#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qi9 s ILE 3 N 0.00 3.89 -2.77 -1.33 1.01 -1.26 0.11 121.20 120.84 2qi9 s ILE 3 Ca 0.00 1.04 0.24 0.00 0.00 0.00 0.00 60.65 61.93 2qi9 s ILE 3 Cb 0.00 -3.80 0.30 0.00 0.01 0.00 0.00 42.46 38.97 2qi9 s ILE 3 CO 0.00 -0.23 1.35 0.52 0.00 0.00 0.00 174.94 176.58 2qi9 n VAL 4 N 5.91 0.18 -3.65 2.92 0.31 0.93 -4.84 118.33 120.09 2qi9 n VAL 4 Ca 0.17 -0.56 -0.02 0.00 -0.01 0.00 0.00 64.34 63.91 2qi9 n VAL 4 Cb 0.45 1.23 -0.07 0.00 -0.91 0.00 0.00 33.84 34.54 2qi9 n VAL 4 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2qi9 s GLN 6 N -1.82 0.20 -0.04 5.55 -0.21 -0.32 -1.04 119.66 121.97 2qi9 s GLN 6 Ca 0.32 0.28 0.05 0.00 0.02 0.00 0.00 55.36 56.03 2qi9 s GLN 6 Cb 0.21 0.07 -0.01 0.00 1.00 0.00 0.00 33.01 34.29 2qi9 s GLN 6 CO 0.31 -0.03 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.75 2qi9 s LEU 7 N 0.59 1.96 -0.19 2.90 1.43 -0.31 -0.10 118.68 124.96 2qi9 s LEU 7 Ca -0.01 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2qi9 s LEU 7 Cb -0.04 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.17 2qi9 s LEU 7 CO -0.12 0.18 -0.04 -1.10 0.23 0.00 0.00 176.35 175.50 2qi9 s GLN 8 N -0.05 1.40 -1.52 1.70 1.11 -0.05 -1.90 119.66 120.35 2qi9 s GLN 8 Ca -0.03 -0.64 -0.04 0.00 0.01 0.00 0.00 55.36 54.66 2qi9 s GLN 8 Cb -0.12 -2.19 0.02 0.00 -1.01 0.00 0.00 33.01 29.71 2qi9 s GLN 8 CO 0.02 -0.50 0.46 -0.25 0.01 0.00 0.00 175.29 175.03 2qi9 n ASP 9 N 4.84 -5.57 -4.68 5.90 8.00 -0.37 -1.91 116.55 122.77 2qi9 n ASP 9 Ca -0.12 -0.23 -0.42 0.00 0.71 0.00 0.00 54.79 54.73 2qi9 n ASP 9 Cb 0.47 -4.55 -0.03 0.00 -0.02 0.00 0.00 41.12 36.99 2qi9 n ASP 9 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qi9 s VAL 10 N -3.08 3.11 0.05 2.53 1.01 -0.70 -3.25 120.40 120.06 2qi9 s VAL 10 Ca 0.25 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 2qi9 s VAL 10 Cb -0.12 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2qi9 s VAL 10 CO 0.31 -0.02 0.25 0.00 0.00 0.00 0.00 175.10 175.65 2qi9 s ALA 11 N 3.44 -0.51 -0.30 5.51 0.00 -0.11 -2.13 121.76 127.66 2qi9 s ALA 11 Ca 0.78 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 2qi9 s ALA 11 Cb -0.40 0.33 0.11 0.00 0.00 0.00 0.00 23.12 23.16 2qi9 s ALA 11 CO 0.34 -0.41 0.14 -2.00 0.00 0.00 0.00 175.76 173.84 2qi9 s GLU 12 N -2.71 0.31 4.60 0.00 2.12 -0.46 -2.11 118.70 120.45 2qi9 s GLU 12 Ca -0.04 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.58 2qi9 s GLU 12 Cb -0.00 -1.28 0.00 0.00 0.26 0.00 0.00 34.13 33.11 2qi9 s GLU 12 CO -0.04 -1.05 0.00 0.45 -0.54 0.00 0.00 175.26 174.08 2qi9 n SER 13 N 5.02 0.00 0.06 -1.70 2.88 -1.26 -1.86 113.62 116.75 2qi9 n SER 13 Ca -0.03 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.63 2qi9 n SER 13 Cb 0.41 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2qi9 n SER 13 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2qi9 n THR 14 N 0.00 0.36 0.10 2.46 -1.04 -1.26 -4.66 114.28 110.23 2qi9 n THR 14 Ca 0.00 -0.42 -0.02 0.00 -2.04 0.00 0.00 64.05 61.57 2qi9 n THR 14 Cb 0.00 -0.10 -0.04 0.00 -1.82 0.00 0.00 70.33 68.36 2qi9 n THR 14 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2qi9 h ARG 15 N 0.00 0.00 -3.39 -2.82 3.08 -1.70 -3.42 114.38 106.13 2qi9 h ARG 15 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2qi9 h ARG 15 Cb 0.90 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.55 2qi9 h ARG 15 CO 0.00 0.66 -0.75 -1.17 -1.07 0.00 0.00 179.97 177.65 2qi9 s LEU 16 N -6.48 2.62 1.17 3.04 0.20 -1.19 -3.74 118.68 114.30 2qi9 s LEU 16 Ca 0.02 -2.11 -0.13 0.00 0.69 0.00 0.00 54.13 52.61 2qi9 s LEU 16 Cb 0.09 -0.99 0.29 0.00 -0.43 0.00 0.00 46.19 45.14 2qi9 s LEU 16 CO 0.78 -0.35 1.03 -0.83 -0.29 0.00 0.00 176.35 176.69 2qi9 s GLY 17 N 1.02 1.55 0.10 7.98 0.00 0.32 -1.35 107.32 116.93 2qi9 s GLY 17 Ca 0.13 -0.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.45 2qi9 s GLY 17 CO -0.12 0.62 1.79 2.56 0.00 0.00 0.00 173.10 177.95 2qi9 s PRO 18 N -4.44 4.15 0.08 2.90 0.04 -1.25 -4.41 135.00 132.07 2qi9 s PRO 18 Ca 0.69 2.52 0.05 0.00 0.04 0.00 0.00 61.00 64.29 2qi9 s PRO 18 Cb -0.25 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 2qi9 s PRO 18 CO 0.65 -0.83 -0.12 -0.51 0.04 0.00 0.00 177.00 176.23 2qi9 s LEU 19 N 2.92 2.33 0.02 -3.56 1.43 -0.90 -4.87 118.68 116.05 2qi9 s LEU 19 Ca 0.80 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2qi9 s LEU 19 Cb -0.44 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 2qi9 s LEU 19 CO 0.36 -0.15 0.03 -0.44 0.23 0.00 0.00 176.35 176.38 2qi9 s SER 20 N -2.01 0.19 0.00 2.29 0.01 -1.26 -1.23 113.70 111.69 2qi9 s SER 20 Ca 0.01 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2qi9 s SER 20 Cb -0.07 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2qi9 s SER 20 CO 0.02 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2qi9 n GLY 21 N 1.36 -0.55 3.14 3.44 0.00 -0.80 -4.98 105.19 106.81 2qi9 n GLY 21 Ca -0.22 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 2qi9 n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qi9 s GLU 22 N -2.00 0.76 -0.14 1.61 2.02 -1.26 -1.16 118.70 118.52 2qi9 s GLU 22 Ca 0.00 -1.14 0.01 0.00 0.02 0.00 0.00 54.97 53.86 2qi9 s GLU 22 Cb 0.00 -0.33 0.00 0.00 0.10 0.00 0.00 34.13 33.90 2qi9 s GLU 22 CO 0.00 0.03 -0.18 0.08 0.02 0.00 0.00 175.26 175.21 2qi9 s VAL 23 N -2.71 2.45 -0.09 2.63 1.01 -1.26 -5.00 120.40 117.43 2qi9 s VAL 23 Ca 0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2qi9 s VAL 23 Cb -0.01 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2qi9 s VAL 23 CO -0.02 0.53 0.10 -0.13 0.00 0.00 0.00 175.10 175.59 2qi9 s ARG 24 N 0.72 3.29 0.43 2.72 0.52 -1.26 -0.05 118.95 125.31 2qi9 s ARG 24 Ca -0.08 -0.25 -0.26 0.00 -0.52 0.00 0.00 55.73 54.62 2qi9 s ARG 24 Cb -0.16 -3.05 -0.09 0.00 0.52 0.00 0.00 34.95 32.17 2qi9 s ARG 24 CO 0.01 0.74 1.37 0.00 0.02 0.00 0.00 175.30 177.44 2qi9 n ALA 25 N 1.85 1.76 -0.92 2.13 0.00 0.30 -2.31 120.51 123.31 2qi9 n ALA 25 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2qi9 n ALA 25 Cb 0.54 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2qi9 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qi9 n GLY 26 N 0.66 0.60 3.60 0.00 0.00 -0.97 -4.88 105.19 104.20 2qi9 n GLY 26 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2qi9 n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qi9 s GLU 27 N -0.37 2.69 -0.29 1.61 2.02 -0.98 -4.63 118.70 118.75 2qi9 s GLU 27 Ca 0.00 -0.61 -0.14 0.00 0.02 0.00 0.00 54.97 54.23 2qi9 s GLU 27 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 2qi9 s GLU 27 CO 0.00 0.64 0.35 0.42 0.02 0.00 0.00 175.26 176.69 2qi9 s ILE 28 N -0.91 5.19 -0.19 -1.63 1.01 -1.26 -1.71 121.20 121.71 2qi9 s ILE 28 Ca 0.15 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 2qi9 s ILE 28 Cb -0.11 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2qi9 s ILE 28 CO 0.04 0.09 -0.07 -0.22 0.00 0.00 0.00 174.94 174.78 2qi9 s LEU 29 N 2.02 2.86 -0.00 2.97 2.96 0.23 -0.75 118.68 128.97 2qi9 s LEU 29 Ca 0.13 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2qi9 s LEU 29 Cb -0.16 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2qi9 s LEU 29 CO 0.11 0.06 0.13 -1.00 -1.32 0.00 0.00 176.35 174.32 2qi9 s HIS 30 N 1.02 3.41 -0.24 5.38 3.76 -0.89 -4.05 115.29 123.69 2qi9 s HIS 30 Ca -0.00 0.28 -0.09 0.00 -0.15 0.00 0.00 55.06 55.10 2qi9 s HIS 30 Cb -0.15 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 2qi9 s HIS 30 CO -0.00 0.60 0.11 -0.51 -0.85 0.00 0.00 174.74 174.09 2qi9 s LEU 31 N -1.86 3.80 0.05 0.89 1.43 -1.26 -1.36 118.68 120.36 2qi9 s LEU 31 Ca 0.25 -0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.42 2qi9 s LEU 31 Cb -0.12 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2qi9 s LEU 31 CO 0.17 0.04 -0.26 -0.69 0.23 0.00 0.00 176.35 175.84 2qi9 s VAL 32 N 1.20 2.06 0.00 -1.59 1.01 0.08 -0.53 120.40 122.63 2qi9 s VAL 32 Ca 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.67 2qi9 s VAL 32 Cb -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2qi9 s VAL 32 CO 0.05 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2qi9 n GLY 33 N 1.78 2.72 3.75 4.51 0.00 -1.26 -0.12 105.19 116.57 2qi9 n GLY 33 Ca -0.17 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 2qi9 n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qi9 s PRO 34 N -2.07 0.46 0.35 1.61 0.04 -1.26 -4.89 135.00 129.24 2qi9 s PRO 34 Ca 0.00 0.12 -0.29 0.00 0.04 0.00 0.00 61.00 60.88 2qi9 s PRO 34 Cb 0.00 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.65 2qi9 s PRO 34 CO 0.00 -2.63 1.53 0.09 0.04 0.00 0.00 177.00 176.03 2qi9 n ASN 35 N -4.03 3.84 0.00 6.66 3.02 -1.26 -1.70 115.26 121.78 2qi9 n ASN 35 Ca 0.09 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.84 2qi9 n ASN 35 Cb 0.59 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 2qi9 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qi9 n GLY 36 N 1.06 0.77 0.16 7.41 0.00 -1.26 -4.91 105.19 108.41 2qi9 n GLY 36 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 2qi9 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi9 h ALA 37 N 0.00 1.00 0.00 4.61 0.00 -1.67 -3.34 119.26 119.86 2qi9 h ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qi9 h ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qi9 h ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2qi9 n GLY 38 N -0.22 0.91 0.23 0.00 0.00 -1.26 -0.32 105.19 104.52 2qi9 n GLY 38 Ca 0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2qi9 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qi9 h LYS 39 N 1.51 0.74 -0.04 1.61 1.57 -1.92 -1.32 116.57 118.73 2qi9 h LYS 39 Ca 0.00 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2qi9 h LYS 39 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2qi9 h LYS 39 CO 0.00 0.77 0.01 0.77 -0.57 0.00 0.00 179.45 180.43 2qi9 h SER 40 N 0.60 0.05 -0.83 0.86 0.02 -2.00 -1.25 113.55 111.00 2qi9 h SER 40 Ca 0.13 -0.19 0.10 0.00 -0.84 0.00 0.00 61.79 60.99 2qi9 h SER 40 Cb 0.39 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 2qi9 h SER 40 CO 0.01 0.23 0.47 0.74 -1.14 0.00 0.00 176.83 177.14 2qi9 h THR 41 N -0.13 0.88 -0.06 -2.27 2.02 -1.97 -1.43 112.91 109.95 2qi9 h THR 41 Ca 0.01 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2qi9 h THR 41 Cb 0.20 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2qi9 h THR 41 CO -0.00 0.14 -0.00 0.25 0.37 0.00 0.00 175.52 176.28 2qi9 h LEU 42 N 0.77 0.11 -0.28 2.58 5.85 -1.03 -2.11 115.31 121.20 2qi9 h LEU 42 Ca 0.41 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2qi9 h LEU 42 Cb 0.41 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2qi9 h LEU 42 CO -0.26 0.41 0.07 -0.07 -0.34 0.00 0.00 178.44 178.24 2qi9 h LEU 43 N -0.18 0.05 -1.39 2.25 3.38 -0.76 -1.61 115.31 117.05 2qi9 h LEU 43 Ca 0.02 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2qi9 h LEU 43 Cb 0.35 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2qi9 h LEU 43 CO 0.00 0.06 0.49 0.00 0.09 0.00 0.00 178.44 179.09 2qi9 h ALA 44 N 1.20 1.76 0.00 1.53 0.00 -1.26 -1.71 119.26 120.77 2qi9 h ALA 44 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qi9 h ALA 44 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2qi9 h ALA 44 CO -0.15 0.11 0.00 -2.13 0.00 0.00 0.00 179.25 177.07 2qi9 n ARG 45 N -4.49 0.50 0.00 0.00 3.00 -0.61 -2.92 116.66 112.14 2qi9 n ARG 45 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 2qi9 n ARG 45 Cb 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.49 2qi9 n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qi9 n ALA 47 N 0.95 0.00 -1.41 5.13 0.00 -0.65 -4.69 120.51 119.85 2qi9 n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qi9 n ALA 47 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2qi9 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qi9 n GLY 48 N 0.11 -0.06 0.39 0.00 0.00 -1.15 -5.04 105.19 99.44 2qi9 n GLY 48 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 2qi9 n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qi9 n THR 50 N -1.01 0.00 -3.95 2.61 -1.04 -1.18 -5.12 114.28 104.59 2qi9 n THR 50 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 2qi9 n THR 50 Cb 0.47 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.90 2qi9 n THR 50 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2qi9 s SER 51 N -0.13 0.22 0.00 8.00 1.04 -1.26 -4.76 113.70 116.81 2qi9 s SER 51 Ca 0.04 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2qi9 s SER 51 Cb 0.01 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2qi9 s SER 51 CO 0.08 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2qi9 n GLY 52 N -0.03 -0.59 3.76 7.32 0.00 -1.26 -5.06 105.19 109.33 2qi9 n GLY 52 Ca -0.13 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 2qi9 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qi9 s LYS 53 N -0.79 3.57 0.00 1.61 -0.14 -0.90 -4.82 119.74 118.27 2qi9 s LYS 53 Ca 0.00 2.34 0.00 0.00 -1.36 0.00 0.00 55.97 56.95 2qi9 s LYS 53 Cb 0.00 -2.56 0.00 0.00 -1.68 0.00 0.00 37.83 33.59 2qi9 s LYS 53 CO 0.00 -0.88 0.00 0.41 -0.76 0.00 0.00 175.35 174.12 2qi9 n GLY 54 N 0.62 0.31 3.21 -3.33 0.00 -1.20 -0.94 105.19 103.87 2qi9 n GLY 54 Ca 0.06 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 2qi9 n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qi9 s SER 55 N -1.63 2.13 -0.02 1.61 1.04 -0.80 -4.84 113.70 111.19 2qi9 s SER 55 Ca 0.00 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 55.93 2qi9 s SER 55 Cb 0.00 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 2qi9 s SER 55 CO 0.00 0.07 -0.16 -0.63 0.98 0.00 0.00 173.24 173.50 2qi9 s ILE 56 N -0.95 1.26 -0.14 -1.02 1.01 -1.26 -0.88 121.20 119.22 2qi9 s ILE 56 Ca 0.04 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2qi9 s ILE 56 Cb -0.09 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.33 2qi9 s ILE 56 CO 0.02 0.36 -0.21 -1.10 0.00 0.00 0.00 174.94 174.01 2qi9 s GLN 57 N -0.20 3.05 -0.19 2.79 1.11 0.86 -1.06 119.66 126.03 2qi9 s GLN 57 Ca 0.02 -0.84 -0.02 0.00 0.01 0.00 0.00 55.36 54.53 2qi9 s GLN 57 Cb -0.08 -2.47 -0.01 0.00 -1.01 0.00 0.00 33.01 29.44 2qi9 s GLN 57 CO 0.00 -0.01 -0.08 0.12 0.01 0.00 0.00 175.29 175.33 2qi9 s PHE 58 N 0.82 2.90 -1.46 0.91 5.36 -0.00 -1.17 117.98 125.34 2qi9 s PHE 58 Ca -0.07 -0.91 -0.09 0.00 -0.96 0.00 0.00 56.93 54.91 2qi9 s PHE 58 Cb -0.15 -2.01 0.04 0.00 -0.34 0.00 0.00 43.02 40.56 2qi9 s PHE 58 CO -0.02 -0.46 0.81 0.00 -1.46 0.00 0.00 175.22 174.09 2qi9 n ALA 59 N 4.37 -1.14 0.00 11.12 0.00 -0.21 -2.08 120.51 132.57 2qi9 n ALA 59 Ca -0.18 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2qi9 n ALA 59 Cb 0.51 -4.21 0.00 0.00 0.00 0.00 0.00 19.45 15.76 2qi9 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qi9 n GLY 60 N -1.61 3.18 3.60 0.00 0.00 -1.26 -5.03 105.19 104.08 2qi9 n GLY 60 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2qi9 n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qi9 s GLN 61 N -0.41 2.74 0.34 1.61 -1.52 -0.88 -5.03 119.66 116.51 2qi9 s GLN 61 Ca 0.00 -0.57 -0.28 0.00 -1.95 0.00 0.00 55.36 52.56 2qi9 s GLN 61 Cb 0.00 -2.60 -0.12 0.00 -0.22 0.00 0.00 33.01 30.07 2qi9 s GLN 61 CO 0.00 0.65 1.32 -0.35 -0.25 0.00 0.00 175.29 176.66 2qi9 n PRO 62 N 2.01 2.20 -0.34 2.91 -0.04 -1.26 -0.82 135.00 139.65 2qi9 n PRO 62 Ca -0.17 0.77 0.17 0.00 -0.04 0.00 0.00 63.50 64.23 2qi9 n PRO 62 Cb 0.53 -2.37 0.38 0.00 -0.04 0.00 0.00 33.50 31.99 2qi9 n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2qi9 h LEU 63 N 2.64 0.68 -2.66 1.53 5.85 -1.43 0.11 115.31 122.03 2qi9 h LEU 63 Ca -0.47 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2qi9 h LEU 63 Cb 1.28 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2qi9 h LEU 63 CO 0.63 0.11 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.50 2qi9 h GLU 64 N 0.59 0.00 -0.00 1.25 3.07 -1.89 -1.11 114.58 116.49 2qi9 h GLU 64 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 2qi9 h GLU 64 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2qi9 h GLU 64 CO -0.47 0.01 -0.12 0.00 -1.40 0.00 0.00 179.01 177.03 2qi9 n ALA 65 N -2.15 2.71 -2.28 3.43 0.00 0.37 -4.84 120.51 117.74 2qi9 n ALA 65 Ca -0.03 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 2qi9 n ALA 65 Cb 0.11 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 2qi9 n ALA 65 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qi9 s TRP 66 N -2.73 3.40 0.01 0.00 0.52 -0.42 -5.04 118.94 114.67 2qi9 s TRP 66 Ca 0.22 1.05 -0.07 0.00 0.02 0.00 0.00 56.10 57.32 2qi9 s TRP 66 Cb 0.19 -2.40 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 2qi9 s TRP 66 CO 0.52 0.18 0.27 -1.54 0.02 0.00 0.00 176.95 176.40 2qi9 s SER 67 N -2.32 6.49 0.32 2.95 1.04 -1.26 -4.96 113.70 115.96 2qi9 s SER 67 Ca 0.51 0.56 0.09 0.00 0.48 0.00 0.00 55.95 57.59 2qi9 s SER 67 Cb -0.11 -2.09 0.91 0.00 0.10 0.00 0.00 66.02 64.83 2qi9 s SER 67 CO 0.19 0.25 1.68 0.00 0.98 0.00 0.00 173.24 176.34 2qi9 h ALA 68 N 3.98 1.70 -0.61 5.32 0.00 -1.97 0.10 119.26 127.78 2qi9 h ALA 68 Ca -0.50 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2qi9 h ALA 68 Cb 1.20 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2qi9 h ALA 68 CO 0.66 -0.44 0.16 1.15 0.00 0.00 0.00 179.25 180.78 2qi9 h THR 69 N 0.37 1.25 -0.01 0.00 2.02 -2.00 -2.45 112.91 112.09 2qi9 h THR 69 Ca 0.65 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.79 2qi9 h THR 69 Cb 1.36 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2qi9 h THR 69 CO -0.57 0.33 -0.68 0.50 0.37 0.00 0.00 175.52 175.47 2qi9 h LYS 70 N 0.88 0.06 -0.32 6.66 3.64 -1.26 -3.12 116.57 123.12 2qi9 h LYS 70 Ca 0.19 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2qi9 h LYS 70 Cb 0.34 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2qi9 h LYS 70 CO -0.00 0.72 0.19 -0.07 -2.27 0.00 0.00 179.45 178.02 2qi9 h LEU 71 N 0.04 0.38 -1.95 5.20 3.38 -0.96 -2.31 115.31 119.10 2qi9 h LEU 71 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qi9 h LEU 71 Cb 1.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2qi9 h LEU 71 CO 0.09 0.33 0.20 0.00 0.09 0.00 0.00 178.44 179.16 2qi9 h ALA 72 N 1.07 1.19 0.09 1.53 0.00 -1.38 0.46 119.26 122.22 2qi9 h ALA 72 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 2qi9 h ALA 72 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2qi9 h ALA 72 CO -0.02 -0.19 -1.83 -0.07 0.00 0.00 0.00 179.25 177.15 2qi9 h LEU 73 N 0.00 0.30 0.00 0.00 3.38 -1.48 -3.39 115.31 114.11 2qi9 h LEU 73 Ca 0.00 -0.60 -0.05 0.00 0.09 0.00 0.00 57.88 57.32 2qi9 h LEU 73 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2qi9 h LEU 73 CO 0.00 1.53 -1.66 1.41 0.09 0.00 0.00 178.44 179.82 2qi9 n HIS 74 N -3.35 0.41 -4.16 1.13 8.25 -0.55 -3.21 115.22 113.74 2qi9 n HIS 74 Ca -0.25 0.12 -0.15 0.00 -0.26 0.00 0.00 57.72 57.18 2qi9 n HIS 74 Cb 1.05 -0.75 -0.13 0.00 1.12 0.00 0.00 29.99 31.28 2qi9 n HIS 74 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qi9 s ARG 75 N -3.33 0.55 -0.00 -0.41 3.00 0.15 -0.79 118.95 118.12 2qi9 s ARG 75 Ca -0.05 -0.51 0.05 0.00 -1.00 0.00 0.00 55.73 54.22 2qi9 s ARG 75 Cb 0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 34.95 34.60 2qi9 s ARG 75 CO 0.86 0.11 -0.15 0.00 0.00 0.00 0.00 175.30 176.12 2qi9 s ALA 76 N -0.75 1.22 -0.03 6.12 0.00 -0.34 -4.19 121.76 123.80 2qi9 s ALA 76 Ca -0.03 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2qi9 s ALA 76 Cb -0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 2qi9 s ALA 76 CO 0.00 0.29 -0.12 -0.47 0.00 0.00 0.00 175.76 175.47 2qi9 s TYR 77 N -0.41 1.16 -0.25 0.00 5.04 -1.26 -1.03 117.35 120.60 2qi9 s TYR 77 Ca 0.05 -0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.40 2qi9 s TYR 77 Cb -0.06 -0.80 0.07 0.00 0.35 0.00 0.00 41.96 41.52 2qi9 s TYR 77 CO -0.00 -0.10 -0.04 -1.17 -1.34 0.00 0.00 175.55 172.90 2qi9 s LEU 78 N 0.08 2.80 0.97 6.97 0.20 -0.23 -5.00 118.68 124.46 2qi9 s LEU 78 Ca -0.02 -1.30 -0.13 0.00 0.69 0.00 0.00 54.13 53.37 2qi9 s LEU 78 Cb -0.09 -1.22 0.17 0.00 -0.43 0.00 0.00 46.19 44.62 2qi9 s LEU 78 CO 0.01 -0.26 1.12 -0.94 -0.29 0.00 0.00 176.35 175.99 2qi9 s SER 79 N 1.35 2.97 0.30 3.68 1.04 -1.26 -1.21 113.70 120.56 2qi9 s SER 79 Ca -0.04 1.04 0.16 0.00 0.48 0.00 0.00 55.95 57.59 2qi9 s SER 79 Cb -0.19 -1.64 0.29 0.00 0.10 0.00 0.00 66.02 64.57 2qi9 s SER 79 CO -0.07 -2.90 1.54 0.06 0.98 0.00 0.00 173.24 172.85 2qi9 h GLN 80 N -1.74 0.00 -3.68 4.02 3.07 -1.92 -3.43 115.11 111.44 2qi9 h GLN 80 Ca -0.53 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.00 2qi9 h GLN 80 Cb 1.33 0.00 -0.27 0.00 0.08 0.00 0.00 27.48 28.62 2qi9 h GLN 80 CO 0.59 0.51 -0.68 -1.14 0.09 0.00 0.00 178.83 178.20 2qi9 s GLN 81 N -3.20 0.07 -0.22 0.06 0.74 -1.26 -4.99 119.66 110.87 2qi9 s GLN 81 Ca 0.02 -0.02 -0.06 0.00 0.05 0.00 0.00 55.36 55.35 2qi9 s GLN 81 Cb 0.09 0.03 0.11 0.00 1.10 0.00 0.00 33.01 34.34 2qi9 s GLN 81 CO 0.73 -0.01 0.43 -0.65 -0.55 0.00 0.00 175.29 175.23 2qi9 s GLN 82 N -0.15 0.35 0.14 1.67 -0.21 -1.26 -5.12 119.66 115.07 2qi9 s GLN 82 Ca -0.02 0.94 -0.31 0.00 0.02 0.00 0.00 55.36 55.99 2qi9 s GLN 82 Cb -0.01 0.18 -0.10 0.00 1.00 0.00 0.00 33.01 34.07 2qi9 s GLN 82 CO -0.00 -0.35 1.77 0.99 -2.12 0.00 0.00 175.29 175.58 2qi9 s THR 83 N 2.62 2.50 0.42 -0.19 2.01 -1.26 -4.90 115.64 116.84 2qi9 s THR 83 Ca 0.02 0.12 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 2qi9 s THR 83 Cb -0.13 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 2qi9 s THR 83 CO -0.14 0.00 1.40 -2.16 -0.69 0.00 0.00 174.62 173.03 2qi9 s PRO 84 N 2.33 3.84 0.28 4.92 0.04 -1.26 -4.97 135.00 140.18 2qi9 s PRO 84 Ca 0.78 2.36 -0.29 0.00 0.04 0.00 0.00 61.00 63.89 2qi9 s PRO 84 Cb -0.46 -2.74 -0.10 0.00 0.04 0.00 0.00 34.50 31.25 2qi9 s PRO 84 CO 0.35 -0.67 1.26 -1.25 0.04 0.00 0.00 177.00 176.73 2qi9 s PRO 85 N -2.32 4.44 0.29 0.56 0.04 -1.26 -4.87 135.00 131.88 2qi9 s PRO 85 Ca 0.58 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 63.44 2qi9 s PRO 85 Cb -0.42 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 30.88 2qi9 s PRO 85 CO 0.55 -0.11 0.89 -0.59 0.04 0.00 0.00 177.00 177.78 2qi9 s PHE 86 N -0.74 3.70 -1.48 0.56 -0.12 -1.26 -3.84 117.98 114.80 2qi9 s PHE 86 Ca 0.50 1.70 -0.12 0.00 -0.05 0.00 0.00 56.93 58.96 2qi9 s PHE 86 Cb -0.37 -2.85 0.07 0.00 -0.63 0.00 0.00 43.02 39.23 2qi9 s PHE 86 CO 0.45 0.26 1.00 0.00 -0.05 0.00 0.00 175.22 176.88 2qi9 n ALA 87 N 0.67 -1.36 -3.65 1.99 0.00 -1.26 -4.98 120.51 111.93 2qi9 n ALA 87 Ca 0.01 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 2qi9 n ALA 87 Cb 0.50 -4.46 -0.15 0.00 0.00 0.00 0.00 19.45 15.34 2qi9 n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qi9 s THR 88 N -3.33 0.52 0.25 0.00 2.01 -1.26 -5.05 115.64 108.78 2qi9 s THR 88 Ca 0.59 -1.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 2qi9 s THR 88 Cb -0.29 -1.41 -0.14 0.00 0.01 0.00 0.00 72.50 70.67 2qi9 s THR 88 CO 0.81 -0.72 1.21 -0.81 -0.69 0.00 0.00 174.62 174.42 2qi9 n PRO 89 N 4.90 1.59 -0.36 4.92 -0.04 -1.26 -2.48 135.00 142.26 2qi9 n PRO 89 Ca -0.02 0.56 -0.01 0.00 -0.04 0.00 0.00 63.50 63.99 2qi9 n PRO 89 Cb 0.41 -2.08 0.04 0.00 -0.04 0.00 0.00 33.50 31.83 2qi9 n PRO 89 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2qi9 n VAL 90 N 1.11 -0.50 -0.01 0.52 0.31 0.42 -0.18 118.33 120.01 2qi9 n VAL 90 Ca 0.11 2.21 0.09 0.00 -0.01 0.00 0.00 64.34 66.74 2qi9 n VAL 90 Cb 0.30 -2.93 0.49 0.00 -0.91 0.00 0.00 33.84 30.80 2qi9 n VAL 90 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 2qi9 h TRP 91 N 0.00 0.40 -0.13 3.52 5.08 -1.50 -1.61 115.95 121.71 2qi9 h TRP 91 Ca 0.33 0.01 -0.09 0.00 1.08 0.00 0.00 58.89 60.22 2qi9 h TRP 91 Cb 0.57 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 2qi9 h TRP 91 CO -0.83 0.22 -0.28 1.25 -1.28 0.00 0.00 178.44 177.52 2qi9 h HIS 92 N 0.40 0.54 -0.91 0.12 2.76 -0.85 -2.18 115.15 115.03 2qi9 h HIS 92 Ca 0.19 -0.20 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 2qi9 h HIS 92 Cb 0.26 -0.10 -0.07 0.00 1.55 0.00 0.00 27.41 29.05 2qi9 h HIS 92 CO -0.00 0.90 0.58 -0.92 -1.30 0.00 0.00 177.93 177.20 2qi9 h TYR 93 N 0.02 0.90 -0.13 5.26 3.20 -0.50 -1.91 116.97 123.80 2qi9 h TYR 93 Ca 0.00 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 2qi9 h TYR 93 Cb 0.88 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.88 2qi9 h TYR 93 CO 0.10 0.34 -0.63 -0.07 -1.64 0.00 0.00 178.16 176.26 2qi9 h LEU 94 N 0.77 0.78 -0.92 2.82 3.38 -1.20 -3.27 115.31 117.67 2qi9 h LEU 94 Ca 0.45 -0.64 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2qi9 h LEU 94 Cb 0.65 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2qi9 h LEU 94 CO -0.22 1.29 0.32 0.71 0.09 0.00 0.00 178.44 180.64 2qi9 h THR 95 N 0.32 1.25 0.00 0.22 1.35 -0.71 -1.25 112.91 114.08 2qi9 h THR 95 Ca -0.04 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2qi9 h THR 95 Cb 1.27 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2qi9 h THR 95 CO 0.13 0.31 0.09 -0.07 -0.25 0.00 0.00 175.52 175.73 2qi9 h LEU 96 N 1.09 0.00 -0.17 3.87 3.38 -1.42 0.80 115.31 122.85 2qi9 h LEU 96 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2qi9 h LEU 96 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2qi9 h LEU 96 CO -0.03 0.00 -0.56 1.41 0.09 0.00 0.00 178.44 179.35 2qi9 n HIS 97 N -2.76 0.00 -3.28 1.13 8.25 -0.48 -4.89 115.22 113.19 2qi9 n HIS 97 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.05 2qi9 n HIS 97 Cb 0.14 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.04 2qi9 n HIS 97 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2qi9 s GLN 98 N -2.86 4.29 0.12 -0.41 -0.21 0.27 -3.14 119.66 117.73 2qi9 s GLN 98 Ca 0.13 0.57 0.02 0.00 0.02 0.00 0.00 55.36 56.10 2qi9 s GLN 98 Cb 0.18 -3.38 -0.16 0.00 1.00 0.00 0.00 33.01 30.64 2qi9 s GLN 98 CO 0.69 0.28 1.27 0.45 -2.12 0.00 0.00 175.29 175.86 2qi9 h HIS 99 N 6.15 0.25 -3.47 0.91 3.86 -1.85 -3.37 115.15 117.64 2qi9 h HIS 99 Ca -0.44 -0.17 -0.68 0.00 -1.16 0.00 0.00 60.37 57.92 2qi9 h HIS 99 Cb 1.19 -0.02 -0.37 0.00 1.06 0.00 0.00 27.41 29.28 2qi9 h HIS 99 CO 0.64 1.08 -0.38 0.34 0.86 0.00 0.00 177.93 180.47 2qi9 s ASP 100 N -6.93 5.16 0.00 2.45 -1.08 -1.26 -4.93 116.67 110.09 2qi9 s ASP 100 Ca -0.02 -3.06 0.01 0.00 -0.52 0.00 0.00 52.55 48.96 2qi9 s ASP 100 Cb 0.09 -1.82 0.07 0.00 -1.46 0.00 0.00 42.92 39.81 2qi9 s ASP 100 CO 0.84 -0.30 0.52 0.29 0.52 0.00 0.00 175.17 177.03 2qi9 n LYS 101 N 3.17 0.44 -0.05 4.34 5.02 -1.26 -2.60 118.16 127.22 2qi9 n LYS 101 Ca 0.10 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 2qi9 n LYS 101 Cb 0.37 -1.04 -0.13 0.00 -0.02 0.00 0.00 35.03 34.20 2qi9 n LYS 101 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2qi9 h THR 102 N 0.00 1.71 -0.11 -0.18 2.02 -1.95 -3.42 112.91 110.99 2qi9 h THR 102 Ca 0.00 -2.23 -0.01 0.00 0.77 0.00 0.00 66.41 64.94 2qi9 h THR 102 Cb 0.00 3.22 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2qi9 h THR 102 CO 0.00 0.59 0.22 0.54 0.37 0.00 0.00 175.52 177.24 2qi9 n ARG 103 N -4.57 0.15 0.08 6.66 5.12 -1.07 -4.64 116.66 118.39 2qi9 n ARG 103 Ca -0.10 -1.26 -0.02 0.00 -1.93 0.00 0.00 57.85 54.54 2qi9 n ARG 103 Cb 0.50 -3.38 -0.06 0.00 -1.16 0.00 0.00 32.46 28.37 2qi9 n ARG 103 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2qi9 h THR 104 N 6.92 1.10 -0.16 0.55 2.02 -1.89 -3.19 112.91 118.27 2qi9 h THR 104 Ca 0.00 -2.65 -0.01 0.00 0.77 0.00 0.00 66.41 64.53 2qi9 h THR 104 Cb 1.00 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 2qi9 h THR 104 CO 1.02 0.63 0.06 -0.33 0.37 0.00 0.00 175.52 177.28 2qi9 h GLU 105 N 0.00 0.23 -0.08 6.66 3.07 -1.99 -2.09 114.58 120.38 2qi9 h GLU 105 Ca -0.05 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.80 2qi9 h GLU 105 Cb 1.60 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.43 2qi9 h GLU 105 CO 0.09 0.32 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.74 2qi9 h LEU 106 N 0.10 -0.64 -0.90 1.33 3.38 -1.95 0.56 115.31 117.19 2qi9 h LEU 106 Ca 0.05 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.23 2qi9 h LEU 106 Cb 0.17 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.08 2qi9 h LEU 106 CO -0.00 -0.27 -0.50 0.25 0.09 0.00 0.00 178.44 178.01 2qi9 h LEU 107 N -0.29 -1.83 -0.51 1.67 7.12 -1.49 0.23 115.31 120.20 2qi9 h LEU 107 Ca 0.08 0.31 -0.03 0.00 0.13 0.00 0.00 57.88 58.37 2qi9 h LEU 107 Cb 0.41 0.84 -0.02 0.00 -0.53 0.00 0.00 40.66 41.36 2qi9 h LEU 107 CO -0.25 -0.28 0.19 0.78 -0.13 0.00 0.00 178.44 178.76 2qi9 h ASN 108 N -0.06 0.72 0.04 1.25 2.35 -0.55 -0.80 115.58 118.53 2qi9 h ASN 108 Ca 0.21 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2qi9 h ASN 108 Cb 0.50 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2qi9 h ASN 108 CO -0.89 0.71 -0.12 0.44 -1.65 0.00 0.00 177.43 175.91 2qi9 h ASP 109 N 0.69 -0.34 -0.47 5.81 3.32 0.21 0.38 116.42 126.02 2qi9 h ASP 109 Ca 0.17 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2qi9 h ASP 109 Cb 0.22 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2qi9 h ASP 109 CO -0.01 -0.18 0.26 0.58 -1.72 0.00 0.00 179.24 178.17 2qi9 h VAL 110 N -0.23 1.17 -0.87 -1.35 2.07 -0.60 0.19 116.25 116.65 2qi9 h VAL 110 Ca 0.03 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.14 2qi9 h VAL 110 Cb 0.26 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2qi9 h VAL 110 CO -0.09 0.18 0.56 0.00 0.02 0.00 0.00 177.57 178.24 2qi9 h ALA 111 N 1.10 1.14 -0.39 1.67 0.00 -0.83 -2.27 119.26 119.68 2qi9 h ALA 111 Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2qi9 h ALA 111 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qi9 h ALA 111 CO -0.03 0.40 -0.12 0.78 0.00 0.00 0.00 179.25 180.28 2qi9 h GLY 112 N 1.08 0.84 1.22 0.00 0.00 0.46 0.61 103.07 107.28 2qi9 h GLY 112 Ca 0.35 -0.71 0.09 0.00 0.00 0.00 0.00 47.33 47.06 2qi9 h GLY 112 CO -0.12 0.65 0.31 0.00 0.00 0.00 0.00 176.54 177.38 2qi9 h ALA 113 N 0.83 2.18 -0.45 3.60 0.00 -0.21 0.99 119.26 126.20 2qi9 h ALA 113 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2qi9 h ALA 113 Cb 0.66 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2qi9 h ALA 113 CO 0.04 -0.29 0.04 1.28 0.00 0.00 0.00 179.25 180.33 2qi9 n LEU 114 N -4.45 4.92 -3.63 0.00 4.77 -0.89 -4.88 117.00 112.83 2qi9 n LEU 114 Ca 0.07 -3.07 -0.29 0.00 -0.03 0.00 0.00 56.01 52.69 2qi9 n LEU 114 Cb 0.39 -0.63 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 2qi9 n LEU 114 CO 0.35 0.71 -0.06 0.00 -1.33 0.00 0.00 177.39 177.06 2qi9 n ALA 115 N -0.10 -2.54 -0.32 -1.18 0.00 0.34 -4.93 120.51 111.79 2qi9 n ALA 115 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2qi9 n ALA 115 Cb 1.09 -4.34 0.00 0.00 0.00 0.00 0.00 19.45 16.20 2qi9 n ALA 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qi9 n LEU 116 N -4.07 1.04 -0.23 0.00 4.77 0.21 -4.85 117.00 113.87 2qi9 n LEU 116 Ca -0.09 -1.04 0.01 0.00 -0.03 0.00 0.00 56.01 54.86 2qi9 n LEU 116 Cb 0.59 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.78 2qi9 n LEU 116 CO 0.66 0.26 0.76 0.44 -1.33 0.00 0.00 177.39 178.19 2qi9 h ASP 117 N 0.00 -0.51 -0.15 -1.43 3.32 -1.88 0.87 116.42 116.63 2qi9 h ASP 117 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2qi9 h ASP 117 Cb 0.43 0.38 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2qi9 h ASP 117 CO 0.00 -0.20 0.00 -0.90 -1.72 0.00 0.00 179.24 176.42 2qi9 n ASP 118 N -5.40 1.32 0.00 6.45 5.75 -1.26 -3.79 116.55 119.62 2qi9 n ASP 118 Ca 0.10 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2qi9 n ASP 118 Cb 0.37 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2qi9 n ASP 118 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qi9 n LYS 119 N 0.04 0.54 0.30 0.11 5.02 0.28 -4.74 118.16 119.71 2qi9 n LYS 119 Ca 0.06 -0.68 0.17 0.00 -2.02 0.00 0.00 58.31 55.84 2qi9 n LYS 119 Cb 0.26 -0.79 0.98 0.00 -0.02 0.00 0.00 35.03 35.46 2qi9 n LYS 119 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qi9 h LEU 120 N 0.00 0.00 0.04 -0.35 3.38 -1.61 -2.53 115.31 114.23 2qi9 h LEU 120 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2qi9 h LEU 120 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2qi9 h LEU 120 CO 0.00 0.00 -1.35 1.23 0.09 0.00 0.00 178.44 178.41 2qi9 h GLY 121 N 0.00 0.09 -1.26 0.83 0.00 -1.88 -1.31 103.07 99.54 2qi9 h GLY 121 Ca 0.01 -0.24 -0.51 0.00 0.00 0.00 0.00 47.33 46.59 2qi9 h GLY 121 CO -0.00 0.21 0.24 0.50 0.00 0.00 0.00 176.54 177.49 2qi9 s ARG 122 N -2.65 1.23 0.10 4.80 0.52 -0.95 -4.62 118.95 117.38 2qi9 s ARG 122 Ca -0.04 1.36 -0.05 0.00 -0.52 0.00 0.00 55.73 56.49 2qi9 s ARG 122 Cb 0.08 -1.77 -0.05 0.00 0.52 0.00 0.00 34.95 33.74 2qi9 s ARG 122 CO 0.83 -2.42 0.34 -1.54 0.02 0.00 0.00 175.30 172.53 2qi9 s SER 123 N -2.90 6.50 0.66 0.23 1.04 -1.26 -0.44 113.70 117.53 2qi9 s SER 123 Ca 0.65 0.57 0.23 0.00 0.48 0.00 0.00 55.95 57.88 2qi9 s SER 123 Cb -0.21 -2.09 1.24 0.00 0.10 0.00 0.00 66.02 65.06 2qi9 s SER 123 CO 0.58 0.12 1.70 0.71 0.98 0.00 0.00 173.24 177.33 2qi9 h THR 124 N 2.36 0.00 0.00 2.02 1.35 -1.69 0.42 112.91 117.37 2qi9 h THR 124 Ca -0.47 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 2qi9 h THR 124 Cb 1.17 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2qi9 h THR 124 CO 0.71 0.00 -0.31 0.78 -0.25 0.00 0.00 175.52 176.44 2qi9 h ASN 125 N 0.00 0.00 -0.46 5.36 2.35 -1.87 -3.29 115.58 117.67 2qi9 h ASN 125 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qi9 h ASN 125 Cb 0.98 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 2qi9 h ASN 125 CO 0.00 0.09 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 2qi9 n GLN 126 N -3.03 4.11 -4.02 0.81 6.02 0.15 -4.96 117.38 116.47 2qi9 n GLN 126 Ca 0.02 -2.51 -0.24 0.00 -0.01 0.00 0.00 57.00 54.27 2qi9 n GLN 126 Cb 0.57 -2.12 -0.04 0.00 1.02 0.00 0.00 30.24 29.68 2qi9 n GLN 126 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2qi9 s LEU 127 N -2.19 4.09 0.71 1.08 1.43 -1.24 -4.92 118.68 117.64 2qi9 s LEU 127 Ca 0.43 -0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 2qi9 s LEU 127 Cb 0.33 -2.65 0.07 0.00 0.03 0.00 0.00 46.19 43.96 2qi9 s LEU 127 CO 0.13 0.00 1.02 -0.94 0.23 0.00 0.00 176.35 176.79 2qi9 s SER 128 N -3.56 4.76 0.25 2.29 1.04 -1.26 -4.83 113.70 112.39 2qi9 s SER 128 Ca 0.33 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 57.16 2qi9 s SER 128 Cb -0.09 -1.07 0.39 0.00 0.10 0.00 0.00 66.02 65.35 2qi9 s SER 128 CO 0.27 -1.64 1.83 1.23 0.98 0.00 0.00 173.24 175.91 2qi9 h GLY 129 N -0.63 1.32 2.00 7.32 0.00 -1.99 -0.23 103.07 110.85 2qi9 h GLY 129 Ca -0.44 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 46.38 2qi9 h GLY 129 CO 0.59 0.18 -0.75 -1.33 0.00 0.00 0.00 176.54 175.24 2qi9 h GLY 130 N 0.88 0.00 1.08 4.60 0.00 -1.91 -2.54 103.07 105.17 2qi9 h GLY 130 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.52 2qi9 h GLY 130 CO -0.22 0.00 -0.76 0.83 0.00 0.00 0.00 176.54 176.39 2qi9 h GLU 131 N 0.00 0.68 -0.42 4.80 5.08 -1.77 -2.68 114.58 120.27 2qi9 h GLU 131 Ca -0.01 -0.61 -0.02 0.00 -1.00 0.00 0.00 59.36 57.72 2qi9 h GLU 131 Cb 1.37 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 2qi9 h GLU 131 CO 0.10 1.22 0.18 2.35 -1.00 0.00 0.00 179.01 181.85 2qi9 h TRP 132 N 0.36 0.62 -0.20 4.33 -0.00 -1.08 -0.64 115.95 119.34 2qi9 h TRP 132 Ca -0.07 -0.04 0.01 0.00 -0.00 0.00 0.00 58.89 58.79 2qi9 h TRP 132 Cb 1.41 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 30.36 2qi9 h TRP 132 CO 0.10 0.53 0.11 0.37 -0.00 0.00 0.00 178.44 179.55 2qi9 h GLN 133 N 0.53 0.22 -0.69 2.65 5.75 -1.51 0.76 115.11 122.83 2qi9 h GLN 133 Ca 0.14 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 2qi9 h GLN 133 Cb 0.16 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 2qi9 h GLN 133 CO -0.01 0.15 0.36 0.00 -2.65 0.00 0.00 178.83 176.67 2qi9 h ARG 134 N 0.23 0.96 -0.54 1.69 3.08 -1.29 -0.16 114.38 118.36 2qi9 h ARG 134 Ca 0.08 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2qi9 h ARG 134 Cb 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2qi9 h ARG 134 CO -0.04 0.72 0.11 0.28 -1.07 0.00 0.00 179.97 179.97 2qi9 h VAL 135 N 0.97 1.25 -0.67 2.04 2.07 -0.45 0.68 116.25 122.13 2qi9 h VAL 135 Ca 0.24 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 2qi9 h VAL 135 Cb 0.05 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2qi9 h VAL 135 CO -0.04 0.33 0.22 0.03 0.02 0.00 0.00 177.57 178.13 2qi9 h ARG 136 N 0.76 1.02 -0.24 1.57 3.08 -0.30 -1.44 114.38 118.83 2qi9 h ARG 136 Ca 0.17 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2qi9 h ARG 136 Cb 0.37 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2qi9 h ARG 136 CO 0.01 0.87 0.03 -0.07 -1.07 0.00 0.00 179.97 179.73 2qi9 h LEU 137 N 0.99 0.38 -0.61 3.04 3.38 -0.67 -2.54 115.31 119.28 2qi9 h LEU 137 Ca 0.22 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2qi9 h LEU 137 Cb 0.26 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2qi9 h LEU 137 CO -0.01 0.55 0.36 0.00 0.09 0.00 0.00 178.44 179.43 2qi9 h ALA 138 N 0.84 0.79 0.16 1.53 0.00 -0.59 -0.15 119.26 121.85 2qi9 h ALA 138 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qi9 h ALA 138 Cb 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qi9 h ALA 138 CO 0.01 0.07 -0.13 0.00 0.00 0.00 0.00 179.25 179.20 2qi9 h ALA 139 N 1.28 -0.91 -1.17 0.00 0.00 -1.17 0.58 119.26 117.87 2qi9 h ALA 139 Ca 0.25 -0.06 0.33 0.00 0.00 0.00 0.00 54.91 55.44 2qi9 h ALA 139 Cb 0.07 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 2qi9 h ALA 139 CO -0.13 -0.91 0.79 0.28 0.00 0.00 0.00 179.25 179.28 2qi9 h VAL 140 N -0.28 0.39 -0.02 0.00 2.07 -1.35 0.50 116.25 117.56 2qi9 h VAL 140 Ca -0.02 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 2qi9 h VAL 140 Cb 0.23 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2qi9 h VAL 140 CO 0.00 0.04 -0.72 0.58 0.02 0.00 0.00 177.57 177.49 2qi9 h VAL 141 N 0.20 1.47 -0.02 2.57 2.07 -0.53 -3.14 116.25 118.87 2qi9 h VAL 141 Ca 0.64 -2.34 -0.20 0.00 0.82 0.00 0.00 66.70 65.62 2qi9 h VAL 141 Cb 2.02 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 34.04 2qi9 h VAL 141 CO -0.22 0.68 -0.86 -0.07 0.02 0.00 0.00 177.57 177.12 2qi9 h LEU 142 N 0.08 0.40 -2.52 2.57 3.38 0.22 -1.40 115.31 118.05 2qi9 h LEU 142 Ca -0.02 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2qi9 h LEU 142 Cb 1.27 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2qi9 h LEU 142 CO 0.10 1.09 -0.01 -0.61 0.09 0.00 0.00 178.44 179.10 2qi9 h GLN 143 N 0.19 0.00 0.00 1.13 4.15 -1.00 -3.34 115.11 116.24 2qi9 h GLN 143 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2qi9 h GLN 143 Cb 1.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.16 2qi9 h GLN 143 CO 0.14 0.01 -0.07 1.51 -1.93 0.00 0.00 178.83 178.49 2qi9 n ILE 144 N -3.14 0.00 -1.60 2.39 3.06 -1.18 -4.79 119.36 114.09 2qi9 n ILE 144 Ca -0.02 -0.14 -0.55 0.00 -2.50 0.00 0.00 62.75 59.54 2qi9 n ILE 144 Cb 0.14 0.84 -0.07 0.00 0.54 0.00 0.00 39.64 41.10 2qi9 n ILE 144 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 2qi9 n THR 145 N -0.37 0.05 0.00 9.51 5.66 -0.53 -4.41 114.28 124.18 2qi9 n THR 145 Ca 0.00 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2qi9 n THR 145 Cb 0.00 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 2qi9 n THR 145 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2qi9 n PRO 146 N 2.82 0.00 0.15 1.09 -0.02 -1.26 -1.31 135.00 136.47 2qi9 n PRO 146 Ca 0.21 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 2qi9 n PRO 146 Cb 0.15 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.45 2qi9 n PRO 146 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2qi9 h GLN 147 N 0.00 0.00 0.00 -0.52 4.20 -1.98 -3.35 115.11 113.46 2qi9 h GLN 147 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qi9 h GLN 147 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2qi9 h GLN 147 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 2qi9 n ALA 148 N -1.91 0.73 -3.67 3.87 0.00 -0.72 -4.98 120.51 113.83 2qi9 n ALA 148 Ca 0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 2qi9 n ALA 148 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 2qi9 n ALA 148 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qi9 s ASN 149 N -0.30 3.65 0.00 0.00 3.84 -0.43 -4.67 114.94 117.03 2qi9 s ASN 149 Ca 0.00 -1.37 0.20 0.00 0.21 0.00 0.00 52.86 51.91 2qi9 s ASN 149 Cb 0.00 -0.65 1.11 0.00 -0.55 0.00 0.00 41.25 41.16 2qi9 s ASN 149 CO 0.00 -0.40 1.62 -0.81 -2.79 0.00 0.00 177.10 174.72 2qi9 n PRO 150 N 5.01 0.45 0.00 0.43 -0.04 -1.26 -2.50 135.00 137.10 2qi9 n PRO 150 Ca -0.05 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 2qi9 n PRO 150 Cb 0.43 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2qi9 n PRO 150 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qi9 n ALA 151 N -1.15 2.58 -2.25 0.55 0.00 -1.26 -4.97 120.51 114.01 2qi9 n ALA 151 Ca 0.12 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 2qi9 n ALA 151 Cb 0.12 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 2qi9 n ALA 151 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qi9 s GLY 152 N -1.56 2.04 0.00 0.00 0.00 -1.04 -3.78 107.32 102.98 2qi9 s GLY 152 Ca 0.20 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.90 2qi9 s GLY 152 CO 0.25 2.32 0.00 -1.06 0.00 0.00 0.00 173.10 174.61 2qi9 n GLN 153 N 4.35 1.20 -4.18 2.90 6.02 0.03 -4.84 117.38 122.87 2qi9 n GLN 153 Ca 0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.90 2qi9 n GLN 153 Cb 0.44 -0.66 -0.16 0.00 1.02 0.00 0.00 30.24 30.87 2qi9 n GLN 153 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2qi9 s LEU 154 N -2.13 1.33 -0.16 1.08 2.96 -0.31 0.09 118.68 121.54 2qi9 s LEU 154 Ca 0.00 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2qi9 s LEU 154 Cb 0.00 -0.49 0.01 0.00 0.50 0.00 0.00 46.19 46.21 2qi9 s LEU 154 CO 0.00 -0.05 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.58 2qi9 s LEU 155 N 0.95 2.31 -0.25 -0.68 2.96 -0.09 -1.20 118.68 122.68 2qi9 s LEU 155 Ca -0.11 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 2qi9 s LEU 155 Cb -0.14 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.05 2qi9 s LEU 155 CO 0.00 0.05 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.27 2qi9 s LEU 156 N 0.99 3.27 -0.17 -0.68 1.43 -0.19 -1.42 118.68 121.90 2qi9 s LEU 156 Ca -0.02 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2qi9 s LEU 156 Cb -0.15 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2qi9 s LEU 156 CO -0.04 -0.14 -0.15 -0.76 0.23 0.00 0.00 176.35 175.48 2qi9 s LEU 157 N 1.33 2.42 -0.46 1.79 1.43 -0.40 -1.06 118.68 123.73 2qi9 s LEU 157 Ca -0.00 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 2qi9 s LEU 157 Cb -0.17 -1.56 0.09 0.00 0.03 0.00 0.00 46.19 44.58 2qi9 s LEU 157 CO -0.04 0.05 0.36 -0.62 0.23 0.00 0.00 176.35 176.33 2qi9 s ASP 158 N 1.01 5.91 -1.17 2.29 -1.08 -0.35 -3.01 116.67 120.27 2qi9 s ASP 158 Ca -0.02 -1.55 -0.03 0.00 -0.52 0.00 0.00 52.55 50.44 2qi9 s ASP 158 Cb -0.15 -2.10 -0.02 0.00 -1.46 0.00 0.00 42.92 39.20 2qi9 s ASP 158 CO -0.03 -0.65 0.90 -0.62 0.52 0.00 0.00 175.17 175.29 2qi9 n GLU 159 N 5.07 -4.66 -0.15 4.34 1.02 -1.26 -3.51 120.64 121.48 2qi9 n GLU 159 Ca -0.11 0.78 -0.01 0.00 -0.02 0.00 0.00 57.16 57.80 2qi9 n GLU 159 Cb 0.42 -5.60 -0.02 0.00 -0.02 0.00 0.00 31.44 26.23 2qi9 n GLU 159 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2qi9 n PRO 160 N -3.91 0.30 -1.43 3.49 -0.04 -1.26 -4.93 135.00 127.22 2qi9 n PRO 160 Ca -0.22 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 2qi9 n PRO 160 Cb 0.65 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 2qi9 n PRO 160 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qi9 n ASN 162 N 2.31 -7.76 0.00 3.54 3.02 -1.26 -4.90 115.26 110.22 2qi9 n ASN 162 Ca 0.04 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 2qi9 n ASN 162 Cb 0.14 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 2qi9 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2qi9 n SER 163 N -0.02 0.00 -4.88 6.41 7.64 -1.26 -4.89 113.62 116.63 2qi9 n SER 163 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2qi9 n SER 163 Cb 0.00 -0.73 -0.05 0.00 -1.01 0.00 0.00 64.21 62.42 2qi9 n SER 163 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qi9 s LEU 164 N 0.00 4.38 0.00 -3.43 1.43 -1.26 -4.10 118.68 115.70 2qi9 s LEU 164 Ca 0.00 0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 53.63 2qi9 s LEU 164 Cb 0.00 -2.60 0.11 0.00 0.03 0.00 0.00 46.19 43.74 2qi9 s LEU 164 CO 0.00 0.28 0.71 -0.90 0.23 0.00 0.00 176.35 176.66 2qi9 n ASP 165 N 1.29 0.36 -0.02 2.29 5.68 -1.26 -4.81 116.55 120.08 2qi9 n ASP 165 Ca -0.13 -1.44 -0.09 0.00 -0.50 0.00 0.00 54.79 52.64 2qi9 n ASP 165 Cb 0.53 -0.51 -0.03 0.00 -1.14 0.00 0.00 41.12 39.97 2qi9 n ASP 165 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2qi9 h VAL 166 N -1.08 0.73 -0.38 2.12 2.07 -1.99 -0.48 116.25 117.24 2qi9 h VAL 166 Ca -0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2qi9 h VAL 166 Cb 0.71 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2qi9 h VAL 166 CO 0.19 0.00 0.22 0.00 0.02 0.00 0.00 177.57 178.00 2qi9 h ALA 167 N 1.07 0.48 0.00 1.67 0.00 -2.00 -1.65 119.26 118.84 2qi9 h ALA 167 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qi9 h ALA 167 Cb 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qi9 h ALA 167 CO -0.21 -0.01 -0.09 1.96 0.00 0.00 0.00 179.25 180.90 2qi9 h GLN 168 N 0.49 0.00 -0.14 0.00 4.20 -1.86 -0.22 115.11 117.57 2qi9 h GLN 168 Ca 0.14 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 2qi9 h GLN 168 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2qi9 h GLN 168 CO -0.02 0.09 -0.37 1.96 -0.67 0.00 0.00 178.83 179.82 2qi9 h GLN 169 N 0.00 0.50 -0.69 1.46 4.20 -0.23 -2.11 115.11 118.25 2qi9 h GLN 169 Ca -0.00 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2qi9 h GLN 169 Cb 0.35 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2qi9 h GLN 169 CO 0.01 0.97 0.41 0.77 -0.67 0.00 0.00 178.83 180.32 2qi9 h SER 170 N 0.12 0.83 -0.65 1.46 0.02 -0.50 0.89 113.55 115.73 2qi9 h SER 170 Ca -0.01 -0.07 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2qi9 h SER 170 Cb 0.98 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 63.24 2qi9 h SER 170 CO 0.08 0.65 0.26 0.00 -1.14 0.00 0.00 176.83 176.68 2qi9 h ALA 171 N 1.21 0.86 -0.48 3.77 0.00 -0.95 0.03 119.26 123.71 2qi9 h ALA 171 Ca 0.25 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 2qi9 h ALA 171 Cb -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qi9 h ALA 171 CO -0.04 -0.17 -0.20 1.25 0.00 0.00 0.00 179.25 180.08 2qi9 h LEU 172 N 0.44 1.01 -0.42 0.00 5.85 -0.60 -2.91 115.31 118.68 2qi9 h LEU 172 Ca 0.33 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2qi9 h LEU 172 Cb 0.42 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2qi9 h LEU 172 CO -0.32 1.18 0.11 0.44 -0.34 0.00 0.00 178.44 179.51 2qi9 h ASP 173 N 0.83 0.08 -0.93 1.25 3.32 0.32 -0.80 116.42 120.50 2qi9 h ASP 173 Ca 0.11 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.32 2qi9 h ASP 173 Cb 0.78 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.33 2qi9 h ASP 173 CO 0.06 0.08 0.60 0.11 -1.72 0.00 0.00 179.24 178.37 2qi9 h LYS 174 N 0.26 0.91 -0.05 3.56 1.57 -0.91 -1.35 116.57 120.56 2qi9 h LYS 174 Ca 0.20 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 2qi9 h LYS 174 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2qi9 h LYS 174 CO -0.23 0.60 -0.72 0.82 -0.57 0.00 0.00 179.45 179.35 2qi9 h ILE 175 N 0.93 1.42 -0.07 1.86 2.04 -1.15 -2.98 117.51 119.56 2qi9 h ILE 175 Ca 0.43 -2.21 -0.17 0.00 1.00 0.00 0.00 64.86 63.91 2qi9 h ILE 175 Cb 0.40 2.17 0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2qi9 h ILE 175 CO -0.19 0.65 -0.62 -0.07 0.00 0.00 0.00 178.15 177.92 2qi9 h LEU 176 N 0.18 0.66 -1.04 1.44 3.38 -0.13 -2.19 115.31 117.61 2qi9 h LEU 176 Ca -0.02 -0.69 -0.07 0.00 0.09 0.00 0.00 57.88 57.19 2qi9 h LEU 176 Cb 1.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2qi9 h LEU 176 CO 0.11 1.25 -0.08 0.77 0.09 0.00 0.00 178.44 180.58 2qi9 h SER 177 N 0.12 0.57 -0.76 -0.43 4.64 -1.41 -0.44 113.55 115.84 2qi9 h SER 177 Ca -0.06 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 2qi9 h SER 177 Cb 1.29 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2qi9 h SER 177 CO 0.13 0.70 0.31 0.00 -0.87 0.00 0.00 176.83 177.09 2qi9 h ALA 178 N 1.37 0.99 -0.33 5.18 0.00 -1.52 0.29 119.26 125.23 2qi9 h ALA 178 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2qi9 h ALA 178 Cb 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qi9 h ALA 178 CO 0.03 0.61 -0.02 -0.07 0.00 0.00 0.00 179.25 179.80 2qi9 h LEU 179 N 1.10 0.60 -1.16 0.00 3.38 -0.76 -2.54 115.31 115.92 2qi9 h LEU 179 Ca 0.25 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2qi9 h LEU 179 Cb 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2qi9 h LEU 179 CO -0.02 0.78 -0.31 0.77 0.09 0.00 0.00 178.44 179.75 2qi9 h SER 180 N 0.40 0.00 0.78 -0.43 4.64 -0.79 -1.56 113.55 116.60 2qi9 h SER 180 Ca 0.09 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 2qi9 h SER 180 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2qi9 h SER 180 CO 0.02 0.31 -0.16 1.56 -0.87 0.00 0.00 176.83 177.69 2qi9 h GLN 181 N 0.00 0.00 -0.61 4.77 4.20 -0.19 -1.74 115.11 121.54 2qi9 h GLN 181 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qi9 h GLN 181 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2qi9 h GLN 181 CO 0.04 0.16 0.00 1.04 -0.67 0.00 0.00 178.83 179.40 2qi9 n GLN 182 N -3.39 2.97 -0.45 1.46 6.02 -0.67 -4.91 117.38 118.41 2qi9 n GLN 182 Ca -0.00 -2.16 0.00 0.00 -0.01 0.00 0.00 57.00 54.82 2qi9 n GLN 182 Cb 0.35 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2qi9 n GLN 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qi9 n GLY 183 N 1.02 0.74 3.74 1.08 0.00 -0.66 -4.95 105.19 106.17 2qi9 n GLY 183 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2qi9 n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qi9 s LEU 184 N 0.00 4.57 -0.14 0.99 2.96 -0.71 -2.29 118.68 124.07 2qi9 s LEU 184 Ca 0.00 1.83 -0.18 0.00 -0.22 0.00 0.00 54.13 55.56 2qi9 s LEU 184 Cb 0.00 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2qi9 s LEU 184 CO 0.00 0.07 0.46 0.00 -1.32 0.00 0.00 176.35 175.55 2qi9 s ALA 185 N -0.64 3.50 -0.10 5.97 0.00 0.11 -2.70 121.76 127.90 2qi9 s ALA 185 Ca 0.43 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.15 2qi9 s ALA 185 Cb -0.24 -2.64 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 2qi9 s ALA 185 CO 0.30 -0.07 -0.22 0.42 0.00 0.00 0.00 175.76 176.19 2qi9 s ILE 186 N 0.79 2.20 0.03 0.00 1.01 -0.69 -0.91 121.20 123.63 2qi9 s ILE 186 Ca 0.24 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.97 2qi9 s ILE 186 Cb -0.15 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2qi9 s ILE 186 CO 0.09 0.56 -0.14 -0.69 0.00 0.00 0.00 174.94 174.75 2qi9 s VAL 187 N 0.32 1.14 0.21 2.92 1.01 -0.51 0.75 120.40 126.24 2qi9 s VAL 187 Ca -0.17 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 60.94 2qi9 s VAL 187 Cb -0.18 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2qi9 s VAL 187 CO 0.08 0.08 0.12 -0.94 0.00 0.00 0.00 175.10 174.44 2qi9 s SER 189 N -0.98 5.28 0.32 3.32 1.04 -1.16 -1.27 113.70 120.25 2qi9 s SER 189 Ca 0.03 -0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.08 2qi9 s SER 189 Cb -0.07 -1.29 -0.07 0.00 0.10 0.00 0.00 66.02 64.69 2qi9 s SER 189 CO 0.01 0.03 0.67 -0.44 0.98 0.00 0.00 173.24 174.49 2qi9 s SER 190 N -3.39 6.60 0.00 7.02 0.01 0.31 -4.70 113.70 119.54 2qi9 s SER 190 Ca 0.31 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.62 2qi9 s SER 190 Cb -0.09 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2qi9 s SER 190 CO 0.23 -0.24 0.14 0.00 0.41 0.00 0.00 173.24 173.77 2qi9 n HIS 191 N -0.73 0.00 -3.64 2.43 1.44 -1.26 -4.96 115.22 108.50 2qi9 n HIS 191 Ca 0.02 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.63 2qi9 n HIS 191 Cb 0.53 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.57 2qi9 n HIS 191 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2qi9 s ASP 192 N -0.58 -0.86 0.12 4.39 -1.08 -1.26 -5.05 116.67 112.35 2qi9 s ASP 192 Ca 0.00 1.48 -0.17 0.00 -0.52 0.00 0.00 52.55 53.34 2qi9 s ASP 192 Cb 0.00 1.40 -0.03 0.00 -1.46 0.00 0.00 42.92 42.84 2qi9 s ASP 192 CO 0.00 -0.24 1.67 -0.07 0.52 0.00 0.00 175.17 177.05 2qi9 h LEU 193 N 6.23 0.48 -1.02 -1.34 3.38 -1.99 -1.97 115.31 119.06 2qi9 h LEU 193 Ca -0.30 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 2qi9 h LEU 193 Cb 1.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2qi9 h LEU 193 CO 0.12 0.51 -0.21 0.78 0.09 0.00 0.00 178.44 179.73 2qi9 h ASN 194 N 0.41 0.44 -0.58 -0.43 2.35 -1.92 -0.80 115.58 115.06 2qi9 h ASN 194 Ca 0.12 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2qi9 h ASN 194 Cb 0.18 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2qi9 h ASN 194 CO -0.01 0.67 0.31 -0.74 -1.65 0.00 0.00 177.43 176.00 2qi9 h HIS 195 N 0.40 0.80 -0.28 1.19 -0.00 -1.91 -1.45 115.15 113.91 2qi9 h HIS 195 Ca 0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 2qi9 h HIS 195 Cb 0.60 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 2qi9 h HIS 195 CO 0.02 0.59 0.11 1.15 -0.00 0.00 0.00 177.93 179.80 2qi9 h THR 196 N 0.78 1.18 -0.72 6.26 2.02 -0.75 0.18 112.91 121.85 2qi9 h THR 196 Ca 0.20 -0.54 0.08 0.00 0.77 0.00 0.00 66.41 66.91 2qi9 h THR 196 Cb 0.06 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 2qi9 h THR 196 CO -0.03 0.19 0.39 -0.07 0.37 0.00 0.00 175.52 176.37 2qi9 h LEU 197 N 0.30 0.56 0.05 2.58 3.38 -0.82 -0.98 115.31 120.38 2qi9 h LEU 197 Ca 0.09 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qi9 h LEU 197 Cb 0.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qi9 h LEU 197 CO -0.01 0.34 -0.02 -0.09 0.09 0.00 0.00 178.44 178.75 2qi9 h ARG 198 N 0.69 -0.06 0.00 1.13 2.43 -1.07 -3.40 114.38 114.10 2qi9 h ARG 198 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2qi9 h ARG 198 Cb 0.28 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2qi9 h ARG 198 CO -0.22 0.57 -0.71 0.72 -1.51 0.00 0.00 179.97 178.82 2qi9 n HIS 199 N -4.77 0.08 -4.07 2.20 8.25 0.60 -4.96 115.22 112.55 2qi9 n HIS 199 Ca -0.08 0.02 -0.24 0.00 -0.26 0.00 0.00 57.72 57.17 2qi9 n HIS 199 Cb 0.32 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 2qi9 n HIS 199 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qi9 s ALA 200 N -3.05 3.66 -0.20 -1.41 0.00 -0.38 -4.88 121.76 115.51 2qi9 s ALA 200 Ca 0.09 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 2qi9 s ALA 200 Cb 0.16 -1.43 -0.09 0.00 0.00 0.00 0.00 23.12 21.77 2qi9 s ALA 200 CO 0.75 0.38 -0.19 0.72 0.00 0.00 0.00 175.76 177.42 2qi9 n HIS 201 N -0.83 0.47 -3.99 0.00 8.25 0.07 -4.73 115.22 114.46 2qi9 n HIS 201 Ca -0.08 0.20 -0.24 0.00 -0.26 0.00 0.00 57.72 57.34 2qi9 n HIS 201 Cb 0.56 -0.80 -0.06 0.00 1.12 0.00 0.00 29.99 30.81 2qi9 n HIS 201 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2qi9 s ARG 202 N -2.53 2.30 -0.27 -0.41 1.81 -0.99 -0.92 118.95 117.94 2qi9 s ARG 202 Ca -0.27 -1.79 -0.24 0.00 -1.72 0.00 0.00 55.73 51.71 2qi9 s ARG 202 Cb 0.06 -2.08 0.08 0.00 -0.45 0.00 0.00 34.95 32.56 2qi9 s ARG 202 CO 0.41 -0.18 0.75 0.00 -0.68 0.00 0.00 175.30 175.60 2qi9 s ALA 203 N -2.59 -1.81 -0.19 2.13 0.00 -0.50 -2.09 121.76 116.71 2qi9 s ALA 203 Ca 0.42 2.06 -0.02 0.00 0.00 0.00 0.00 51.96 54.41 2qi9 s ALA 203 Cb 0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2qi9 s ALA 203 CO 0.23 -0.33 -0.09 -1.58 0.00 0.00 0.00 175.76 173.99 2qi9 s TRP 204 N 0.50 2.89 -0.28 0.00 0.51 -0.46 -2.63 118.94 119.48 2qi9 s TRP 204 Ca -0.01 -0.94 -0.13 0.00 -2.12 0.00 0.00 56.10 52.90 2qi9 s TRP 204 Cb -0.05 -2.00 -0.04 0.00 -0.81 0.00 0.00 33.47 30.56 2qi9 s TRP 204 CO -0.02 -0.48 0.29 -1.17 -0.51 0.00 0.00 176.95 175.06 2qi9 s LEU 205 N 1.11 4.04 0.29 2.99 0.20 -0.72 -0.74 118.68 125.85 2qi9 s LEU 205 Ca 0.01 0.15 0.11 0.00 0.69 0.00 0.00 54.13 55.09 2qi9 s LEU 205 Cb -0.14 -2.29 -0.05 0.00 -0.43 0.00 0.00 46.19 43.27 2qi9 s LEU 205 CO -0.02 -0.13 -0.16 -0.76 -0.29 0.00 0.00 176.35 174.99 2qi9 s LEU 206 N 1.93 2.67 -0.26 -0.68 1.43 0.83 -0.59 118.68 124.01 2qi9 s LEU 206 Ca 0.11 -1.02 -0.08 0.00 -1.03 0.00 0.00 54.13 52.12 2qi9 s LEU 206 Cb -0.16 -1.14 0.12 0.00 0.03 0.00 0.00 46.19 45.04 2qi9 s LEU 206 CO 0.10 -0.00 0.55 -0.75 0.23 0.00 0.00 176.35 176.48 2qi9 s LYS 207 N -3.54 0.48 -2.01 1.70 2.20 0.25 -4.26 119.74 114.55 2qi9 s LYS 207 Ca 0.31 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.14 2qi9 s LYS 207 Cb -0.04 0.59 0.00 0.00 -1.51 0.00 0.00 37.83 36.87 2qi9 s LYS 207 CO 0.16 -0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 2qi9 n GLY 208 N 5.42 1.10 0.59 5.54 0.00 -1.26 -0.87 105.19 115.71 2qi9 n GLY 208 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2qi9 n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi9 n GLY 209 N -0.67 0.59 0.00 -0.02 0.00 0.56 -4.58 105.19 101.07 2qi9 n GLY 209 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2qi9 n GLY 209 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qi9 n LYS 210 N -2.00 0.62 0.00 1.61 4.76 -0.05 -0.52 118.16 122.58 2qi9 n LYS 210 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2qi9 n LYS 210 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2qi9 n LYS 210 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qi9 n LEU 212 N 0.00 0.00 -3.95 -0.35 4.32 0.25 -0.58 117.00 116.69 2qi9 n LEU 212 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 2qi9 n LEU 212 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 2qi9 n LEU 212 CO 0.00 0.00 -0.20 0.00 -1.22 0.00 0.00 177.39 175.97 2qi9 s ALA 213 N -0.98 0.05 -0.28 -1.18 0.00 -1.19 -5.00 121.76 113.18 2qi9 s ALA 213 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 2qi9 s ALA 213 Cb 0.00 0.37 0.08 0.00 0.00 0.00 0.00 23.12 23.57 2qi9 s ALA 213 CO 0.00 -0.43 0.72 0.45 0.00 0.00 0.00 175.76 176.50 2qi9 s SER 214 N -2.76 -0.86 0.00 0.00 0.15 -1.26 -1.75 113.70 107.21 2qi9 s SER 214 Ca 0.04 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.14 2qi9 s SER 214 Cb 0.05 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 2qi9 s SER 214 CO -0.10 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2qi9 n GLY 215 N 3.75 0.73 3.65 9.45 0.00 -1.08 -4.93 105.19 116.76 2qi9 n GLY 215 Ca -0.18 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 2qi9 n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qi9 n ARG 216 N 0.00 1.53 -0.31 1.61 1.74 -1.26 -1.41 116.66 118.56 2qi9 n ARG 216 Ca 0.00 0.55 0.04 0.00 -0.77 0.00 0.00 57.85 57.67 2qi9 n ARG 216 Cb 0.00 -2.19 0.18 0.00 -1.02 0.00 0.00 32.46 29.43 2qi9 n ARG 216 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2qi9 h ARG 217 N 1.65 0.81 0.00 5.56 -0.00 -1.29 -1.55 114.38 119.56 2qi9 h ARG 217 Ca -0.46 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.98 59.43 2qi9 h ARG 217 Cb 1.32 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.97 31.10 2qi9 h ARG 217 CO 0.57 0.54 -0.17 0.93 -0.00 0.00 0.00 179.97 181.84 2qi9 h GLU 218 N 0.84 0.00 0.00 0.08 3.07 -1.89 -0.92 114.58 115.76 2qi9 h GLU 218 Ca 0.42 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.21 2qi9 h GLU 218 Cb 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2qi9 h GLU 218 CO -0.25 0.17 -0.61 0.93 -1.40 0.00 0.00 179.01 177.85 2qi9 h GLU 219 N 0.00 0.00 0.11 2.33 5.08 -1.66 -3.37 114.58 117.07 2qi9 h GLU 219 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 2qi9 h GLU 219 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2qi9 h GLU 219 CO 0.02 0.24 -1.71 0.28 -1.00 0.00 0.00 179.01 176.84 2qi9 h VAL 220 N 0.00 0.80 -1.15 3.13 2.07 -0.87 -3.40 116.25 116.83 2qi9 h VAL 220 Ca -0.03 -2.34 -0.75 0.00 0.82 0.00 0.00 66.70 64.40 2qi9 h VAL 220 Cb 1.25 2.53 -0.13 0.00 -1.52 0.00 0.00 31.29 33.41 2qi9 h VAL 220 CO 0.03 0.75 2.24 0.18 0.02 0.00 0.00 177.57 180.79 2qi9 n LEU 221 N -3.77 6.84 -4.54 2.57 4.77 -0.40 -4.56 117.00 117.92 2qi9 n LEU 221 Ca -0.30 -4.60 -0.30 0.00 -0.03 0.00 0.00 56.01 50.79 2qi9 n LEU 221 Cb 0.95 -1.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.44 2qi9 n LEU 221 CO 0.39 1.42 -0.44 0.42 -1.33 0.00 0.00 177.39 177.84 2qi9 s THR 222 N 0.65 3.18 0.30 -5.08 -4.23 -1.26 -4.93 115.64 104.28 2qi9 s THR 222 Ca 0.42 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.71 2qi9 s THR 222 Cb 0.11 -2.45 0.31 0.00 1.34 0.00 0.00 72.50 71.81 2qi9 s THR 222 CO -0.02 0.17 1.66 1.55 -0.54 0.00 0.00 174.62 177.45 2qi9 h PRO 223 N 3.87 0.26 -0.54 3.99 0.13 -1.92 0.36 132.00 138.16 2qi9 h PRO 223 Ca -0.49 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 2qi9 h PRO 223 Cb 1.17 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2qi9 h PRO 223 CO 0.50 0.17 0.01 -1.00 -0.23 0.00 0.00 178.00 177.46 2qi9 h PRO 224 N 0.27 0.94 -0.30 1.56 0.13 -1.96 0.56 132.00 133.20 2qi9 h PRO 224 Ca 0.58 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 65.37 2qi9 h PRO 224 Cb 1.18 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2qi9 h PRO 224 CO -0.62 0.95 0.02 -0.91 -0.23 0.00 0.00 178.00 177.21 2qi9 h ASN 225 N 0.82 0.51 0.30 1.44 2.35 -1.57 -2.86 115.58 116.58 2qi9 h ASN 225 Ca 0.15 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 2qi9 h ASN 225 Cb 0.51 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 2qi9 h ASN 225 CO 0.02 0.68 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.26 2qi9 h LEU 226 N 0.33 0.00 -0.34 1.61 3.38 -0.88 -2.32 115.31 117.09 2qi9 h LEU 226 Ca 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 2qi9 h LEU 226 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2qi9 h LEU 226 CO 0.01 0.15 -0.41 0.00 0.09 0.00 0.00 178.44 178.28 2qi9 h ALA 227 N 1.85 0.51 -0.35 1.53 0.00 -0.66 -1.32 119.26 120.81 2qi9 h ALA 227 Ca -0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2qi9 h ALA 227 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qi9 h ALA 227 CO 0.02 0.63 -0.23 1.96 0.00 0.00 0.00 179.25 181.64 2qi9 h GLN 228 N 0.68 0.69 0.07 0.00 4.20 -1.23 0.19 115.11 119.72 2qi9 h GLN 228 Ca 0.05 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 2qi9 h GLN 228 Cb 1.01 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2qi9 h GLN 228 CO 0.10 0.86 -0.04 0.00 -0.67 0.00 0.00 178.83 179.08 2qi9 h ALA 229 N 1.14 -0.10 0.00 3.87 0.00 -1.38 -3.37 119.26 119.42 2qi9 h ALA 229 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qi9 h ALA 229 Cb 0.71 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2qi9 h ALA 229 CO 0.05 -0.20 -0.90 0.66 0.00 0.00 0.00 179.25 178.86 2qi9 n TYR 230 N -4.82 0.02 -2.67 0.00 4.02 -0.50 -4.72 117.16 108.48 2qi9 n TYR 230 Ca -0.08 0.01 -0.09 0.00 -0.01 0.00 0.00 57.90 57.72 2qi9 n TYR 230 Cb 0.30 -0.11 0.04 0.00 -0.02 0.00 0.00 39.34 39.56 2qi9 n TYR 230 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qi9 n GLY 231 N 1.48 -0.54 3.26 2.72 0.00 0.66 -5.05 105.19 107.73 2qi9 n GLY 231 Ca 0.04 0.30 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 2qi9 n GLY 231 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qi9 s ASN 233 N -3.20 2.51 0.14 1.61 0.01 -1.26 -5.06 114.94 109.68 2qi9 s ASN 233 Ca 0.28 -0.54 0.06 0.00 -0.71 0.00 0.00 52.86 51.94 2qi9 s ASN 233 Cb -0.04 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.38 2qi9 s ASN 233 CO 0.50 0.15 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.76 2qi9 s PHE 234 N -0.83 1.38 -0.01 2.20 0.40 -1.26 -0.43 117.98 119.43 2qi9 s PHE 234 Ca 0.08 -0.62 0.08 0.00 -0.60 0.00 0.00 56.93 55.87 2qi9 s PHE 234 Cb -0.09 -0.70 -0.02 0.00 0.51 0.00 0.00 43.02 42.71 2qi9 s PHE 234 CO 0.02 0.15 -0.25 0.50 0.70 0.00 0.00 175.22 176.33 2qi9 s ARG 235 N -3.09 1.98 -0.16 0.44 3.52 0.70 -4.63 118.95 117.72 2qi9 s ARG 235 Ca 0.12 -0.93 -0.04 0.00 -0.13 0.00 0.00 55.73 54.75 2qi9 s ARG 235 Cb -0.02 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.38 2qi9 s ARG 235 CO 0.03 0.53 -0.01 0.50 -0.81 0.00 0.00 175.30 175.54 2qi9 s ARG 236 N -0.71 3.69 -0.36 5.12 3.52 -1.26 -1.70 118.95 127.25 2qi9 s ARG 236 Ca 0.10 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 2qi9 s ARG 236 Cb -0.10 -2.98 0.10 0.00 -1.56 0.00 0.00 34.95 30.42 2qi9 s ARG 236 CO -0.00 0.30 0.08 -0.51 -0.81 0.00 0.00 175.30 174.36 2qi9 s LEU 237 N 0.24 4.32 -0.55 -0.88 1.43 -1.26 -5.02 118.68 116.97 2qi9 s LEU 237 Ca -0.01 -2.20 -0.20 0.00 -1.03 0.00 0.00 54.13 50.70 2qi9 s LEU 237 Cb -0.13 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.64 2qi9 s LEU 237 CO 0.02 -0.37 0.72 -1.81 0.23 0.00 0.00 176.35 175.14 2qi9 s ASP 238 N 0.85 6.22 -0.05 2.29 1.01 -1.26 -4.63 116.67 121.11 2qi9 s ASP 238 Ca 0.12 -0.96 0.01 0.00 0.71 0.00 0.00 52.55 52.43 2qi9 s ASP 238 Cb -0.20 -2.32 0.02 0.00 1.01 0.00 0.00 42.92 41.43 2qi9 s ASP 238 CO -0.09 -1.04 -0.06 -0.63 0.21 0.00 0.00 175.17 173.56 2qi9 s ILE 239 N 2.95 0.69 -1.24 0.77 1.01 -0.72 -4.79 121.20 119.89 2qi9 s ILE 239 Ca 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 2qi9 s ILE 239 Cb -0.19 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.59 2qi9 s ILE 239 CO 0.11 0.26 0.68 -0.62 0.00 0.00 0.00 174.94 175.37 2qi9 n GLU 240 N 4.02 -4.98 0.00 2.79 1.02 -1.26 -2.84 120.64 119.39 2qi9 n GLU 240 Ca -0.24 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2qi9 n GLU 240 Cb 0.51 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 26.63 2qi9 n GLU 240 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qi9 n GLY 241 N -1.52 1.87 3.63 0.62 0.00 -1.26 -4.96 105.19 103.56 2qi9 n GLY 241 Ca -0.06 -0.20 -0.47 0.00 0.00 0.00 0.00 46.02 45.29 2qi9 n GLY 241 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qi9 n HIS 242 N 0.00 1.82 -3.64 1.61 8.25 -1.13 -5.01 115.22 117.12 2qi9 n HIS 242 Ca 0.00 0.51 -0.20 0.00 -0.26 0.00 0.00 57.72 57.77 2qi9 n HIS 242 Cb 0.00 -2.40 -0.02 0.00 1.12 0.00 0.00 29.99 28.68 2qi9 n HIS 242 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2qi9 s ARG 243 N -0.02 2.80 0.04 -0.41 0.52 -1.26 -1.75 118.95 118.86 2qi9 s ARG 243 Ca 0.74 -1.26 -0.24 0.00 -0.52 0.00 0.00 55.73 54.46 2qi9 s ARG 243 Cb -0.76 -2.56 0.06 0.00 0.52 0.00 0.00 34.95 32.20 2qi9 s ARG 243 CO 0.48 0.02 0.55 -0.51 0.02 0.00 0.00 175.30 175.86 2qi9 s LEU 245 N -4.08 -0.21 -0.19 2.53 1.43 -1.26 -4.73 118.68 112.16 2qi9 s LEU 245 Ca 0.44 0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 53.69 2qi9 s LEU 245 Cb -0.07 2.23 0.07 0.00 0.03 0.00 0.00 46.19 48.46 2qi9 s LEU 245 CO 0.28 -0.72 0.46 -0.63 0.23 0.00 0.00 176.35 175.98 2qi9 s ILE 246 N -2.33 -0.11 0.50 -0.59 1.01 -0.69 -4.92 121.20 114.06 2qi9 s ILE 246 Ca -0.06 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.45 2qi9 s ILE 246 Cb -0.01 -0.69 -0.06 0.00 0.01 0.00 0.00 42.46 41.71 2qi9 s ILE 246 CO -0.01 0.03 1.27 -0.94 0.00 0.00 0.00 174.94 175.30 2qi9 s SER 247 N 1.61 5.73 -0.05 3.58 1.04 -1.26 -0.22 113.70 124.13 2qi9 s SER 247 Ca -0.09 2.55 -0.10 0.00 0.48 0.00 0.00 55.95 58.79 2qi9 s SER 247 Cb -0.08 -2.62 -0.30 0.00 0.10 0.00 0.00 66.02 63.11 2qi9 s SER 247 CO -0.14 -1.24 0.64 0.74 0.98 0.00 0.00 173.24 174.23 2qi9 h THR 248 N 1.70 0.91 0.00 2.02 2.02 -1.08 -3.45 112.91 115.03 2qi9 h THR 248 Ca -0.50 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.18 2qi9 h THR 248 Cb 1.27 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 2qi9 h THR 248 CO 0.59 0.86 0.00 -0.38 0.37 0.00 0.00 175.52 176.96