO 0.36 -1.26 1.82 0.93 0.04 0.00 0.00 177.00 178.90 2pq9 h GLU 372 N -0.73 1.06 -3.45 4.56 4.39 -1.96 -3.43 114.58 115.02 2pq9 h GLU 372 Ca -0.45 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 58.96 2pq9 h GLU 372 Cb 1.30 -0.21 -0.23 0.00 -0.10 0.00 0.00 28.75 29.51 2pq9 h GLU 372 CO 0.63 0.79 -0.52 -1.59 -1.16 0.00 0.00 179.01 177.17 2pq9 s LYS 373 N -5.83 0.34 0.56 2.33 -2.85 -1.26 -5.16 119.74 107.87 2pq9 s LYS 373 Ca -0.13 -0.12 -0.14 0.00 -1.00 0.00 0.00 55.97 54.57 2pq9 s LYS 373 Cb 0.15 0.15 -0.06 0.00 -2.06 0.00 0.00 37.83 36.01 2pq9 s LYS 373 CO 0.80 -0.07 1.01 -0.51 0.10 0.00 0.00 175.35 176.68 2pq9 s LEU 374 N -0.71 3.47 0.33 2.77 1.43 -1.26 -4.90 118.68 119.80 2pq9 s LEU 374 Ca -0.08 1.54 0.08 0.00 -1.03 0.00 0.00 54.13 54.64 2pq9 s LEU 374 Cb -0.05 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 2pq9 s LEU 374 CO 0.01 -0.75 -0.08 0.54 0.23 0.00 0.00 176.35 176.30 2pq9 s ASN 375 N -3.44 3.41 0.43 2.29 4.22 -0.83 -4.85 114.94 116.17 2pq9 s ASN 375 Ca 0.58 -1.21 -0.24 0.00 -2.14 0.00 0.00 52.86 49.85 2pq9 s ASN 375 Cb -0.11 -0.29 -0.08 0.00 1.28 0.00 0.00 41.25 42.05 2pq9 s ASN 375 CO 0.40 -0.27 1.18 0.12 -2.04 0.00 0.00 177.10 176.49 2pq9 s PHE 376 N -2.76 2.95 0.01 1.54 5.36 -1.26 -4.61 117.98 119.21 2pq9 s PHE 376 Ca 0.32 1.53 -0.16 0.00 -0.96 0.00 0.00 56.93 57.66 2pq9 s PHE 376 Cb 0.03 -3.41 0.03 0.00 -0.34 0.00 0.00 43.02 39.33 2pq9 s PHE 376 CO 0.15 -1.48 0.35 0.00 -1.46 0.00 0.00 175.22 172.78 2pq9 s ALA 377 N -1.47 -0.85 -0.42 11.12 0.00 -1.26 -4.83 121.76 124.05 2pq9 s ALA 377 Ca 0.60 0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 2pq9 s ALA 377 Cb -0.30 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2pq9 s ALA 377 CO 0.37 -0.34 0.39 -2.00 0.00 0.00 0.00 175.76 174.18 2pq9 s GLU 378 N -1.88 3.06 -0.17 0.00 2.12 -1.26 -2.38 118.70 118.19 2pq9 s GLU 378 Ca -0.09 -0.84 -0.26 0.00 0.36 0.00 0.00 54.97 54.13 2pq9 s GLU 378 Cb -0.03 -3.97 -0.01 0.00 0.26 0.00 0.00 34.13 30.38 2pq9 s GLU 378 CO 0.01 -0.82 0.87 0.42 -0.54 0.00 0.00 175.26 175.21 2pq9 s ILE 379 N 1.99 4.85 0.21 -3.70 -1.09 0.11 -4.95 121.20 118.61 2pq9 s ILE 379 Ca 0.10 1.72 -0.30 0.00 -2.23 0.00 0.00 60.65 59.94 2pq9 s ILE 379 Cb -0.18 -4.17 -0.08 0.00 -1.58 0.00 0.00 42.46 36.45 2pq9 s ILE 379 CO 0.12 -0.00 0.96 0.00 -1.23 0.00 0.00 174.94 174.79 2pq9 s ALA 380 N 2.28 3.32 -1.03 9.38 0.00 -1.26 -1.49 121.76 132.96 2pq9 s ALA 380 Ca 0.40 0.64 0.11 0.00 0.00 0.00 0.00 51.96 53.10 2pq9 s ALA 380 Cb -0.17 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2pq9 s ALA 380 CO 0.12 0.12 0.68 0.25 0.00 0.00 0.00 175.76 176.93 2pq9 n THR 381 N 1.79 0.00 -2.51 0.00 -2.24 -1.26 -4.93 114.28 105.13 2pq9 n THR 381 Ca -0.01 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.21 2pq9 n THR 381 Cb 0.47 1.14 -0.00 0.00 -2.10 0.00 0.00 70.33 69.84 2pq9 n THR 381 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pq9 n TYR 382 N -0.13 -1.34 -2.21 4.78 4.01 -1.26 -0.65 117.16 120.37 2pq9 n TYR 382 Ca 0.05 0.05 -0.16 0.00 -0.16 0.00 0.00 57.90 57.68 2pq9 n TYR 382 Cb 0.23 -3.23 -0.02 0.00 -0.31 0.00 0.00 39.34 36.01 2pq9 n TYR 382 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2pq9 n ASN 383 N -1.93 -4.65 -4.18 7.72 3.02 -1.26 -4.67 115.26 109.31 2pq9 n ASN 383 Ca -0.17 0.17 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 2pq9 n ASN 383 Cb 0.63 -3.98 -0.14 0.00 -0.61 0.00 0.00 39.78 35.69 2pq9 n ASN 383 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pq9 s ASP 384 N -2.11 4.88 0.35 6.41 -1.08 0.18 -4.95 116.67 120.35 2pq9 s ASP 384 Ca 0.00 -1.25 0.14 0.00 -0.52 0.00 0.00 52.55 50.92 2pq9 s ASP 384 Cb 0.00 -1.71 1.01 0.00 -1.46 0.00 0.00 42.92 40.75 2pq9 s ASP 384 CO 0.00 -0.26 1.72 1.12 0.52 0.00 0.00 175.17 178.27 2pq9 h HIS 385 N 8.00 0.89 0.00 -5.34 2.07 -1.84 -0.40 115.15 118.53 2pq9 h HIS 385 Ca -0.22 0.03 -0.08 0.00 -2.85 0.00 0.00 60.37 57.26 2pq9 h HIS 385 Cb 1.06 -0.25 -0.01 0.00 2.57 0.00 0.00 27.41 30.78 2pq9 h HIS 385 CO 0.61 0.00 -0.36 0.00 -3.07 0.00 0.00 177.93 175.11 2pq9 h ARG 386 N 0.46 0.00 -0.44 5.12 3.08 -1.93 -2.31 114.38 118.37 2pq9 h ARG 386 Ca 0.66 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.65 2pq9 h ARG 386 Cb 1.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.49 2pq9 h ARG 386 CO -0.46 0.36 0.04 0.52 -1.07 0.00 0.00 179.97 179.36 2pq9 h MET 387 N 0.00 0.74 -0.50 0.04 2.86 -1.33 0.28 114.93 117.02 2pq9 h MET 387 Ca -0.00 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 2pq9 h MET 387 Cb 1.02 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 2pq9 h MET 387 CO 0.05 0.79 0.19 0.00 1.06 0.00 0.00 176.91 179.00 2pq9 h ALA 388 N 0.92 0.65 -0.21 6.32 0.00 -1.44 -1.89 119.26 123.62 2pq9 h ALA 388 Ca 0.13 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2pq9 h ALA 388 Cb 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pq9 h ALA 388 CO 0.02 0.27 -0.63 0.52 0.00 0.00 0.00 179.25 179.43 2pq9 h MET 389 N 0.67 0.76 -0.48 0.00 2.07 -1.33 -2.48 114.93 114.14 2pq9 h MET 389 Ca 0.17 -0.53 -0.04 0.00 -2.07 0.00 0.00 59.70 57.23 2pq9 h MET 389 Cb 0.21 0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 30.00 2pq9 h MET 389 CO -0.01 1.15 0.16 0.00 1.07 0.00 0.00 176.91 179.28 2pq9 n PHE 391 N -4.53 0.52 0.28 0.00 3.72 -0.71 -2.49 117.46 114.24 2pq9 n PHE 391 Ca 0.01 0.16 0.14 0.00 -0.05 0.00 0.00 57.45 57.71 2pq9 n PHE 391 Cb 0.18 -0.76 0.84 0.00 -0.94 0.00 0.00 39.48 38.80 2pq9 n PHE 391 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2pq9 h SER 392 N 0.00 0.00 0.60 4.37 4.64 -1.28 -1.89 113.55 119.99 2pq9 h SER 392 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pq9 h SER 392 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2pq9 h SER 392 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2pq9 n LEU 393 N -4.01 0.61 0.26 5.97 4.77 -1.04 -2.39 117.00 121.17 2pq9 n LEU 393 Ca -0.02 0.67 0.10 0.00 -0.03 0.00 0.00 56.01 56.72 2pq9 n LEU 393 Cb 0.11 -0.61 0.68 0.00 -2.33 0.00 0.00 43.42 41.28 2pq9 n LEU 393 CO 0.29 -0.60 1.01 0.58 -1.33 0.00 0.00 177.39 177.34 2pq9 h VAL 394 N 0.00 0.84 0.00 4.08 2.07 -1.55 -1.56 116.25 120.13 2pq9 h VAL 394 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2pq9 h VAL 394 Cb 0.30 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2pq9 h VAL 394 CO 0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 2pq9 n ALA 395 N -2.43 2.14 -1.29 1.67 0.00 -1.00 -3.35 120.51 116.24 2pq9 n ALA 395 Ca -0.03 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 2pq9 n ALA 395 Cb 0.16 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 2pq9 n ALA 395 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pq9 n LEU 396 N -1.12 6.25 0.00 0.00 4.77 -0.59 -0.29 117.00 126.02 2pq9 n LEU 396 Ca 0.12 -3.76 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 2pq9 n LEU 396 Cb 0.10 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 2pq9 n LEU 396 CO 0.12 1.63 0.00 -1.54 -1.33 0.00 0.00 177.39 176.27 2pq9 n SER 397 N 1.06 0.00 -0.21 -1.43 3.41 -1.21 -4.90 113.62 110.34 2pq9 n SER 397 Ca 0.44 -0.42 0.14 0.00 -0.26 0.00 0.00 58.87 58.76 2pq9 n SER 397 Cb 0.61 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.12 2pq9 n SER 397 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pq9 n ASP 398 N -0.82 0.78 -4.45 4.04 8.00 -1.26 -4.32 116.55 118.51 2pq9 n ASP 398 Ca 0.00 -0.86 -0.31 0.00 0.71 0.00 0.00 54.79 54.33 2pq9 n ASP 398 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.98 2pq9 n ASP 398 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2pq9 s THR 399 N -2.36 2.75 0.90 -3.53 -1.32 -1.26 -4.88 115.64 105.94 2pq9 s THR 399 Ca 0.31 -1.17 -0.13 0.00 -1.21 0.00 0.00 61.69 59.49 2pq9 s THR 399 Cb 0.20 -2.14 0.13 0.00 -1.51 0.00 0.00 72.50 69.18 2pq9 s THR 399 CO 0.45 0.36 1.16 -2.16 -2.21 0.00 0.00 174.62 172.22 2pq9 s PRO 400 N -1.37 1.23 -0.04 7.08 0.04 -1.26 -4.41 135.00 136.26 2pq9 s PRO 400 Ca 0.14 0.19 -0.07 0.00 0.04 0.00 0.00 61.00 61.31 2pq9 s PRO 400 Cb -0.10 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2pq9 s PRO 400 CO 0.05 -2.12 0.17 0.54 0.04 0.00 0.00 177.00 175.68 2pq9 s VAL 401 N -3.38 0.03 -0.16 -0.36 0.11 -0.92 -4.54 120.40 111.18 2pq9 s VAL 401 Ca 0.64 -0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 59.42 2pq9 s VAL 401 Cb -0.13 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 2pq9 s VAL 401 CO 0.52 -0.13 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.20 2pq9 s THR 402 N -0.43 3.51 -0.25 5.04 2.01 -1.00 -0.66 115.64 123.86 2pq9 s THR 402 Ca -0.05 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 2pq9 s THR 402 Cb -0.03 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 2pq9 s THR 402 CO 0.01 0.48 0.06 -0.63 -0.69 0.00 0.00 174.62 173.85 2pq9 s ILE 403 N 0.62 4.14 0.41 1.82 -1.09 0.83 0.05 121.20 127.97 2pq9 s ILE 403 Ca -0.04 -0.28 -0.23 0.00 -2.23 0.00 0.00 60.65 57.87 2pq9 s ILE 403 Cb -0.15 -2.95 -0.10 0.00 -1.58 0.00 0.00 42.46 37.68 2pq9 s ILE 403 CO 0.03 0.32 0.98 -0.76 -1.23 0.00 0.00 174.94 174.28 2pq9 s LEU 404 N 1.58 4.06 -1.24 2.97 1.43 -0.55 -1.20 118.68 125.73 2pq9 s LEU 404 Ca 0.06 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.86 2pq9 s LEU 404 Cb -0.15 -4.34 -0.00 0.00 0.03 0.00 0.00 46.19 41.72 2pq9 s LEU 404 CO 0.02 -0.39 0.65 -0.67 0.23 0.00 0.00 176.35 176.20 2pq9 n ASP 405 N -0.28 -3.27 0.21 2.29 4.64 0.38 -4.45 116.55 116.06 2pq9 n ASP 405 Ca 0.06 -1.02 0.17 0.00 -1.38 0.00 0.00 54.79 52.62 2pq9 n ASP 405 Cb 0.52 -3.21 0.83 0.00 -1.04 0.00 0.00 41.12 38.22 2pq9 n ASP 405 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2pq9 h PRO 406 N -1.92 0.00 0.00 -0.67 0.13 -1.79 -1.82 132.00 125.93 2pq9 h PRO 406 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2pq9 h PRO 406 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2pq9 h PRO 406 CO 0.54 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.94 2pq9 n LYS 407 N -3.85 0.10 0.07 0.86 4.76 -1.26 -2.54 118.16 116.30 2pq9 n LYS 407 Ca 0.01 0.22 0.09 0.00 -2.87 0.00 0.00 58.31 55.76 2pq9 n LYS 407 Cb 0.30 -1.50 0.38 0.00 -1.84 0.00 0.00 35.03 32.37 2pq9 n LYS 407 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pq9 h THR 409 N 0.00 0.00 0.00 0.00 1.35 -1.74 -3.08 112.91 109.44 2pq9 h THR 409 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2pq9 h THR 409 Cb 0.23 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2pq9 h THR 409 CO 0.00 0.00 0.03 0.00 -0.25 0.00 0.00 175.52 175.30 2pq9 n ALA 410 N -1.92 1.00 -0.29 6.62 0.00 -0.40 -0.47 120.51 125.05 2pq9 n ALA 410 Ca -0.00 0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.66 2pq9 n ALA 410 Cb 0.18 -1.22 0.20 0.00 0.00 0.00 0.00 19.45 18.61 2pq9 n ALA 410 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2pq9 h LYS 411 N 0.00 0.61 0.00 0.00 3.64 -1.79 0.39 116.57 119.42 2pq9 h LYS 411 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2pq9 h LYS 411 Cb 0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2pq9 h LYS 411 CO 0.00 0.40 0.00 0.25 -2.27 0.00 0.00 179.45 177.83 2pq9 n THR 412 N -4.86 0.00 -2.80 1.00 -2.24 -0.96 -2.51 114.28 101.91 2pq9 n THR 412 Ca 0.16 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 2pq9 n THR 412 Cb 0.39 1.06 0.02 0.00 -2.10 0.00 0.00 70.33 69.70 2pq9 n THR 412 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2pq9 n PHE 413 N -0.35 -3.40 -0.36 4.78 -0.00 0.38 -4.88 117.46 113.63 2pq9 n PHE 413 Ca 0.00 -1.68 0.09 0.00 -0.00 0.00 0.00 57.45 55.86 2pq9 n PHE 413 Cb 0.01 1.39 0.26 0.00 -0.00 0.00 0.00 39.48 41.15 2pq9 n PHE 413 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2pq9 h PRO 414 N 4.64 0.91 -0.77 -7.13 0.11 -1.77 -2.28 132.00 125.70 2pq9 h PRO 414 Ca -0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2pq9 h PRO 414 Cb 1.06 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2pq9 h PRO 414 CO 0.16 0.60 0.04 -0.25 -0.21 0.00 0.00 178.00 178.33 2pq9 n ASP 415 N -4.66 3.84 -0.12 -2.05 10.43 -1.26 -4.66 116.55 118.08 2pq9 n ASP 415 Ca 0.20 -2.60 -0.06 0.00 2.57 0.00 0.00 54.79 54.90 2pq9 n ASP 415 Cb 0.42 -0.62 -0.00 0.00 1.84 0.00 0.00 41.12 42.75 2pq9 n ASP 415 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 2pq9 h TYR 416 N 2.25 -0.71 -0.02 1.24 3.20 -1.78 -1.86 116.97 119.29 2pq9 h TYR 416 Ca 0.04 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 2pq9 h TYR 416 Cb 1.47 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 40.10 2pq9 h TYR 416 CO 0.69 -0.34 -0.37 0.74 -1.64 0.00 0.00 178.16 177.25 2pq9 h PHE 417 N -0.20 0.05 -0.51 -3.82 0.04 -1.87 -0.57 116.94 110.06 2pq9 h PHE 417 Ca 0.19 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.84 2pq9 h PHE 417 Cb 0.49 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 2pq9 h PHE 417 CO -0.49 0.40 -0.09 1.49 -0.60 0.00 0.00 178.31 179.02 2pq9 h GLU 418 N 0.04 0.96 -0.49 1.51 4.22 -1.81 -1.18 114.58 117.84 2pq9 h GLU 418 Ca 0.00 -0.35 -0.13 0.00 0.08 0.00 0.00 59.36 58.96 2pq9 h GLU 418 Cb 0.67 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2pq9 h GLU 418 CO 0.05 1.02 -0.19 1.96 -2.18 0.00 0.00 179.01 179.67 2pq9 h GLN 419 N 0.83 0.98 -0.70 1.92 1.08 -0.73 -1.20 115.11 117.28 2pq9 h GLN 419 Ca 0.13 -0.40 -0.06 0.00 -1.45 0.00 0.00 58.65 56.87 2pq9 h GLN 419 Cb 0.65 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.00 2pq9 h GLN 419 CO 0.04 1.07 0.21 1.25 -0.95 0.00 0.00 178.83 180.45 2pq9 h LEU 420 N 0.85 1.03 -1.30 1.46 5.85 -1.00 -2.22 115.31 119.98 2pq9 h LEU 420 Ca 0.12 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 2pq9 h LEU 420 Cb 0.76 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2pq9 h LEU 420 CO 0.06 0.97 -0.22 0.00 -0.34 0.00 0.00 178.44 178.91 2pq9 h ALA 421 N 1.17 1.42 -0.40 1.25 0.00 -0.93 -2.43 119.26 119.34 2pq9 h ALA 421 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2pq9 h ALA 421 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2pq9 h ALA 421 CO -0.01 0.41 0.20 -0.09 0.00 0.00 0.00 179.25 179.76 2pq9 h ARG 422 N 0.18 0.55 -0.02 0.00 2.43 -0.58 -2.34 114.38 114.61 2pq9 h ARG 422 Ca 0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2pq9 h ARG 422 Cb 0.50 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2pq9 h ARG 422 CO 0.03 0.43 -0.17 0.44 -1.51 0.00 0.00 179.97 179.19 2pq9 n ILE 423 N -4.41 0.00 -2.81 1.20 -5.35 -1.05 -4.90 119.36 102.04 2pq9 n ILE 423 Ca 0.03 -0.35 -0.42 0.00 -0.27 0.00 0.00 62.75 61.75 2pq9 n ILE 423 Cb 0.11 1.14 -0.03 0.00 -1.74 0.00 0.00 39.64 39.11 2pq9 n ILE 423 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2pq9 s SER 424 N -2.19 7.13 0.14 7.28 0.01 -0.88 -1.32 113.70 123.87 2pq9 s SER 424 Ca 0.27 1.38 0.11 0.00 1.31 0.00 0.00 55.95 59.02 2pq9 s SER 424 Cb 0.20 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 2pq9 s SER 424 CO 0.41 -0.36 -0.26 -1.10 0.41 0.00 0.00 173.24 172.34 2pq9 s GLN 425 N 1.75 1.39 0.24 12.44 -1.52 0.12 -4.97 119.66 129.12 2pq9 s GLN 425 Ca 0.44 -1.36 0.23 0.00 -1.95 0.00 0.00 55.36 52.72 2pq9 s GLN 425 Cb -0.18 -1.85 0.09 0.00 -0.22 0.00 0.00 33.01 30.85 2pq9 s GLN 425 CO 0.17 0.43 1.16 0.00 -0.25 0.00 0.00 175.29 176.81 2pq9 h ALA 426 N 3.79 0.59 0.00 6.09 0.00 -1.97 -2.89 119.26 124.87 2pq9 h ALA 426 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2pq9 h ALA 426 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2pq9 h ALA 426 CO 0.40 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.65