#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1awh s VAL 17 N 0.00 2.79 -1.23 1.39 1.01 0.34 -3.81 120.40 120.89 1awh s VAL 17 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1awh s VAL 17 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1awh s VAL 17 CO 0.00 0.18 0.85 -0.62 0.00 0.00 0.00 175.10 175.52 1awh n GLU 18 N 0.94 -5.27 -2.64 2.72 -0.58 -1.26 -2.14 120.64 112.40 1awh n GLU 18 Ca 0.00 0.73 -0.07 0.00 -0.42 0.00 0.00 57.16 57.40 1awh n GLU 18 Cb 0.42 -5.49 -0.02 0.00 -0.57 0.00 0.00 31.44 25.78 1awh n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1awh n GLY 19 N -1.36 3.95 3.76 0.62 0.00 -1.25 -4.83 105.19 106.09 1awh n GLY 19 Ca -0.27 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.43 1awh n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1awh s SER 20 N -1.67 4.79 0.30 1.61 0.01 -0.57 -4.88 113.70 113.29 1awh s SER 20 Ca 0.03 -0.74 -0.29 0.00 1.31 0.00 0.00 55.95 56.25 1awh s SER 20 Cb 0.00 -0.74 -0.10 0.00 0.21 0.00 0.00 66.02 65.39 1awh s SER 20 CO 0.02 -0.35 1.20 -1.81 0.41 0.00 0.00 173.24 172.72 1awh s ASP 21 N -3.89 7.02 0.54 2.44 1.11 -1.26 -0.25 116.67 122.38 1awh s ASP 21 Ca 0.39 2.47 -0.18 0.00 0.18 0.00 0.00 52.55 55.41 1awh s ASP 21 Cb -0.03 -2.64 -0.06 0.00 1.07 0.00 0.00 42.92 41.27 1awh s ASP 21 CO 0.24 -0.34 1.06 0.00 1.18 0.00 0.00 175.17 177.30 1awh s ALA 22 N -1.07 2.79 0.00 5.23 0.00 0.12 -4.77 121.76 124.05 1awh s ALA 22 Ca 0.47 0.54 -0.25 0.00 0.00 0.00 0.00 51.96 52.72 1awh s ALA 22 Cb -0.36 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1awh s ALA 22 CO 0.46 -0.60 0.78 -1.21 0.00 0.00 0.00 175.76 175.19 1awh s GLU 23 N -3.63 4.49 -0.08 0.00 2.02 -1.26 -4.93 118.70 115.31 1awh s GLU 23 Ca 0.66 1.06 -0.38 0.00 0.02 0.00 0.00 54.97 56.33 1awh s GLU 23 Cb -0.17 -3.40 -0.16 0.00 0.10 0.00 0.00 34.13 30.49 1awh s GLU 23 CO 0.29 0.17 1.53 -0.89 0.02 0.00 0.00 175.26 176.37 1awh n ILE 24 N 3.27 0.14 0.00 -1.63 5.41 -1.26 0.30 119.36 125.59 1awh n ILE 24 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1awh n ILE 24 Cb 0.51 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 1awh n ILE 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1awh n GLY 25 N 3.29 3.01 0.39 7.39 0.00 -1.26 -4.96 105.19 113.04 1awh n GLY 25 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 1awh n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1awh h MET 26 N 0.11 -0.09 -2.42 1.61 -1.53 -0.54 -3.34 114.93 108.73 1awh h MET 26 Ca 0.00 0.01 -0.60 0.00 -3.44 0.00 0.00 59.70 55.67 1awh h MET 26 Cb 0.00 0.02 -0.41 0.00 -0.55 0.00 0.00 31.60 30.66 1awh h MET 26 CO 0.00 -0.06 -0.74 0.45 0.14 0.00 0.00 176.91 176.70 1awh n SER 27 N -5.41 2.33 0.00 1.39 2.88 -1.26 -4.95 113.62 108.59 1awh n SER 27 Ca 0.06 -3.10 0.11 0.00 -1.33 0.00 0.00 58.87 54.60 1awh n SER 27 Cb 0.36 -0.67 0.63 0.00 -0.75 0.00 0.00 64.21 63.77 1awh n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1awh n PRO 28 N 1.51 0.87 0.00 -1.46 -0.04 -1.26 -2.64 135.00 131.97 1awh n PRO 28 Ca 0.26 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1awh n PRO 28 Cb 0.43 -1.38 0.30 0.00 -0.04 0.00 0.00 33.50 32.80 1awh n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1awh n TRP 29 N -0.88 0.00 -2.50 0.54 2.14 -0.85 -1.28 117.44 114.61 1awh n TRP 29 Ca 0.16 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.30 1awh n TRP 29 Cb 0.07 -0.06 -0.02 0.00 -0.81 0.00 0.00 31.31 30.49 1awh n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1awh s GLN 30 N -2.35 3.75 -0.23 -2.67 2.00 -1.08 0.82 119.66 119.90 1awh s GLN 30 Ca 0.26 0.85 -0.01 0.00 -2.00 0.00 0.00 55.36 54.46 1awh s GLN 30 Cb 0.19 -3.92 0.02 0.00 0.80 0.00 0.00 33.01 30.11 1awh s GLN 30 CO 0.47 -1.34 -0.10 0.08 -0.50 0.00 0.00 175.29 173.90 1awh s VAL 31 N 4.65 2.64 0.20 1.34 1.01 -0.49 -4.23 120.40 125.52 1awh s VAL 31 Ca 0.53 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 1awh s VAL 31 Cb -0.11 -2.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 1awh s VAL 31 CO 0.29 0.30 1.56 -0.32 0.00 0.00 0.00 175.10 176.93 1awh s MET 32 N 1.31 4.21 -0.13 2.72 1.75 -1.24 0.15 119.30 128.07 1awh s MET 32 Ca 0.01 2.39 -0.07 0.00 -1.25 0.00 0.00 55.69 56.78 1awh s MET 32 Cb -0.16 -3.12 -0.04 0.00 2.84 0.00 0.00 34.83 34.35 1awh s MET 32 CO -0.07 -0.58 0.12 -1.17 -0.65 0.00 0.00 175.02 172.66 1awh s LEU 33 N 0.67 4.22 0.09 4.11 0.20 0.85 -2.45 118.68 126.37 1awh s LEU 33 Ca 0.68 0.37 0.06 0.00 0.69 0.00 0.00 54.13 55.92 1awh s LEU 33 Cb -0.44 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.25 1awh s LEU 33 CO 0.35 0.36 -0.15 -0.36 -0.29 0.00 0.00 176.35 176.26 1awh s PHE 34 N -0.71 1.33 -0.07 5.38 0.40 -0.63 -0.50 117.98 123.18 1awh s PHE 34 Ca 0.13 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1awh s PHE 34 Cb -0.12 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 1awh s PHE 34 CO 0.03 0.10 0.13 0.50 0.70 0.00 0.00 175.22 176.67 1awh s ARG 35 N -2.01 3.34 -0.12 0.44 3.52 -0.36 -2.20 118.95 121.57 1awh s ARG 35 Ca 0.02 -0.26 -0.11 0.00 -0.13 0.00 0.00 55.73 55.25 1awh s ARG 35 Cb -0.09 -3.08 -0.10 0.00 -1.56 0.00 0.00 34.95 30.13 1awh s ARG 35 CO 0.03 0.73 0.29 0.87 -0.81 0.00 0.00 175.30 176.40 1awh h LYS 36 N 4.56 0.00 -4.21 5.12 1.57 -0.71 -3.23 116.57 119.67 1awh h LYS 36 Ca -0.52 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.67 1awh h LYS 36 Cb 1.21 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.13 1awh h LYS 36 CO 0.61 0.39 -0.78 -1.12 -0.57 0.00 0.00 179.45 177.98 1awh s SER 37 N -5.82 3.66 0.94 0.86 0.01 -1.26 -1.11 113.70 110.98 1awh s SER 37 Ca -0.08 -1.10 -0.14 0.00 1.31 0.00 0.00 55.95 55.95 1awh s SER 37 Cb -0.01 -1.07 0.16 0.00 0.21 0.00 0.00 66.02 65.31 1awh s SER 37 CO 0.27 -0.25 1.17 -2.84 0.41 0.00 0.00 173.24 172.00 1awh s PRO 37 N 1.48 0.86 -0.22 12.44 0.02 -1.26 -5.07 135.00 143.26 1awh s PRO 37 Ca -0.05 0.11 -0.14 0.00 0.02 0.00 0.00 61.00 60.94 1awh s PRO 37 Cb -0.18 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 1awh s PRO 37 CO -0.07 -2.35 0.32 1.14 -0.33 0.00 0.00 177.00 175.71 1awh s GLN 38 N -5.43 4.13 -0.07 5.54 -2.07 -0.27 -4.61 119.66 116.88 1awh s GLN 38 Ca 0.66 0.04 -0.06 0.00 -1.82 0.00 0.00 55.36 54.19 1awh s GLN 38 Cb -0.12 -3.54 0.02 0.00 -1.09 0.00 0.00 33.01 28.28 1awh s GLN 38 CO 0.53 -0.02 0.17 -1.83 -1.32 0.00 0.00 175.29 172.82 1awh s GLU 39 N 1.27 0.19 -0.03 9.60 -1.05 -1.22 -4.99 118.70 122.47 1awh s GLU 39 Ca 0.15 0.27 -0.30 0.00 -0.15 0.00 0.00 54.97 54.94 1awh s GLU 39 Cb -0.14 0.05 -0.08 0.00 -0.44 0.00 0.00 34.13 33.52 1awh s GLU 39 CO 0.07 -0.05 1.97 -1.17 0.95 0.00 0.00 175.26 177.03 1awh s LEU 40 N 0.28 4.21 -0.10 1.83 0.20 -1.26 -1.22 118.68 122.62 1awh s LEU 40 Ca -0.02 2.44 -0.19 0.00 0.69 0.00 0.00 54.13 57.06 1awh s LEU 40 Cb -0.03 -3.53 -0.28 0.00 -0.43 0.00 0.00 46.19 41.93 1awh s LEU 40 CO -0.01 -1.22 0.63 -0.07 -0.29 0.00 0.00 176.35 175.39 1awh h LEU 41 N 11.48 0.35 -7.86 -0.68 3.38 -1.12 -3.48 115.31 117.37 1awh h LEU 41 Ca -0.46 -0.86 0.13 0.00 0.09 0.00 0.00 57.88 56.77 1awh h LEU 41 Cb 1.23 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1awh h LEU 41 CO 0.95 1.51 0.47 0.00 0.09 0.00 0.00 178.44 181.46 1awh s GLY 43 N -3.15 1.70 0.30 0.00 0.00 0.82 -0.11 107.32 106.88 1awh s GLY 43 Ca 0.17 -2.20 -0.19 0.00 0.00 0.00 0.00 44.72 42.49 1awh s GLY 43 CO 0.05 -1.70 0.72 0.00 0.00 0.00 0.00 173.10 172.17 1awh s ALA 44 N -2.71 -1.06 0.09 3.20 0.00 0.40 -3.85 121.76 117.83 1awh s ALA 44 Ca 0.63 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1awh s ALA 44 Cb -0.05 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1awh s ALA 44 CO 0.40 -1.02 -0.18 -1.54 0.00 0.00 0.00 175.76 173.41 1awh s SER 45 N -2.96 2.21 -0.55 0.00 1.04 0.93 -1.40 113.70 112.97 1awh s SER 45 Ca 0.13 -0.65 -0.24 0.00 0.48 0.00 0.00 55.95 55.66 1awh s SER 45 Cb -0.06 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.00 1awh s SER 45 CO 0.08 0.01 0.94 -0.22 0.98 0.00 0.00 173.24 175.04 1awh s LEU 46 N -1.81 4.10 -0.18 2.42 0.20 0.24 -0.63 118.68 123.03 1awh s LEU 46 Ca 0.03 -0.34 0.02 0.00 0.69 0.00 0.00 54.13 54.54 1awh s LEU 46 Cb -0.10 -2.84 -0.22 0.00 -0.43 0.00 0.00 46.19 42.60 1awh s LEU 46 CO 0.03 -1.22 0.12 2.30 -0.29 0.00 0.00 176.35 177.29 1awh n ILE 47 N 6.20 1.59 -4.46 6.68 -5.35 -0.58 -1.64 119.36 121.81 1awh n ILE 47 Ca 0.02 -0.67 -0.23 0.00 -0.27 0.00 0.00 62.75 61.60 1awh n ILE 47 Cb 0.47 -1.35 -0.10 0.00 -1.74 0.00 0.00 39.64 36.92 1awh n ILE 47 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1awh s SER 48 N -6.51 3.14 0.33 7.28 0.15 -0.96 -4.63 113.70 112.51 1awh s SER 48 Ca -0.24 -1.16 0.12 0.00 0.70 0.00 0.00 55.95 55.38 1awh s SER 48 Cb 0.08 -0.24 0.67 0.00 -1.71 0.00 0.00 66.02 64.82 1awh s SER 48 CO 0.72 -0.24 1.26 -0.90 1.20 0.00 0.00 173.24 175.28 1awh n ASP 49 N -0.63 0.32 -0.00 5.45 5.68 -1.26 -1.09 116.55 125.02 1awh n ASP 49 Ca -0.05 0.54 0.04 0.00 -0.50 0.00 0.00 54.79 54.81 1awh n ASP 49 Cb 0.63 -0.47 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 1awh n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1awh n ARG 50 N -2.04 2.93 -4.89 0.11 1.74 -1.26 -0.88 116.66 112.37 1awh n ARG 50 Ca -0.01 -0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.72 1awh n ARG 50 Cb 0.36 -1.01 -0.14 0.00 -1.02 0.00 0.00 32.46 30.65 1awh n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1awh s TRP 51 N -2.08 2.71 0.13 -1.55 0.52 -0.25 -0.21 118.94 118.22 1awh s TRP 51 Ca 0.01 -0.28 0.10 0.00 0.02 0.00 0.00 56.10 55.95 1awh s TRP 51 Cb 0.06 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 1awh s TRP 51 CO 0.37 0.09 -0.23 0.08 0.02 0.00 0.00 176.95 177.27 1awh s VAL 52 N -0.48 2.50 -0.02 4.03 1.01 -0.06 -1.52 120.40 125.86 1awh s VAL 52 Ca 0.06 -1.69 0.01 0.00 0.00 0.00 0.00 61.98 60.36 1awh s VAL 52 Cb -0.12 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1awh s VAL 52 CO 0.02 0.07 -0.04 -0.22 0.00 0.00 0.00 175.10 174.92 1awh s LEU 53 N -2.17 1.69 0.00 3.92 0.20 0.20 -1.04 118.68 121.47 1awh s LEU 53 Ca 0.16 -0.09 -0.02 0.00 0.69 0.00 0.00 54.13 54.87 1awh s LEU 53 Cb -0.10 -0.31 0.01 0.00 -0.43 0.00 0.00 46.19 45.36 1awh s LEU 53 CO 0.08 0.01 0.47 1.07 -0.29 0.00 0.00 176.35 177.69 1awh n THR 54 N 3.44 0.00 -3.04 3.68 5.66 0.11 -0.05 114.28 124.08 1awh n THR 54 Ca -0.19 -1.61 -0.40 0.00 -3.05 0.00 0.00 64.05 58.80 1awh n THR 54 Cb 0.55 1.02 -0.05 0.00 -1.55 0.00 0.00 70.33 70.29 1awh n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1awh s ALA 55 N -2.65 3.41 0.37 1.79 0.00 -1.26 0.49 121.76 123.91 1awh s ALA 55 Ca 0.26 0.24 0.12 0.00 0.00 0.00 0.00 51.96 52.58 1awh s ALA 55 Cb -0.01 -2.93 0.90 0.00 0.00 0.00 0.00 23.12 21.09 1awh s ALA 55 CO 0.19 0.14 1.86 0.00 0.00 0.00 0.00 175.76 177.94 1awh h ALA 56 N 5.38 1.95 0.00 0.00 0.00 -1.68 0.17 119.26 125.07 1awh h ALA 56 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1awh h ALA 56 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1awh h ALA 56 CO 0.69 -0.21 0.00 -2.39 0.00 0.00 0.00 179.25 177.34 1awh n HIS 57 N -4.56 0.00 0.14 0.00 1.44 -1.26 -0.49 115.22 110.49 1awh n HIS 57 Ca 0.18 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.90 1awh n HIS 57 Cb 0.55 -0.24 0.14 0.00 0.12 0.00 0.00 29.99 30.56 1awh n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1awh h LEU 59 N 0.00 0.00 -8.19 0.00 3.38 -0.94 -3.46 115.31 106.10 1awh h LEU 59 Ca -0.01 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.26 1awh h LEU 59 Cb 1.22 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.69 1awh h LEU 59 CO 0.08 0.50 -0.56 -0.22 0.09 0.00 0.00 178.44 178.33 1awh s LEU 60 N -7.13 4.59 0.20 1.67 2.96 -0.95 -0.89 118.68 119.14 1awh s LEU 60 Ca -0.09 -1.24 -0.00 0.00 -0.22 0.00 0.00 54.13 52.58 1awh s LEU 60 Cb 0.01 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1awh s LEU 60 CO 0.13 -0.39 0.11 -0.47 -1.32 0.00 0.00 176.35 174.41 1awh s TYR 60 N 1.42 1.21 0.00 5.38 5.04 0.10 -4.31 117.35 126.19 1awh s TYR 60 Ca 0.00 -1.30 0.00 0.00 -2.44 0.00 0.00 57.07 53.33 1awh s TYR 60 Cb -0.20 -0.63 0.00 0.00 0.35 0.00 0.00 41.96 41.48 1awh s TYR 60 CO 0.03 -0.54 0.00 -2.30 -1.34 0.00 0.00 175.55 171.40 1awh n PRO 60 N -0.29 0.00 -0.49 4.97 -0.02 -1.26 -3.06 135.00 134.86 1awh n PRO 60 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 1awh n PRO 60 Cb 0.66 0.00 0.28 0.00 -0.02 0.00 0.00 33.50 34.42 1awh n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1awh n TRP 60 N 0.00 1.12 -0.28 6.00 7.02 -1.26 -4.93 117.44 125.11 1awh n TRP 60 Ca 0.00 -0.70 0.00 0.00 -1.02 0.00 0.00 57.50 55.78 1awh n TRP 60 Cb 0.00 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 28.64 1awh n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1awh n ASP 60 N 0.31 -0.83 -4.60 -0.99 8.00 -1.17 -4.91 116.55 112.36 1awh n ASP 60 Ca 0.21 0.00 -0.61 0.00 0.71 0.00 0.00 54.79 55.10 1awh n ASP 60 Cb 0.82 -1.30 -0.09 0.00 -0.02 0.00 0.00 41.12 40.54 1awh n ASP 60 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1awh n LYS 60 N -0.05 0.48 -2.91 -1.24 5.02 -1.25 -4.85 118.16 113.36 1awh n LYS 60 Ca 0.00 0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.32 1awh n LYS 60 Cb 0.07 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1awh n LYS 60 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1awh n ASN 60 N 5.77 -1.93 -4.82 4.39 2.85 -1.17 0.02 115.26 120.39 1awh n ASN 60 Ca 0.36 -3.05 -0.33 0.00 -0.11 0.00 0.00 54.58 51.45 1awh n ASN 60 Cb 0.03 0.98 -0.03 0.00 1.24 0.00 0.00 39.78 42.01 1awh n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1awh s PHE 60 N 0.13 3.20 0.36 1.20 0.08 -0.06 -4.96 117.98 117.92 1awh s PHE 60 Ca 0.33 1.52 0.03 0.00 0.12 0.00 0.00 56.93 58.93 1awh s PHE 60 Cb 0.18 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.67 1awh s PHE 60 CO -0.19 -0.66 0.11 0.95 -0.10 0.00 0.00 175.22 175.34 1awh s THR 60 N -2.39 0.72 0.06 0.64 -4.23 -1.26 -4.75 115.64 104.43 1awh s THR 60 Ca 0.62 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1awh s THR 60 Cb -0.13 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 71.26 1awh s THR 60 CO 0.28 0.00 0.28 -0.62 -0.54 0.00 0.00 174.62 174.03 1awh n GLU 61 N -0.76 -0.01 -2.27 3.99 4.71 -1.26 0.12 120.64 125.15 1awh n GLU 61 Ca -0.03 0.27 -0.30 0.00 -0.01 0.00 0.00 57.16 57.09 1awh n GLU 61 Cb 0.65 -0.43 0.01 0.00 -1.01 0.00 0.00 31.44 30.67 1awh n GLU 61 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1awh n ASN 62 N -3.91 5.41 -0.00 1.62 5.03 -1.26 -3.82 115.26 118.33 1awh n ASN 62 Ca 0.05 -3.75 0.02 0.00 0.87 0.00 0.00 54.58 51.76 1awh n ASN 62 Cb 0.15 -0.59 -0.02 0.00 -1.02 0.00 0.00 39.78 38.30 1awh n ASN 62 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1awh n ASP 63 N -0.54 2.16 -4.15 6.41 9.92 0.32 -5.02 116.55 125.65 1awh n ASP 63 Ca 0.43 -0.29 -0.28 0.00 -0.53 0.00 0.00 54.79 54.12 1awh n ASP 63 Cb 0.61 1.08 -0.16 0.00 -0.64 0.00 0.00 41.12 42.01 1awh n ASP 63 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1awh s LEU 64 N -2.71 1.93 0.00 0.64 1.43 -1.23 0.06 118.68 118.80 1awh s LEU 64 Ca 0.00 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1awh s LEU 64 Cb 0.03 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.17 1awh s LEU 64 CO 0.15 0.15 0.09 0.00 0.23 0.00 0.00 176.35 176.97 1awh n LEU 65 N 3.28 0.00 -3.71 1.79 -0.00 -0.94 -4.53 117.00 112.89 1awh n LEU 65 Ca -0.19 -1.42 -0.18 0.00 -0.00 0.00 0.00 56.01 54.22 1awh n LEU 65 Cb 0.53 0.07 -0.17 0.00 -0.00 0.00 0.00 43.42 43.85 1awh n LEU 65 CO 0.26 -0.31 -0.35 -0.69 -0.00 0.00 0.00 177.39 176.30 1awh s VAL 66 N -1.56 -0.07 -0.70 1.47 1.01 -1.17 -1.60 120.40 117.78 1awh s VAL 66 Ca 0.07 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 1awh s VAL 66 Cb -0.01 -0.15 0.17 0.00 0.00 0.00 0.00 36.38 36.40 1awh s VAL 66 CO 0.05 0.15 0.67 -0.13 0.00 0.00 0.00 175.10 175.84 1awh s ARG 67 N 1.76 3.31 0.41 2.72 0.52 -1.03 -1.79 118.95 124.85 1awh s ARG 67 Ca -0.00 -2.02 -0.24 0.00 -0.52 0.00 0.00 55.73 52.95 1awh s ARG 67 Cb -0.12 -4.39 -0.09 0.00 0.52 0.00 0.00 34.95 30.87 1awh s ARG 67 CO -0.03 -1.35 1.07 0.42 0.02 0.00 0.00 175.30 175.43 1awh s ILE 68 N 1.09 3.62 0.00 1.52 1.01 0.22 -3.65 121.20 125.01 1awh s ILE 68 Ca 0.12 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1awh s ILE 68 Cb -0.19 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1awh s ILE 68 CO -0.03 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1awh n GLY 69 N 0.37 2.92 3.87 6.18 0.00 -1.26 -1.05 105.19 116.22 1awh n GLY 69 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1awh n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1awh s LYS 70 N -0.93 3.79 -0.22 1.61 -2.85 -1.26 -4.65 119.74 115.23 1awh s LYS 70 Ca 0.00 0.43 -0.10 0.00 -1.00 0.00 0.00 55.97 55.30 1awh s LYS 70 Cb 0.00 -2.43 -0.18 0.00 -2.06 0.00 0.00 37.83 33.16 1awh s LYS 70 CO 0.00 0.03 -0.03 1.58 0.10 0.00 0.00 175.35 177.02 1awh n HIS 71 N -1.10 0.52 -2.93 1.78 -0.00 -1.26 -4.90 115.22 107.33 1awh n HIS 71 Ca 0.02 0.16 -0.35 0.00 -0.00 0.00 0.00 57.72 57.55 1awh n HIS 71 Cb 0.54 -1.06 -0.06 0.00 -0.00 0.00 0.00 29.99 29.40 1awh n HIS 71 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1awh s SER 72 N -7.01 7.07 0.13 0.26 0.01 -1.26 -0.72 113.70 112.17 1awh s SER 72 Ca -0.32 1.60 -0.12 0.00 1.31 0.00 0.00 55.95 58.42 1awh s SER 72 Cb 0.10 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.76 1awh s SER 72 CO 0.60 -0.14 1.43 -0.09 0.41 0.00 0.00 173.24 175.45 1awh h ARG 73 N 2.75 0.89 0.00 12.44 2.43 -1.66 -3.41 114.38 127.81 1awh h ARG 73 Ca -0.48 -0.52 -0.03 0.00 -0.81 0.00 0.00 59.98 58.14 1awh h ARG 73 Cb 1.19 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1awh h ARG 73 CO 0.64 1.17 -0.67 0.25 -1.51 0.00 0.00 179.97 179.85 1awh n THR 74 N -4.05 1.31 -1.15 0.20 -2.24 -1.26 -5.02 114.28 102.08 1awh n THR 74 Ca -0.04 0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.62 1awh n THR 74 Cb 0.59 -1.96 -0.11 0.00 -2.10 0.00 0.00 70.33 66.75 1awh n THR 74 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1awh n ARG 75 N -3.96 0.00 -1.61 -0.78 0.00 -1.26 -4.78 116.66 104.27 1awh n ARG 75 Ca -0.10 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.32 1awh n ARG 75 Cb 0.32 -1.17 -0.03 0.00 0.00 0.00 0.00 32.46 31.58 1awh n ARG 75 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1awh n TYR 76 N 7.90 2.09 -3.73 -0.14 4.19 -1.26 -4.74 117.16 121.47 1awh n TYR 76 Ca 0.50 -0.16 -0.37 0.00 3.31 0.00 0.00 57.90 61.19 1awh n TYR 76 Cb 0.02 -2.73 -0.12 0.00 0.49 0.00 0.00 39.34 36.99 1awh n TYR 76 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1awh s GLU 77 N 5.82 3.76 0.04 2.98 8.01 -1.26 -5.00 118.70 133.04 1awh s GLU 77 Ca 0.98 -0.42 -0.29 0.00 0.01 0.00 0.00 54.97 55.25 1awh s GLU 77 Cb -0.41 -3.41 -0.16 0.00 -4.31 0.00 0.00 34.13 25.85 1awh s GLU 77 CO 0.38 -0.15 1.31 0.07 0.01 0.00 0.00 175.26 176.88 1awh h ARG 77 N 8.16 -1.00 -1.72 1.61 0.11 -1.96 -2.51 114.38 117.07 1awh h ARG 77 Ca -0.37 0.07 -0.04 0.00 0.10 0.00 0.00 59.98 59.73 1awh h ARG 77 Cb 1.18 0.23 -0.02 0.00 1.11 0.00 0.00 29.97 32.47 1awh h ARG 77 CO 0.58 -0.67 0.06 0.09 0.10 0.00 0.00 179.97 180.13 1awh n ASN 78 N -5.07 4.97 0.10 0.08 5.03 -1.26 -3.98 115.26 115.13 1awh n ASN 78 Ca -0.13 -2.42 0.00 0.00 0.87 0.00 0.00 54.58 52.90 1awh n ASN 78 Cb 0.41 -0.99 0.00 0.00 -1.02 0.00 0.00 39.78 38.18 1awh n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1awh n ILE 79 N 1.12 0.27 -3.05 2.41 5.41 -1.16 -5.06 119.36 119.30 1awh n ILE 79 Ca 0.04 0.09 -0.44 0.00 1.00 0.00 0.00 62.75 63.44 1awh n ILE 79 Cb 0.53 -0.69 -0.04 0.00 -0.71 0.00 0.00 39.64 38.73 1awh n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1awh s GLU 80 N -1.83 3.23 -0.59 0.38 -1.05 -0.95 -4.75 118.70 113.14 1awh s GLU 80 Ca 0.00 -1.45 -0.26 0.00 -0.15 0.00 0.00 54.97 53.10 1awh s GLU 80 Cb 0.00 -4.42 -0.03 0.00 -0.44 0.00 0.00 34.13 29.24 1awh s GLU 80 CO 0.00 -1.61 1.96 0.15 0.95 0.00 0.00 175.26 176.71 1awh s LYS 81 N 2.66 2.53 -0.64 -4.83 -0.14 -0.22 -4.82 119.74 114.29 1awh s LYS 81 Ca 0.19 0.76 -0.26 0.00 -1.36 0.00 0.00 55.97 55.29 1awh s LYS 81 Cb -0.17 -4.42 -0.06 0.00 -1.68 0.00 0.00 37.83 31.49 1awh s LYS 81 CO 0.02 -2.83 2.17 0.42 -0.76 0.00 0.00 175.35 174.37 1awh s ILE 82 N 9.66 3.18 0.00 2.17 1.01 -1.26 0.71 121.20 136.66 1awh s ILE 82 Ca 0.73 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1awh s ILE 82 Cb -0.13 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1awh s ILE 82 CO 0.22 -0.43 0.00 -0.24 0.00 0.00 0.00 174.94 174.49 1awh n SER 83 N 15.14 0.00 -4.26 3.58 2.88 -0.74 -4.95 113.62 125.26 1awh n SER 83 Ca 0.34 -0.87 -0.14 0.00 -1.33 0.00 0.00 58.87 56.86 1awh n SER 83 Cb 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 1awh n SER 83 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1awh s MET 84 N -1.57 1.29 -0.31 -1.46 -1.94 -1.26 -3.04 119.30 111.01 1awh s MET 84 Ca 0.00 -1.69 -0.07 0.00 -1.71 0.00 0.00 55.69 52.22 1awh s MET 84 Cb 0.00 -0.07 0.01 0.00 2.01 0.00 0.00 34.83 36.79 1awh s MET 84 CO 0.00 -0.31 0.10 -0.51 -0.01 0.00 0.00 175.02 174.29 1awh s LEU 85 N -3.24 4.00 0.01 -0.03 1.43 -1.26 -0.96 118.68 118.63 1awh s LEU 85 Ca 0.36 -0.78 -0.25 0.00 -1.03 0.00 0.00 54.13 52.43 1awh s LEU 85 Cb 0.07 -1.90 -0.17 0.00 0.03 0.00 0.00 46.19 44.23 1awh s LEU 85 CO 0.12 -0.23 1.25 -0.08 0.23 0.00 0.00 176.35 177.64 1awh h GLU 86 N 8.25 -0.40 -4.48 1.70 4.81 0.31 -3.45 114.58 121.33 1awh h GLU 86 Ca -0.30 0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.76 1awh h GLU 86 Cb 1.12 0.09 -0.16 0.00 0.63 0.00 0.00 28.75 30.43 1awh h GLU 86 CO 0.61 -0.08 -0.70 0.15 -0.73 0.00 0.00 179.01 178.26 1awh s LYS 87 N -4.70 0.69 -0.16 1.92 1.02 -1.03 -4.92 119.74 112.57 1awh s LYS 87 Ca -0.14 -1.17 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 1awh s LYS 87 Cb 0.02 -0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.23 1awh s LYS 87 CO 0.55 -0.03 -0.09 0.42 -0.92 0.00 0.00 175.35 175.28 1awh s ILE 88 N -3.22 3.34 -0.16 2.17 -1.09 -1.26 -0.68 121.20 120.30 1awh s ILE 88 Ca 0.05 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 1awh s ILE 88 Cb 0.03 -2.45 0.02 0.00 -1.58 0.00 0.00 42.46 38.48 1awh s ILE 88 CO -0.05 0.49 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.70 1awh s TYR 89 N 0.63 2.26 -0.07 3.97 1.51 0.19 -5.00 117.35 120.83 1awh s TYR 89 Ca -0.05 -1.30 -0.04 0.00 -1.01 0.00 0.00 57.07 54.67 1awh s TYR 89 Cb -0.15 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 1awh s TYR 89 CO 0.03 -0.69 0.10 0.42 -1.11 0.00 0.00 175.55 174.30 1awh s ILE 90 N 1.46 5.05 0.03 2.71 1.01 -1.26 -1.04 121.20 129.15 1awh s ILE 90 Ca 0.04 -0.09 -0.34 0.00 0.00 0.00 0.00 60.65 60.26 1awh s ILE 90 Cb -0.13 -3.24 -0.13 0.00 0.01 0.00 0.00 42.46 38.98 1awh s ILE 90 CO -0.11 0.51 1.74 1.57 0.00 0.00 0.00 174.94 178.65 1awh n HIS 91 N 1.67 2.30 0.14 3.97 -0.00 -1.19 -4.78 115.22 117.33 1awh n HIS 91 Ca -0.17 0.12 0.02 0.00 -0.00 0.00 0.00 57.72 57.69 1awh n HIS 91 Cb 0.54 -2.61 0.09 0.00 -0.00 0.00 0.00 29.99 28.01 1awh n HIS 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1awh n PRO 92 N 5.17 0.03 -1.21 1.57 -0.04 -1.26 -1.38 135.00 137.89 1awh n PRO 92 Ca 0.20 0.43 0.04 0.00 -0.04 0.00 0.00 63.50 64.13 1awh n PRO 92 Cb 0.29 -2.17 0.07 0.00 -0.04 0.00 0.00 33.50 31.65 1awh n PRO 92 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1awh n ARG 93 N -1.71 0.39 -1.98 0.54 1.74 -1.26 -5.09 116.66 109.30 1awh n ARG 93 Ca -0.00 -2.26 -0.42 0.00 -0.77 0.00 0.00 57.85 54.40 1awh n ARG 93 Cb 0.58 -0.43 -0.03 0.00 -1.02 0.00 0.00 32.46 31.56 1awh n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1awh s TYR 94 N -0.81 3.04 -0.64 -1.55 5.04 -0.48 -4.77 117.35 117.19 1awh s TYR 94 Ca 0.33 0.83 -0.04 0.00 -2.44 0.00 0.00 57.07 55.75 1awh s TYR 94 Cb 0.36 -3.87 0.17 0.00 0.35 0.00 0.00 41.96 38.96 1awh s TYR 94 CO -0.13 -3.03 0.47 1.21 -1.34 0.00 0.00 175.55 172.72 1awh s ASN 95 N 0.77 5.41 0.29 4.32 3.84 0.58 -4.91 114.94 125.25 1awh s ASN 95 Ca 0.65 -2.80 0.19 0.00 0.21 0.00 0.00 52.86 51.11 1awh s ASN 95 Cb -0.43 -1.89 0.12 0.00 -0.55 0.00 0.00 41.25 38.50 1awh s ASN 95 CO 0.37 -0.40 1.36 4.11 -2.79 0.00 0.00 177.10 179.75 1awh h TRP 96 N 7.16 0.00 0.02 0.43 5.08 -1.93 0.22 115.95 126.92 1awh h TRP 96 Ca -0.01 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.96 1awh h TRP 96 Cb 0.97 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.13 1awh h TRP 96 CO 0.74 0.27 -0.01 0.00 -1.28 0.00 0.00 178.44 178.16 1awh h ARG 97 N 0.00 -0.02 0.00 0.12 3.08 -2.00 -3.42 114.38 112.15 1awh h ARG 97 Ca -0.02 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 1awh h ARG 97 Cb 1.23 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 1awh h ARG 97 CO 0.03 0.09 -1.74 -1.91 -1.07 0.00 0.00 179.97 175.38 1awh n GLU 97 N -5.05 0.56 -0.31 0.04 2.13 -1.26 -4.94 120.64 111.81 1awh n GLU 97 Ca -0.07 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1awh n GLU 97 Cb 0.09 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.29 1awh n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1awh n ASN 98 N -4.37 0.00 -3.86 4.31 6.94 -1.24 -4.83 115.26 112.21 1awh n ASN 98 Ca -0.35 -1.38 -0.30 0.00 -0.02 0.00 0.00 54.58 52.53 1awh n ASN 98 Cb 0.70 -0.08 0.02 0.00 -2.36 0.00 0.00 39.78 38.06 1awh n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1awh n LEU 99 N 0.00 -2.40 -4.75 -4.53 4.32 0.70 -4.89 117.00 105.46 1awh n LEU 99 Ca 0.00 -0.74 -0.41 0.00 -0.02 0.00 0.00 56.01 54.84 1awh n LEU 99 Cb 0.58 -2.50 -0.04 0.00 -1.62 0.00 0.00 43.42 39.84 1awh n LEU 99 CO 0.00 0.42 0.80 -0.62 -1.22 0.00 0.00 177.39 176.77 1awh s ASP 100 N -3.22 7.26 -1.53 -1.43 2.15 -0.84 -3.05 116.67 116.02 1awh s ASP 100 Ca 0.64 2.18 0.00 0.00 0.43 0.00 0.00 52.55 55.81 1awh s ASP 100 Cb -0.32 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.68 1awh s ASP 100 CO 0.79 -0.18 0.00 0.54 -0.17 0.00 0.00 175.17 176.15 1awh n ARG 101 N 1.80 -1.24 -0.47 4.34 1.74 -1.26 -0.30 116.66 121.26 1awh n ARG 101 Ca 0.01 0.90 -0.12 0.00 -0.77 0.00 0.00 57.85 57.87 1awh n ARG 101 Cb 0.45 -5.22 -0.03 0.00 -1.02 0.00 0.00 32.46 26.64 1awh n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1awh n ASP 102 N -0.93 0.05 -4.20 0.55 2.03 -1.17 -4.64 116.55 108.25 1awh n ASP 102 Ca -0.18 -1.46 -0.23 0.00 0.52 0.00 0.00 54.79 53.44 1awh n ASP 102 Cb 0.60 -0.28 -0.14 0.00 -0.72 0.00 0.00 41.12 40.59 1awh n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1awh s ILE 103 N 4.19 1.39 -0.07 5.18 2.07 -1.26 -3.29 121.20 129.42 1awh s ILE 103 Ca 0.19 -1.08 -0.05 0.00 -1.41 0.00 0.00 60.65 58.30 1awh s ILE 103 Cb 0.04 -1.23 0.02 0.00 0.13 0.00 0.00 42.46 41.42 1awh s ILE 103 CO 0.10 0.13 0.17 0.00 -1.91 0.00 0.00 174.94 173.42 1awh s ALA 104 N -0.79 -0.41 -0.07 1.50 0.00 0.18 -3.15 121.76 119.02 1awh s ALA 104 Ca 0.05 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 1awh s ALA 104 Cb -0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1awh s ALA 104 CO 0.01 -0.09 0.22 -0.51 0.00 0.00 0.00 175.76 175.39 1awh s LEU 105 N 0.27 4.40 0.08 0.00 1.43 -0.21 -0.71 118.68 123.94 1awh s LEU 105 Ca -0.01 0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 1awh s LEU 105 Cb -0.03 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 1awh s LEU 105 CO -0.01 0.36 -0.19 0.00 0.23 0.00 0.00 176.35 176.74 1awh s MET 106 N -1.20 1.08 -0.32 1.70 0.23 -0.21 0.55 119.30 121.13 1awh s MET 106 Ca 0.19 -1.04 -0.05 0.00 -1.03 0.00 0.00 55.69 53.76 1awh s MET 106 Cb -0.13 -1.24 0.03 0.00 -1.53 0.00 0.00 34.83 31.96 1awh s MET 106 CO 0.09 0.29 0.07 0.21 -2.03 0.00 0.00 175.02 173.65 1awh s LYS 107 N -1.67 2.70 1.02 3.16 2.20 0.15 -0.88 119.74 126.41 1awh s LYS 107 Ca 0.04 -1.12 -0.17 0.00 -0.36 0.00 0.00 55.97 54.36 1awh s LYS 107 Cb -0.10 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 1awh s LYS 107 CO 0.03 -0.60 -0.21 1.28 -0.36 0.00 0.00 175.35 175.49 1awh n LEU 108 N 4.78 -2.35 -0.00 5.43 4.32 0.71 0.80 117.00 130.69 1awh n LEU 108 Ca -0.13 0.12 0.06 0.00 -0.02 0.00 0.00 56.01 56.04 1awh n LEU 108 Cb 0.45 -0.95 -0.08 0.00 -1.62 0.00 0.00 43.42 41.22 1awh n LEU 108 CO 0.30 -3.80 -0.26 2.29 -1.22 0.00 0.00 177.39 174.71 1awh n LYS 109 N -0.43 1.88 -4.29 3.23 2.85 -0.14 -3.70 118.16 117.57 1awh n LYS 109 Ca 0.02 -0.04 -0.20 0.00 -1.05 0.00 0.00 58.31 57.03 1awh n LYS 109 Cb 0.60 -1.19 -0.16 0.00 -0.65 0.00 0.00 35.03 33.63 1awh n LYS 109 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1awh s LYS 110 N -2.48 0.95 0.43 -1.58 3.01 -1.26 -4.98 119.74 113.83 1awh s LYS 110 Ca 0.01 -0.21 -0.17 0.00 -1.01 0.00 0.00 55.97 54.59 1awh s LYS 110 Cb 0.09 -0.90 -0.14 0.00 -1.01 0.00 0.00 37.83 35.88 1awh s LYS 110 CO 0.54 0.01 -0.05 -2.30 0.51 0.00 0.00 175.35 174.06 1awh n PRO 111 N 3.69 0.00 -4.15 -1.68 -0.02 -1.26 -4.88 135.00 126.70 1awh n PRO 111 Ca -0.22 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.93 1awh n PRO 111 Cb 0.52 -0.90 -0.07 0.00 -0.02 0.00 0.00 33.50 33.03 1awh n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1awh s VAL 112 N -1.72 4.59 -0.50 -1.45 0.11 -0.05 -5.00 120.40 116.38 1awh s VAL 112 Ca 0.52 -0.43 -0.27 0.00 -2.93 0.00 0.00 61.98 58.86 1awh s VAL 112 Cb -0.49 -3.08 -0.01 0.00 -1.53 0.00 0.00 36.38 31.27 1awh s VAL 112 CO 0.59 0.37 1.72 0.00 -3.33 0.00 0.00 175.10 174.45 1awh s ALA 113 N -1.15 2.57 0.59 1.54 0.00 -1.26 -4.88 121.76 119.16 1awh s ALA 113 Ca 0.21 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 1awh s ALA 113 Cb -0.12 -4.15 -0.03 0.00 0.00 0.00 0.00 23.12 18.82 1awh s ALA 113 CO 0.12 -3.22 1.29 -0.06 0.00 0.00 0.00 175.76 173.89 1awh s PHE 114 N 7.55 2.26 0.18 0.00 0.08 -1.26 -4.91 117.98 121.87 1awh s PHE 114 Ca 0.67 1.46 -0.01 0.00 0.12 0.00 0.00 56.93 59.17 1awh s PHE 114 Cb -0.15 -3.66 0.01 0.00 -0.57 0.00 0.00 43.02 38.64 1awh s PHE 114 CO 0.26 -2.68 0.27 -1.13 -0.10 0.00 0.00 175.22 171.84 1awh n SER 115 N -1.48 -0.74 -2.53 1.36 3.41 -0.23 -4.94 113.62 108.46 1awh n SER 115 Ca 0.13 -1.97 -0.25 0.00 -0.26 0.00 0.00 58.87 56.52 1awh n SER 115 Cb 0.47 1.37 -0.08 0.00 -0.26 0.00 0.00 64.21 65.71 1awh n SER 115 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1awh n ASP 116 N -1.82 6.48 0.00 4.04 5.75 -1.26 -2.72 116.55 127.01 1awh n ASP 116 Ca -0.00 -2.97 0.00 0.00 -0.01 0.00 0.00 54.79 51.81 1awh n ASP 116 Cb 0.30 -1.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.08 1awh n ASP 116 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1awh n TYR 117 N 1.57 0.00 -3.54 2.11 4.01 -1.26 -4.81 117.16 115.24 1awh n TYR 117 Ca 0.51 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.83 1awh n TYR 117 Cb 0.59 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.53 1awh n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1awh s ILE 118 N -0.91 4.62 -0.08 -0.72 1.01 -1.10 -4.40 121.20 119.63 1awh s ILE 118 Ca 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 1awh s ILE 118 Cb 0.00 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1awh s ILE 118 CO 0.00 -0.45 0.20 -2.28 0.00 0.00 0.00 174.94 172.41 1awh s HIS 119 N 1.52 -0.23 0.58 3.97 2.46 -0.41 -1.07 115.29 122.12 1awh s HIS 119 Ca 0.03 0.56 -0.18 0.00 0.47 0.00 0.00 55.06 55.94 1awh s HIS 119 Cb -0.22 0.05 -0.04 0.00 -0.13 0.00 0.00 32.58 32.24 1awh s HIS 119 CO 0.05 -0.13 1.12 -2.14 -2.47 0.00 0.00 174.74 171.17 1awh s PRO 120 N 0.40 3.19 0.52 2.88 0.02 -1.26 -2.00 135.00 138.76 1awh s PRO 120 Ca -0.02 1.54 -0.06 0.00 0.02 0.00 0.00 61.00 62.47 1awh s PRO 120 Cb -0.04 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 1awh s PRO 120 CO -0.02 -0.96 0.83 0.54 -0.33 0.00 0.00 177.00 177.06 1awh s VAL 121 N -1.95 4.54 0.38 3.83 0.11 -0.65 -4.84 120.40 121.82 1awh s VAL 121 Ca 0.71 0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.96 1awh s VAL 121 Cb -0.23 -3.75 -0.02 0.00 -1.53 0.00 0.00 36.38 30.85 1awh s VAL 121 CO 0.31 -0.76 0.59 0.00 -3.33 0.00 0.00 175.10 171.91 1awh s LEU 123 N -4.39 4.04 0.67 0.00 1.02 -1.26 -1.07 118.68 117.69 1awh s LEU 123 Ca 0.43 0.24 -0.11 0.00 0.02 0.00 0.00 54.13 54.72 1awh s LEU 123 Cb -0.10 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.87 1awh s LEU 123 CO 0.36 0.31 1.06 -2.16 0.02 0.00 0.00 176.35 175.94 1awh s PRO 124 N -1.54 3.04 0.42 1.29 0.04 -1.26 -4.91 135.00 132.07 1awh s PRO 124 Ca 0.21 0.47 0.07 0.00 0.04 0.00 0.00 61.00 61.80 1awh s PRO 124 Cb -0.12 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1awh s PRO 124 CO 0.12 -0.89 0.25 0.16 0.04 0.00 0.00 177.00 176.68 1awh s ASP 125 N -4.31 4.64 0.16 6.66 -4.77 -1.26 -4.86 116.67 112.92 1awh s ASP 125 Ca 0.57 -0.97 -0.24 0.00 -3.30 0.00 0.00 52.55 48.61 1awh s ASP 125 Cb -0.11 -0.50 0.04 0.00 -1.09 0.00 0.00 42.92 41.27 1awh s ASP 125 CO 0.51 -0.59 1.59 -0.09 0.70 0.00 0.00 175.17 177.29 1awh h ARG 126 N 1.28 -0.26 0.32 2.11 2.43 -2.00 -2.28 114.38 115.99 1awh h ARG 126 Ca -0.42 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1awh h ARG 126 Cb 1.26 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1awh h ARG 126 CO 0.66 -0.17 -0.19 0.93 -1.51 0.00 0.00 179.97 179.68 1awh h GLU 127 N -0.27 -0.47 -1.81 0.20 4.39 -2.04 -3.05 114.58 111.53 1awh h GLU 127 Ca 0.17 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1awh h GLU 127 Cb 0.56 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1awh h GLU 127 CO -0.57 -0.31 0.00 2.41 -1.16 0.00 0.00 179.01 179.37 1awh n THR 128 N -5.32 0.00 0.00 1.13 -1.04 -0.86 -2.41 114.28 105.78 1awh n THR 128 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1awh n THR 128 Cb 0.23 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1awh n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1awh n ALA 129 N 1.16 0.00 0.24 2.41 0.00 -1.15 -2.54 120.51 120.63 1awh n ALA 129 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1awh n ALA 129 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 1awh n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1awh h SER 129 N 0.00 0.00 0.01 0.00 4.64 -1.79 -3.20 113.55 113.21 1awh h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1awh h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1awh h SER 129 CO 0.00 0.08 -0.78 0.18 -0.87 0.00 0.00 176.83 175.43 1awh n LEU 129 N -3.16 1.38 -3.89 5.97 4.77 -1.05 -4.50 117.00 116.52 1awh n LEU 129 Ca 0.02 -0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 54.99 1awh n LEU 129 Cb 0.44 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1awh n LEU 129 CO 0.32 0.29 1.38 0.18 -1.33 0.00 0.00 177.39 178.23 1awh n LEU 130 N -0.94 6.72 -4.23 2.23 4.77 -1.21 -4.92 117.00 119.43 1awh n LEU 130 Ca 0.06 -5.14 -0.29 0.00 -0.03 0.00 0.00 56.01 50.61 1awh n LEU 130 Cb 0.38 -1.29 -0.16 0.00 -2.33 0.00 0.00 43.42 40.02 1awh n LEU 130 CO 0.37 1.73 -0.54 -1.10 -1.33 0.00 0.00 177.39 176.52 1awh s GLN 131 N -2.50 2.09 0.46 3.23 -0.21 -1.26 -4.97 119.66 116.50 1awh s GLN 131 Ca 0.35 -0.79 -0.25 0.00 0.02 0.00 0.00 55.36 54.69 1awh s GLN 131 Cb 0.09 -1.86 -0.08 0.00 1.00 0.00 0.00 33.01 32.16 1awh s GLN 131 CO 0.04 0.38 1.38 0.00 -2.12 0.00 0.00 175.29 174.98 1awh s ALA 132 N -0.25 3.16 0.00 6.09 0.00 -1.26 -1.11 121.76 128.39 1awh s ALA 132 Ca 0.01 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1awh s ALA 132 Cb -0.11 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1awh s ALA 132 CO 0.02 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1awh n GLY 133 N 0.62 3.14 3.74 0.00 0.00 -0.59 -4.95 105.19 107.14 1awh n GLY 133 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1awh n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1awh s TYR 134 N -1.68 3.57 -0.06 1.61 1.51 -0.26 -4.73 117.35 117.30 1awh s TYR 134 Ca 0.00 1.59 -0.08 0.00 -1.01 0.00 0.00 57.07 57.57 1awh s TYR 134 Cb 0.00 -3.30 -0.04 0.00 -0.11 0.00 0.00 41.96 38.51 1awh s TYR 134 CO 0.00 -0.68 0.22 0.15 -1.11 0.00 0.00 175.55 174.13 1awh s LYS 135 N -0.49 3.56 0.50 -0.62 1.02 -1.26 -0.34 119.74 122.11 1awh s LYS 135 Ca 0.49 -0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.52 1awh s LYS 135 Cb -0.30 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1awh s LYS 135 CO 0.36 0.73 0.30 0.20 -0.92 0.00 0.00 175.35 176.02 1awh s GLY 136 N -1.22 2.43 -0.10 -3.33 0.00 0.24 -4.85 107.32 100.50 1awh s GLY 136 Ca 0.20 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.56 1awh s GLY 136 CO 0.09 -1.95 -0.21 -1.60 0.00 0.00 0.00 173.10 169.44 1awh s ARG 137 N -4.13 3.07 -0.01 2.90 3.52 0.16 0.36 118.95 124.83 1awh s ARG 137 Ca 0.33 -0.82 0.08 0.00 -0.13 0.00 0.00 55.73 55.19 1awh s ARG 137 Cb -0.00 -2.39 -0.02 0.00 -1.56 0.00 0.00 34.95 30.98 1awh s ARG 137 CO 0.20 0.23 -0.25 0.08 -0.81 0.00 0.00 175.30 174.75 1awh s VAL 138 N 0.25 2.19 0.05 7.11 1.01 0.18 -1.74 120.40 129.45 1awh s VAL 138 Ca -0.14 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 60.77 1awh s VAL 138 Cb -0.17 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1awh s VAL 138 CO 0.07 0.54 -0.12 0.42 0.00 0.00 0.00 175.10 176.01 1awh s THR 139 N -0.66 0.96 -3.81 3.92 -4.23 -1.19 -0.45 115.64 110.18 1awh s THR 139 Ca 0.11 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1awh s THR 139 Cb -0.10 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1awh s THR 139 CO -0.00 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1awh n GLY 140 N 1.55 -1.69 0.93 3.99 0.00 0.35 -4.56 105.19 105.75 1awh n GLY 140 Ca -0.20 -1.16 0.08 0.00 0.00 0.00 0.00 46.02 44.73 1awh n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1awh n TRP 141 N 4.64 0.90 -2.04 1.61 8.01 -1.26 -1.85 117.44 127.44 1awh n TRP 141 Ca 0.00 -0.74 -0.28 0.00 -1.31 0.00 0.00 57.50 55.18 1awh n TRP 141 Cb 0.00 -0.23 0.07 0.00 -2.01 0.00 0.00 31.31 29.14 1awh n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1awh s GLY 142 N -1.52 1.63 0.67 6.99 0.00 -1.26 -4.49 107.32 109.34 1awh s GLY 142 Ca 0.38 -0.73 -0.17 0.00 0.00 0.00 0.00 44.72 44.20 1awh s GLY 142 CO 0.13 -0.30 0.49 0.70 0.00 0.00 0.00 173.10 174.12 1awh n ASN 143 N -3.09 -1.26 0.15 1.64 3.02 -0.04 -0.28 115.26 115.40 1awh n ASN 143 Ca 0.08 0.64 0.12 0.00 -0.03 0.00 0.00 54.58 55.39 1awh n ASN 143 Cb 0.60 -1.19 0.11 0.00 -0.61 0.00 0.00 39.78 38.70 1awh n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1awh h LEU 144 N -0.14 0.00 0.00 3.41 3.38 -0.82 -0.44 115.31 120.70 1awh h LEU 144 Ca -0.45 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1awh h LEU 144 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1awh h LEU 144 CO 0.44 0.01 0.00 0.29 0.09 0.00 0.00 178.44 179.27 1awh n LYS 145 N -2.77 0.86 -3.97 1.13 4.76 -1.26 -4.26 118.16 112.65 1awh n LYS 145 Ca 0.02 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.12 1awh n LYS 145 Cb 0.52 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.57 1awh n LYS 145 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1awh s GLU 146 N 1.55 2.63 -0.37 1.97 2.12 -1.26 -4.81 118.70 120.54 1awh s GLU 146 Ca 0.00 -1.11 -0.01 0.00 0.36 0.00 0.00 54.97 54.21 1awh s GLU 146 Cb 0.00 -3.01 0.09 0.00 0.26 0.00 0.00 34.13 31.48 1awh s GLU 146 CO 0.00 -0.48 0.12 0.95 -0.54 0.00 0.00 175.26 175.31 1awh s THR 147 N 1.27 2.95 0.00 -1.70 -4.23 -1.26 -0.24 115.64 112.43 1awh s THR 147 Ca -0.03 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1awh s THR 147 Cb -0.18 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1awh s THR 147 CO -0.04 -0.53 0.00 0.79 -0.54 0.00 0.00 174.62 174.30 1awh n TRP 148 N 4.51 0.00 -3.99 3.99 7.02 -1.26 -5.11 117.44 122.61 1awh n TRP 148 Ca -0.03 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.14 1awh n TRP 148 Cb 0.42 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 29.16 1awh n TRP 148 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1awh s THR 149 N 0.00 2.09 0.00 -0.99 2.01 0.67 -4.97 115.64 114.45 1awh s THR 149 Ca 0.00 -2.15 0.00 0.00 0.31 0.00 0.00 61.69 59.85 1awh s THR 149 Cb 0.00 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1awh s THR 149 CO 0.00 -0.55 0.00 0.00 -0.69 0.00 0.00 174.62 173.38 1awh n ALA 149 N 4.35 0.00 0.00 7.40 0.00 -1.26 -4.71 120.51 126.28 1awh n ALA 149 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1awh n ALA 149 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1awh n ALA 149 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1awh n ASN 149 N 0.00 0.00 -4.56 0.00 6.94 -1.26 -4.88 115.26 111.50 1awh n ASN 149 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.35 1awh n ASN 149 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1awh n ASN 149 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1awh s VAL 149 N 0.66 3.26 0.00 3.53 1.01 -1.26 -4.63 120.40 122.97 1awh s VAL 149 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1awh s VAL 149 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1awh s VAL 149 CO 0.00 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1awh n GLY 149 N 6.83 3.62 3.75 4.51 0.00 -1.26 -5.16 105.19 117.49 1awh n GLY 149 Ca 0.43 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1awh n GLY 149 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1awh s LYS 149 N 2.16 2.28 -0.01 1.61 2.20 -1.26 -5.00 119.74 121.72 1awh s LYS 149 Ca 0.00 1.34 -0.02 0.00 -0.36 0.00 0.00 55.97 56.93 1awh s LYS 149 Cb 0.00 -1.89 -0.01 0.00 -1.51 0.00 0.00 37.83 34.42 1awh s LYS 149 CO 0.00 -1.65 -0.04 0.41 -0.36 0.00 0.00 175.35 173.72 1awh n GLY 150 N -0.68 -0.23 3.88 5.54 0.00 -1.26 -4.46 105.19 107.99 1awh n GLY 150 Ca 0.10 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1awh n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1awh s GLN 151 N -1.29 3.74 -0.09 1.61 1.11 -1.26 -0.18 119.66 123.29 1awh s GLN 151 Ca -0.03 0.18 -0.18 0.00 0.01 0.00 0.00 55.36 55.34 1awh s GLN 151 Cb 0.00 -2.66 -0.05 0.00 -1.01 0.00 0.00 33.01 29.30 1awh s GLN 151 CO 0.05 0.29 0.47 -1.25 0.01 0.00 0.00 175.29 174.86 1awh s PRO 152 N -3.02 4.28 0.00 2.91 0.04 -1.26 -4.90 135.00 133.05 1awh s PRO 152 Ca 0.46 0.45 0.30 0.00 0.04 0.00 0.00 61.00 62.25 1awh s PRO 152 Cb -0.11 -3.40 1.40 0.00 0.04 0.00 0.00 34.50 32.43 1awh s PRO 152 CO 0.24 0.25 1.99 -1.13 0.04 0.00 0.00 177.00 178.39 1awh n SER 153 N 3.34 0.05 -3.85 6.66 3.41 -1.26 -4.68 113.62 117.29 1awh n SER 153 Ca -0.08 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 1awh n SER 153 Cb 0.52 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 1awh n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1awh s VAL 154 N -2.69 0.04 0.11 -3.33 1.01 -1.26 -1.95 120.40 112.33 1awh s VAL 154 Ca 0.24 -0.35 -0.35 0.00 0.00 0.00 0.00 61.98 61.52 1awh s VAL 154 Cb 0.20 -0.31 -0.17 0.00 0.00 0.00 0.00 36.38 36.11 1awh s VAL 154 CO 0.49 -0.19 1.23 -0.11 0.00 0.00 0.00 175.10 176.51 1awh n LEU 155 N 2.26 1.35 -4.62 3.92 7.94 0.10 -4.80 117.00 123.15 1awh n LEU 155 Ca -0.17 1.13 -0.26 0.00 -1.11 0.00 0.00 56.01 55.60 1awh n LEU 155 Cb 0.57 -1.16 -0.08 0.00 0.53 0.00 0.00 43.42 43.28 1awh n LEU 155 CO 0.21 -1.28 -0.37 -1.10 -1.11 0.00 0.00 177.39 173.75 1awh s GLN 156 N 0.09 2.23 -0.02 1.96 -1.52 -0.77 0.14 119.66 121.77 1awh s GLN 156 Ca 0.81 -1.24 0.03 0.00 -1.95 0.00 0.00 55.36 53.01 1awh s GLN 156 Cb -0.95 -2.23 -0.00 0.00 -0.22 0.00 0.00 33.01 29.60 1awh s GLN 156 CO 0.50 0.43 -0.09 0.54 -0.25 0.00 0.00 175.29 176.42 1awh s VAL 157 N -1.83 0.76 -0.03 1.09 0.11 0.65 -0.50 120.40 120.65 1awh s VAL 157 Ca 0.27 -0.38 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1awh s VAL 157 Cb -0.09 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1awh s VAL 157 CO 0.17 0.23 0.10 0.54 -3.33 0.00 0.00 175.10 172.81 1awh s VAL 158 N -0.03 0.02 -0.16 2.04 0.11 0.40 -1.51 120.40 121.27 1awh s VAL 158 Ca 0.01 -0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 58.86 1awh s VAL 158 Cb -0.06 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 1awh s VAL 158 CO -0.00 -0.08 0.01 0.20 -3.33 0.00 0.00 175.10 171.90 1awh s ASN 159 N -0.22 5.19 0.01 3.54 -0.87 -1.26 0.47 114.94 121.80 1awh s ASN 159 Ca -0.03 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 1awh s ASN 159 Cb -0.02 -1.81 -0.01 0.00 -0.02 0.00 0.00 41.25 39.38 1awh s ASN 159 CO 0.00 0.20 -0.03 -0.76 -2.57 0.00 0.00 177.10 173.95 1awh s LEU 160 N 0.18 2.13 0.39 0.60 1.43 0.16 -4.91 118.68 118.65 1awh s LEU 160 Ca 0.01 -0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 52.59 1awh s LEU 160 Cb -0.13 0.01 -0.10 0.00 0.03 0.00 0.00 46.19 46.00 1awh s LEU 160 CO 0.02 -0.15 0.98 -2.16 0.23 0.00 0.00 176.35 175.27 1awh s PRO 161 N -0.83 4.31 0.26 1.29 0.04 -1.26 0.83 135.00 139.64 1awh s PRO 161 Ca -0.08 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 1awh s PRO 161 Cb -0.06 -2.51 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 1awh s PRO 161 CO -0.00 0.02 1.48 0.42 0.04 0.00 0.00 177.00 178.96 1awh s ILE 162 N -1.80 2.52 0.52 0.56 1.01 0.54 -0.64 121.20 123.89 1awh s ILE 162 Ca 0.57 0.43 -0.01 0.00 0.00 0.00 0.00 60.65 61.64 1awh s ILE 162 Cb -0.17 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.04 1awh s ILE 162 CO 0.22 0.07 0.76 -0.69 0.00 0.00 0.00 174.94 175.30 1awh s VAL 163 N 0.04 3.48 0.25 2.92 1.01 -1.22 -1.55 120.40 125.34 1awh s VAL 163 Ca 0.61 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 1awh s VAL 163 Cb -0.43 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1awh s VAL 163 CO 0.44 -0.25 0.91 -1.61 0.00 0.00 0.00 175.10 174.59 1awh s GLU 164 N -4.73 4.73 0.25 2.72 8.01 -1.26 -4.74 118.70 123.69 1awh s GLU 164 Ca 0.52 1.39 -0.02 0.00 0.01 0.00 0.00 54.97 56.87 1awh s GLU 164 Cb -0.10 -3.15 0.49 0.00 -4.31 0.00 0.00 34.13 27.06 1awh s GLU 164 CO 0.40 0.46 1.77 -0.09 0.01 0.00 0.00 175.26 177.81 1awh h ARG 165 N 3.91 0.60 0.00 1.61 2.43 -2.01 0.86 114.38 121.78 1awh h ARG 165 Ca -0.46 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1awh h ARG 165 Cb 1.20 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1awh h ARG 165 CO 0.67 0.40 -0.01 -1.00 -1.51 0.00 0.00 179.97 178.52 1awh h PRO 166 N 0.62 0.00 0.15 0.20 0.13 -1.98 -2.52 132.00 128.59 1awh h PRO 166 Ca 0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.56 1awh h PRO 166 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1awh h PRO 166 CO -0.34 0.01 -0.07 0.28 -0.23 0.00 0.00 178.00 177.64 1awh h VAL 167 N 0.00 0.95 -0.46 1.56 2.07 0.36 0.37 116.25 121.09 1awh h VAL 167 Ca -0.00 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.23 1awh h VAL 167 Cb 0.64 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 1awh h VAL 167 CO 0.00 0.09 -0.07 0.00 0.02 0.00 0.00 177.57 177.62 1awh h LYS 169 N 0.04 0.72 0.00 0.00 1.57 -1.35 0.29 116.57 117.83 1awh h LYS 169 Ca 0.23 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1awh h LYS 169 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1awh h LYS 169 CO -0.44 0.47 0.00 -0.25 -0.57 0.00 0.00 179.45 178.67 1awh n ASP 170 N -4.53 0.00 0.07 0.86 8.00 0.13 -3.48 116.55 117.59 1awh n ASP 170 Ca 0.15 -0.48 0.11 0.00 0.71 0.00 0.00 54.79 55.29 1awh n ASP 170 Cb 0.39 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1awh n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1awh n SER 171 N -1.12 0.67 -3.98 -2.24 3.41 0.10 -4.99 113.62 105.46 1awh n SER 171 Ca 0.16 0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.82 1awh n SER 171 Cb 0.13 0.69 -0.11 0.00 -0.26 0.00 0.00 64.21 64.66 1awh n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1awh s THR 172 N -3.32 0.12 -0.29 6.66 -1.32 -1.22 -4.90 115.64 111.36 1awh s THR 172 Ca 0.00 -0.91 0.26 0.00 -1.21 0.00 0.00 61.69 59.84 1awh s THR 172 Cb 0.12 -0.27 0.28 0.00 -1.51 0.00 0.00 72.50 71.12 1awh s THR 172 CO 0.80 -0.49 1.79 0.03 -2.21 0.00 0.00 174.62 174.53 1awh h ARG 173 N 4.66 0.00 -6.56 7.08 3.08 -1.94 -3.45 114.38 117.25 1awh h ARG 173 Ca -0.32 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.20 1awh h ARG 173 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1awh h ARG 173 CO 0.41 0.00 0.52 0.42 -1.07 0.00 0.00 179.97 180.25 1awh s ILE 174 N -3.44 3.97 -0.78 2.04 -1.09 -1.26 -4.89 121.20 115.75 1awh s ILE 174 Ca 0.03 1.54 -0.24 0.00 -2.23 0.00 0.00 60.65 59.75 1awh s ILE 174 Cb 0.09 -3.99 -0.17 0.00 -1.58 0.00 0.00 42.46 36.81 1awh s ILE 174 CO 0.41 0.19 2.44 0.54 -1.23 0.00 0.00 174.94 177.28 1awh n ARG 175 N 3.17 0.49 -1.71 2.79 1.74 -1.26 -4.88 116.66 117.00 1awh n ARG 175 Ca 0.06 -0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 1awh n ARG 175 Cb 0.46 -2.63 -0.03 0.00 -1.02 0.00 0.00 32.46 29.24 1awh n ARG 175 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1awh s ILE 176 N 10.02 2.39 0.24 0.55 -1.09 -1.26 -4.88 121.20 127.18 1awh s ILE 176 Ca 1.12 0.03 0.03 0.00 -2.23 0.00 0.00 60.65 59.60 1awh s ILE 176 Cb -0.53 -3.02 0.03 0.00 -1.58 0.00 0.00 42.46 37.36 1awh s ILE 176 CO 0.32 0.00 0.25 0.35 -1.23 0.00 0.00 174.94 174.63 1awh n THR 177 N 4.55 0.00 1.81 2.92 -2.24 -1.26 -4.99 114.28 115.07 1awh n THR 177 Ca 0.17 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1awh n THR 177 Cb 0.37 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.10 1awh n THR 177 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1awh n ASP 178 N -2.27 0.00 -0.90 3.42 9.92 -1.26 -3.66 116.55 121.80 1awh n ASP 178 Ca 0.03 -1.81 0.01 0.00 -0.53 0.00 0.00 54.79 52.49 1awh n ASP 178 Cb 0.27 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 40.95 1awh n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1awh n ASN 179 N -0.50 2.18 -3.46 -2.24 3.02 -1.26 -4.90 115.26 108.09 1awh n ASN 179 Ca 0.00 -3.80 -0.12 0.00 -0.03 0.00 0.00 54.58 50.64 1awh n ASN 179 Cb 0.00 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.49 1awh n ASN 179 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1awh s MET 180 N -3.23 0.28 0.24 3.52 1.75 -1.24 -1.82 119.30 118.81 1awh s MET 180 Ca 0.42 0.55 0.10 0.00 -1.25 0.00 0.00 55.69 55.50 1awh s MET 180 Cb 0.39 -0.49 -0.04 0.00 2.84 0.00 0.00 34.83 37.52 1awh s MET 180 CO -0.03 -0.55 -0.06 -0.59 -0.65 0.00 0.00 175.02 173.14 1awh s PHE 181 N 2.49 2.61 0.03 4.11 -0.12 -0.67 -4.84 117.98 121.59 1awh s PHE 181 Ca 0.08 -0.24 0.00 0.00 -0.05 0.00 0.00 56.93 56.72 1awh s PHE 181 Cb -0.15 -1.18 0.00 0.00 -0.63 0.00 0.00 43.02 41.06 1awh s PHE 181 CO -0.14 0.61 0.02 0.00 -0.05 0.00 0.00 175.22 175.66 1awh s ALA 183 N -2.05 -2.00 0.00 0.00 0.00 -0.27 -3.39 121.76 114.05 1awh s ALA 183 Ca 0.01 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1awh s ALA 183 Cb -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1awh s ALA 183 CO 0.01 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1awh n GLY 184 N 0.43 3.79 3.75 0.00 0.00 0.18 -2.63 105.19 110.71 1awh n GLY 184 Ca -0.05 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 1awh n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1awh s TYR 184 N -2.00 2.37 0.23 1.61 2.02 -1.26 -4.68 117.35 115.64 1awh s TYR 184 Ca 0.00 1.60 -0.04 0.00 -0.37 0.00 0.00 57.07 58.26 1awh s TYR 184 Cb 0.00 -3.15 -0.05 0.00 -0.40 0.00 0.00 41.96 38.36 1awh s TYR 184 CO 0.00 -2.02 0.47 0.15 -1.57 0.00 0.00 175.55 172.58 1awh s LYS 185 N -4.66 3.61 0.63 -0.62 1.02 -1.26 -4.82 119.74 113.63 1awh s LYS 185 Ca 0.64 -0.10 0.41 0.00 0.02 0.00 0.00 55.97 56.94 1awh s LYS 185 Cb -0.19 -2.74 2.08 0.00 -0.52 0.00 0.00 37.83 36.46 1awh s LYS 185 CO 0.53 0.32 2.25 -1.35 -0.92 0.00 0.00 175.35 176.18 1awh h PRO 186 N 2.03 0.00 -0.75 -1.68 0.11 -1.95 0.30 132.00 130.06 1awh h PRO 186 Ca -0.47 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.76 1awh h PRO 186 Cb 1.18 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 1awh h PRO 186 CO 0.68 0.00 0.33 -0.44 -0.21 0.00 0.00 178.00 178.36 1awh h ASP 186 N 0.00 0.35 0.00 -2.05 3.32 -1.97 -3.38 116.42 112.69 1awh h ASP 186 Ca -0.00 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1awh h ASP 186 Cb 0.16 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1awh h ASP 186 CO 0.00 0.16 0.00 -0.62 -1.72 0.00 0.00 179.24 177.06 1awh n GLU 186 N -4.95 0.91 0.00 3.56 1.02 0.10 -4.87 120.64 116.41 1awh n GLU 186 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1awh n GLU 186 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1awh n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1awh n GLY 186 N 0.82 1.74 3.88 0.62 0.00 -1.26 -4.94 105.19 106.05 1awh n GLY 186 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1awh n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1awh s LYS 186 N 0.00 3.71 0.52 1.61 -0.14 -1.26 -5.12 119.74 119.06 1awh s LYS 186 Ca 0.00 0.42 0.03 0.00 -1.36 0.00 0.00 55.97 55.05 1awh s LYS 186 Cb 0.00 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.78 1awh s LYS 186 CO 0.00 -0.10 0.15 1.03 -0.76 0.00 0.00 175.35 175.67 1awh s ARG 187 N -4.13 2.22 0.00 1.68 0.52 -1.26 -4.76 118.95 113.21 1awh s ARG 187 Ca 0.50 -2.25 0.00 0.00 -0.52 0.00 0.00 55.73 53.46 1awh s ARG 187 Cb -0.10 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1awh s ARG 187 CO 0.36 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1awh n GLY 188 N -1.44 4.31 3.59 -3.53 0.00 -1.26 -4.86 105.19 102.01 1awh n GLY 188 Ca -0.13 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1awh n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1awh s ASP 189 N 0.00 -0.31 1.07 1.61 -1.08 -0.91 -4.51 116.67 112.55 1awh s ASP 189 Ca 0.00 0.36 -0.16 0.00 -0.52 0.00 0.00 52.55 52.22 1awh s ASP 189 Cb 0.00 0.28 0.10 0.00 -1.46 0.00 0.00 42.92 41.84 1awh s ASP 189 CO 0.00 -0.27 0.21 0.00 0.52 0.00 0.00 175.17 175.62 1awh n ALA 190 N 0.78 -3.59 -3.68 3.66 0.00 -1.26 0.13 120.51 116.55 1awh n ALA 190 Ca -0.09 -1.08 -0.01 0.00 0.00 0.00 0.00 53.44 52.26 1awh n ALA 190 Cb 0.58 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1awh n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1awh n GLU 192 N -0.45 2.11 0.00 0.00 4.71 -1.26 -1.09 120.64 124.66 1awh n GLU 192 Ca -0.07 0.76 0.00 0.00 -0.01 0.00 0.00 57.16 57.84 1awh n GLU 192 Cb 0.62 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.57 1awh n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1awh n GLY 193 N 2.79 1.14 0.00 0.62 0.00 -1.26 -0.86 105.19 107.62 1awh n GLY 193 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1awh n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1awh n ASP 194 N 0.00 0.00 -4.76 1.61 8.00 -0.25 -3.59 116.55 117.57 1awh n ASP 194 Ca 0.00 0.08 -0.39 0.00 0.71 0.00 0.00 54.79 55.19 1awh n ASP 194 Cb 0.00 -0.29 0.03 0.00 -0.02 0.00 0.00 41.12 40.83 1awh n ASP 194 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1awh s SER 195 N -2.59 5.61 0.00 -2.24 0.01 -1.26 -2.10 113.70 111.13 1awh s SER 195 Ca 0.15 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.15 1awh s SER 195 Cb 0.11 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1awh s SER 195 CO 0.24 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.17 1awh n GLY 196 N 0.65 2.79 3.92 3.44 0.00 -0.60 -0.13 105.19 115.26 1awh n GLY 196 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1awh n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1awh s GLY 197 N -1.88 1.74 0.14 -0.02 0.00 -0.89 -3.90 107.32 102.51 1awh s GLY 197 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 1awh s GLY 197 CO 0.00 -0.38 0.93 2.56 0.00 0.00 0.00 173.10 176.21 1awh s PRO 198 N -5.83 4.71 -0.31 2.90 0.04 -1.26 0.31 135.00 135.56 1awh s PRO 198 Ca 0.72 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 1awh s PRO 198 Cb -0.05 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1awh s PRO 198 CO 0.52 0.32 0.12 0.12 0.04 0.00 0.00 177.00 178.12 1awh s PHE 199 N -0.37 3.17 0.39 0.56 5.36 -0.05 -3.15 117.98 123.89 1awh s PHE 199 Ca 0.44 -0.83 0.07 0.00 -0.96 0.00 0.00 56.93 55.65 1awh s PHE 199 Cb -0.24 -2.31 -0.08 0.00 -0.34 0.00 0.00 43.02 40.06 1awh s PHE 199 CO 0.29 -0.54 0.01 0.14 -1.46 0.00 0.00 175.22 173.67 1awh s VAL 200 N 1.55 1.92 -0.02 3.12 -7.23 -0.71 0.19 120.40 119.22 1awh s VAL 200 Ca 0.03 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.11 1awh s VAL 200 Cb -0.17 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 33.83 1awh s VAL 200 CO 0.04 -0.02 0.16 -0.04 -0.31 0.00 0.00 175.10 174.94 1awh s MET 201 N -3.73 0.43 -0.32 4.82 -1.94 -0.60 0.41 119.30 118.37 1awh s MET 201 Ca 0.35 -0.23 -0.11 0.00 -1.71 0.00 0.00 55.69 53.99 1awh s MET 201 Cb 0.09 0.18 -0.02 0.00 2.01 0.00 0.00 34.83 37.10 1awh s MET 201 CO 0.18 -0.10 0.19 0.21 -0.01 0.00 0.00 175.02 175.49 1awh s LYS 202 N -1.02 3.50 -0.28 2.03 2.20 -1.26 0.10 119.74 125.01 1awh s LYS 202 Ca -0.11 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 54.58 1awh s LYS 202 Cb -0.06 -3.67 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 1awh s LYS 202 CO 0.01 -0.39 1.37 0.45 -0.36 0.00 0.00 175.35 176.43 1awh s SER 203 N 1.68 6.62 0.45 1.43 0.15 -0.97 -4.95 113.70 118.12 1awh s SER 203 Ca 0.06 1.31 0.30 0.00 0.70 0.00 0.00 55.95 58.32 1awh s SER 203 Cb -0.17 -2.54 1.40 0.00 -1.71 0.00 0.00 66.02 63.00 1awh s SER 203 CO 0.09 -1.11 1.67 -0.65 1.20 0.00 0.00 173.24 174.44 1awh h PRO 204 N 9.57 0.13 0.55 5.44 0.11 -1.97 -3.09 132.00 142.74 1awh h PRO 204 Ca -0.28 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1awh h PRO 204 Cb 1.11 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1awh h PRO 204 CO 1.02 0.09 -0.26 0.35 -0.21 0.00 0.00 178.00 178.99 1awh h PHE 204 N 0.14 -0.68 -3.61 0.65 3.04 -2.00 -3.43 116.94 111.05 1awh h PHE 204 Ca 0.75 -0.02 -0.70 0.00 3.98 0.00 0.00 57.97 61.98 1awh h PHE 204 Cb 2.42 0.22 -0.26 0.00 2.56 0.00 0.00 35.95 40.89 1awh h PHE 204 CO -0.00 -0.40 -0.55 0.54 -2.02 0.00 0.00 178.31 175.88 1awh s ASN 204 N -4.72 5.57 -1.53 0.41 4.22 -1.17 -5.00 114.94 112.72 1awh s ASN 204 Ca -0.12 -1.08 -0.09 0.00 -2.14 0.00 0.00 52.86 49.43 1awh s ASN 204 Cb 0.01 -1.96 -0.02 0.00 1.28 0.00 0.00 41.25 40.56 1awh s ASN 204 CO 0.36 -0.37 2.74 -0.46 -2.04 0.00 0.00 177.10 177.32 1awh n ASN 205 N 4.92 8.11 -4.48 3.54 6.94 -1.24 -4.34 115.26 128.71 1awh n ASN 205 Ca -0.12 -2.75 -0.27 0.00 -0.02 0.00 0.00 54.58 51.42 1awh n ASN 205 Cb 0.45 -1.52 -0.11 0.00 -2.36 0.00 0.00 39.78 36.25 1awh n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1awh s ARG 206 N 1.38 1.74 0.02 -3.83 1.70 -1.26 -4.86 118.95 113.84 1awh s ARG 206 Ca 0.63 -1.41 -0.23 0.00 -0.47 0.00 0.00 55.73 54.25 1awh s ARG 206 Cb 0.18 -1.98 -0.05 0.00 -0.57 0.00 0.00 34.95 32.52 1awh s ARG 206 CO -0.07 0.42 0.70 -1.58 -1.08 0.00 0.00 175.30 173.69 1awh s TRP 207 N -1.65 3.71 -0.06 5.89 0.52 -1.26 -2.28 118.94 123.81 1awh s TRP 207 Ca 0.22 1.37 0.02 0.00 0.02 0.00 0.00 56.10 57.72 1awh s TRP 207 Cb -0.08 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.46 1awh s TRP 207 CO 0.12 0.29 -0.08 0.71 0.02 0.00 0.00 176.95 178.00 1awh s TYR 208 N -0.04 2.89 -0.51 -1.98 2.02 0.12 -2.57 117.35 117.27 1awh s TYR 208 Ca 0.36 -0.01 -0.28 0.00 -0.37 0.00 0.00 57.07 56.77 1awh s TYR 208 Cb -0.20 -1.69 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1awh s TYR 208 CO 0.21 0.31 1.11 -1.14 -1.57 0.00 0.00 175.55 174.47 1awh s GLN 209 N -0.86 3.62 0.08 -0.62 0.74 -0.24 -1.56 119.66 120.82 1awh s GLN 209 Ca 0.13 0.37 0.13 0.00 0.05 0.00 0.00 55.36 56.04 1awh s GLN 209 Cb -0.11 -3.95 -0.15 0.00 1.10 0.00 0.00 33.01 29.90 1awh s GLN 209 CO 0.02 -1.45 0.97 1.98 -0.55 0.00 0.00 175.29 176.25 1awh h MET 210 N 9.31 0.00 0.00 1.67 4.05 0.18 -3.40 114.93 126.74 1awh h MET 210 Ca -0.24 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 58.98 1awh h MET 210 Cb 1.06 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.82 1awh h MET 210 CO 1.13 0.53 -0.01 0.41 0.23 0.00 0.00 176.91 179.20 1awh n GLY 211 N 1.41 1.72 3.06 1.39 0.00 0.47 -3.15 105.19 110.08 1awh n GLY 211 Ca -0.08 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1awh n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1awh s ILE 212 N -2.59 1.70 0.34 -0.61 1.01 -1.12 -0.88 121.20 119.06 1awh s ILE 212 Ca 0.25 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.90 1awh s ILE 212 Cb -0.02 -1.57 -0.12 0.00 0.01 0.00 0.00 42.46 40.76 1awh s ILE 212 CO 0.18 0.48 1.28 0.52 0.00 0.00 0.00 174.94 177.40 1awh n VAL 213 N 4.61 2.00 0.16 2.92 0.31 0.15 -0.78 118.33 127.69 1awh n VAL 213 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1awh n VAL 213 Cb 0.50 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1awh n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1awh n SER 214 N 0.78 -0.72 -1.72 4.52 2.88 -1.06 -1.56 113.62 116.74 1awh n SER 214 Ca 0.05 0.55 -0.05 0.00 -1.33 0.00 0.00 58.87 58.09 1awh n SER 214 Cb 0.36 0.88 -0.00 0.00 -0.75 0.00 0.00 64.21 64.70 1awh n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1awh n TRP 215 N -3.47 -1.06 0.00 0.66 4.27 -0.72 -4.93 117.44 112.19 1awh n TRP 215 Ca 0.00 -0.82 0.00 0.00 -3.89 0.00 0.00 57.50 52.79 1awh n TRP 215 Cb 0.00 0.26 0.00 0.00 -1.36 0.00 0.00 31.31 30.21 1awh n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1awh n GLY 216 N -0.21 2.76 3.18 -1.67 0.00 -1.26 -1.17 105.19 106.82 1awh n GLY 216 Ca -0.01 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 1awh n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1awh s GLU 217 N -2.00 3.59 0.00 1.61 2.02 -1.26 -5.00 118.70 117.66 1awh s GLU 217 Ca 0.00 -3.28 0.00 0.00 0.02 0.00 0.00 54.97 51.71 1awh s GLU 217 Cb 0.00 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 30.08 1awh s GLU 217 CO 0.00 -1.26 0.00 0.41 0.02 0.00 0.00 175.26 174.43 1awh n GLY 219 N 2.42 -1.32 2.98 -1.39 0.00 -1.26 -4.69 105.19 101.92 1awh n GLY 219 Ca 0.22 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 1awh n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1awh n ASP 221 N 4.57 -3.88 -4.89 0.00 2.03 -1.26 -4.77 116.55 108.35 1awh n ASP 221 Ca -0.16 -0.68 -0.31 0.00 0.52 0.00 0.00 54.79 54.15 1awh n ASP 221 Cb 0.51 -4.53 -0.05 0.00 -0.72 0.00 0.00 41.12 36.33 1awh n ASP 221 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1awh s ARG 221 N -6.12 3.70 -0.15 -0.67 3.03 -1.26 -5.01 118.95 112.48 1awh s ARG 221 Ca 0.35 0.09 -0.31 0.00 2.03 0.00 0.00 55.73 57.90 1awh s ARG 221 Cb -0.17 -2.71 -0.08 0.00 -1.03 0.00 0.00 34.95 30.96 1awh s ARG 221 CO 0.78 0.34 2.10 -0.25 -1.13 0.00 0.00 175.30 177.14 1awh n ASP 222 N -0.26 3.39 0.00 -2.89 8.00 -1.26 -0.78 116.55 122.76 1awh n ASP 222 Ca -0.01 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1awh n ASP 222 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1awh n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1awh n GLY 223 N 5.32 3.30 3.97 0.44 0.00 -1.26 -5.02 105.19 111.94 1awh n GLY 223 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 1awh n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1awh s LYS 224 N -0.82 3.41 0.05 1.61 -0.14 0.04 -4.82 119.74 119.07 1awh s LYS 224 Ca 0.00 -0.76 0.03 0.00 -1.36 0.00 0.00 55.97 53.88 1awh s LYS 224 Cb 0.00 -2.87 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 1awh s LYS 224 CO 0.00 0.37 -0.09 0.71 -0.76 0.00 0.00 175.35 175.58 1awh s TYR 225 N -2.03 0.78 0.23 3.18 1.51 -1.26 -4.69 117.35 115.07 1awh s TYR 225 Ca 0.36 -0.52 -0.17 0.00 -1.01 0.00 0.00 57.07 55.73 1awh s TYR 225 Cb -0.09 -0.46 -0.08 0.00 -0.11 0.00 0.00 41.96 41.22 1awh s TYR 225 CO 0.30 -0.06 0.69 0.20 -1.11 0.00 0.00 175.55 175.56 1awh s GLY 226 N -1.69 2.51 -0.08 0.71 0.00 -1.08 -4.67 107.32 103.01 1awh s GLY 226 Ca -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 1awh s GLY 226 CO 0.00 0.36 -0.02 -1.36 0.00 0.00 0.00 173.10 172.09 1awh s PHE 227 N -1.64 3.10 -0.00 1.90 0.40 -0.32 -1.11 117.98 120.32 1awh s PHE 227 Ca 0.45 0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.99 1awh s PHE 227 Cb -0.15 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1awh s PHE 227 CO 0.20 0.42 -0.23 0.71 0.70 0.00 0.00 175.22 177.01 1awh s TYR 228 N -0.82 2.09 0.35 0.36 1.51 0.11 -1.76 117.35 119.19 1awh s TYR 228 Ca 0.12 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 55.53 1awh s TYR 228 Cb -0.11 -1.32 -0.09 0.00 -0.11 0.00 0.00 41.96 40.33 1awh s TYR 228 CO 0.02 -0.00 1.09 0.99 -1.11 0.00 0.00 175.55 176.54 1awh s THR 229 N -0.61 3.51 -1.10 -0.71 2.01 0.04 -1.67 115.64 117.10 1awh s THR 229 Ca 0.09 1.32 -0.17 0.00 0.31 0.00 0.00 61.69 63.24 1awh s THR 229 Cb -0.09 -3.76 0.13 0.00 0.01 0.00 0.00 72.50 68.79 1awh s THR 229 CO -0.00 0.17 1.37 -2.28 -0.69 0.00 0.00 174.62 173.19 1awh s HIS 230 N -1.41 3.16 0.00 4.92 2.46 -0.76 -2.78 115.29 120.89 1awh s HIS 230 Ca 0.52 -1.66 0.00 0.00 0.47 0.00 0.00 55.06 54.39 1awh s HIS 230 Cb -0.28 -4.41 0.00 0.00 -0.13 0.00 0.00 32.58 27.76 1awh s HIS 230 CO 0.35 -1.55 0.83 0.28 -2.47 0.00 0.00 174.74 172.18 1awh n VAL 231 N 5.43 0.00 -0.29 0.89 0.31 -1.19 -1.05 118.33 122.43 1awh n VAL 231 Ca 0.34 1.29 0.20 0.00 -0.01 0.00 0.00 64.34 66.15 1awh n VAL 231 Cb 0.46 -1.75 0.38 0.00 -0.91 0.00 0.00 33.84 32.02 1awh n VAL 231 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1awh n PHE 232 N -2.55 0.77 -0.08 3.52 -0.00 -1.26 0.49 117.46 118.35 1awh n PHE 232 Ca 0.00 1.02 -0.01 0.00 -0.00 0.00 0.00 57.45 58.46 1awh n PHE 232 Cb 0.00 -1.28 0.25 0.00 -0.00 0.00 0.00 39.48 38.45 1awh n PHE 232 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1awh h ARG 233 N 0.00 0.71 0.00 -4.13 2.47 -1.46 -2.35 114.38 109.62 1awh h ARG 233 Ca 0.62 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 59.21 1awh h ARG 233 Cb 1.49 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1awh h ARG 233 CO -0.73 0.64 -0.84 -0.07 0.56 0.00 0.00 179.97 179.53 1awh h LEU 234 N 0.70 0.00 -0.72 3.04 3.38 0.37 -3.42 115.31 118.66 1awh h LEU 234 Ca 0.16 -0.09 0.30 0.00 0.09 0.00 0.00 57.88 58.33 1awh h LEU 234 Cb 0.25 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.87 1awh h LEU 234 CO -0.00 0.05 0.37 1.17 0.09 0.00 0.00 178.44 180.11 1awh n LYS 235 N -2.46 -0.04 -0.22 1.13 4.81 0.16 0.24 118.16 121.77 1awh n LYS 235 Ca 0.01 1.00 -0.03 0.00 -0.87 0.00 0.00 58.31 58.42 1awh n LYS 235 Cb 0.51 -1.78 0.08 0.00 0.02 0.00 0.00 35.03 33.85 1awh n LYS 235 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1awh h LYS 236 N 0.00 0.69 -0.11 1.64 1.63 -1.81 -0.87 116.57 117.74 1awh h LYS 236 Ca 0.60 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.40 1awh h LYS 236 Cb 1.58 -0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 32.99 1awh h LYS 236 CO -0.56 0.45 -0.40 2.35 -3.45 0.00 0.00 179.45 177.84 1awh h TRP 237 N 0.71 -1.15 -0.97 1.91 7.01 -0.55 0.07 115.95 122.98 1awh h TRP 237 Ca 0.27 0.04 0.14 0.00 2.11 0.00 0.00 58.89 61.45 1awh h TRP 237 Cb 0.10 0.52 -0.15 0.00 -2.10 0.00 0.00 29.16 27.53 1awh h TRP 237 CO -0.07 -0.47 -0.42 -0.89 -2.79 0.00 0.00 178.44 173.81 1awh n ILE 238 N -5.43 -0.54 0.26 2.65 5.41 -0.98 -0.24 119.36 120.49 1awh n ILE 238 Ca -0.04 2.29 0.14 0.00 1.00 0.00 0.00 62.75 66.14 1awh n ILE 238 Cb 0.36 -2.99 0.71 0.00 -0.71 0.00 0.00 39.64 37.01 1awh n ILE 238 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1awh h GLN 239 N 0.00 0.00 -0.37 0.38 4.20 -0.19 -0.92 115.11 118.21 1awh h GLN 239 Ca 0.30 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.07 1awh h GLN 239 Cb 0.55 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 1awh h GLN 239 CO -0.95 0.11 0.08 0.87 -0.67 0.00 0.00 178.83 178.27 1awh h LYS 240 N 0.00 0.21 0.30 1.46 6.56 0.13 -0.02 116.57 125.21 1awh h LYS 240 Ca -0.00 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 1awh h LYS 240 Cb 0.41 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1awh h LYS 240 CO 0.01 0.14 -0.14 0.28 -2.06 0.00 0.00 179.45 177.68 1awh h VAL 241 N 0.21 0.00 -1.14 0.50 2.07 -0.74 -0.67 116.25 116.48 1awh h VAL 241 Ca 0.17 -0.32 0.32 0.00 0.82 0.00 0.00 66.70 67.69 1awh h VAL 241 Cb 0.19 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.90 1awh h VAL 241 CO -0.22 0.00 0.80 0.40 0.02 0.00 0.00 177.57 178.57 1awh h ILE 242 N -0.73 0.43 0.00 4.57 2.04 -1.39 0.38 117.51 122.81 1awh h ILE 242 Ca -0.04 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1awh h ILE 242 Cb 0.31 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1awh h ILE 242 CO 0.07 0.02 0.00 0.47 0.00 0.00 0.00 178.15 178.71 1awh n ASP 243 N -4.32 0.00 0.00 1.72 9.92 -0.02 -4.75 116.55 119.10 1awh n ASP 243 Ca 0.26 0.82 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 1awh n ASP 243 Cb 1.14 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 1awh n ASP 243 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1awh n GLN 244 N -1.97 0.00 0.00 -1.24 3.00 0.12 -4.57 117.38 112.72 1awh n GLN 244 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1awh n GLN 244 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1awh n GLN 244 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1awh n PHE 245 N 0.00 0.00 -4.56 1.08 1.16 -1.26 -5.08 117.46 108.80 1awh n PHE 245 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.31 1awh n PHE 245 Cb 0.00 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 37.79 1awh n PHE 245 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1awh s GLY 246 N 0.00 2.76 0.00 4.97 0.00 -1.26 -5.14 107.32 108.64 1awh s GLY 246 Ca 0.00 -1.02 0.15 0.00 0.00 0.00 0.00 44.72 43.85 1awh s GLY 246 CO 0.00 -1.88 0.97 -2.21 0.00 0.00 0.00 173.10 169.98