#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx9 s VAL 17 N 0.00 4.53 -0.95 1.39 0.11 -0.00 -3.83 120.40 121.64 1xx9 s VAL 17 Ca 0.00 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1xx9 s VAL 17 Cb 0.00 -2.97 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 1xx9 s VAL 17 CO 0.00 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 172.92 1xx9 n GLY 18 N 2.83 0.98 2.87 6.54 0.00 -1.25 -2.42 105.19 114.74 1xx9 n GLY 18 Ca -0.18 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 1xx9 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xx9 n GLY 19 N -1.79 1.12 3.33 -0.02 0.00 -1.26 -4.85 105.19 101.72 1xx9 n GLY 19 Ca -0.09 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 1xx9 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xx9 s THR 20 N -2.02 1.78 0.04 2.61 2.01 0.23 -4.87 115.64 115.43 1xx9 s THR 20 Ca 0.48 -2.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.17 1xx9 s THR 20 Cb -0.03 -1.89 -0.08 0.00 0.01 0.00 0.00 72.50 70.51 1xx9 s THR 20 CO 0.31 -0.41 1.68 0.00 -0.69 0.00 0.00 174.62 175.51 1xx9 s ALA 21 N -2.33 3.66 0.46 7.40 0.00 -1.26 -1.33 121.76 128.35 1xx9 s ALA 21 Ca 0.18 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 1xx9 s ALA 21 Cb -0.04 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1xx9 s ALA 21 CO 0.07 -1.20 0.74 -1.12 0.00 0.00 0.00 175.76 174.25 1xx9 s SER 22 N 2.76 6.25 0.53 0.00 0.01 -0.74 -4.91 113.70 117.60 1xx9 s SER 22 Ca 0.75 0.83 0.08 0.00 1.31 0.00 0.00 55.95 58.91 1xx9 s SER 22 Cb -0.39 -2.18 0.05 0.00 0.21 0.00 0.00 66.02 63.71 1xx9 s SER 22 CO 0.32 -0.54 0.59 0.68 0.41 0.00 0.00 173.24 174.70 1xx9 s VAL 23 N -2.67 2.10 -0.02 3.43 -7.23 -1.26 -4.80 120.40 109.95 1xx9 s VAL 23 Ca 0.46 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 1xx9 s VAL 23 Cb -0.10 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1xx9 s VAL 23 CO 0.43 0.00 1.05 -0.60 -0.31 0.00 0.00 175.10 175.67 1xx9 s ARG 24 N -4.44 4.49 0.00 4.82 3.00 -1.26 -3.21 118.95 122.35 1xx9 s ARG 24 Ca 0.50 1.50 0.00 0.00 -1.00 0.00 0.00 55.73 56.73 1xx9 s ARG 24 Cb -0.04 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.44 1xx9 s ARG 24 CO 0.31 -0.18 0.00 0.41 0.00 0.00 0.00 175.30 175.84 1xx9 n GLY 25 N 3.04 0.70 0.13 8.12 0.00 -1.26 -4.95 105.19 110.97 1xx9 n GLY 25 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 1xx9 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xx9 h GLU 26 N 4.20 0.36 -2.54 1.61 4.81 -1.86 -3.38 114.58 117.78 1xx9 h GLU 26 Ca 0.00 -0.33 -0.60 0.00 -0.13 0.00 0.00 59.36 58.30 1xx9 h GLU 26 Cb 0.00 0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.06 1xx9 h GLU 26 CO 0.00 0.99 -0.77 0.91 -0.73 0.00 0.00 179.01 179.41 1xx9 n TRP 27 N -4.35 1.66 0.29 0.92 7.02 -1.26 -4.95 117.44 116.77 1xx9 n TRP 27 Ca -0.09 -3.90 0.16 0.00 -1.02 0.00 0.00 57.50 52.65 1xx9 n TRP 27 Cb 0.57 -0.33 0.87 0.00 -2.42 0.00 0.00 31.31 30.00 1xx9 n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1xx9 h PRO 28 N 4.99 0.00 -0.00 -0.99 0.13 -1.77 -2.18 132.00 132.18 1xx9 h PRO 28 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1xx9 h PRO 28 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1xx9 h PRO 28 CO 0.61 0.06 -0.20 -2.67 -0.23 0.00 0.00 178.00 175.57 1xx9 n TRP 29 N -3.47 0.00 -2.46 1.56 2.14 -0.93 -2.52 117.44 111.77 1xx9 n TRP 29 Ca -0.02 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.14 1xx9 n TRP 29 Cb 0.18 -0.34 -0.04 0.00 -0.81 0.00 0.00 31.31 30.31 1xx9 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1xx9 s GLN 30 N -2.88 4.56 0.07 -2.67 2.00 -0.82 -0.32 119.66 119.60 1xx9 s GLN 30 Ca 0.16 1.79 -0.04 0.00 -2.00 0.00 0.00 55.36 55.27 1xx9 s GLN 30 Cb 0.19 -3.25 -0.03 0.00 0.80 0.00 0.00 33.01 30.72 1xx9 s GLN 30 CO 0.58 0.04 0.06 0.14 -0.50 0.00 0.00 175.29 175.61 1xx9 s VAL 31 N -0.35 0.18 -0.15 1.34 -7.23 -0.37 -4.47 120.40 109.34 1xx9 s VAL 31 Ca 0.50 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1xx9 s VAL 31 Cb -0.31 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 35.15 1xx9 s VAL 31 CO 0.37 -0.82 -0.13 0.28 -0.31 0.00 0.00 175.10 174.49 1xx9 s THR 32 N -3.91 1.56 -0.31 5.32 -1.32 -0.81 -1.54 115.64 114.62 1xx9 s THR 32 Ca 0.08 -0.67 -0.16 0.00 -1.21 0.00 0.00 61.69 59.73 1xx9 s THR 32 Cb 0.07 -1.49 -0.02 0.00 -1.51 0.00 0.00 72.50 69.55 1xx9 s THR 32 CO -0.09 0.41 0.43 -1.48 -2.21 0.00 0.00 174.62 171.68 1xx9 s LEU 33 N 1.49 4.25 0.16 9.08 2.34 -0.92 -1.14 118.68 133.93 1xx9 s LEU 33 Ca 0.04 0.07 -0.02 0.00 0.06 0.00 0.00 54.13 54.27 1xx9 s LEU 33 Cb -0.13 -2.48 -0.05 0.00 -0.56 0.00 0.00 46.19 42.97 1xx9 s LEU 33 CO -0.10 -0.33 0.36 -1.00 -1.06 0.00 0.00 176.35 174.22 1xx9 s HIS 34 N 2.19 3.48 -0.17 3.48 3.76 0.41 -1.90 115.29 126.54 1xx9 s HIS 34 Ca 0.16 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.50 1xx9 s HIS 34 Cb -0.16 -1.91 0.01 0.00 1.11 0.00 0.00 32.58 31.63 1xx9 s HIS 34 CO 0.11 0.43 -0.17 -0.08 -0.85 0.00 0.00 174.74 174.18 1xx9 s THR 35 N -1.74 2.38 -0.94 1.30 -1.32 -0.70 -0.34 115.64 114.28 1xx9 s THR 35 Ca 0.39 -0.85 -0.02 0.00 -1.21 0.00 0.00 61.69 60.00 1xx9 s THR 35 Cb -0.12 -2.00 0.31 0.00 -1.51 0.00 0.00 72.50 69.18 1xx9 s THR 35 CO 0.27 0.52 1.99 0.35 -2.21 0.00 0.00 174.62 175.54 1xx9 n THR 36 N 4.33 4.86 -3.15 5.08 -2.24 -0.13 -2.36 114.28 120.66 1xx9 n THR 36 Ca -0.20 -5.03 0.03 0.00 -2.27 0.00 0.00 64.05 56.58 1xx9 n THR 36 Cb 0.51 -1.45 -0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1xx9 n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xx9 s SER 37 N -1.06 -1.45 0.00 3.42 0.15 -1.26 -4.75 113.70 108.75 1xx9 s SER 37 Ca 0.46 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1xx9 s SER 37 Cb 0.31 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.50 1xx9 s SER 37 CO -0.26 -0.23 0.00 -0.81 1.20 0.00 0.00 173.24 173.14 1xx9 n PRO 37 N 5.02 0.00 -1.52 5.44 -0.05 -1.26 -5.03 135.00 137.59 1xx9 n PRO 37 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 63.50 63.10 1xx9 n PRO 37 Cb 0.56 0.00 0.01 0.00 -0.05 0.00 0.00 33.50 34.01 1xx9 n PRO 37 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1xx9 n THR 37 N 0.00 2.12 -2.52 0.52 -2.24 -1.26 -4.87 114.28 106.03 1xx9 n THR 37 Ca 0.00 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 1xx9 n THR 37 Cb 0.00 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 67.40 1xx9 n THR 37 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1xx9 s GLN 37 N -1.76 4.30 0.19 -0.78 0.74 -1.25 -4.50 119.66 116.59 1xx9 s GLN 37 Ca 0.63 1.56 -0.06 0.00 0.05 0.00 0.00 55.36 57.55 1xx9 s GLN 37 Cb -0.60 -3.65 -0.02 0.00 1.10 0.00 0.00 33.01 29.84 1xx9 s GLN 37 CO 0.57 -0.56 0.24 -0.98 -0.55 0.00 0.00 175.29 174.01 1xx9 s ARG 37 N 2.85 1.21 -0.17 1.67 1.70 -1.00 -4.94 118.95 120.28 1xx9 s ARG 37 Ca 0.52 -1.37 -0.29 0.00 -0.47 0.00 0.00 55.73 54.12 1xx9 s ARG 37 Cb -0.21 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 1xx9 s ARG 37 CO 0.15 -0.43 1.26 -1.58 -1.08 0.00 0.00 175.30 173.62 1xx9 s HIS 38 N -4.05 2.85 -0.18 5.89 5.65 -1.26 -1.73 115.29 122.46 1xx9 s HIS 38 Ca 0.26 1.01 -0.14 0.00 0.25 0.00 0.00 55.06 56.44 1xx9 s HIS 38 Cb 0.04 -3.51 -0.08 0.00 -1.18 0.00 0.00 32.58 27.86 1xx9 s HIS 38 CO 0.06 -1.68 -0.19 -0.11 -0.65 0.00 0.00 174.74 172.17 1xx9 n LEU 39 N 6.63 1.87 -4.01 8.88 7.94 -0.80 -4.96 117.00 132.56 1xx9 n LEU 39 Ca 0.14 0.48 -0.10 0.00 -1.11 0.00 0.00 56.01 55.42 1xx9 n LEU 39 Cb 0.45 -0.84 -0.05 0.00 0.53 0.00 0.00 43.42 43.50 1xx9 n LEU 39 CO 0.56 -0.16 0.17 0.00 -1.11 0.00 0.00 177.39 176.85 1xx9 s GLY 41 N -3.04 1.76 0.25 0.00 0.00 0.29 -2.17 107.32 104.41 1xx9 s GLY 41 Ca 0.24 -1.39 -0.19 0.00 0.00 0.00 0.00 44.72 43.37 1xx9 s GLY 41 CO 0.10 -1.20 0.64 -0.32 0.00 0.00 0.00 173.10 172.32 1xx9 s GLY 42 N -4.31 -0.04 -0.04 0.20 0.00 -0.59 -3.84 107.32 98.71 1xx9 s GLY 42 Ca 0.52 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.95 1xx9 s GLY 42 CO 0.35 -0.18 -0.11 -0.56 0.00 0.00 0.00 173.10 172.60 1xx9 s SER 43 N -2.91 1.53 -0.33 1.64 0.01 -0.63 -1.24 113.70 111.77 1xx9 s SER 43 Ca 0.12 -0.24 -0.28 0.00 1.31 0.00 0.00 55.95 56.85 1xx9 s SER 43 Cb -0.04 -0.47 0.01 0.00 0.21 0.00 0.00 66.02 65.73 1xx9 s SER 43 CO 0.04 0.08 1.02 -0.63 0.41 0.00 0.00 173.24 174.16 1xx9 s ILE 44 N 0.26 4.55 -0.13 1.44 1.01 0.57 -0.60 121.20 128.30 1xx9 s ILE 44 Ca -0.05 1.59 0.02 0.00 0.00 0.00 0.00 60.65 62.21 1xx9 s ILE 44 Cb -0.11 -4.37 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 1xx9 s ILE 44 CO 0.01 -0.46 0.19 2.30 0.00 0.00 0.00 174.94 176.98 1xx9 n ILE 45 N 5.85 0.00 -3.57 2.92 -5.35 -1.12 -0.76 119.36 117.33 1xx9 n ILE 45 Ca 0.10 -0.46 -0.13 0.00 -0.27 0.00 0.00 62.75 61.99 1xx9 n ILE 45 Cb 0.47 1.01 -0.05 0.00 -1.74 0.00 0.00 39.64 39.34 1xx9 n ILE 45 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1xx9 s GLY 46 N -0.97 -0.40 0.48 3.28 0.00 -1.14 -4.84 107.32 103.74 1xx9 s GLY 46 Ca 0.01 0.38 0.26 0.00 0.00 0.00 0.00 44.72 45.37 1xx9 s GLY 46 CO 0.07 0.09 1.76 -0.57 0.00 0.00 0.00 173.10 174.44 1xx9 h ASN 47 N 2.57 0.00 0.00 1.64 -0.73 -1.97 -2.40 115.58 114.69 1xx9 h ASN 47 Ca -0.32 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 57.73 1xx9 h ASN 47 Cb 1.24 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 39.59 1xx9 h ASN 47 CO 0.42 0.00 -0.75 1.67 -0.37 0.00 0.00 177.43 178.41 1xx9 n GLN 48 N -2.53 0.00 -3.90 6.67 7.27 -1.26 0.05 117.38 123.68 1xx9 n GLN 48 Ca -0.02 -1.50 -0.11 0.00 0.07 0.00 0.00 57.00 55.44 1xx9 n GLN 48 Cb 0.23 -0.06 -0.12 0.00 2.41 0.00 0.00 30.24 32.70 1xx9 n GLN 48 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1xx9 s TRP 51 N 0.00 0.07 -0.03 3.69 0.52 -0.91 -1.74 118.94 120.55 1xx9 s TRP 51 Ca 0.19 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.19 1xx9 s TRP 51 Cb 0.22 -0.07 0.00 0.00 -1.15 0.00 0.00 33.47 32.47 1xx9 s TRP 51 CO -0.10 -0.12 -0.10 0.42 0.02 0.00 0.00 176.95 177.07 1xx9 s ILE 52 N -0.69 0.88 -0.23 2.03 -1.09 -0.57 -2.78 121.20 118.75 1xx9 s ILE 52 Ca -0.08 -0.42 -0.07 0.00 -2.23 0.00 0.00 60.65 57.86 1xx9 s ILE 52 Cb -0.05 -0.78 -0.03 0.00 -1.58 0.00 0.00 42.46 40.03 1xx9 s ILE 52 CO -0.00 0.27 0.05 -0.22 -1.23 0.00 0.00 174.94 173.81 1xx9 s LEU 53 N 0.15 3.42 0.00 2.97 2.96 0.23 -0.88 118.68 127.53 1xx9 s LEU 53 Ca -0.03 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1xx9 s LEU 53 Cb -0.09 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.70 1xx9 s LEU 53 CO 0.01 -0.00 0.00 1.07 -1.32 0.00 0.00 176.35 176.11 1xx9 n THR 54 N 4.69 0.00 -3.49 3.68 5.66 -0.36 -1.61 114.28 122.85 1xx9 n THR 54 Ca -0.16 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.50 1xx9 n THR 54 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.24 1xx9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xx9 s ALA 55 N -1.85 3.65 0.06 1.79 0.00 -1.26 -1.41 121.76 122.74 1xx9 s ALA 55 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 1xx9 s ALA 55 Cb 0.00 -2.35 -0.17 0.00 0.00 0.00 0.00 23.12 20.60 1xx9 s ALA 55 CO 0.00 0.54 1.27 0.00 0.00 0.00 0.00 175.76 177.57 1xx9 h ALA 56 N 3.14 0.25 0.00 0.00 0.00 -1.75 -3.16 119.26 117.73 1xx9 h ALA 56 Ca -0.48 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1xx9 h ALA 56 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xx9 h ALA 56 CO 0.68 0.46 0.00 -2.39 0.00 0.00 0.00 179.25 178.00 1xx9 n HIS 57 N -4.16 0.00 0.35 0.00 1.44 -1.26 -1.59 115.22 109.99 1xx9 n HIS 57 Ca -0.07 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.78 1xx9 n HIS 57 Cb 0.62 -0.20 0.45 0.00 0.12 0.00 0.00 29.99 30.98 1xx9 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xx9 n PHE 59 N -2.79 2.66 -2.72 0.00 3.01 -0.62 -4.93 117.46 112.08 1xx9 n PHE 59 Ca 0.03 -2.24 -0.43 0.00 1.01 0.00 0.00 57.45 55.82 1xx9 n PHE 59 Cb 0.38 -0.95 -0.03 0.00 -0.01 0.00 0.00 39.48 38.86 1xx9 n PHE 59 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1xx9 s TYR 59 N -3.50 2.81 0.00 1.38 5.04 -1.21 -2.87 117.35 119.00 1xx9 s TYR 59 Ca 0.56 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 1xx9 s TYR 59 Cb 0.47 -4.22 0.00 0.00 0.35 0.00 0.00 41.96 38.56 1xx9 s TYR 59 CO 0.04 -1.28 0.00 0.41 -1.34 0.00 0.00 175.55 173.37 1xx9 n GLY 59 N 4.97 1.09 3.46 8.97 0.00 -1.26 -5.07 105.19 117.36 1xx9 n GLY 59 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1xx9 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xx9 s VAL 59 N -2.00 5.02 0.08 1.61 1.01 -1.14 -4.92 120.40 120.06 1xx9 s VAL 59 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1xx9 s VAL 59 Cb 0.00 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 31.99 1xx9 s VAL 59 CO 0.00 -0.57 1.18 1.05 0.00 0.00 0.00 175.10 176.76 1xx9 h GLU 60 N 8.82 0.57 -3.36 2.72 4.11 -1.97 -3.47 114.58 122.00 1xx9 h GLU 60 Ca -0.27 -0.69 -0.14 0.00 0.07 0.00 0.00 59.36 58.33 1xx9 h GLU 60 Cb 1.10 0.22 -0.21 0.00 0.50 0.00 0.00 28.75 30.36 1xx9 h GLU 60 CO 0.86 1.29 -0.43 0.45 0.07 0.00 0.00 179.01 181.25 1xx9 s SER 61 N -7.29 -0.06 0.31 3.06 0.15 -1.26 -5.03 113.70 103.58 1xx9 s SER 61 Ca -0.08 -0.06 0.25 0.00 0.70 0.00 0.00 55.95 56.75 1xx9 s SER 61 Cb 0.07 0.26 1.09 0.00 -1.71 0.00 0.00 66.02 65.73 1xx9 s SER 61 CO 0.91 -0.35 1.74 1.55 1.20 0.00 0.00 173.24 178.29 1xx9 h PRO 62 N 4.35 0.00 -0.00 5.44 0.13 -1.91 -3.16 132.00 136.86 1xx9 h PRO 62 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1xx9 h PRO 62 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1xx9 h PRO 62 CO 0.40 0.00 0.02 0.87 -0.23 0.00 0.00 178.00 179.06 1xx9 h LYS 63 N 0.00 0.00 -0.01 0.86 1.79 -1.96 -1.04 116.57 116.21 1xx9 h LYS 63 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xx9 h LYS 63 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1xx9 h LYS 63 CO 0.00 0.00 -0.27 0.44 -1.08 0.00 0.00 179.45 178.54 1xx9 n ILE 64 N -3.12 0.00 -3.38 1.86 -5.35 -1.19 -4.92 119.36 103.26 1xx9 n ILE 64 Ca -0.03 -0.12 -0.35 0.00 -0.27 0.00 0.00 62.75 61.98 1xx9 n ILE 64 Cb 0.09 0.39 -0.06 0.00 -1.74 0.00 0.00 39.64 38.32 1xx9 n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1xx9 s LEU 65 N -2.52 4.34 -0.03 7.28 1.43 -0.39 -0.96 118.68 127.82 1xx9 s LEU 65 Ca 0.24 1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1xx9 s LEU 65 Cb 0.19 -3.22 0.03 0.00 0.03 0.00 0.00 46.19 43.22 1xx9 s LEU 65 CO 0.53 0.11 0.02 -0.13 0.23 0.00 0.00 176.35 177.11 1xx9 s ARG 66 N -1.93 0.17 -0.26 1.70 0.52 0.54 -4.17 118.95 115.51 1xx9 s ARG 66 Ca 0.37 0.17 -0.08 0.00 -0.52 0.00 0.00 55.73 55.66 1xx9 s ARG 66 Cb -0.15 -0.48 -0.03 0.00 0.52 0.00 0.00 34.95 34.81 1xx9 s ARG 66 CO 0.19 -0.20 0.11 0.08 0.02 0.00 0.00 175.30 175.50 1xx9 s VAL 67 N 1.36 4.62 -0.21 3.52 1.01 -0.41 0.15 120.40 130.45 1xx9 s VAL 67 Ca -0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1xx9 s VAL 67 Cb -0.13 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1xx9 s VAL 67 CO -0.03 0.30 -0.00 -0.31 0.00 0.00 0.00 175.10 175.06 1xx9 s TYR 68 N 1.66 3.03 0.33 5.22 1.51 -0.29 -0.53 117.35 128.28 1xx9 s TYR 68 Ca 0.06 -0.53 0.09 0.00 -1.01 0.00 0.00 57.07 55.68 1xx9 s TYR 68 Cb -0.15 -2.10 -0.05 0.00 -0.11 0.00 0.00 41.96 39.55 1xx9 s TYR 68 CO 0.06 -0.30 0.01 -1.54 -1.11 0.00 0.00 175.55 172.67 1xx9 s SER 69 N 1.12 4.20 -1.44 2.29 1.04 -1.26 -1.93 113.70 117.72 1xx9 s SER 69 Ca 0.02 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 55.47 1xx9 s SER 69 Cb -0.14 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.42 1xx9 s SER 69 CO 0.01 -0.21 0.35 0.61 0.98 0.00 0.00 173.24 174.98 1xx9 n GLY 70 N -0.94 -0.38 3.34 7.32 0.00 -1.25 -4.99 105.19 108.29 1xx9 n GLY 70 Ca -0.04 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1xx9 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xx9 s ILE 71 N -3.04 2.99 -0.25 -0.61 -1.09 -1.26 -5.01 121.20 112.93 1xx9 s ILE 71 Ca 0.17 -0.67 -0.09 0.00 -2.23 0.00 0.00 60.65 57.83 1xx9 s ILE 71 Cb -0.08 -2.27 -0.12 0.00 -1.58 0.00 0.00 42.46 38.42 1xx9 s ILE 71 CO 0.21 0.51 -0.30 -0.11 -1.23 0.00 0.00 174.94 174.02 1xx9 n LEU 72 N 3.79 2.09 -4.49 2.97 7.94 -1.26 -4.91 117.00 123.13 1xx9 n LEU 72 Ca -0.18 0.20 -0.33 0.00 -1.11 0.00 0.00 56.01 54.59 1xx9 n LEU 72 Cb 0.52 -0.77 -0.13 0.00 0.53 0.00 0.00 43.42 43.58 1xx9 n LEU 72 CO 0.30 0.62 -0.41 0.20 -1.11 0.00 0.00 177.39 176.99 1xx9 s ASN 73 N -7.05 4.35 0.46 1.96 0.02 -1.25 -0.63 114.94 112.80 1xx9 s ASN 73 Ca -0.35 -0.16 0.13 0.00 -1.02 0.00 0.00 52.86 51.47 1xx9 s ASN 73 Cb 0.12 -1.28 1.08 0.00 0.02 0.00 0.00 41.25 41.20 1xx9 s ASN 73 CO 0.47 0.28 2.06 1.56 0.02 0.00 0.00 177.10 181.50 1xx9 h GLN 74 N 5.83 0.28 -0.28 -0.60 1.08 -1.03 -1.92 115.11 118.48 1xx9 h GLN 74 Ca -0.40 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.77 1xx9 h GLN 74 Cb 1.18 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 1xx9 h GLN 74 CO 0.54 0.19 0.12 0.66 -0.95 0.00 0.00 178.83 179.39 1xx9 h SER 75 N 0.29 0.34 -0.54 1.46 4.64 -1.95 -1.58 113.55 116.21 1xx9 h SER 75 Ca 0.14 -0.02 0.16 0.00 -0.47 0.00 0.00 61.79 61.59 1xx9 h SER 75 Cb 0.20 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1xx9 h SER 75 CO -0.03 0.31 0.45 -0.33 -0.87 0.00 0.00 176.83 176.36 1xx9 h GLU 76 N 0.38 0.00 -6.45 4.77 5.08 -1.74 -3.38 114.58 113.24 1xx9 h GLU 76 Ca 0.10 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.89 1xx9 h GLU 76 Cb 0.07 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1xx9 h GLU 76 CO -0.01 0.00 1.12 0.42 -1.00 0.00 0.00 179.01 179.54 1xx9 s ILE 77 N -4.83 3.79 0.34 3.13 1.01 -0.60 -4.90 121.20 119.15 1xx9 s ILE 77 Ca -0.05 0.81 0.08 0.00 0.00 0.00 0.00 60.65 61.49 1xx9 s ILE 77 Cb 0.18 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 1xx9 s ILE 77 CO 0.66 -0.65 -0.05 -0.54 0.00 0.00 0.00 174.94 174.36 1xx9 s LYS 78 N 5.09 1.75 0.57 2.79 1.02 -1.26 -4.99 119.74 124.72 1xx9 s LYS 78 Ca 0.66 -1.92 0.34 0.00 0.02 0.00 0.00 55.97 55.07 1xx9 s LYS 78 Cb -0.16 -1.47 1.41 0.00 -0.52 0.00 0.00 37.83 37.09 1xx9 s LYS 78 CO 0.33 0.05 1.67 1.49 -0.92 0.00 0.00 175.35 177.97 1xx9 h GLU 79 N 2.06 0.00 -0.17 1.68 4.81 -1.98 0.31 114.58 121.29 1xx9 h GLU 79 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1xx9 h GLU 79 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1xx9 h GLU 79 CO 0.71 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.52 1xx9 n ASP 80 N -3.79 3.08 -4.72 1.04 2.03 -1.26 -4.96 116.55 107.97 1xx9 n ASP 80 Ca 0.23 -1.97 -0.42 0.00 0.52 0.00 0.00 54.79 53.16 1xx9 n ASP 80 Cb 1.29 -0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 41.56 1xx9 n ASP 80 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1xx9 s THR 81 N -1.80 3.52 0.97 5.18 2.01 0.11 -5.00 115.64 120.63 1xx9 s THR 81 Ca 0.33 1.12 -0.11 0.00 0.31 0.00 0.00 61.69 63.34 1xx9 s THR 81 Cb 0.21 -3.72 0.17 0.00 0.01 0.00 0.00 72.50 69.18 1xx9 s THR 81 CO 0.31 0.10 1.10 -0.94 -0.69 0.00 0.00 174.62 174.50 1xx9 s SER 81 N 0.94 2.62 0.18 3.53 1.04 -1.26 -4.91 113.70 115.85 1xx9 s SER 81 Ca 0.61 1.85 -0.17 0.00 0.48 0.00 0.00 55.95 58.72 1xx9 s SER 81 Cb -0.34 -2.43 0.06 0.00 0.10 0.00 0.00 66.02 63.41 1xx9 s SER 81 CO 0.31 -3.23 0.84 2.22 0.98 0.00 0.00 173.24 174.36 1xx9 n PHE 82 N -4.30 -1.37 -5.15 5.02 1.16 -1.26 -4.87 117.46 106.68 1xx9 n PHE 82 Ca 0.08 -1.15 -0.32 0.00 -1.87 0.00 0.00 57.45 54.20 1xx9 n PHE 82 Cb 0.53 0.56 -0.17 0.00 -1.61 0.00 0.00 39.48 38.80 1xx9 n PHE 82 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1xx9 s PHE 83 N -2.79 2.59 0.60 2.97 0.08 0.31 -4.96 117.98 116.79 1xx9 s PHE 83 Ca 0.18 -1.01 -0.11 0.00 0.12 0.00 0.00 56.93 56.11 1xx9 s PHE 83 Cb -0.03 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 1xx9 s PHE 83 CO 0.05 -0.40 1.01 0.20 -0.10 0.00 0.00 175.22 175.99 1xx9 s GLY 84 N 0.36 1.69 -0.28 4.36 0.00 -1.26 -1.28 107.32 110.90 1xx9 s GLY 84 Ca -0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 44.72 44.40 1xx9 s GLY 84 CO 0.08 0.18 0.06 0.14 0.00 0.00 0.00 173.10 173.56 1xx9 s VAL 85 N -3.11 3.90 0.14 1.40 1.01 -1.26 -1.73 120.40 120.76 1xx9 s VAL 85 Ca 0.55 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1xx9 s VAL 85 Cb -0.11 -2.96 -0.13 0.00 0.00 0.00 0.00 36.38 33.18 1xx9 s VAL 85 CO 0.52 0.16 1.38 -0.61 0.00 0.00 0.00 175.10 176.54 1xx9 h GLN 86 N 8.21 0.58 -1.84 2.72 5.75 0.25 -3.41 115.11 127.38 1xx9 h GLN 86 Ca -0.34 -0.47 -0.00 0.00 -0.15 0.00 0.00 58.65 57.69 1xx9 h GLN 86 Cb 1.14 0.10 -0.22 0.00 1.07 0.00 0.00 27.48 29.57 1xx9 h GLN 86 CO 0.60 1.10 0.29 -2.00 -2.65 0.00 0.00 178.83 176.17 1xx9 s GLU 87 N -3.68 0.81 -0.31 1.69 2.12 -1.05 -4.97 118.70 113.30 1xx9 s GLU 87 Ca -0.08 0.50 -0.07 0.00 0.36 0.00 0.00 54.97 55.68 1xx9 s GLU 87 Cb 0.10 0.39 0.02 0.00 0.26 0.00 0.00 34.13 34.89 1xx9 s GLU 87 CO 0.87 -0.19 0.10 0.42 -0.54 0.00 0.00 175.26 175.92 1xx9 s ILE 88 N -0.49 4.01 -0.33 -3.70 1.01 -1.26 -1.55 121.20 118.90 1xx9 s ILE 88 Ca -0.04 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 1xx9 s ILE 88 Cb -0.02 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.34 1xx9 s ILE 88 CO 0.03 -0.01 0.12 -0.63 0.00 0.00 0.00 174.94 174.45 1xx9 s ILE 89 N 1.49 4.02 -0.16 2.92 1.01 -0.19 -4.98 121.20 125.31 1xx9 s ILE 89 Ca 0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 1xx9 s ILE 89 Cb -0.18 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1xx9 s ILE 89 CO 0.03 -0.10 0.04 -0.63 0.00 0.00 0.00 174.94 174.29 1xx9 s ILE 90 N 1.47 4.64 0.14 2.92 1.01 -1.26 -0.65 121.20 129.46 1xx9 s ILE 90 Ca 0.01 -0.09 -0.35 0.00 0.00 0.00 0.00 60.65 60.21 1xx9 s ILE 90 Cb -0.19 -3.06 -0.15 0.00 0.01 0.00 0.00 42.46 39.08 1xx9 s ILE 90 CO 0.04 0.50 1.45 1.57 0.00 0.00 0.00 174.94 178.50 1xx9 n HIS 91 N 3.21 1.92 0.33 3.97 -0.00 -1.18 -4.82 115.22 118.66 1xx9 n HIS 91 Ca -0.17 0.44 0.22 0.00 -0.00 0.00 0.00 57.72 58.21 1xx9 n HIS 91 Cb 0.53 -2.44 1.16 0.00 -0.00 0.00 0.00 29.99 29.24 1xx9 n HIS 91 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1xx9 h ASP 92 N 5.17 0.00 0.09 0.26 3.32 -1.95 -0.67 116.42 122.64 1xx9 h ASP 92 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1xx9 h ASP 92 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1xx9 h ASP 92 CO 0.83 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 178.26 1xx9 n GLN 93 N -3.12 1.32 -2.32 3.56 6.02 -1.26 -4.91 117.38 116.67 1xx9 n GLN 93 Ca -0.03 -0.74 -0.41 0.00 -0.01 0.00 0.00 57.00 55.82 1xx9 n GLN 93 Cb 0.11 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 1xx9 n GLN 93 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1xx9 s TYR 94 N -2.19 3.35 0.10 1.08 5.04 -0.26 -4.87 117.35 119.60 1xx9 s TYR 94 Ca 0.33 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.45 1xx9 s TYR 94 Cb 0.20 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 39.04 1xx9 s TYR 94 CO 0.40 -1.26 0.00 1.17 -1.34 0.00 0.00 175.55 174.53 1xx9 n LYS 95 N 1.63 0.00 -3.67 4.97 4.81 -1.26 -5.03 118.16 119.61 1xx9 n LYS 95 Ca 0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.30 1xx9 n LYS 95 Cb 0.44 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.34 1xx9 n LYS 95 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1xx9 s MET 96 N -2.00 0.06 0.21 1.64 1.75 -1.26 -5.05 119.30 114.66 1xx9 s MET 96 Ca 0.00 0.61 0.05 0.00 -1.25 0.00 0.00 55.69 55.10 1xx9 s MET 96 Cb 0.00 -0.21 0.61 0.00 2.84 0.00 0.00 34.83 38.06 1xx9 s MET 96 CO 0.00 -0.30 1.03 0.00 -0.65 0.00 0.00 175.02 175.10 1xx9 n ALA 97 N 5.33 0.43 0.25 4.11 0.00 -1.26 0.65 120.51 130.01 1xx9 n ALA 97 Ca -0.05 0.69 0.08 0.00 0.00 0.00 0.00 53.44 54.16 1xx9 n ALA 97 Cb 0.50 -0.56 0.63 0.00 0.00 0.00 0.00 19.45 20.03 1xx9 n ALA 97 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xx9 h GLU 98 N 0.00 0.00 0.00 0.00 3.07 -1.96 -2.35 114.58 113.34 1xx9 h GLU 98 Ca 0.44 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.14 1xx9 h GLU 98 Cb 1.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 1xx9 h GLU 98 CO -0.59 0.05 -0.74 0.77 -1.40 0.00 0.00 179.01 177.09 1xx9 h SER 99 N 0.00 0.00 -0.26 1.42 0.02 -0.17 -3.47 113.55 111.09 1xx9 h SER 99 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xx9 h SER 99 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1xx9 h SER 99 CO 0.01 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.05 1xx9 n GLY 100 N 1.27 0.65 2.37 -3.77 0.00 -0.89 -4.94 105.19 99.88 1xx9 n GLY 100 Ca 0.01 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 1xx9 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xx9 n TYR 101 N 2.27 -1.26 -2.01 1.61 4.02 -1.26 -4.51 117.16 116.03 1xx9 n TYR 101 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1xx9 n TYR 101 Cb 0.00 -2.76 0.00 0.00 -0.02 0.00 0.00 39.34 36.56 1xx9 n TYR 101 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1xx9 n ASP 102 N -1.62 4.41 -3.90 7.72 2.03 -1.26 -4.49 116.55 119.45 1xx9 n ASP 102 Ca -0.15 -2.96 -0.11 0.00 0.52 0.00 0.00 54.79 52.10 1xx9 n ASP 102 Cb 0.59 -1.58 -0.12 0.00 -0.72 0.00 0.00 41.12 39.29 1xx9 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xx9 s ILE 103 N 2.00 0.06 -0.05 5.18 2.07 -1.26 -3.80 121.20 125.39 1xx9 s ILE 103 Ca 0.44 -0.51 -0.23 0.00 -1.41 0.00 0.00 60.65 58.94 1xx9 s ILE 103 Cb 0.12 -0.25 0.05 0.00 0.13 0.00 0.00 42.46 42.50 1xx9 s ILE 103 CO -0.05 -0.28 0.51 0.00 -1.91 0.00 0.00 174.94 173.22 1xx9 s ALA 104 N -0.88 -1.32 0.06 1.50 0.00 -0.50 -3.09 121.76 117.53 1xx9 s ALA 104 Ca -0.10 0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1xx9 s ALA 104 Cb -0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1xx9 s ALA 104 CO 0.00 -0.31 -0.07 -0.51 0.00 0.00 0.00 175.76 174.87 1xx9 s LEU 105 N -1.12 3.17 -0.19 0.00 1.43 0.17 -1.22 118.68 120.92 1xx9 s LEU 105 Ca -0.11 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1xx9 s LEU 105 Cb -0.03 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1xx9 s LEU 105 CO 0.07 0.22 -0.17 -0.76 0.23 0.00 0.00 176.35 175.93 1xx9 s LEU 106 N -1.91 2.25 -0.34 1.79 1.43 -0.06 -1.03 118.68 120.82 1xx9 s LEU 106 Ca 0.20 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.37 1xx9 s LEU 106 Cb -0.11 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 1xx9 s LEU 106 CO 0.12 -0.04 0.61 -0.75 0.23 0.00 0.00 176.35 176.52 1xx9 s LYS 107 N 1.30 3.73 0.67 1.70 2.20 -0.60 -1.51 119.74 127.24 1xx9 s LYS 107 Ca 0.03 0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.59 1xx9 s LYS 107 Cb -0.14 -3.79 -0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1xx9 s LYS 107 CO -0.11 -0.67 1.06 -0.51 -0.36 0.00 0.00 175.35 174.76 1xx9 s LEU 108 N 2.61 3.23 0.11 5.43 1.43 -0.71 0.87 118.68 131.65 1xx9 s LEU 108 Ca 0.23 1.69 0.15 0.00 -1.03 0.00 0.00 54.13 55.17 1xx9 s LEU 108 Cb -0.15 -4.51 -0.11 0.00 0.03 0.00 0.00 46.19 41.46 1xx9 s LEU 108 CO 0.14 -1.40 0.99 -0.33 0.23 0.00 0.00 176.35 175.98 1xx9 h GLU 109 N -0.42 0.00 -5.66 1.70 5.08 -1.67 -3.40 114.58 110.21 1xx9 h GLU 109 Ca -0.45 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.41 1xx9 h GLU 109 Cb 1.21 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 1xx9 h GLU 109 CO 0.57 0.42 -0.71 0.95 -1.00 0.00 0.00 179.01 179.24 1xx9 s THR 110 N -2.88 1.84 -0.04 1.13 -4.23 -1.26 -5.03 115.64 105.17 1xx9 s THR 110 Ca -0.01 -2.20 -0.13 0.00 -1.18 0.00 0.00 61.69 58.17 1xx9 s THR 110 Cb 0.08 -2.30 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 1xx9 s THR 110 CO 0.80 -0.41 0.33 0.42 -0.54 0.00 0.00 174.62 175.22 1xx9 s THR 111 N -2.90 5.16 -0.02 3.99 -4.23 -1.26 -4.82 115.64 111.57 1xx9 s THR 111 Ca 0.27 0.67 -0.30 0.00 -1.18 0.00 0.00 61.69 61.15 1xx9 s THR 111 Cb 0.01 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1xx9 s THR 111 CO 0.11 0.59 1.16 -0.69 -0.54 0.00 0.00 174.62 175.24 1xx9 s VAL 112 N -1.03 4.31 -0.32 2.29 1.01 0.11 -5.00 120.40 121.78 1xx9 s VAL 112 Ca 0.21 1.64 -0.20 0.00 0.00 0.00 0.00 61.98 63.63 1xx9 s VAL 112 Cb -0.15 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1xx9 s VAL 112 CO 0.11 0.05 0.64 0.21 0.00 0.00 0.00 175.10 176.11 1xx9 s ASN 113 N 1.27 6.49 0.19 3.32 2.47 -1.26 -4.84 114.94 122.58 1xx9 s ASN 113 Ca 0.56 0.38 -0.31 0.00 0.42 0.00 0.00 52.86 53.91 1xx9 s ASN 113 Cb -0.25 -2.33 -0.09 0.00 -1.45 0.00 0.00 41.25 37.12 1xx9 s ASN 113 CO 0.24 -0.51 1.43 -0.31 -3.72 0.00 0.00 177.10 174.24 1xx9 s TYR 114 N 2.65 3.12 0.25 0.43 2.02 -1.26 -4.86 117.35 119.70 1xx9 s TYR 114 Ca 0.25 0.96 -0.09 0.00 -0.37 0.00 0.00 57.07 57.82 1xx9 s TYR 114 Cb -0.15 -3.77 -0.01 0.00 -0.40 0.00 0.00 41.96 37.63 1xx9 s TYR 114 CO 0.12 -2.63 0.42 0.95 -1.57 0.00 0.00 175.55 172.85 1xx9 s THR 115 N 0.50 0.00 -1.01 -0.71 -4.23 -1.00 -4.99 115.64 104.19 1xx9 s THR 115 Ca 0.62 -1.53 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1xx9 s THR 115 Cb -0.40 -2.33 0.04 0.00 1.34 0.00 0.00 72.50 71.15 1xx9 s THR 115 CO 0.37 0.00 1.15 -0.67 -0.54 0.00 0.00 174.62 174.93 1xx9 n ASP 116 N -0.52 0.00 0.01 3.99 4.64 -1.26 -1.42 116.55 121.99 1xx9 n ASP 116 Ca -0.01 0.49 0.11 0.00 -1.38 0.00 0.00 54.79 54.01 1xx9 n ASP 116 Cb 0.62 -0.50 -0.11 0.00 -1.04 0.00 0.00 41.12 40.10 1xx9 n ASP 116 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1xx9 n SER 117 N -1.50 0.37 -3.42 1.67 7.64 -1.26 -4.52 113.62 112.60 1xx9 n SER 117 Ca 0.01 -0.16 -0.19 0.00 1.01 0.00 0.00 58.87 59.54 1xx9 n SER 117 Cb 0.06 1.44 -0.10 0.00 -1.01 0.00 0.00 64.21 64.59 1xx9 n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xx9 s GLN 118 N -3.36 0.33 0.12 1.43 -2.07 -0.51 -3.75 119.66 111.86 1xx9 s GLN 118 Ca -0.02 -0.28 0.05 0.00 -1.82 0.00 0.00 55.36 53.29 1xx9 s GLN 118 Cb 0.14 -0.75 -0.04 0.00 -1.09 0.00 0.00 33.01 31.27 1xx9 s GLN 118 CO 0.87 -1.05 -0.13 1.03 -1.32 0.00 0.00 175.29 174.69 1xx9 s ARG 119 N 2.22 1.00 0.35 9.60 0.52 -1.05 -2.38 118.95 129.22 1xx9 s ARG 119 Ca 0.10 -1.25 -0.18 0.00 -0.52 0.00 0.00 55.73 53.89 1xx9 s ARG 119 Cb -0.14 -0.82 -0.10 0.00 0.52 0.00 0.00 34.95 34.41 1xx9 s ARG 119 CO -0.31 0.15 0.82 -1.25 0.02 0.00 0.00 175.30 174.73 1xx9 s PRO 121 N -2.79 4.12 -0.06 3.54 0.04 -1.26 -2.18 135.00 136.41 1xx9 s PRO 121 Ca 0.09 0.86 -0.07 0.00 0.04 0.00 0.00 61.00 61.92 1xx9 s PRO 121 Cb -0.04 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1xx9 s PRO 121 CO 0.02 0.11 0.21 -1.50 0.04 0.00 0.00 177.00 175.89 1xx9 s ILE 122 N -2.00 5.39 0.36 0.56 2.07 0.06 -4.92 121.20 122.72 1xx9 s ILE 122 Ca 0.56 0.23 -0.27 0.00 -1.41 0.00 0.00 60.65 59.76 1xx9 s ILE 122 Cb -0.11 -3.50 -0.09 0.00 0.13 0.00 0.00 42.46 38.89 1xx9 s ILE 122 CO 0.16 0.51 1.18 0.00 -1.91 0.00 0.00 174.94 174.89 1xx9 s LEU 124 N -2.12 3.55 0.59 0.00 1.43 -1.26 -1.00 118.68 119.86 1xx9 s LEU 124 Ca 0.53 1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 54.59 1xx9 s LEU 124 Cb -0.33 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 1xx9 s LEU 124 CO 0.42 -0.63 1.12 -2.84 0.23 0.00 0.00 176.35 174.65 1xx9 s PRO 125 N -4.68 3.15 0.13 1.29 0.02 -1.26 -4.83 135.00 128.83 1xx9 s PRO 125 Ca 0.51 1.53 -0.28 0.00 0.02 0.00 0.00 61.00 62.78 1xx9 s PRO 125 Cb -0.10 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 1xx9 s PRO 125 CO 0.44 -0.99 0.90 -1.12 -0.33 0.00 0.00 177.00 175.90 1xx9 s SER 126 N -2.07 7.47 0.40 2.53 0.01 -1.26 -4.89 113.70 115.88 1xx9 s SER 126 Ca 0.71 1.75 0.19 0.00 1.31 0.00 0.00 55.95 59.90 1xx9 s SER 126 Cb -0.23 -2.56 1.02 0.00 0.21 0.00 0.00 66.02 64.46 1xx9 s SER 126 CO 0.32 0.03 1.51 0.07 0.41 0.00 0.00 173.24 175.59 1xx9 h LYS 127 N 5.13 0.00 0.00 12.44 2.10 -1.94 0.31 116.57 134.61 1xx9 h LYS 127 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1xx9 h LYS 127 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1xx9 h LYS 127 CO 0.70 0.00 -0.36 0.41 -2.00 0.00 0.00 179.45 178.20 1xx9 n GLY 128 N -1.26 -1.42 2.76 0.07 0.00 -1.26 -4.25 105.19 99.82 1xx9 n GLY 128 Ca -0.01 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1xx9 n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xx9 n ASP 129 N -1.81 6.50 0.18 1.61 8.00 0.11 -4.66 116.55 126.49 1xx9 n ASP 129 Ca 0.05 -3.77 0.07 0.00 0.71 0.00 0.00 54.79 51.85 1xx9 n ASP 129 Cb 0.38 -0.88 0.24 0.00 -0.02 0.00 0.00 41.12 40.84 1xx9 n ASP 129 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1xx9 h ARG 130 N 3.09 0.00 -0.37 -1.24 3.08 -1.75 -3.25 114.38 113.93 1xx9 h ARG 130 Ca 0.46 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.25 1xx9 h ARG 130 Cb 0.35 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.22 1xx9 h ARG 130 CO 1.19 0.34 -0.43 0.09 -1.07 0.00 0.00 179.97 180.08 1xx9 n ASN 131 N -3.31 3.20 -4.86 7.04 3.02 -1.26 -5.03 115.26 114.06 1xx9 n ASN 131 Ca 0.01 -3.83 -0.34 0.00 -0.03 0.00 0.00 54.58 50.39 1xx9 n ASN 131 Cb 0.58 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 1xx9 n ASN 131 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xx9 s VAL 132 N -3.75 4.92 -0.23 2.41 0.11 -1.23 -5.07 120.40 117.56 1xx9 s VAL 132 Ca 0.45 0.66 -0.09 0.00 -2.93 0.00 0.00 61.98 60.07 1xx9 s VAL 132 Cb 0.40 -3.69 -0.05 0.00 -1.53 0.00 0.00 36.38 31.51 1xx9 s VAL 132 CO -0.02 0.18 0.13 -0.63 -3.33 0.00 0.00 175.10 171.43 1xx9 s ILE 132 N -1.53 5.08 -0.14 7.04 1.01 -1.26 -5.08 121.20 126.32 1xx9 s ILE 132 Ca 0.39 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 61.06 1xx9 s ILE 132 Cb -0.14 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1xx9 s ILE 132 CO 0.19 0.37 0.09 -0.31 0.00 0.00 0.00 174.94 175.28 1xx9 s TYR 133 N 0.99 3.39 -0.21 3.97 2.02 -1.26 -4.98 117.35 121.28 1xx9 s TYR 133 Ca 0.06 0.32 0.02 0.00 -0.37 0.00 0.00 57.07 57.09 1xx9 s TYR 133 Cb -0.14 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1xx9 s TYR 133 CO 0.04 0.48 0.59 0.25 -1.57 0.00 0.00 175.55 175.34 1xx9 n THR 134 N 2.57 0.07 -3.38 -0.71 -2.24 -1.26 -4.61 114.28 104.71 1xx9 n THR 134 Ca -0.18 -0.53 -0.26 0.00 -2.27 0.00 0.00 64.05 60.80 1xx9 n THR 134 Cb 0.54 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 1xx9 n THR 134 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xx9 n ASP 135 N 0.07 0.78 -4.41 3.42 2.03 -1.26 -5.04 116.55 112.13 1xx9 n ASP 135 Ca 0.01 -2.74 -0.31 0.00 0.52 0.00 0.00 54.79 52.27 1xx9 n ASP 135 Cb 0.06 -0.63 -0.14 0.00 -0.72 0.00 0.00 41.12 39.69 1xx9 n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xx9 s TRP 137 N -0.79 0.93 -0.08 0.00 0.52 0.19 -2.26 118.94 117.45 1xx9 s TRP 137 Ca 0.12 -0.36 -0.00 0.00 0.02 0.00 0.00 56.10 55.88 1xx9 s TRP 137 Cb -0.10 -0.56 -0.03 0.00 -1.15 0.00 0.00 33.47 31.63 1xx9 s TRP 137 CO 0.02 -0.01 -0.06 0.14 0.02 0.00 0.00 176.95 177.07 1xx9 s VAL 138 N -0.91 3.77 0.08 4.03 -7.23 0.18 -1.67 120.40 118.66 1xx9 s VAL 138 Ca -0.02 -0.44 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 1xx9 s VAL 138 Cb -0.08 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1xx9 s VAL 138 CO 0.01 0.58 -0.10 0.42 -0.31 0.00 0.00 175.10 175.70 1xx9 s THR 139 N -0.63 0.89 0.00 5.32 -4.23 -1.23 -2.07 115.64 113.70 1xx9 s THR 139 Ca 0.10 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1xx9 s THR 139 Cb -0.12 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1xx9 s THR 139 CO 0.02 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1xx9 n GLY 140 N 0.77 -0.44 0.99 3.99 0.00 -0.83 -4.42 105.19 105.25 1xx9 n GLY 140 Ca -0.18 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.69 1xx9 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xx9 n TRP 141 N -0.84 0.99 -0.82 1.61 8.01 -1.26 -0.57 117.44 124.56 1xx9 n TRP 141 Ca 0.00 -0.76 -0.30 0.00 -1.31 0.00 0.00 57.50 55.13 1xx9 n TRP 141 Cb 0.00 -0.27 0.24 0.00 -2.01 0.00 0.00 31.31 29.28 1xx9 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1xx9 s GLY 142 N -1.55 1.53 0.98 6.99 0.00 -1.24 -1.22 107.32 112.80 1xx9 s GLY 142 Ca 0.40 -0.68 -0.12 0.00 0.00 0.00 0.00 44.72 44.32 1xx9 s GLY 142 CO 0.12 0.17 0.68 -1.72 0.00 0.00 0.00 173.10 172.35 1xx9 n TYR 143 N -4.92 -0.62 0.39 1.90 4.02 0.47 -1.45 117.16 116.95 1xx9 n TYR 143 Ca 0.10 0.24 0.07 0.00 -0.01 0.00 0.00 57.90 58.30 1xx9 n TYR 143 Cb 0.58 -1.83 -0.10 0.00 -0.02 0.00 0.00 39.34 37.98 1xx9 n TYR 143 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xx9 n ARG 144 N -2.96 1.37 -3.47 -0.72 1.74 -1.25 0.88 116.66 112.24 1xx9 n ARG 144 Ca 0.08 -0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 1xx9 n ARG 144 Cb 0.54 -1.28 -0.04 0.00 -1.02 0.00 0.00 32.46 30.66 1xx9 n ARG 144 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1xx9 s LYS 145 N -2.70 1.17 0.80 5.56 1.02 -1.26 -4.26 119.74 120.07 1xx9 s LYS 145 Ca 0.01 -0.11 -0.14 0.00 0.02 0.00 0.00 55.97 55.75 1xx9 s LYS 145 Cb 0.11 0.54 0.07 0.00 -0.52 0.00 0.00 37.83 38.03 1xx9 s LYS 145 CO 0.63 -0.45 1.15 -0.11 -0.92 0.00 0.00 175.35 175.65 1xx9 n LEU 146 N 0.26 4.16 -2.61 3.17 7.94 -1.26 -2.49 117.00 126.16 1xx9 n LEU 146 Ca -0.18 0.59 -0.21 0.00 -1.11 0.00 0.00 56.01 55.10 1xx9 n LEU 146 Cb 0.61 -1.49 0.01 0.00 0.53 0.00 0.00 43.42 43.09 1xx9 n LEU 146 CO 0.18 -1.80 -0.13 0.54 -1.11 0.00 0.00 177.39 175.07 1xx9 n ARG 147 N -3.07 -3.20 0.00 1.96 1.74 -1.26 -4.98 116.66 107.86 1xx9 n ARG 147 Ca 0.13 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 1xx9 n ARG 147 Cb 0.50 -5.65 0.00 0.00 -1.02 0.00 0.00 32.46 26.29 1xx9 n ARG 147 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xx9 n ASP 148 N -2.12 0.33 -4.04 0.55 4.64 -1.04 -5.13 116.55 109.73 1xx9 n ASP 148 Ca -0.18 0.00 -0.08 0.00 -1.38 0.00 0.00 54.79 53.15 1xx9 n ASP 148 Cb 0.65 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 40.63 1xx9 n ASP 148 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 1xx9 s LYS 149 N 2.85 0.49 0.30 -0.67 -2.85 -1.26 -5.03 119.74 113.56 1xx9 s LYS 149 Ca 0.00 -0.94 -0.30 0.00 -1.00 0.00 0.00 55.97 53.74 1xx9 s LYS 149 Cb 0.00 0.12 -0.12 0.00 -2.06 0.00 0.00 37.83 35.76 1xx9 s LYS 149 CO 0.00 -0.07 1.43 1.51 0.10 0.00 0.00 175.35 178.32 1xx9 n ILE 151 N 0.82 1.37 -2.48 3.79 3.06 -1.26 -4.46 119.36 120.19 1xx9 n ILE 151 Ca -0.19 -0.34 -0.35 0.00 -2.50 0.00 0.00 62.75 59.37 1xx9 n ILE 151 Cb 0.58 -1.67 -0.03 0.00 0.54 0.00 0.00 39.64 39.06 1xx9 n ILE 151 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1xx9 s GLN 152 N -1.01 3.77 -0.10 9.51 -1.52 -0.36 -4.99 119.66 124.96 1xx9 s GLN 152 Ca 0.62 1.44 -0.24 0.00 -1.95 0.00 0.00 55.36 55.23 1xx9 s GLN 152 Cb -0.57 -2.16 -0.28 0.00 -0.22 0.00 0.00 33.01 29.79 1xx9 s GLN 152 CO 0.54 -0.47 0.75 -0.97 -0.25 0.00 0.00 175.29 174.90 1xx9 h ASN 153 N 1.65 0.23 -3.34 5.90 -1.24 -1.92 -3.43 115.58 113.43 1xx9 h ASN 153 Ca -0.49 -0.93 -0.59 0.00 0.71 0.00 0.00 56.30 55.00 1xx9 h ASN 153 Cb 1.23 -0.08 -0.09 0.00 0.73 0.00 0.00 38.32 40.11 1xx9 h ASN 153 CO 0.59 1.27 -0.22 -0.89 -1.29 0.00 0.00 177.43 176.88 1xx9 s THR 154 N -2.34 5.24 0.14 -3.57 2.01 -1.26 -0.46 115.64 115.40 1xx9 s THR 154 Ca -0.18 0.74 -0.33 0.00 0.31 0.00 0.00 61.69 62.23 1xx9 s THR 154 Cb 0.00 -3.73 -0.17 0.00 0.01 0.00 0.00 72.50 68.62 1xx9 s THR 154 CO 0.75 0.34 1.00 -0.11 -0.69 0.00 0.00 174.62 175.91 1xx9 n LEU 155 N 3.79 0.59 -4.74 4.42 7.94 0.20 -4.79 117.00 124.42 1xx9 n LEU 155 Ca -0.09 1.14 -0.29 0.00 -1.11 0.00 0.00 56.01 55.67 1xx9 n LEU 155 Cb 0.52 -1.09 -0.07 0.00 0.53 0.00 0.00 43.42 43.30 1xx9 n LEU 155 CO 0.41 -1.80 -0.29 -1.58 -1.11 0.00 0.00 177.39 173.03 1xx9 s GLN 156 N -0.45 2.71 0.09 1.96 2.00 0.26 -1.79 119.66 124.43 1xx9 s GLN 156 Ca 0.75 -0.84 0.02 0.00 -2.00 0.00 0.00 55.36 53.29 1xx9 s GLN 156 Cb -0.96 -2.59 -0.04 0.00 0.80 0.00 0.00 33.01 30.22 1xx9 s GLN 156 CO 0.54 0.52 -0.08 -1.59 -0.50 0.00 0.00 175.29 174.19 1xx9 s LYS 157 N -2.62 0.77 -0.28 1.67 -2.85 -0.45 -1.97 119.74 114.02 1xx9 s LYS 157 Ca 0.28 -1.17 -0.21 0.00 -1.00 0.00 0.00 55.97 53.87 1xx9 s LYS 157 Cb -0.11 -0.30 0.09 0.00 -2.06 0.00 0.00 37.83 35.45 1xx9 s LYS 157 CO 0.21 0.02 0.81 0.00 0.10 0.00 0.00 175.35 176.49 1xx9 s ALA 158 N -2.86 -1.92 -0.26 0.59 0.00 -0.88 0.77 121.76 117.21 1xx9 s ALA 158 Ca 0.06 2.14 -0.17 0.00 0.00 0.00 0.00 51.96 53.99 1xx9 s ALA 158 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1xx9 s ALA 158 CO -0.02 -0.33 0.46 0.21 0.00 0.00 0.00 175.76 176.07 1xx9 s LYS 159 N 0.86 4.06 -0.04 0.00 2.20 -1.26 -0.64 119.74 124.92 1xx9 s LYS 159 Ca -0.04 0.22 0.06 0.00 -0.36 0.00 0.00 55.97 55.85 1xx9 s LYS 159 Cb -0.05 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1xx9 s LYS 159 CO -0.09 -0.30 -0.22 0.42 -0.36 0.00 0.00 175.35 174.80 1xx9 s ILE 160 N 2.14 1.77 0.35 5.43 1.01 -0.96 -4.99 121.20 125.96 1xx9 s ILE 160 Ca 0.19 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.66 1xx9 s ILE 160 Cb -0.16 -1.50 -0.09 0.00 0.01 0.00 0.00 42.46 40.72 1xx9 s ILE 160 CO 0.09 0.50 1.01 -2.16 0.00 0.00 0.00 174.94 174.38 1xx9 s PRO 161 N -0.19 4.41 0.03 2.79 0.04 -1.26 -4.49 135.00 136.33 1xx9 s PRO 161 Ca -0.00 1.46 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 1xx9 s PRO 161 Cb -0.12 -2.73 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 1xx9 s PRO 161 CO 0.02 0.09 0.76 -0.51 0.04 0.00 0.00 177.00 177.40 1xx9 s LEU 162 N -2.23 4.43 0.18 -3.56 1.02 -1.26 -1.51 118.68 115.75 1xx9 s LEU 162 Ca 0.53 1.42 0.07 0.00 0.02 0.00 0.00 54.13 56.17 1xx9 s LEU 162 Cb -0.22 -3.22 -0.04 0.00 0.02 0.00 0.00 46.19 42.74 1xx9 s LEU 162 CO 0.27 -0.00 0.05 0.68 0.02 0.00 0.00 176.35 177.37 1xx9 s VAL 163 N 0.05 3.96 0.74 -1.59 -7.23 -0.46 -4.95 120.40 110.92 1xx9 s VAL 163 Ca 0.39 -1.34 -0.13 0.00 -1.81 0.00 0.00 61.98 59.09 1xx9 s VAL 163 Cb -0.20 -3.01 0.05 0.00 0.56 0.00 0.00 36.38 33.77 1xx9 s VAL 163 CO 0.22 -0.13 1.12 0.42 -0.31 0.00 0.00 175.10 176.42 1xx9 s THR 164 N -1.78 3.03 0.23 5.32 -4.23 -1.26 -4.36 115.64 112.59 1xx9 s THR 164 Ca 0.29 0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 61.12 1xx9 s THR 164 Cb -0.09 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 71.09 1xx9 s THR 164 CO 0.20 -0.37 1.90 -1.13 -0.54 0.00 0.00 174.62 174.68 1xx9 h ASN 165 N -0.72 0.96 -0.31 3.99 -1.24 -1.96 0.70 115.58 117.00 1xx9 h ASN 165 Ca -0.45 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 56.54 1xx9 h ASN 165 Cb 1.25 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 40.05 1xx9 h ASN 165 CO 0.51 0.69 0.19 -0.08 -1.29 0.00 0.00 177.43 177.45 1xx9 h GLU 166 N 1.13 0.42 -0.07 6.67 4.81 -1.95 -0.51 114.58 125.10 1xx9 h GLU 166 Ca 0.32 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1xx9 h GLU 166 Cb -0.11 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1xx9 h GLU 166 CO -0.08 0.32 0.04 1.49 -0.73 0.00 0.00 179.01 180.05 1xx9 h GLU 167 N 0.41 0.09 -0.60 1.92 4.57 -1.80 -2.26 114.58 116.91 1xx9 h GLU 167 Ca 0.11 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.37 1xx9 h GLU 167 Cb 0.00 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 1xx9 h GLU 167 CO -0.02 0.13 0.24 0.00 -1.18 0.00 0.00 179.01 178.18 1xx9 h GLN 169 N 0.44 0.81 -0.53 0.00 5.75 -0.85 -1.11 115.11 119.64 1xx9 h GLN 169 Ca 0.29 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1xx9 h GLN 169 Cb 0.33 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1xx9 h GLN 169 CO -0.27 0.54 0.25 0.87 -2.65 0.00 0.00 178.83 177.56 1xx9 h LYS 170 N 0.84 0.76 -0.40 1.69 1.57 -0.47 -2.19 116.57 118.37 1xx9 h LYS 170 Ca 0.31 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1xx9 h LYS 170 Cb 0.18 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1xx9 h LYS 170 CO -0.10 0.64 0.13 0.00 -0.57 0.00 0.00 179.45 179.54 1xx9 h ARG 171 N 0.71 0.57 -1.91 3.15 -0.00 -0.51 -3.24 114.38 113.14 1xx9 h ARG 171 Ca 0.18 -0.08 -0.60 0.00 -0.50 0.00 0.00 59.98 58.97 1xx9 h ARG 171 Cb 0.13 -0.10 -0.41 0.00 0.00 0.00 0.00 29.97 29.59 1xx9 h ARG 171 CO -0.02 0.50 -0.56 0.66 0.00 0.00 0.00 179.97 180.55 1xx9 n TYR 172 N -4.35 3.67 -0.21 3.04 4.02 -0.61 -4.87 117.16 117.85 1xx9 n TYR 172 Ca 0.03 -3.46 0.29 0.00 -0.01 0.00 0.00 57.90 54.74 1xx9 n TYR 172 Cb 0.17 -0.35 0.71 0.00 -0.02 0.00 0.00 39.34 39.85 1xx9 n TYR 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xx9 h ARG 173 N 2.83 0.04 -0.01 -0.72 2.47 -1.44 0.22 114.38 117.77 1xx9 h ARG 173 Ca 0.24 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1xx9 h ARG 173 Cb 0.68 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1xx9 h ARG 173 CO 0.87 0.03 0.00 0.41 0.56 0.00 0.00 179.97 181.84 1xx9 n GLY 173 N -1.70 -0.91 3.12 0.04 0.00 -1.26 -4.82 105.19 99.66 1xx9 n GLY 173 Ca 0.20 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1xx9 n GLY 173 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xx9 s HIS 174 N -1.98 0.69 -0.40 1.61 3.76 0.78 -5.12 115.29 114.64 1xx9 s HIS 174 Ca 0.19 -0.96 -0.16 0.00 -0.15 0.00 0.00 55.06 53.99 1xx9 s HIS 174 Cb 0.09 -0.44 0.01 0.00 1.11 0.00 0.00 32.58 33.35 1xx9 s HIS 174 CO 0.15 -0.25 0.35 0.21 -0.85 0.00 0.00 174.74 174.34 1xx9 s LYS 175 N -3.72 3.16 -0.53 1.40 2.20 -1.26 -4.92 119.74 116.08 1xx9 s LYS 175 Ca 0.08 -0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 54.72 1xx9 s LYS 175 Cb 0.05 -3.93 0.11 0.00 -1.51 0.00 0.00 37.83 32.55 1xx9 s LYS 175 CO -0.07 -0.72 0.51 0.42 -0.36 0.00 0.00 175.35 175.13 1xx9 s ILE 176 N 1.88 5.14 0.72 5.43 -1.09 -1.26 -4.98 121.20 127.04 1xx9 s ILE 176 Ca 0.08 -1.25 -0.04 0.00 -2.23 0.00 0.00 60.65 57.22 1xx9 s ILE 176 Cb -0.18 -4.30 0.10 0.00 -1.58 0.00 0.00 42.46 36.51 1xx9 s ILE 176 CO 0.11 -0.82 1.00 0.42 -1.23 0.00 0.00 174.94 174.43 1xx9 s THR 177 N 1.83 2.25 -0.20 2.92 -4.23 -1.26 -4.90 115.64 112.05 1xx9 s THR 177 Ca 0.05 -0.45 0.27 0.00 -1.18 0.00 0.00 61.69 60.38 1xx9 s THR 177 Cb -0.27 -2.80 0.29 0.00 1.34 0.00 0.00 72.50 71.06 1xx9 s THR 177 CO 0.05 0.00 1.82 0.45 -0.54 0.00 0.00 174.62 176.40 1xx9 h HIS 178 N -0.58 0.00 0.00 3.99 3.86 -2.00 -0.95 115.15 119.47 1xx9 h HIS 178 Ca -0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1xx9 h HIS 178 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1xx9 h HIS 178 CO -0.09 0.00 0.00 1.63 0.86 0.00 0.00 177.93 180.33 1xx9 n LYS 179 N -2.50 0.39 -4.38 2.45 5.02 -1.26 -4.68 118.16 113.20 1xx9 n LYS 179 Ca 0.01 0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 56.07 1xx9 n LYS 179 Cb 0.19 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 1xx9 n LYS 179 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1xx9 s MET 180 N -2.48 1.48 -0.01 1.97 -1.94 -0.36 -0.04 119.30 117.92 1xx9 s MET 180 Ca 0.24 -1.37 0.02 0.00 -1.71 0.00 0.00 55.69 52.87 1xx9 s MET 180 Cb 0.15 -1.92 -0.00 0.00 2.01 0.00 0.00 34.83 35.07 1xx9 s MET 180 CO 0.34 0.44 -0.05 -1.50 -0.01 0.00 0.00 175.02 174.24 1xx9 s ILE 181 N -1.21 0.41 0.11 2.53 2.07 -0.31 -4.71 121.20 120.08 1xx9 s ILE 181 Ca 0.16 -0.20 0.09 0.00 -1.41 0.00 0.00 60.65 59.28 1xx9 s ILE 181 Cb -0.10 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 1xx9 s ILE 181 CO 0.07 0.12 -0.17 0.00 -1.91 0.00 0.00 174.94 173.05 1xx9 s ALA 183 N -1.12 -0.10 0.00 0.00 0.00 -0.64 -1.35 121.76 118.54 1xx9 s ALA 183 Ca 0.18 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1xx9 s ALA 183 Cb -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1xx9 s ALA 183 CO 0.10 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1xx9 n GLY 184 N 3.49 2.30 3.73 0.00 0.00 -0.57 0.14 105.19 114.27 1xx9 n GLY 184 Ca -0.18 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 1xx9 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xx9 s TYR 184 N -2.00 3.60 0.24 1.61 2.02 -1.26 -4.63 117.35 116.93 1xx9 s TYR 184 Ca 0.00 1.21 -0.07 0.00 -0.37 0.00 0.00 57.07 57.84 1xx9 s TYR 184 Cb 0.00 -2.74 0.39 0.00 -0.40 0.00 0.00 41.96 39.21 1xx9 s TYR 184 CO 0.00 0.15 1.35 -2.13 -1.57 0.00 0.00 175.55 173.36 1xx9 n ARG 185 N 3.52 -0.08 -0.03 -0.62 3.00 -1.26 0.28 116.66 121.47 1xx9 n ARG 185 Ca -0.03 1.35 0.06 0.00 -0.00 0.00 0.00 57.85 59.23 1xx9 n ARG 185 Cb 0.51 -2.02 0.29 0.00 0.00 0.00 0.00 32.46 31.24 1xx9 n ARG 185 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1xx9 n GLU 186 N -5.41 1.19 0.00 -0.14 0.00 -1.26 -0.00 120.64 115.02 1xx9 n GLU 186 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 57.16 57.00 1xx9 n GLU 186 Cb 0.43 -1.20 0.00 0.00 0.00 0.00 0.00 31.44 30.67 1xx9 n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xx9 n GLY 187 N 0.77 -0.17 0.00 -1.84 0.00 0.79 -4.40 105.19 100.34 1xx9 n GLY 187 Ca 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1xx9 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xx9 n GLY 188 N 0.00 3.12 3.14 -0.02 0.00 -0.73 -4.59 105.19 106.10 1xx9 n GLY 188 Ca 0.00 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 1xx9 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xx9 s LYS 188 N 0.00 1.30 0.00 1.61 1.02 -1.26 -3.82 119.74 118.59 1xx9 s LYS 188 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1xx9 s LYS 188 Cb 0.00 -1.25 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 1xx9 s LYS 188 CO 0.00 0.34 0.00 -3.47 -0.92 0.00 0.00 175.35 171.30 1xx9 n ASP 189 N 2.70 0.00 -4.88 2.83 2.03 -1.02 -4.54 116.55 113.67 1xx9 n ASP 189 Ca -0.15 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.86 1xx9 n ASP 189 Cb 0.54 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.99 1xx9 n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xx9 s ALA 190 N -2.00 2.89 0.20 -1.67 0.00 -1.26 -0.82 121.76 119.09 1xx9 s ALA 190 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 1xx9 s ALA 190 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1xx9 s ALA 190 CO 0.00 -1.12 0.30 0.00 0.00 0.00 0.00 175.76 174.94 1xx9 n LYS 192 N -0.32 1.20 0.00 0.00 4.76 -1.26 -0.86 118.16 121.68 1xx9 n LYS 192 Ca -0.01 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1xx9 n LYS 192 Cb 0.33 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.32 1xx9 n LYS 192 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xx9 n GLY 193 N 4.75 0.76 0.00 0.72 0.00 -1.26 -0.40 105.19 109.77 1xx9 n GLY 193 Ca 0.30 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.42 1xx9 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xx9 n ASP 194 N 0.00 0.81 -4.44 1.61 8.00 -0.04 -3.65 116.55 118.84 1xx9 n ASP 194 Ca 0.00 -0.80 -0.49 0.00 0.71 0.00 0.00 54.79 54.20 1xx9 n ASP 194 Cb 0.00 1.17 -0.04 0.00 -0.02 0.00 0.00 41.12 42.24 1xx9 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xx9 n SER 195 N -1.64 -0.72 0.00 -2.24 7.64 -1.26 0.40 113.62 115.80 1xx9 n SER 195 Ca 0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1xx9 n SER 195 Cb 0.37 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1xx9 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xx9 n GLY 196 N 1.86 2.85 3.74 0.23 0.00 -0.28 0.11 105.19 113.69 1xx9 n GLY 196 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1xx9 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xx9 s GLY 197 N -1.96 2.31 0.42 -0.02 0.00 0.16 -3.14 107.32 105.10 1xx9 s GLY 197 Ca 0.00 0.77 -0.19 0.00 0.00 0.00 0.00 44.72 45.29 1xx9 s GLY 197 CO 0.00 1.15 0.92 2.56 0.00 0.00 0.00 173.10 177.73 1xx9 s PRO 198 N -3.91 4.16 -0.61 2.90 0.04 -1.26 -0.49 135.00 135.83 1xx9 s PRO 198 Ca 0.72 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.81 1xx9 s PRO 198 Cb -0.26 -2.22 0.15 0.00 0.04 0.00 0.00 34.50 32.21 1xx9 s PRO 198 CO 0.42 -0.02 0.38 -1.17 0.04 0.00 0.00 177.00 176.65 1xx9 s LEU 198 N -3.24 4.65 0.25 -3.56 2.96 0.44 -3.52 118.68 116.66 1xx9 s LEU 198 Ca 0.60 -3.29 -0.30 0.00 -0.22 0.00 0.00 54.13 50.93 1xx9 s LEU 198 Cb -0.09 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 44.82 1xx9 s LEU 198 CO 0.16 -0.20 0.98 -0.44 -1.32 0.00 0.00 176.35 175.53 1xx9 s SER 198 N -0.51 7.55 -0.05 3.68 0.01 -0.67 -2.60 113.70 121.12 1xx9 s SER 198 Ca 0.20 2.03 0.02 0.00 1.31 0.00 0.00 55.95 59.51 1xx9 s SER 198 Cb -0.18 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.45 1xx9 s SER 198 CO -0.06 0.08 -0.10 0.00 0.41 0.00 0.00 173.24 173.57 1xx9 s LYS 202 N 0.50 4.09 -0.23 0.00 2.20 0.12 -1.03 119.74 125.39 1xx9 s LYS 202 Ca -0.09 -0.26 -0.13 0.00 -0.36 0.00 0.00 55.97 55.13 1xx9 s LYS 202 Cb -0.13 -3.51 0.07 0.00 -1.51 0.00 0.00 37.83 32.75 1xx9 s LYS 202 CO 0.02 0.11 0.56 -3.38 -0.36 0.00 0.00 175.35 172.29 1xx9 s HIS 202 N 0.92 -0.85 -0.66 4.03 -3.43 -0.65 -4.49 115.29 110.15 1xx9 s HIS 202 Ca 0.08 1.74 -0.01 0.00 -0.80 0.00 0.00 55.06 56.07 1xx9 s HIS 202 Cb -0.13 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 1xx9 s HIS 202 CO 0.03 -0.45 0.10 -1.71 -2.00 0.00 0.00 174.74 170.72 1xx9 n ASN 202 N 4.33 -3.10 0.00 7.38 5.15 -1.26 -2.88 115.26 124.88 1xx9 n ASN 202 Ca -0.21 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 1xx9 n ASN 202 Cb 0.57 -2.24 0.00 0.00 -0.53 0.00 0.00 39.78 37.58 1xx9 n ASN 202 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xx9 n GLU 202 N -1.89 -1.27 -5.04 1.20 -0.58 -1.26 -4.98 120.64 106.83 1xx9 n GLU 202 Ca -0.07 0.32 -0.31 0.00 -0.42 0.00 0.00 57.16 56.67 1xx9 n GLU 202 Cb 0.56 -4.40 -0.15 0.00 -0.57 0.00 0.00 31.44 26.89 1xx9 n GLU 202 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1xx9 s VAL 202 N -1.34 2.27 0.06 2.62 1.01 -1.14 -5.12 120.40 118.75 1xx9 s VAL 202 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 1xx9 s VAL 202 Cb 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 1xx9 s VAL 202 CO 0.00 0.47 0.51 0.26 0.00 0.00 0.00 175.10 176.34 1xx9 s TRP 203 N -0.74 3.75 -0.02 5.22 0.52 -1.26 -1.64 118.94 124.77 1xx9 s TRP 203 Ca 0.11 1.14 0.05 0.00 0.02 0.00 0.00 56.10 57.43 1xx9 s TRP 203 Cb -0.10 -2.40 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1xx9 s TRP 203 CO 0.01 0.59 -0.18 -1.01 0.02 0.00 0.00 176.95 176.38 1xx9 s HIS 204 N -1.15 1.64 -1.02 -1.98 3.76 -0.20 -2.62 115.29 113.71 1xx9 s HIS 204 Ca 0.28 -0.34 -0.21 0.00 -0.15 0.00 0.00 55.06 54.64 1xx9 s HIS 204 Cb -0.18 -1.06 0.08 0.00 1.11 0.00 0.00 32.58 32.53 1xx9 s HIS 204 CO 0.17 -0.06 1.37 -1.17 -0.85 0.00 0.00 174.74 174.21 1xx9 s LEU 209 N -0.33 4.10 0.03 0.89 2.96 -0.17 -1.69 118.68 124.46 1xx9 s LEU 209 Ca 0.05 -1.80 -0.03 0.00 -0.22 0.00 0.00 54.13 52.13 1xx9 s LEU 209 Cb -0.08 -2.51 -0.28 0.00 0.50 0.00 0.00 46.19 43.83 1xx9 s LEU 209 CO -0.00 -1.30 0.94 -0.37 -1.32 0.00 0.00 176.35 174.30 1xx9 h VAL 210 N 6.29 1.26 -3.93 1.68 -1.51 -1.83 -3.40 116.25 114.81 1xx9 h VAL 210 Ca 0.21 -2.88 -0.26 0.00 -1.23 0.00 0.00 66.70 62.54 1xx9 h VAL 210 Cb 1.00 2.81 -0.15 0.00 -2.13 0.00 0.00 31.29 32.82 1xx9 h VAL 210 CO 1.32 0.83 -0.66 -0.83 -1.23 0.00 0.00 177.57 177.01 1xx9 s GLY 211 N -4.86 1.17 -0.11 5.19 0.00 -1.14 -1.82 107.32 105.75 1xx9 s GLY 211 Ca -0.07 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1xx9 s GLY 211 CO 0.86 -1.49 -0.10 -0.42 0.00 0.00 0.00 173.10 171.95 1xx9 s ILE 212 N -3.75 1.15 0.00 0.90 1.01 -1.18 -0.42 121.20 118.90 1xx9 s ILE 212 Ca 0.24 -0.39 -0.34 0.00 0.00 0.00 0.00 60.65 60.16 1xx9 s ILE 212 Cb 0.06 -1.12 -0.13 0.00 0.01 0.00 0.00 42.46 41.28 1xx9 s ILE 212 CO 0.04 0.38 1.75 0.41 0.00 0.00 0.00 174.94 177.52 1xx9 n THR 213 N 4.70 0.35 0.02 2.92 -1.04 0.36 -2.03 114.28 119.55 1xx9 n THR 213 Ca -0.15 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1xx9 n THR 213 Cb 0.50 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 1xx9 n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xx9 n SER 214 N 5.34 0.31 -3.08 8.00 2.88 -1.02 -1.13 113.62 124.92 1xx9 n SER 214 Ca 0.21 0.06 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 1xx9 n SER 214 Cb 0.28 -0.08 0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1xx9 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1xx9 s TRP 215 N -1.33 0.20 0.00 0.66 1.48 -0.83 -4.93 118.94 114.19 1xx9 s TRP 215 Ca 0.00 -0.80 0.00 0.00 -1.06 0.00 0.00 56.10 54.24 1xx9 s TRP 215 Cb 0.00 0.71 0.00 0.00 -1.16 0.00 0.00 33.47 33.02 1xx9 s TRP 215 CO 0.00 -1.48 0.00 0.41 -4.06 0.00 0.00 176.95 171.82 1xx9 n GLY 216 N -0.52 0.56 3.52 3.67 0.00 -1.26 0.62 105.19 111.77 1xx9 n GLY 216 Ca -0.07 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1xx9 n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xx9 s GLU 217 N -2.00 3.20 3.92 1.61 2.12 -1.26 -4.83 118.70 121.46 1xx9 s GLU 217 Ca 0.00 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1xx9 s GLU 217 Cb 0.00 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1xx9 s GLU 217 CO 0.00 -1.94 0.00 0.41 -0.54 0.00 0.00 175.26 173.19 1xx9 n GLY 218 N 5.31 0.70 2.82 -1.50 0.00 -1.26 -4.62 105.19 106.64 1xx9 n GLY 218 Ca 0.01 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1xx9 n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xx9 n ALA 220 N 3.83 -0.95 -1.87 0.00 0.00 -1.26 -4.93 120.51 115.33 1xx9 n ALA 220 Ca -0.23 0.05 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 1xx9 n ALA 220 Cb 0.53 -1.65 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 1xx9 n ALA 220 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xx9 s GLN 221 N -5.44 3.69 0.39 0.00 -0.21 -1.26 -1.78 119.66 115.04 1xx9 s GLN 221 Ca 0.17 0.79 -0.26 0.00 0.02 0.00 0.00 55.36 56.07 1xx9 s GLN 221 Cb -0.09 -2.10 -0.11 0.00 1.00 0.00 0.00 33.01 31.71 1xx9 s GLN 221 CO 0.21 -0.48 1.24 -2.13 -2.12 0.00 0.00 175.29 172.00 1xx9 n ARG 222 N -2.44 1.92 -4.42 2.91 0.63 -1.26 -2.83 116.66 111.17 1xx9 n ARG 222 Ca 0.06 0.68 -0.40 0.00 -0.92 0.00 0.00 57.85 57.26 1xx9 n ARG 222 Cb 0.54 -2.30 -0.07 0.00 0.45 0.00 0.00 32.46 31.08 1xx9 n ARG 222 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1xx9 n GLU 223 N 0.27 -1.30 -3.27 -0.14 1.02 1.00 -4.89 120.64 113.32 1xx9 n GLU 223 Ca 0.06 0.19 -0.16 0.00 -0.02 0.00 0.00 57.16 57.23 1xx9 n GLU 223 Cb 0.38 -4.80 -0.07 0.00 -0.02 0.00 0.00 31.44 26.93 1xx9 n GLU 223 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1xx9 s ARG 224 N -7.12 0.77 0.65 3.49 0.52 -1.13 -4.77 118.95 111.36 1xx9 s ARG 224 Ca 0.80 -1.12 -0.18 0.00 -0.52 0.00 0.00 55.73 54.71 1xx9 s ARG 224 Cb -0.46 -0.72 -0.01 0.00 0.52 0.00 0.00 34.95 34.28 1xx9 s ARG 224 CO 0.98 -1.25 1.24 -2.14 0.02 0.00 0.00 175.30 174.15 1xx9 s PRO 225 N 1.09 2.60 0.57 3.54 0.02 -1.26 -4.32 135.00 137.24 1xx9 s PRO 225 Ca 0.22 1.90 -0.18 0.00 0.02 0.00 0.00 61.00 62.96 1xx9 s PRO 225 Cb -0.09 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1xx9 s PRO 225 CO -0.06 -1.52 1.12 0.20 -0.33 0.00 0.00 177.00 176.41 1xx9 s GLY 226 N -1.63 2.51 -0.06 0.52 0.00 0.12 -4.69 107.32 104.09 1xx9 s GLY 226 Ca 0.79 0.75 0.03 0.00 0.00 0.00 0.00 44.72 46.29 1xx9 s GLY 226 CO 0.39 1.10 -0.15 0.14 0.00 0.00 0.00 173.10 174.58 1xx9 s VAL 227 N -1.92 2.95 0.18 1.40 1.01 0.20 -1.62 120.40 122.61 1xx9 s VAL 227 Ca 0.71 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 62.01 1xx9 s VAL 227 Cb -0.23 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1xx9 s VAL 227 CO 0.30 0.58 -0.13 -0.31 0.00 0.00 0.00 175.10 175.54 1xx9 s TYR 228 N -0.52 1.57 -0.09 5.22 1.51 0.56 -1.97 117.35 123.63 1xx9 s TYR 228 Ca 0.07 -0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 55.22 1xx9 s TYR 228 Cb -0.12 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1xx9 s TYR 228 CO 0.01 0.27 1.06 0.99 -1.11 0.00 0.00 175.55 176.77 1xx9 s THR 229 N -2.96 4.64 -0.91 -0.71 2.01 -0.86 -1.16 115.64 115.69 1xx9 s THR 229 Ca 0.20 1.92 -0.24 0.00 0.31 0.00 0.00 61.69 63.88 1xx9 s THR 229 Cb -0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1xx9 s THR 229 CO 0.05 0.01 1.66 0.21 -0.69 0.00 0.00 174.62 175.85 1xx9 s ASN 230 N 1.19 5.85 0.28 3.53 3.84 0.94 -3.13 114.94 127.44 1xx9 s ASN 230 Ca 0.50 -0.91 0.01 0.00 0.21 0.00 0.00 52.86 52.68 1xx9 s ASN 230 Cb -0.20 -2.56 0.64 0.00 -0.55 0.00 0.00 41.25 38.58 1xx9 s ASN 230 CO 0.19 -2.08 1.71 0.58 -2.79 0.00 0.00 177.10 174.71 1xx9 h VAL 231 N 6.90 0.54 -1.02 -5.21 2.07 -1.63 -1.75 116.25 116.15 1xx9 h VAL 231 Ca 0.07 -0.15 0.25 0.00 0.82 0.00 0.00 66.70 67.70 1xx9 h VAL 231 Cb 1.03 0.07 -0.11 0.00 -1.52 0.00 0.00 31.29 30.76 1xx9 h VAL 231 CO 1.31 0.08 0.63 0.58 0.02 0.00 0.00 177.57 180.19 1xx9 h VAL 232 N 0.43 0.55 0.00 2.57 2.07 -1.84 0.19 116.25 120.21 1xx9 h VAL 232 Ca 0.51 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.86 1xx9 h VAL 232 Cb 0.91 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1xx9 h VAL 232 CO -0.49 0.09 0.00 -0.62 0.02 0.00 0.00 177.57 176.58 1xx9 n GLU 233 N -4.76 0.07 -0.11 1.57 -0.58 -0.66 -2.75 120.64 113.43 1xx9 n GLU 233 Ca 0.26 0.27 0.04 0.00 -0.42 0.00 0.00 57.16 57.31 1xx9 n GLU 233 Cb 0.79 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 30.21 1xx9 n GLU 233 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1xx9 n TYR 234 N -1.36 0.00 -0.21 -0.32 4.01 0.68 -4.84 117.16 115.11 1xx9 n TYR 234 Ca 0.03 -0.52 -0.03 0.00 -0.16 0.00 0.00 57.90 57.21 1xx9 n TYR 234 Cb 0.07 -0.08 0.07 0.00 -0.31 0.00 0.00 39.34 39.09 1xx9 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1xx9 h VAL 235 N 1.58 1.01 -0.07 -0.72 2.07 -1.47 0.06 116.25 118.71 1xx9 h VAL 235 Ca 0.00 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1xx9 h VAL 235 Cb 0.90 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1xx9 h VAL 235 CO 0.00 0.12 -0.43 0.44 0.02 0.00 0.00 177.57 177.72 1xx9 h ASP 236 N 0.68 0.17 -0.31 0.57 3.45 -1.88 -1.52 116.42 117.58 1xx9 h ASP 236 Ca 0.26 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 1xx9 h ASP 236 Cb 0.10 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 1xx9 h ASP 236 CO -0.14 0.59 -0.02 -0.25 -1.57 0.00 0.00 179.24 177.85 1xx9 h TRP 237 N 0.13 0.61 0.16 4.55 7.01 -1.74 -1.56 115.95 125.12 1xx9 h TRP 237 Ca 0.01 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 1xx9 h TRP 237 Cb 0.83 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1xx9 h TRP 237 CO 0.01 0.70 -0.10 0.82 -2.79 0.00 0.00 178.44 177.08 1xx9 h ILE 238 N 0.35 0.80 -0.87 2.65 2.04 -0.72 -0.23 117.51 121.52 1xx9 h ILE 238 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1xx9 h ILE 238 Cb 0.47 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1xx9 h ILE 238 CO 0.02 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.68 1xx9 h LEU 239 N -0.25 0.98 0.05 1.44 3.38 -1.26 -0.93 115.31 118.73 1xx9 h LEU 239 Ca -0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xx9 h LEU 239 Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xx9 h LEU 239 CO 0.02 0.70 -0.03 -0.08 0.09 0.00 0.00 178.44 179.14 1xx9 h GLU 240 N 1.15 -0.07 0.00 1.13 4.22 -0.97 -0.56 114.58 119.49 1xx9 h GLU 240 Ca 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.77 1xx9 h GLU 240 Cb -0.08 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xx9 h GLU 240 CO -0.08 0.20 -0.04 0.87 -2.18 0.00 0.00 179.01 177.79 1xx9 h LYS 241 N -0.34 0.00 -0.01 1.92 1.79 -0.61 -3.01 116.57 116.30 1xx9 h LYS 241 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1xx9 h LYS 241 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1xx9 h LYS 241 CO 0.01 0.04 -0.08 0.25 -1.08 0.00 0.00 179.45 178.59 1xx9 n THR 242 N -3.29 0.00 -1.62 -0.16 -2.24 -0.39 -5.04 114.28 101.54 1xx9 n THR 242 Ca -0.02 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 1xx9 n THR 242 Cb 0.18 1.20 0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1xx9 n THR 242 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xx9 n GLN 243 N 0.33 1.34 0.00 -0.78 10.64 -0.23 -5.05 117.38 123.64 1xx9 n GLN 243 Ca 0.06 0.48 0.00 0.00 -1.83 0.00 0.00 57.00 55.71 1xx9 n GLN 243 Cb 0.26 -2.08 0.00 0.00 -0.86 0.00 0.00 30.24 27.56 1xx9 n GLN 243 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23