#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghw s VAL 17 N 0.00 3.75 -1.23 1.39 1.01 -0.39 -4.06 120.40 120.87 1ghw s VAL 17 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1ghw s VAL 17 Cb 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1ghw s VAL 17 CO 0.00 0.52 1.07 -0.62 0.00 0.00 0.00 175.10 176.07 1ghw n GLU 18 N 3.28 -7.18 -3.36 2.72 -0.58 -1.26 -2.53 120.64 111.73 1ghw n GLU 18 Ca -0.18 0.77 -0.20 0.00 -0.42 0.00 0.00 57.16 57.13 1ghw n GLU 18 Cb 0.53 -5.62 -0.01 0.00 -0.57 0.00 0.00 31.44 25.76 1ghw n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ghw n GLY 19 N -1.77 3.06 3.44 0.62 0.00 -1.26 -4.67 105.19 104.61 1ghw n GLY 19 Ca -0.04 -2.28 -0.22 0.00 0.00 0.00 0.00 46.02 43.48 1ghw n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ghw s SER 20 N -3.24 2.25 0.41 1.61 1.04 -0.01 -4.87 113.70 110.88 1ghw s SER 20 Ca 0.17 -1.52 -0.25 0.00 0.48 0.00 0.00 55.95 54.82 1ghw s SER 20 Cb -0.01 0.25 -0.08 0.00 0.10 0.00 0.00 66.02 66.28 1ghw s SER 20 CO 0.11 -0.80 1.16 -1.81 0.98 0.00 0.00 173.24 172.88 1ghw s ASP 21 N -3.49 6.50 0.76 7.02 1.01 -1.26 -0.71 116.67 126.49 1ghw s ASP 21 Ca 0.31 2.32 -0.10 0.00 0.71 0.00 0.00 52.55 55.79 1ghw s ASP 21 Cb 0.06 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.44 1ghw s ASP 21 CO 0.15 -0.69 1.11 0.00 0.21 0.00 0.00 175.17 175.96 1ghw s ALA 22 N -1.44 2.85 0.47 5.23 0.00 0.82 -4.72 121.76 124.97 1ghw s ALA 22 Ca 0.58 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1ghw s ALA 22 Cb -0.30 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 19.99 1ghw s ALA 22 CO 0.37 -1.48 0.68 -1.21 0.00 0.00 0.00 175.76 174.13 1ghw s GLU 23 N -5.43 2.88 0.15 0.00 2.02 -1.26 -4.90 118.70 112.15 1ghw s GLU 23 Ca 0.61 -0.68 -0.30 0.00 0.02 0.00 0.00 54.97 54.61 1ghw s GLU 23 Cb -0.11 -2.57 -0.08 0.00 0.10 0.00 0.00 34.13 31.47 1ghw s GLU 23 CO 0.48 -0.39 1.30 0.42 0.02 0.00 0.00 175.26 177.09 1ghw s ILE 24 N -2.58 3.41 -0.50 -1.63 -1.09 -1.26 -2.70 121.20 114.85 1ghw s ILE 24 Ca 0.51 1.09 0.00 0.00 -2.23 0.00 0.00 60.65 60.03 1ghw s ILE 24 Cb -0.10 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1ghw s ILE 24 CO 0.37 0.13 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1ghw n GLY 25 N 2.81 0.69 0.26 6.18 0.00 -1.26 -4.92 105.19 108.95 1ghw n GLY 25 Ca 0.08 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1ghw n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ghw h MET 26 N 0.28 0.86 -2.10 1.61 -1.53 -1.88 -3.36 114.93 108.82 1ghw h MET 26 Ca -0.10 -0.41 -0.58 0.00 -3.44 0.00 0.00 59.70 55.18 1ghw h MET 26 Cb 0.55 -0.01 -0.41 0.00 -0.55 0.00 0.00 31.60 31.19 1ghw h MET 26 CO 0.14 1.05 -0.85 0.43 0.14 0.00 0.00 176.91 177.82 1ghw n SER 27 N -4.08 2.00 0.00 1.39 7.64 -1.26 -4.96 113.62 114.36 1ghw n SER 27 Ca -0.01 -3.08 0.02 0.00 1.01 0.00 0.00 58.87 56.80 1ghw n SER 27 Cb 0.50 -0.65 0.08 0.00 -1.01 0.00 0.00 64.21 63.13 1ghw n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ghw n PRO 28 N 1.07 0.03 0.00 1.43 -0.04 -1.26 -0.84 135.00 135.40 1ghw n PRO 28 Ca 0.26 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1ghw n PRO 28 Cb 0.47 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 1ghw n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ghw n TRP 29 N -1.36 0.00 -2.16 0.54 2.14 -1.05 -1.53 117.44 114.02 1ghw n TRP 29 Ca 0.01 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.17 1ghw n TRP 29 Cb 0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.50 1ghw n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ghw s GLN 30 N -2.30 4.35 0.25 -2.67 2.00 -0.02 -1.25 119.66 120.03 1ghw s GLN 30 Ca 0.23 2.12 0.11 0.00 -2.00 0.00 0.00 55.36 55.82 1ghw s GLN 30 Cb 0.19 -3.18 -0.05 0.00 0.80 0.00 0.00 33.01 30.77 1ghw s GLN 30 CO 0.47 -0.32 -0.19 0.08 -0.50 0.00 0.00 175.29 174.82 1ghw s VAL 31 N 0.27 2.28 -0.11 1.34 1.01 -0.63 -4.14 120.40 120.42 1ghw s VAL 31 Ca 0.59 -2.32 0.02 0.00 0.00 0.00 0.00 61.98 60.26 1ghw s VAL 31 Cb -0.38 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1ghw s VAL 31 CO 0.38 -0.42 -0.16 -0.32 0.00 0.00 0.00 175.10 174.58 1ghw s MET 32 N -3.46 2.26 -0.24 2.72 1.75 -0.85 -2.36 119.30 119.12 1ghw s MET 32 Ca 0.27 -0.58 -0.16 0.00 -1.25 0.00 0.00 55.69 53.98 1ghw s MET 32 Cb -0.04 -1.92 -0.04 0.00 2.84 0.00 0.00 34.83 35.67 1ghw s MET 32 CO 0.13 -0.06 0.40 -0.51 -0.65 0.00 0.00 175.02 174.32 1ghw s LEU 33 N 0.99 4.09 0.08 4.11 1.43 -0.28 -1.21 118.68 127.88 1ghw s LEU 33 Ca -0.06 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1ghw s LEU 33 Cb -0.15 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1ghw s LEU 33 CO -0.02 -0.15 -0.16 0.12 0.23 0.00 0.00 176.35 176.38 1ghw s PHE 34 N 1.77 2.61 -0.04 0.29 5.36 0.43 -1.35 117.98 127.05 1ghw s PHE 34 Ca 0.17 -0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 55.89 1ghw s PHE 34 Cb -0.15 -1.43 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 1ghw s PHE 34 CO 0.09 0.34 0.13 0.50 -1.46 0.00 0.00 175.22 174.81 1ghw s ARG 35 N -1.82 3.29 -0.10 10.12 3.52 0.41 -1.29 118.95 133.08 1ghw s ARG 35 Ca 0.17 -0.34 -0.27 0.00 -0.13 0.00 0.00 55.73 55.17 1ghw s ARG 35 Cb -0.11 -3.02 -0.23 0.00 -1.56 0.00 0.00 34.95 30.03 1ghw s ARG 35 CO 0.09 0.69 0.88 0.87 -0.81 0.00 0.00 175.30 177.02 1ghw h LYS 36 N 4.27 -0.01 -3.12 5.12 1.57 -1.80 -2.71 116.57 119.89 1ghw h LYS 36 Ca -0.51 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 57.99 1ghw h LYS 36 Cb 1.20 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.16 1ghw h LYS 36 CO 0.63 0.79 -0.63 0.45 -0.57 0.00 0.00 179.45 180.13 1ghw s SER 36 N -6.02 0.56 0.78 0.86 0.15 -1.26 -2.83 113.70 105.93 1ghw s SER 36 Ca -0.17 0.33 -0.14 0.00 0.70 0.00 0.00 55.95 56.67 1ghw s SER 36 Cb -0.02 0.26 0.07 0.00 -1.71 0.00 0.00 66.02 64.63 1ghw s SER 36 CO 0.65 -0.22 1.23 -2.16 1.20 0.00 0.00 173.24 173.93 1ghw s PRO 37 N 2.06 1.80 -0.25 5.44 0.04 -1.26 -5.04 135.00 137.78 1ghw s PRO 37 Ca 0.00 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1ghw s PRO 37 Cb -0.12 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1ghw s PRO 37 CO -0.06 -2.11 1.11 -0.65 0.04 0.00 0.00 177.00 175.33 1ghw s GLN 38 N -3.99 4.17 0.14 4.56 -0.21 -1.13 -4.59 119.66 118.61 1ghw s GLN 38 Ca 0.75 1.31 -0.22 0.00 0.02 0.00 0.00 55.36 57.22 1ghw s GLN 38 Cb -0.31 -3.71 0.06 0.00 1.00 0.00 0.00 33.01 30.06 1ghw s GLN 38 CO 0.48 -0.77 0.56 -1.83 -2.12 0.00 0.00 175.29 171.62 1ghw s GLU 39 N 3.47 1.23 -0.10 2.91 -1.05 -1.02 -4.93 118.70 119.21 1ghw s GLU 39 Ca 0.47 -0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 54.51 1ghw s GLU 39 Cb -0.15 0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 34.08 1ghw s GLU 39 CO 0.12 -0.52 1.13 -1.17 0.95 0.00 0.00 175.26 175.77 1ghw s LEU 40 N -2.68 4.24 -0.22 1.83 2.96 -1.26 -0.44 118.68 123.10 1ghw s LEU 40 Ca 0.01 1.67 -0.15 0.00 -0.22 0.00 0.00 54.13 55.43 1ghw s LEU 40 Cb -0.00 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.04 1ghw s LEU 40 CO -0.12 -0.57 -0.34 -0.11 -1.32 0.00 0.00 176.35 173.90 1ghw n LEU 41 N 5.41 1.88 0.00 -0.68 7.94 -0.45 -4.94 117.00 126.16 1ghw n LEU 41 Ca 0.11 0.32 -0.05 0.00 -1.11 0.00 0.00 56.01 55.28 1ghw n LEU 41 Cb 0.47 -0.75 0.02 0.00 0.53 0.00 0.00 43.42 43.68 1ghw n LEU 41 CO 0.54 0.17 0.30 0.00 -1.11 0.00 0.00 177.39 177.29 1ghw s GLY 43 N -2.18 2.14 0.23 0.00 0.00 -0.03 -1.13 107.32 106.35 1ghw s GLY 43 Ca 0.09 -1.79 -0.21 0.00 0.00 0.00 0.00 44.72 42.81 1ghw s GLY 43 CO 0.06 -1.73 0.95 0.00 0.00 0.00 0.00 173.10 172.38 1ghw s ALA 44 N -2.54 -1.39 0.06 3.20 0.00 -1.00 -3.47 121.76 116.62 1ghw s ALA 44 Ca 0.47 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1ghw s ALA 44 Cb -0.04 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 1ghw s ALA 44 CO 0.28 -1.04 -0.08 -1.54 0.00 0.00 0.00 175.76 173.38 1ghw s SER 45 N -3.22 0.99 -0.30 0.00 1.04 -0.37 -1.61 113.70 110.23 1ghw s SER 45 Ca 0.18 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 55.79 1ghw s SER 45 Cb -0.03 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 1ghw s SER 45 CO 0.06 -0.25 0.44 -0.22 0.98 0.00 0.00 173.24 174.25 1ghw s LEU 46 N -1.91 4.20 -0.01 2.42 0.20 -0.38 -1.50 118.68 121.69 1ghw s LEU 46 Ca -0.05 0.15 0.11 0.00 0.69 0.00 0.00 54.13 55.04 1ghw s LEU 46 Cb -0.07 -2.50 -0.15 0.00 -0.43 0.00 0.00 46.19 43.04 1ghw s LEU 46 CO -0.01 -0.32 0.34 2.30 -0.29 0.00 0.00 176.35 178.38 1ghw n ILE 47 N 5.24 0.00 -3.55 6.68 -5.35 -0.76 -1.09 119.36 120.53 1ghw n ILE 47 Ca -0.07 -0.25 -0.05 0.00 -0.27 0.00 0.00 62.75 62.11 1ghw n ILE 47 Cb 0.50 0.55 -0.00 0.00 -1.74 0.00 0.00 39.64 38.95 1ghw n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ghw n SER 48 N -1.64 -0.74 -0.01 7.28 3.41 -1.20 -4.64 113.62 116.09 1ghw n SER 48 Ca -0.00 -1.71 0.14 0.00 -0.26 0.00 0.00 58.87 57.03 1ghw n SER 48 Cb 0.25 1.29 0.62 0.00 -0.26 0.00 0.00 64.21 66.10 1ghw n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ghw n ASP 49 N -1.58 0.08 0.00 4.04 5.75 -1.26 -3.90 116.55 119.68 1ghw n ASP 49 Ca -0.02 0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 1ghw n ASP 49 Cb 0.24 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1ghw n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ghw n ARG 50 N -1.41 3.00 -5.15 0.11 3.00 -1.26 -1.49 116.66 113.47 1ghw n ARG 50 Ca 0.09 -0.14 -0.32 0.00 -0.01 0.00 0.00 57.85 57.48 1ghw n ARG 50 Cb 0.31 -0.56 -0.16 0.00 0.00 0.00 0.00 32.46 32.06 1ghw n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1ghw s TRP 51 N -0.47 2.52 -0.01 -1.55 0.52 -1.25 -0.66 118.94 118.04 1ghw s TRP 51 Ca 0.00 -0.61 0.08 0.00 0.02 0.00 0.00 56.10 55.59 1ghw s TRP 51 Cb 0.00 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 1ghw s TRP 51 CO 0.00 -0.14 -0.25 0.08 0.02 0.00 0.00 176.95 176.66 1ghw s VAL 52 N -0.21 1.97 -0.07 4.03 1.01 -0.41 -1.83 120.40 124.89 1ghw s VAL 52 Ca -0.01 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1ghw s VAL 52 Cb -0.13 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1ghw s VAL 52 CO 0.03 0.51 -0.11 -0.22 0.00 0.00 0.00 175.10 175.32 1ghw s LEU 53 N -0.70 2.90 0.00 3.92 2.96 -0.56 -0.75 118.68 126.45 1ghw s LEU 53 Ca 0.10 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1ghw s LEU 53 Cb -0.10 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.97 1ghw s LEU 53 CO -0.00 0.31 0.01 1.07 -1.32 0.00 0.00 176.35 176.42 1ghw n THR 54 N 2.55 0.00 -3.77 3.68 5.66 -0.56 -1.24 114.28 120.61 1ghw n THR 54 Ca -0.18 -0.03 -0.36 0.00 -3.05 0.00 0.00 64.05 60.43 1ghw n THR 54 Cb 0.53 0.02 -0.07 0.00 -1.55 0.00 0.00 70.33 69.26 1ghw n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ghw s ALA 55 N -1.49 3.78 0.46 1.79 0.00 -1.26 -1.41 121.76 123.63 1ghw s ALA 55 Ca 0.01 -0.61 0.11 0.00 0.00 0.00 0.00 51.96 51.47 1ghw s ALA 55 Cb -0.00 -2.11 1.04 0.00 0.00 0.00 0.00 23.12 22.06 1ghw s ALA 55 CO 0.00 0.41 2.09 0.00 0.00 0.00 0.00 175.76 178.27 1ghw h ALA 56 N 5.67 1.83 0.00 0.00 0.00 -1.70 -1.91 119.26 123.14 1ghw h ALA 56 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ghw h ALA 56 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ghw h ALA 56 CO 0.66 0.15 0.00 -2.39 0.00 0.00 0.00 179.25 177.67 1ghw n HIS 57 N -4.49 0.00 0.23 0.00 1.44 -1.26 -0.93 115.22 110.21 1ghw n HIS 57 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1ghw n HIS 57 Cb 0.09 -0.50 0.29 0.00 0.12 0.00 0.00 29.99 29.99 1ghw n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ghw n LEU 59 N -3.11 2.75 -3.92 0.00 4.77 -0.34 -4.92 117.00 112.24 1ghw n LEU 59 Ca 0.03 -0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 1ghw n LEU 59 Cb 0.48 -0.31 -0.16 0.00 -2.33 0.00 0.00 43.42 41.09 1ghw n LEU 59 CO 0.33 0.64 -0.44 -0.22 -1.33 0.00 0.00 177.39 176.36 1ghw s LEU 60 N -5.52 1.64 0.16 2.23 2.96 -0.10 -0.81 118.68 119.24 1ghw s LEU 60 Ca -0.13 -0.62 -0.17 0.00 -0.22 0.00 0.00 54.13 52.99 1ghw s LEU 60 Cb 0.03 -0.97 0.03 0.00 0.50 0.00 0.00 46.19 45.79 1ghw s LEU 60 CO 0.24 -0.16 0.47 -0.47 -1.32 0.00 0.00 176.35 175.11 1ghw s TYR 60 N 1.60 -0.17 0.00 5.38 5.04 -0.02 -4.19 117.35 124.99 1ghw s TYR 60 Ca 0.01 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 1ghw s TYR 60 Cb -0.15 0.33 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1ghw s TYR 60 CO -0.08 -0.81 0.00 -2.30 -1.34 0.00 0.00 175.55 171.02 1ghw n PRO 60 N -0.29 0.00 -0.31 4.97 -0.02 -1.26 -1.94 135.00 136.15 1ghw n PRO 60 Ca -0.13 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.44 1ghw n PRO 60 Cb 0.63 -0.39 0.22 0.00 -0.02 0.00 0.00 33.50 33.94 1ghw n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ghw n TRP 60 N 0.00 0.61 -3.85 6.00 8.01 -1.26 -4.98 117.44 121.96 1ghw n TRP 60 Ca 0.00 -0.91 -0.28 0.00 -1.31 0.00 0.00 57.50 55.00 1ghw n TRP 60 Cb 0.00 -0.25 0.03 0.00 -2.01 0.00 0.00 31.31 29.08 1ghw n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ghw n ASP 60 N -0.81 -3.90 -4.76 -0.99 8.00 -1.12 -4.96 116.55 108.01 1ghw n ASP 60 Ca 0.19 -0.78 -0.36 0.00 0.71 0.00 0.00 54.79 54.55 1ghw n ASP 60 Cb 0.80 -3.96 -0.07 0.00 -0.02 0.00 0.00 41.12 37.86 1ghw n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ghw s LYS 60 N -6.45 4.05 -0.40 -1.24 -0.14 -0.82 -4.97 119.74 109.78 1ghw s LYS 60 Ca 0.49 -0.11 0.02 0.00 -1.36 0.00 0.00 55.97 55.01 1ghw s LYS 60 Cb -0.24 -3.37 0.19 0.00 -1.68 0.00 0.00 37.83 32.72 1ghw s LYS 60 CO 0.82 0.39 0.80 1.21 -0.76 0.00 0.00 175.35 177.81 1ghw s ASN 60 N 0.07 -1.09 0.33 2.83 2.47 -1.08 -0.84 114.94 117.63 1ghw s ASN 60 Ca 0.12 -0.73 -0.02 0.00 0.42 0.00 0.00 52.86 52.65 1ghw s ASN 60 Cb -0.12 1.40 -0.04 0.00 -1.45 0.00 0.00 41.25 41.04 1ghw s ASN 60 CO 0.01 -0.10 0.56 -0.36 -3.72 0.00 0.00 177.10 173.49 1ghw s PHE 60 N 1.65 3.50 0.32 0.43 0.08 0.01 -5.01 117.98 118.96 1ghw s PHE 60 Ca 0.18 0.51 0.08 0.00 0.12 0.00 0.00 56.93 57.82 1ghw s PHE 60 Cb 0.00 -2.01 -0.06 0.00 -0.57 0.00 0.00 43.02 40.37 1ghw s PHE 60 CO -0.09 0.12 -0.06 0.99 -0.10 0.00 0.00 175.22 176.07 1ghw s THR 60 N -2.24 1.92 0.15 0.64 2.01 -1.26 -4.91 115.64 111.95 1ghw s THR 60 Ca 0.42 -2.15 -0.27 0.00 0.31 0.00 0.00 61.69 60.01 1ghw s THR 60 Cb -0.10 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1ghw s THR 60 CO 0.34 -0.22 1.39 -0.62 -0.69 0.00 0.00 174.62 174.82 1ghw n GLU 61 N -0.71 -0.38 0.11 4.92 -0.58 -1.26 -0.66 120.64 122.09 1ghw n GLU 61 Ca -0.05 1.37 0.05 0.00 -0.42 0.00 0.00 57.16 58.11 1ghw n GLU 61 Cb 0.64 -2.01 0.29 0.00 -0.57 0.00 0.00 31.44 29.78 1ghw n GLU 61 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ghw n ASN 62 N -5.15 0.27 -0.00 1.62 4.13 -1.26 -1.16 115.26 113.71 1ghw n ASN 62 Ca 0.03 0.53 0.09 0.00 1.68 0.00 0.00 54.58 56.91 1ghw n ASN 62 Cb 0.25 -0.51 -0.12 0.00 -1.54 0.00 0.00 39.78 37.86 1ghw n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1ghw n ASP 63 N -1.87 0.80 -4.68 6.41 8.00 0.17 -4.92 116.55 120.46 1ghw n ASP 63 Ca -0.01 -0.71 -0.23 0.00 0.71 0.00 0.00 54.79 54.55 1ghw n ASP 63 Cb 0.22 1.22 -0.07 0.00 -0.02 0.00 0.00 41.12 42.48 1ghw n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ghw s LEU 64 N -3.26 3.33 -0.00 0.64 1.43 -0.31 -2.38 118.68 118.13 1ghw s LEU 64 Ca 0.04 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1ghw s LEU 64 Cb 0.14 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 1ghw s LEU 64 CO 0.79 0.01 0.07 -0.22 0.23 0.00 0.00 176.35 177.22 1ghw s LEU 65 N -3.61 1.81 -0.16 1.79 2.96 -0.41 -4.57 118.68 116.49 1ghw s LEU 65 Ca 0.31 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1ghw s LEU 65 Cb -0.07 0.39 -0.00 0.00 0.50 0.00 0.00 46.19 47.01 1ghw s LEU 65 CO 0.21 -0.26 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.15 1ghw s VAL 66 N -1.03 2.78 -0.25 1.68 1.01 -0.85 -0.43 120.40 123.32 1ghw s VAL 66 Ca -0.11 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1ghw s VAL 66 Cb -0.07 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1ghw s VAL 66 CO 0.00 0.51 -0.04 -0.13 0.00 0.00 0.00 175.10 175.45 1ghw s ARG 67 N 0.81 2.98 0.02 2.72 0.52 -0.35 -1.01 118.95 124.64 1ghw s ARG 67 Ca -0.05 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.31 1ghw s ARG 67 Cb -0.15 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 1ghw s ARG 67 CO 0.00 -0.36 -0.05 0.42 0.02 0.00 0.00 175.30 175.33 1ghw s ILE 68 N 1.38 3.77 0.00 1.52 1.01 0.77 -2.01 121.20 127.65 1ghw s ILE 68 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1ghw s ILE 68 Cb -0.16 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1ghw s ILE 68 CO -0.03 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1ghw n GLY 69 N 1.30 0.71 3.95 6.18 0.00 -1.26 -0.65 105.19 115.42 1ghw n GLY 69 Ca -0.14 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1ghw n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghw s LYS 70 N -1.48 2.91 0.26 1.61 1.02 -1.26 -4.31 119.74 118.49 1ghw s LYS 70 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1ghw s LYS 70 Cb 0.00 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1ghw s LYS 70 CO 0.00 -0.46 0.00 1.58 -0.92 0.00 0.00 175.35 175.55 1ghw n HIS 71 N -2.24 -2.19 -2.30 3.18 -0.00 -1.26 -4.95 115.22 105.46 1ghw n HIS 71 Ca 0.03 0.39 -0.38 0.00 -0.00 0.00 0.00 57.72 57.76 1ghw n HIS 71 Cb 0.58 0.53 -0.02 0.00 -0.00 0.00 0.00 29.99 31.08 1ghw n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ghw s SER 72 N -5.04 6.45 -0.14 0.26 0.15 -1.26 -0.54 113.70 113.59 1ghw s SER 72 Ca 0.00 2.31 -0.25 0.00 0.70 0.00 0.00 55.95 58.71 1ghw s SER 72 Cb 0.00 -2.61 -0.25 0.00 -1.71 0.00 0.00 66.02 61.45 1ghw s SER 72 CO 0.00 -0.73 0.64 -0.09 1.20 0.00 0.00 173.24 174.27 1ghw h ARG 73 N 2.47 0.06 0.00 5.44 2.43 -1.12 -3.40 114.38 120.27 1ghw h ARG 73 Ca -0.49 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 1ghw h ARG 73 Cb 1.24 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1ghw h ARG 73 CO 0.62 1.05 -0.96 0.25 -1.51 0.00 0.00 179.97 179.42 1ghw n THR 74 N -4.44 0.11 -3.66 0.20 -2.24 -1.26 -4.97 114.28 98.02 1ghw n THR 74 Ca -0.17 -0.17 -0.32 0.00 -2.27 0.00 0.00 64.05 61.12 1ghw n THR 74 Cb 0.61 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 1ghw n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ghw s ARG 75 N -3.14 3.63 -0.55 -0.78 1.81 -1.26 -5.01 118.95 113.65 1ghw s ARG 75 Ca 0.05 -0.06 -0.24 0.00 -1.72 0.00 0.00 55.73 53.76 1ghw s ARG 75 Cb 0.15 -2.85 0.04 0.00 -0.45 0.00 0.00 34.95 31.84 1ghw s ARG 75 CO 0.80 0.47 0.96 -0.47 -0.68 0.00 0.00 175.30 176.37 1ghw s TYR 76 N -1.64 2.79 -1.20 -0.53 5.04 -1.26 -4.87 117.35 115.67 1ghw s TYR 76 Ca 0.41 0.02 -0.18 0.00 -2.44 0.00 0.00 57.07 54.88 1ghw s TYR 76 Cb -0.12 -4.10 0.10 0.00 0.35 0.00 0.00 41.96 38.19 1ghw s TYR 76 CO 0.24 -1.36 1.55 -1.21 -1.34 0.00 0.00 175.55 173.43 1ghw s GLU 77 N 4.00 3.92 0.18 4.97 2.02 -1.26 -4.95 118.70 127.57 1ghw s GLU 77 Ca 0.31 -2.00 -0.33 0.00 0.02 0.00 0.00 54.97 52.97 1ghw s GLU 77 Cb -0.12 -5.32 -0.15 0.00 0.10 0.00 0.00 34.13 28.64 1ghw s GLU 77 CO 0.20 -2.07 1.38 -2.13 0.02 0.00 0.00 175.26 172.66 1ghw n ARG 77 N 7.52 1.69 -0.59 1.61 0.63 -1.26 -1.29 116.66 124.98 1ghw n ARG 77 Ca 0.41 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.94 1ghw n ARG 77 Cb 0.46 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1ghw n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ghw n ASN 78 N 2.50 0.00 -0.04 6.15 5.03 -1.26 -4.74 115.26 122.90 1ghw n ASN 78 Ca 0.15 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.51 1ghw n ASN 78 Cb 0.27 -0.98 -0.03 0.00 -1.02 0.00 0.00 39.78 38.02 1ghw n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1ghw n ILE 79 N -2.00 0.45 -3.24 2.41 5.41 -0.57 -5.06 119.36 116.76 1ghw n ILE 79 Ca 0.00 -0.12 -0.24 0.00 1.00 0.00 0.00 62.75 63.40 1ghw n ILE 79 Cb 0.00 -1.61 -0.01 0.00 -0.71 0.00 0.00 39.64 37.31 1ghw n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ghw s GLU 80 N -2.15 3.41 0.08 0.38 -1.05 -0.41 -4.79 118.70 114.17 1ghw s GLU 80 Ca -0.12 -0.32 0.08 0.00 -0.15 0.00 0.00 54.97 54.47 1ghw s GLU 80 Cb 0.04 -2.62 -0.03 0.00 -0.44 0.00 0.00 34.13 31.09 1ghw s GLU 80 CO 0.14 0.04 -0.21 0.15 0.95 0.00 0.00 175.26 176.34 1ghw s LYS 81 N -4.40 1.21 -0.12 -4.83 3.01 0.17 -4.91 119.74 109.88 1ghw s LYS 81 Ca 0.42 -1.06 0.03 0.00 -1.01 0.00 0.00 55.97 54.35 1ghw s LYS 81 Cb -0.10 -1.41 0.01 0.00 -1.01 0.00 0.00 37.83 35.32 1ghw s LYS 81 CO 0.37 0.34 -0.22 0.42 0.51 0.00 0.00 175.35 176.78 1ghw s ILE 82 N -1.02 1.96 0.26 2.17 1.01 -1.26 -0.16 121.20 124.16 1ghw s ILE 82 Ca 0.07 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 59.86 1ghw s ILE 82 Cb -0.09 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1ghw s ILE 82 CO 0.03 0.53 -0.13 -0.44 0.00 0.00 0.00 174.94 174.94 1ghw s SER 83 N 0.62 3.04 0.38 3.58 0.01 -0.18 -4.97 113.70 116.18 1ghw s SER 83 Ca -0.13 -1.10 0.08 0.00 1.31 0.00 0.00 55.95 56.12 1ghw s SER 83 Cb -0.17 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 1ghw s SER 83 CO 0.03 -0.17 0.27 -0.04 0.41 0.00 0.00 173.24 173.74 1ghw s MET 84 N -3.63 2.49 0.09 12.44 -1.94 -1.26 -2.00 119.30 125.49 1ghw s MET 84 Ca 0.28 -1.53 0.02 0.00 -1.71 0.00 0.00 55.69 52.75 1ghw s MET 84 Cb -0.00 -2.29 -0.04 0.00 2.01 0.00 0.00 34.83 34.51 1ghw s MET 84 CO 0.12 -0.04 0.16 -0.51 -0.01 0.00 0.00 175.02 174.73 1ghw s LEU 85 N -4.00 4.06 -0.19 -0.03 1.43 -1.26 -0.28 118.68 118.41 1ghw s LEU 85 Ca 0.43 0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.54 1ghw s LEU 85 Cb -0.03 -2.69 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 1ghw s LEU 85 CO 0.25 0.14 -0.23 1.21 0.23 0.00 0.00 176.35 177.96 1ghw n GLU 86 N 0.17 0.41 -3.83 1.70 2.13 0.50 -4.58 120.64 117.13 1ghw n GLU 86 Ca -0.07 0.17 -0.09 0.00 0.66 0.00 0.00 57.16 57.82 1ghw n GLU 86 Cb 0.52 -1.20 -0.07 0.00 0.27 0.00 0.00 31.44 30.96 1ghw n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ghw s LYS 87 N -2.35 0.85 -0.04 5.31 2.36 -1.14 -4.97 119.74 119.76 1ghw s LYS 87 Ca -0.26 -0.89 0.03 0.00 -2.55 0.00 0.00 55.97 52.30 1ghw s LYS 87 Cb 0.10 0.35 0.01 0.00 -1.05 0.00 0.00 37.83 37.23 1ghw s LYS 87 CO 0.34 -0.27 -0.11 0.42 1.55 0.00 0.00 175.35 177.28 1ghw s ILE 88 N -3.69 0.99 -0.08 5.43 1.01 -1.26 -0.50 121.20 123.09 1ghw s ILE 88 Ca 0.03 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1ghw s ILE 88 Cb 0.04 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.64 1ghw s ILE 88 CO -0.10 0.31 -0.11 -0.31 0.00 0.00 0.00 174.94 174.72 1ghw s TYR 89 N 0.37 1.52 0.11 3.97 1.51 0.35 -4.98 117.35 120.19 1ghw s TYR 89 Ca -0.08 -0.64 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1ghw s TYR 89 Cb -0.12 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 1ghw s TYR 89 CO 0.02 -0.37 0.12 0.42 -1.11 0.00 0.00 175.55 174.63 1ghw s ILE 90 N 0.99 4.67 0.15 2.71 -1.09 -1.26 -0.85 121.20 126.53 1ghw s ILE 90 Ca -0.08 -0.81 -0.31 0.00 -2.23 0.00 0.00 60.65 57.22 1ghw s ILE 90 Cb -0.15 -3.30 -0.10 0.00 -1.58 0.00 0.00 42.46 37.33 1ghw s ILE 90 CO -0.00 0.05 1.59 -2.28 -1.23 0.00 0.00 174.94 173.06 1ghw s HIS 91 N -1.53 2.96 0.59 3.97 5.65 -1.02 -4.83 115.29 121.08 1ghw s HIS 91 Ca 0.31 0.57 0.30 0.00 0.25 0.00 0.00 55.06 56.49 1ghw s HIS 91 Cb -0.12 -3.94 1.35 0.00 -1.18 0.00 0.00 32.58 28.69 1ghw s HIS 91 CO 0.23 -3.52 1.72 -1.00 -0.65 0.00 0.00 174.74 171.52 1ghw h PRO 92 N 7.03 0.00 -0.21 2.88 0.13 -1.94 -1.06 132.00 138.82 1ghw h PRO 92 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 1ghw h PRO 92 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1ghw h PRO 92 CO 0.92 0.00 -0.17 0.54 -0.23 0.00 0.00 178.00 179.05 1ghw n ARG 93 N -3.65 1.84 -1.71 0.86 1.74 -1.26 -5.00 116.66 109.48 1ghw n ARG 93 Ca 0.16 -3.11 -0.42 0.00 -0.77 0.00 0.00 57.85 53.70 1ghw n ARG 93 Cb 1.02 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 30.69 1ghw n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ghw n TYR 94 N -1.09 2.71 -3.47 -1.55 9.36 -0.41 -4.74 117.16 117.98 1ghw n TYR 94 Ca 0.26 0.04 -0.42 0.00 3.32 0.00 0.00 57.90 61.10 1ghw n TYR 94 Cb 0.88 -2.67 -0.04 0.00 -0.63 0.00 0.00 39.34 36.88 1ghw n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ghw s ASN 95 N 1.28 6.46 0.21 2.98 3.84 0.36 -4.86 114.94 125.23 1ghw s ASN 95 Ca 0.76 -3.20 0.11 0.00 0.21 0.00 0.00 52.86 50.74 1ghw s ASN 95 Cb -0.52 -2.08 -0.02 0.00 -0.55 0.00 0.00 41.25 38.09 1ghw s ASN 95 CO 0.33 -0.37 1.39 4.11 -2.79 0.00 0.00 177.10 179.77 1ghw h TRP 96 N 6.94 0.00 -0.60 0.43 5.08 -1.91 0.15 115.95 126.04 1ghw h TRP 96 Ca 0.12 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.05 1ghw h TRP 96 Cb 0.93 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.06 1ghw h TRP 96 CO 0.83 0.73 0.23 0.00 -1.28 0.00 0.00 178.44 178.95 1ghw h ARG 97 N 0.00 0.91 0.00 0.12 3.08 -2.00 -3.43 114.38 113.06 1ghw h ARG 97 Ca -0.01 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1ghw h ARG 97 Cb 1.52 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1ghw h ARG 97 CO 0.09 0.78 -0.34 -1.91 -1.07 0.00 0.00 179.97 177.52 1ghw n GLU 97 N -4.45 0.18 -0.17 0.04 2.13 -1.25 -4.97 120.64 112.16 1ghw n GLU 97 Ca 0.04 0.07 0.03 0.00 0.66 0.00 0.00 57.16 57.96 1ghw n GLU 97 Cb 0.17 -0.74 0.04 0.00 0.27 0.00 0.00 31.44 31.19 1ghw n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ghw n ASN 98 N -3.33 1.14 -3.32 4.31 6.94 -1.24 -4.96 115.26 114.80 1ghw n ASN 98 Ca -0.05 -2.15 -0.22 0.00 -0.02 0.00 0.00 54.58 52.15 1ghw n ASN 98 Cb 0.18 -0.19 0.07 0.00 -2.36 0.00 0.00 39.78 37.48 1ghw n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ghw n LEU 99 N -0.55 -3.30 -4.74 -4.53 4.77 0.51 -4.95 117.00 104.21 1ghw n LEU 99 Ca 0.05 -0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 55.13 1ghw n LEU 99 Cb 0.55 -2.82 -0.04 0.00 -2.33 0.00 0.00 43.42 38.78 1ghw n LEU 99 CO 0.00 0.59 0.80 -0.62 -1.33 0.00 0.00 177.39 176.84 1ghw s ASP 100 N -3.32 7.25 -0.89 -1.43 2.15 -1.19 -3.27 116.67 115.97 1ghw s ASP 100 Ca 0.52 2.10 -0.01 0.00 0.43 0.00 0.00 52.55 55.59 1ghw s ASP 100 Cb -0.23 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 39.77 1ghw s ASP 100 CO 0.67 -0.23 0.75 0.54 -0.17 0.00 0.00 175.17 176.72 1ghw n ARG 101 N 2.38 -4.34 -2.91 4.34 1.74 -1.26 -0.49 116.66 116.12 1ghw n ARG 101 Ca 0.03 0.65 -0.44 0.00 -0.77 0.00 0.00 57.85 57.32 1ghw n ARG 101 Cb 0.46 -5.01 -0.01 0.00 -1.02 0.00 0.00 32.46 26.89 1ghw n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ghw s ASP 102 N -3.88 6.95 -0.04 0.55 2.15 -1.20 -4.32 116.67 116.88 1ghw s ASP 102 Ca 0.07 -2.73 -0.09 0.00 0.43 0.00 0.00 52.55 50.23 1ghw s ASP 102 Cb -0.01 -2.42 0.02 0.00 -0.30 0.00 0.00 42.92 40.21 1ghw s ASP 102 CO 0.56 -0.86 0.22 -0.51 -0.17 0.00 0.00 175.17 174.41 1ghw s ILE 103 N 2.06 0.04 0.01 4.11 2.07 -1.26 -3.99 121.20 124.25 1ghw s ILE 103 Ca 0.42 -0.33 -0.16 0.00 -1.41 0.00 0.00 60.65 59.16 1ghw s ILE 103 Cb -0.03 -0.43 0.03 0.00 0.13 0.00 0.00 42.46 42.16 1ghw s ILE 103 CO -0.01 -0.18 0.35 0.00 -1.91 0.00 0.00 174.94 173.19 1ghw s ALA 104 N -0.69 -0.87 0.01 1.50 0.00 -0.50 -2.44 121.76 118.77 1ghw s ALA 104 Ca -0.08 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.27 1ghw s ALA 104 Cb -0.04 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1ghw s ALA 104 CO 0.02 -0.35 -0.24 -0.51 0.00 0.00 0.00 175.76 174.68 1ghw s LEU 105 N -1.64 2.10 -0.04 0.00 1.43 -0.03 -1.49 118.68 119.00 1ghw s LEU 105 Ca -0.10 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1ghw s LEU 105 Cb -0.03 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.99 1ghw s LEU 105 CO 0.01 0.26 -0.14 -0.04 0.23 0.00 0.00 176.35 176.67 1ghw s MET 106 N -0.83 1.58 -0.18 1.70 -1.94 0.07 -0.50 119.30 119.19 1ghw s MET 106 Ca 0.10 -0.50 -0.09 0.00 -1.71 0.00 0.00 55.69 53.48 1ghw s MET 106 Cb -0.09 -1.37 -0.05 0.00 2.01 0.00 0.00 34.83 35.33 1ghw s MET 106 CO 0.00 0.18 0.11 0.21 -0.01 0.00 0.00 175.02 175.51 1ghw s LYS 107 N 0.18 4.04 0.52 2.03 2.20 0.34 -1.28 119.74 127.77 1ghw s LYS 107 Ca -0.06 -0.24 -0.07 0.00 -0.36 0.00 0.00 55.97 55.24 1ghw s LYS 107 Cb -0.12 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1ghw s LYS 107 CO 0.02 0.36 0.86 -0.51 -0.36 0.00 0.00 175.35 175.72 1ghw s LEU 108 N 0.18 3.51 0.04 5.43 1.43 0.17 -0.37 118.68 129.07 1ghw s LEU 108 Ca 0.08 1.10 -0.31 0.00 -1.03 0.00 0.00 54.13 53.96 1ghw s LEU 108 Cb -0.11 -4.08 -0.18 0.00 0.03 0.00 0.00 46.19 41.85 1ghw s LEU 108 CO -0.01 -0.66 1.42 0.50 0.23 0.00 0.00 176.35 177.83 1ghw h LYS 109 N 0.09 -0.93 -6.37 1.70 1.63 -0.89 -3.39 116.57 108.41 1ghw h LYS 109 Ca -0.46 0.06 -0.61 0.00 -0.85 0.00 0.00 60.65 58.80 1ghw h LYS 109 Cb 1.20 0.21 -0.19 0.00 -0.60 0.00 0.00 32.23 32.85 1ghw h LYS 109 CO 0.62 -0.59 -0.81 0.15 -3.45 0.00 0.00 179.45 175.36 1ghw s LYS 110 N -5.49 1.41 0.57 1.90 1.02 -1.26 -4.96 119.74 112.94 1ghw s LYS 110 Ca -0.17 -1.46 -0.20 0.00 0.02 0.00 0.00 55.97 54.16 1ghw s LYS 110 Cb 0.02 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 1ghw s LYS 110 CO 0.55 0.35 1.27 -2.30 -0.92 0.00 0.00 175.35 174.31 1ghw n PRO 111 N 0.34 1.42 -4.07 -1.68 -0.02 -1.26 -4.86 135.00 124.87 1ghw n PRO 111 Ca -0.13 0.53 -0.22 0.00 -2.02 0.00 0.00 63.50 61.66 1ghw n PRO 111 Cb 0.56 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 1ghw n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ghw s VAL 112 N -1.34 4.68 -0.04 -1.45 0.11 -0.56 -5.02 120.40 116.79 1ghw s VAL 112 Ca 0.75 -1.23 -0.02 0.00 -2.93 0.00 0.00 61.98 58.54 1ghw s VAL 112 Cb -0.41 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1ghw s VAL 112 CO 0.47 -0.30 0.10 0.00 -3.33 0.00 0.00 175.10 172.04 1ghw s ALA 113 N -2.03 3.66 0.66 1.54 0.00 -1.26 -4.85 121.76 119.48 1ghw s ALA 113 Ca 0.33 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 1ghw s ALA 113 Cb -0.09 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.35 1ghw s ALA 113 CO 0.26 0.67 1.01 -0.06 0.00 0.00 0.00 175.76 177.64 1ghw s PHE 114 N -1.13 3.28 0.00 0.00 0.08 -1.26 -4.89 117.98 114.06 1ghw s PHE 114 Ca 0.20 0.85 0.00 0.00 0.12 0.00 0.00 56.93 58.10 1ghw s PHE 114 Cb -0.12 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.40 1ghw s PHE 114 CO 0.11 -1.04 0.00 -1.13 -0.10 0.00 0.00 175.22 173.06 1ghw n SER 115 N -2.82 0.00 0.14 1.36 3.41 -0.25 -4.91 113.62 110.55 1ghw n SER 115 Ca 0.06 -0.53 0.13 0.00 -0.26 0.00 0.00 58.87 58.27 1ghw n SER 115 Cb 0.57 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.94 1ghw n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ghw h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.98 -3.22 116.42 118.58 1ghw h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ghw h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ghw h ASP 116 CO 0.00 0.00 -1.10 -1.22 -1.72 0.00 0.00 179.24 175.20 1ghw n TYR 117 N -2.45 0.00 -4.03 4.55 4.01 -1.26 -4.72 117.16 113.26 1ghw n TYR 117 Ca 0.04 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.47 1ghw n TYR 117 Cb 0.38 -0.15 -0.16 0.00 -0.31 0.00 0.00 39.34 39.11 1ghw n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ghw s ILE 118 N -2.57 1.85 -0.18 -0.72 1.01 -1.22 -4.23 121.20 115.14 1ghw s ILE 118 Ca 0.00 -1.21 -0.20 0.00 0.00 0.00 0.00 60.65 59.24 1ghw s ILE 118 Cb 0.09 -1.92 0.05 0.00 0.01 0.00 0.00 42.46 40.70 1ghw s ILE 118 CO 0.55 0.13 0.55 -2.28 0.00 0.00 0.00 174.94 173.89 1ghw s HIS 119 N 1.29 -0.58 0.62 3.97 2.46 -0.58 -1.09 115.29 121.38 1ghw s HIS 119 Ca -0.03 1.36 -0.13 0.00 0.47 0.00 0.00 55.06 56.73 1ghw s HIS 119 Cb -0.17 0.22 -0.03 0.00 -0.13 0.00 0.00 32.58 32.46 1ghw s HIS 119 CO -0.08 -0.33 1.03 -1.25 -2.47 0.00 0.00 174.74 171.65 1ghw s PRO 120 N 0.03 3.45 0.23 2.88 0.04 -1.26 -2.52 135.00 137.85 1ghw s PRO 120 Ca -0.02 0.91 0.05 0.00 0.04 0.00 0.00 61.00 61.98 1ghw s PRO 120 Cb -0.04 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1ghw s PRO 120 CO 0.02 -0.69 0.32 0.54 0.04 0.00 0.00 177.00 177.23 1ghw s VAL 121 N -2.93 5.12 0.28 -0.36 0.11 -0.25 -4.90 120.40 117.47 1ghw s VAL 121 Ca 0.58 -1.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 1ghw s VAL 121 Cb -0.12 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 1ghw s VAL 121 CO 0.47 -0.29 0.53 0.00 -3.33 0.00 0.00 175.10 172.48 1ghw s LEU 123 N -3.56 3.58 0.57 0.00 1.43 -1.26 -0.81 118.68 118.63 1ghw s LEU 123 Ca 0.43 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 1ghw s LEU 123 Cb -0.11 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1ghw s LEU 123 CO 0.30 0.31 1.01 -2.16 0.23 0.00 0.00 176.35 176.05 1ghw s PRO 124 N -1.35 3.68 0.29 1.29 0.04 -1.26 -4.93 135.00 132.75 1ghw s PRO 124 Ca 0.18 0.91 0.08 0.00 0.04 0.00 0.00 61.00 62.21 1ghw s PRO 124 Cb -0.11 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1ghw s PRO 124 CO 0.08 -0.50 0.14 0.16 0.04 0.00 0.00 177.00 176.91 1ghw s ASP 125 N -3.48 5.00 0.28 6.66 1.47 -1.26 -4.89 116.67 120.45 1ghw s ASP 125 Ca 0.58 -0.52 -0.04 0.00 1.18 0.00 0.00 52.55 53.75 1ghw s ASP 125 Cb -0.11 -1.02 0.56 0.00 -0.34 0.00 0.00 42.92 42.00 1ghw s ASP 125 CO 0.42 -0.13 1.50 -1.14 0.68 0.00 0.00 175.17 176.50 1ghw n ARG 126 N -1.11 -0.08 0.17 2.11 0.63 -1.26 -0.30 116.66 116.82 1ghw n ARG 126 Ca -0.05 1.48 0.02 0.00 -0.92 0.00 0.00 57.85 58.37 1ghw n ARG 126 Cb 0.59 -2.26 0.31 0.00 0.45 0.00 0.00 32.46 31.55 1ghw n ARG 126 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1ghw h GLU 127 N 0.00 0.00 -1.12 -0.14 3.07 -2.04 -0.80 114.58 113.55 1ghw h GLU 127 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1ghw h GLU 127 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1ghw h GLU 127 CO -0.96 0.44 0.00 2.41 -1.40 0.00 0.00 179.01 179.51 1ghw n THR 128 N -3.96 1.01 0.00 1.13 -1.04 0.59 -1.89 114.28 110.13 1ghw n THR 128 Ca -0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1ghw n THR 128 Cb 0.48 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 1ghw n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ghw n ALA 129 N 0.60 0.00 0.12 2.41 0.00 -0.31 -1.15 120.51 122.17 1ghw n ALA 129 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1ghw n ALA 129 Cb 0.47 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 1ghw n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ghw h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.63 -3.38 113.55 113.18 1ghw h SER 129 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1ghw h SER 129 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1ghw h SER 129 CO 0.00 0.68 -2.15 0.18 -0.87 0.00 0.00 176.83 174.67 1ghw n LEU 129 N -3.36 0.00 -4.10 5.97 4.77 -0.30 -4.68 117.00 115.30 1ghw n LEU 129 Ca 0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 1ghw n LEU 129 Cb 0.77 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 1ghw n LEU 129 CO 0.43 0.33 2.27 0.18 -1.33 0.00 0.00 177.39 179.26 1ghw n LEU 130 N -2.54 6.04 -4.19 2.23 4.77 -1.26 -4.85 117.00 117.19 1ghw n LEU 130 Ca -0.23 -4.14 -0.27 0.00 -0.03 0.00 0.00 56.01 51.34 1ghw n LEU 130 Cb 0.94 -1.67 -0.16 0.00 -2.33 0.00 0.00 43.42 40.20 1ghw n LEU 130 CO 0.39 0.77 -0.52 -1.10 -1.33 0.00 0.00 177.39 175.60 1ghw s GLN 131 N 3.14 1.74 0.28 3.23 -0.21 -1.26 -4.95 119.66 121.62 1ghw s GLN 131 Ca 0.48 -0.70 -0.30 0.00 0.02 0.00 0.00 55.36 54.86 1ghw s GLN 131 Cb 0.09 -1.61 -0.13 0.00 1.00 0.00 0.00 33.01 32.36 1ghw s GLN 131 CO -0.01 0.37 1.45 0.00 -2.12 0.00 0.00 175.29 174.98 1ghw n ALA 132 N 2.77 1.63 0.00 6.09 0.00 -1.26 -2.08 120.51 127.66 1ghw n ALA 132 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ghw n ALA 132 Cb 0.53 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1ghw n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ghw n GLY 133 N 1.90 2.54 3.77 0.00 0.00 -0.33 -4.92 105.19 108.14 1ghw n GLY 133 Ca 0.09 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1ghw n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ghw s TYR 134 N -2.04 3.31 0.05 1.61 1.51 -0.88 -4.59 117.35 116.32 1ghw s TYR 134 Ca 0.00 1.63 -0.03 0.00 -1.01 0.00 0.00 57.07 57.66 1ghw s TYR 134 Cb 0.00 -3.29 -0.04 0.00 -0.11 0.00 0.00 41.96 38.51 1ghw s TYR 134 CO 0.00 -0.87 0.25 0.15 -1.11 0.00 0.00 175.55 173.97 1ghw s LYS 135 N -2.01 3.51 0.40 -0.62 1.02 -1.26 -0.79 119.74 119.99 1ghw s LYS 135 Ca 0.52 -0.27 0.04 0.00 0.02 0.00 0.00 55.97 56.28 1ghw s LYS 135 Cb -0.29 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1ghw s LYS 135 CO 0.37 0.60 0.07 0.20 -0.92 0.00 0.00 175.35 175.67 1ghw s GLY 136 N -2.20 2.51 -0.01 -3.33 0.00 -0.01 -4.84 107.32 99.43 1ghw s GLY 136 Ca 0.33 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.64 1ghw s GLY 136 CO 0.23 -1.93 -0.13 -1.60 0.00 0.00 0.00 173.10 169.67 1ghw s ARG 137 N -3.80 1.03 0.06 2.90 3.52 -0.27 -0.49 118.95 121.90 1ghw s ARG 137 Ca 0.26 -0.45 0.08 0.00 -0.13 0.00 0.00 55.73 55.49 1ghw s ARG 137 Cb 0.05 -1.00 -0.03 0.00 -1.56 0.00 0.00 34.95 32.42 1ghw s ARG 137 CO 0.13 0.27 -0.23 0.08 -0.81 0.00 0.00 175.30 174.74 1ghw s VAL 138 N -0.30 1.90 0.05 7.11 1.01 -0.67 -0.89 120.40 128.61 1ghw s VAL 138 Ca 0.05 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1ghw s VAL 138 Cb -0.05 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1ghw s VAL 138 CO -0.00 0.24 -0.05 0.42 0.00 0.00 0.00 175.10 175.70 1ghw s THR 139 N -0.85 0.38 0.00 3.92 -4.23 -1.24 -2.33 115.64 111.28 1ghw s THR 139 Ca 0.10 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1ghw s THR 139 Cb -0.09 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1ghw s THR 139 CO 0.02 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 1ghw n GLY 140 N 0.70 1.31 1.14 3.99 0.00 -1.01 -4.61 105.19 106.70 1ghw n GLY 140 Ca -0.18 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 44.99 1ghw n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ghw n TRP 141 N -0.51 1.14 -0.86 1.61 8.01 -1.26 -2.07 117.44 123.50 1ghw n TRP 141 Ca 0.00 -0.73 -0.30 0.00 -1.31 0.00 0.00 57.50 55.16 1ghw n TRP 141 Cb 0.00 -0.28 0.26 0.00 -2.01 0.00 0.00 31.31 29.28 1ghw n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ghw n GLY 142 N 0.18 -3.05 3.68 6.99 0.00 -1.26 -4.52 105.19 107.22 1ghw n GLY 142 Ca 0.21 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 1ghw n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ghw n ASN 143 N -5.10 1.25 0.05 1.61 3.02 -0.12 -3.63 115.26 112.33 1ghw n ASN 143 Ca 0.15 0.69 0.11 0.00 -0.03 0.00 0.00 54.58 55.50 1ghw n ASN 143 Cb 0.59 -1.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.23 1ghw n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ghw n LEU 144 N -2.40 0.56 -3.94 3.41 4.77 -0.55 0.86 117.00 119.72 1ghw n LEU 144 Ca 0.14 0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 56.18 1ghw n LEU 144 Cb 0.49 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1ghw n LEU 144 CO 0.48 -0.07 -0.20 -0.54 -1.33 0.00 0.00 177.39 175.73 1ghw s LYS 145 N -3.35 0.71 0.24 3.23 1.02 -1.26 -4.28 119.74 116.05 1ghw s LYS 145 Ca -0.01 -0.97 -0.06 0.00 0.02 0.00 0.00 55.97 54.95 1ghw s LYS 145 Cb 0.12 0.28 0.27 0.00 -0.52 0.00 0.00 37.83 37.98 1ghw s LYS 145 CO 0.82 -0.19 1.90 1.49 -0.92 0.00 0.00 175.35 178.45 1ghw h GLU 146 N 3.11 1.16 -2.14 1.68 4.81 -1.92 -3.48 114.58 117.80 1ghw h GLU 146 Ca -0.34 -0.07 -0.38 0.00 -0.13 0.00 0.00 59.36 58.44 1ghw h GLU 146 Cb 1.18 -0.26 -0.33 0.00 0.63 0.00 0.00 28.75 29.96 1ghw h GLU 146 CO 0.57 0.77 -0.69 0.99 -0.73 0.00 0.00 179.01 179.92 1ghw s THR 147 N -6.10 -0.29 0.00 0.32 2.01 -1.26 -4.91 115.64 105.40 1ghw s THR 147 Ca -0.13 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1ghw s THR 147 Cb 0.18 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.83 1ghw s THR 147 CO 0.81 -0.59 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1ghw n GLY 150 N 4.69 0.61 3.27 4.40 0.00 -1.26 -5.08 105.19 111.82 1ghw n GLY 150 Ca 0.05 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 1ghw n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ghw s GLN 151 N -0.83 1.09 0.42 1.61 -0.21 -1.26 -1.48 119.66 118.99 1ghw s GLN 151 Ca 0.00 -1.24 0.02 0.00 0.02 0.00 0.00 55.36 54.16 1ghw s GLN 151 Cb 0.00 -1.11 -0.00 0.00 1.00 0.00 0.00 33.01 32.90 1ghw s GLN 151 CO 0.00 0.23 0.61 -1.25 -2.12 0.00 0.00 175.29 172.76 1ghw s PRO 152 N -2.47 3.07 -0.04 2.91 0.04 -1.26 -4.93 135.00 132.32 1ghw s PRO 152 Ca 0.09 -0.66 0.16 0.00 0.04 0.00 0.00 61.00 60.63 1ghw s PRO 152 Cb -0.07 -2.64 -0.21 0.00 0.04 0.00 0.00 34.50 31.63 1ghw s PRO 152 CO 0.04 -0.17 0.58 -1.13 0.04 0.00 0.00 177.00 176.35 1ghw n SER 153 N -1.95 0.61 -4.53 6.66 3.41 -1.26 -4.71 113.62 111.85 1ghw n SER 153 Ca 0.01 0.28 -0.25 0.00 -0.26 0.00 0.00 58.87 58.65 1ghw n SER 153 Cb 0.58 0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 64.83 1ghw n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ghw s VAL 154 N -2.76 1.77 0.32 -3.33 1.01 -1.26 -0.57 120.40 115.58 1ghw s VAL 154 Ca -0.05 -2.05 -0.29 0.00 0.00 0.00 0.00 61.98 59.59 1ghw s VAL 154 Cb 0.08 -2.80 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 1ghw s VAL 154 CO 0.83 -0.08 1.33 -0.22 0.00 0.00 0.00 175.10 176.95 1ghw s LEU 155 N -3.59 4.42 0.17 3.92 2.96 0.30 -4.80 118.68 122.05 1ghw s LEU 155 Ca 0.34 2.69 0.07 0.00 -0.22 0.00 0.00 54.13 57.01 1ghw s LEU 155 Cb 0.07 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1ghw s LEU 155 CO 0.16 -0.56 0.03 -1.10 -1.32 0.00 0.00 176.35 173.56 1ghw s GLN 156 N -1.62 2.54 0.04 1.98 -1.52 -0.88 -0.13 119.66 120.07 1ghw s GLN 156 Ca 0.50 -1.03 0.02 0.00 -1.95 0.00 0.00 55.36 52.90 1ghw s GLN 156 Cb -0.40 -2.44 -0.02 0.00 -0.22 0.00 0.00 33.01 29.93 1ghw s GLN 156 CO 0.52 0.47 -0.08 0.54 -0.25 0.00 0.00 175.29 176.49 1ghw s VAL 157 N -1.71 0.59 -0.11 1.09 0.11 0.11 -2.41 120.40 118.07 1ghw s VAL 157 Ca 0.28 -0.97 -0.12 0.00 -2.93 0.00 0.00 61.98 58.24 1ghw s VAL 157 Cb -0.10 -0.62 0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1ghw s VAL 157 CO 0.20 -0.28 0.33 0.54 -3.33 0.00 0.00 175.10 172.56 1ghw s VAL 158 N -1.17 0.01 -0.20 2.04 0.11 -0.99 -0.83 120.40 119.37 1ghw s VAL 158 Ca -0.07 -0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 58.87 1ghw s VAL 158 Cb -0.09 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1ghw s VAL 158 CO 0.00 -0.04 -0.01 0.20 -3.33 0.00 0.00 175.10 171.93 1ghw s ASN 159 N -0.03 4.71 0.03 3.54 0.01 -1.26 -1.68 114.94 120.27 1ghw s ASN 159 Ca -0.02 -0.24 0.06 0.00 -0.71 0.00 0.00 52.86 51.95 1ghw s ASN 159 Cb -0.03 -1.80 -0.02 0.00 0.41 0.00 0.00 41.25 39.81 1ghw s ASN 159 CO 0.01 0.05 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.72 1ghw s LEU 160 N 1.05 2.13 0.50 0.60 1.43 0.36 -4.90 118.68 119.86 1ghw s LEU 160 Ca 0.02 -0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 52.48 1ghw s LEU 160 Cb -0.14 -0.83 -0.08 0.00 0.03 0.00 0.00 46.19 45.16 1ghw s LEU 160 CO 0.01 0.13 1.01 -2.16 0.23 0.00 0.00 176.35 175.58 1ghw s PRO 161 N -0.96 3.82 0.36 1.29 0.04 -1.26 -0.83 135.00 137.46 1ghw s PRO 161 Ca 0.05 1.22 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 1ghw s PRO 161 Cb -0.08 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1ghw s PRO 161 CO 0.01 -0.39 0.89 0.42 0.04 0.00 0.00 177.00 177.96 1ghw s ILE 162 N -2.22 4.41 0.08 0.56 1.01 0.03 -1.00 121.20 124.07 1ghw s ILE 162 Ca 0.64 1.47 0.06 0.00 0.00 0.00 0.00 60.65 62.82 1ghw s ILE 162 Cb -0.14 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1ghw s ILE 162 CO 0.23 -0.11 -0.09 -0.69 0.00 0.00 0.00 174.94 174.29 1ghw s VAL 163 N -1.92 3.47 0.40 2.92 1.01 -0.99 -1.19 120.40 124.10 1ghw s VAL 163 Ca 0.55 -1.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 1ghw s VAL 163 Cb -0.13 -2.60 -0.10 0.00 0.00 0.00 0.00 36.38 33.55 1ghw s VAL 163 CO 0.18 0.18 1.45 -0.62 0.00 0.00 0.00 175.10 176.28 1ghw n GLU 164 N 0.89 2.49 -0.29 2.72 4.71 -1.26 -4.65 120.64 125.25 1ghw n GLU 164 Ca -0.14 0.88 -0.03 0.00 -0.01 0.00 0.00 57.16 57.86 1ghw n GLU 164 Cb 0.52 -2.62 0.09 0.00 -1.01 0.00 0.00 31.44 28.42 1ghw n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ghw h ARG 165 N 2.70 0.98 -0.75 3.49 3.08 -1.98 -2.64 114.38 119.25 1ghw h ARG 165 Ca -0.50 -0.06 0.16 0.00 0.07 0.00 0.00 59.98 59.65 1ghw h ARG 165 Cb 1.26 -0.22 -0.14 0.00 0.08 0.00 0.00 29.97 30.95 1ghw h ARG 165 CO 0.63 0.65 -0.07 -1.00 -1.07 0.00 0.00 179.97 179.10 1ghw h PRO 166 N 1.01 0.05 -0.73 0.04 0.13 -1.99 -0.43 132.00 130.08 1ghw h PRO 166 Ca 0.31 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.43 1ghw h PRO 166 Cb -0.02 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.06 1ghw h PRO 166 CO -0.10 0.03 0.43 0.28 -0.23 0.00 0.00 178.00 178.41 1ghw h VAL 167 N 0.05 1.21 -0.11 1.56 2.07 -1.85 -0.38 116.25 118.80 1ghw h VAL 167 Ca 0.39 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1ghw h VAL 167 Cb 0.66 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ghw h VAL 167 CO -0.71 0.22 0.02 0.00 0.02 0.00 0.00 177.57 177.12 1ghw h LYS 169 N -0.04 1.15 -0.03 0.00 1.57 -0.92 -2.28 116.57 116.03 1ghw h LYS 169 Ca 0.03 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ghw h LYS 169 Cb 0.28 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ghw h LYS 169 CO 0.00 0.83 0.00 -0.25 -0.57 0.00 0.00 179.45 179.46 1ghw n ASP 170 N -4.35 0.17 -0.13 0.86 8.00 -0.17 -2.96 116.55 117.97 1ghw n ASP 170 Ca 0.09 -1.79 0.08 0.00 0.71 0.00 0.00 54.79 53.88 1ghw n ASP 170 Cb 0.09 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1ghw n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ghw n SER 171 N -0.51 1.10 -4.10 -2.24 3.41 -0.86 -5.00 113.62 105.42 1ghw n SER 171 Ca 0.06 -1.05 -0.10 0.00 -0.26 0.00 0.00 58.87 57.52 1ghw n SER 171 Cb 0.05 0.82 -0.09 0.00 -0.26 0.00 0.00 64.21 64.73 1ghw n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ghw s THR 172 N -2.38 0.05 -1.50 6.66 -1.32 -1.15 -4.86 115.64 111.13 1ghw s THR 172 Ca 0.09 -1.75 0.22 0.00 -1.21 0.00 0.00 61.69 59.04 1ghw s THR 172 Cb 0.13 -2.15 -0.11 0.00 -1.51 0.00 0.00 72.50 68.86 1ghw s THR 172 CO 0.60 -0.23 1.01 0.54 -2.21 0.00 0.00 174.62 174.33 1ghw n ARG 173 N -0.21 0.58 -2.72 7.08 1.74 -1.26 -4.92 116.66 116.96 1ghw n ARG 173 Ca -0.03 -0.48 -0.34 0.00 -0.77 0.00 0.00 57.85 56.23 1ghw n ARG 173 Cb 0.64 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 1ghw n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ghw s ILE 174 N -2.75 4.16 -0.19 0.55 1.01 -1.26 -5.00 121.20 117.72 1ghw s ILE 174 Ca 0.13 1.37 -0.28 0.00 0.00 0.00 0.00 60.65 61.87 1ghw s ILE 174 Cb 0.17 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1ghw s ILE 174 CO 0.72 -0.27 0.99 -0.60 0.00 0.00 0.00 174.94 175.78 1ghw s ARG 175 N -3.14 4.30 -0.01 2.79 3.52 -1.26 -5.01 118.95 120.13 1ghw s ARG 175 Ca 0.63 1.29 -0.16 0.00 -0.13 0.00 0.00 55.73 57.36 1ghw s ARG 175 Cb -0.12 -3.61 -0.06 0.00 -1.56 0.00 0.00 34.95 29.60 1ghw s ARG 175 CO 0.16 -0.51 0.45 0.42 -0.81 0.00 0.00 175.30 175.02 1ghw s ILE 176 N 2.75 5.00 0.53 4.11 -1.09 -1.26 -4.85 121.20 126.39 1ghw s ILE 176 Ca 0.43 0.93 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 1ghw s ILE 176 Cb -0.16 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1ghw s ILE 176 CO 0.10 0.52 0.31 0.42 -1.23 0.00 0.00 174.94 175.06 1ghw s THR 177 N -0.75 1.56 -2.01 2.92 -4.23 -1.26 -5.00 115.64 106.87 1ghw s THR 177 Ca 0.25 -1.61 0.29 0.00 -1.18 0.00 0.00 61.69 59.44 1ghw s THR 177 Cb -0.17 -2.17 0.82 0.00 1.34 0.00 0.00 72.50 72.32 1ghw s THR 177 CO 0.14 0.00 2.11 0.47 -0.54 0.00 0.00 174.62 176.80 1ghw n ASP 178 N -1.64 0.03 -1.79 3.99 8.00 -1.26 -3.36 116.55 120.52 1ghw n ASP 178 Ca -0.06 -1.10 0.02 0.00 0.71 0.00 0.00 54.79 54.36 1ghw n ASP 178 Cb 0.65 -0.00 0.33 0.00 -0.02 0.00 0.00 41.12 42.08 1ghw n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ghw n ASN 179 N -0.93 4.96 -3.97 -2.24 3.02 -1.26 -4.87 115.26 109.97 1ghw n ASN 179 Ca 0.22 -2.91 -0.09 0.00 -0.03 0.00 0.00 54.58 51.77 1ghw n ASN 179 Cb 0.10 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.51 1ghw n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ghw s MET 180 N -2.61 0.89 0.12 3.52 -1.94 -1.21 -1.22 119.30 116.84 1ghw s MET 180 Ca 0.48 -1.13 -0.09 0.00 -1.71 0.00 0.00 55.69 53.24 1ghw s MET 180 Cb 0.38 0.31 -0.00 0.00 2.01 0.00 0.00 34.83 37.53 1ghw s MET 180 CO 0.13 -0.28 0.25 -0.59 -0.01 0.00 0.00 175.02 174.52 1ghw s PHE 181 N -3.92 0.21 0.26 -0.03 -0.12 -0.60 -4.78 117.98 109.00 1ghw s PHE 181 Ca 0.11 -0.61 0.08 0.00 -0.05 0.00 0.00 56.93 56.46 1ghw s PHE 181 Cb 0.05 -0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 1ghw s PHE 181 CO -0.06 -0.63 -0.11 0.00 -0.05 0.00 0.00 175.22 174.37 1ghw s ALA 183 N -2.91 -0.81 0.00 0.00 0.00 -0.42 -2.35 121.76 115.26 1ghw s ALA 183 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1ghw s ALA 183 Cb 0.01 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1ghw s ALA 183 CO 0.11 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1ghw n GLY 184 N 0.11 3.27 3.92 0.00 0.00 -0.17 -2.42 105.19 109.90 1ghw n GLY 184 Ca -0.17 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 1ghw n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ghw s TYR 184 N -2.00 3.32 0.31 1.61 2.02 -1.26 -4.52 117.35 116.83 1ghw s TYR 184 Ca 0.00 0.68 -0.05 0.00 -0.37 0.00 0.00 57.07 57.33 1ghw s TYR 184 Cb 0.00 -2.64 -0.05 0.00 -0.40 0.00 0.00 41.96 38.87 1ghw s TYR 184 CO 0.00 -0.70 0.57 0.15 -1.57 0.00 0.00 175.55 174.01 1ghw s LYS 185 N -4.93 3.62 0.49 -0.62 -0.14 -1.26 -4.84 119.74 112.06 1ghw s LYS 185 Ca 0.52 0.00 0.33 0.00 -1.36 0.00 0.00 55.97 55.47 1ghw s LYS 185 Cb -0.10 -2.62 1.45 0.00 -1.68 0.00 0.00 37.83 34.87 1ghw s LYS 185 CO 0.45 0.18 1.74 -1.35 -0.76 0.00 0.00 175.35 175.61 1ghw h PRO 186 N 1.50 0.11 -1.34 -1.68 0.11 -1.94 -1.70 132.00 127.05 1ghw h PRO 186 Ca -0.48 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.30 1ghw h PRO 186 Cb 1.19 -0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 1ghw h PRO 186 CO 0.65 0.07 0.42 -3.47 -0.21 0.00 0.00 178.00 175.46 1ghw n ASP 186 N -4.34 5.63 0.00 -2.05 2.03 -1.26 -4.13 116.55 112.44 1ghw n ASP 186 Ca 0.30 -3.03 0.00 0.00 0.52 0.00 0.00 54.79 52.57 1ghw n ASP 186 Cb 1.28 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1ghw n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ghw n GLU 186 N 0.08 0.30 -1.88 -0.67 1.02 -0.64 -5.00 120.64 113.85 1ghw n GLU 186 Ca 0.32 -0.52 -0.05 0.00 -0.02 0.00 0.00 57.16 56.88 1ghw n GLU 186 Cb 0.74 -0.72 -0.01 0.00 -0.02 0.00 0.00 31.44 31.42 1ghw n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ghw n GLY 186 N -0.09 -0.07 3.09 0.62 0.00 -1.26 -4.88 105.19 102.60 1ghw n GLY 186 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1ghw n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghw s LYS 186 N -3.86 0.67 0.26 1.61 1.02 -1.26 -5.16 119.74 113.02 1ghw s LYS 186 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.27 1ghw s LYS 186 Cb 0.00 -0.57 -0.01 0.00 -0.52 0.00 0.00 37.83 36.74 1ghw s LYS 186 CO 0.00 0.13 0.06 0.54 -0.92 0.00 0.00 175.35 175.16 1ghw n ARG 187 N 1.68 0.87 0.00 1.68 5.12 -1.26 -4.75 116.66 120.00 1ghw n ARG 187 Ca -0.20 -2.11 0.00 0.00 -1.93 0.00 0.00 57.85 53.61 1ghw n ARG 187 Cb 0.55 0.98 0.00 0.00 -1.16 0.00 0.00 32.46 32.83 1ghw n ARG 187 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ghw n GLY 188 N 0.71 4.05 3.59 -0.13 0.00 -1.26 -4.91 105.19 107.24 1ghw n GLY 188 Ca -0.06 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.52 1ghw n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ghw s ASP 189 N 0.00 -0.03 0.70 1.61 2.15 -1.05 -4.67 116.67 115.38 1ghw s ASP 189 Ca 0.00 -0.07 -0.00 0.00 0.43 0.00 0.00 52.55 52.91 1ghw s ASP 189 Cb 0.00 0.08 0.11 0.00 -0.30 0.00 0.00 42.92 42.82 1ghw s ASP 189 CO 0.00 -0.15 0.96 0.00 -0.17 0.00 0.00 175.17 175.81 1ghw s ALA 190 N -2.22 3.73 0.38 3.66 0.00 -1.26 -1.26 121.76 124.80 1ghw s ALA 190 Ca 0.15 -1.67 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 1ghw s ALA 190 Cb 0.06 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 21.21 1ghw s ALA 190 CO -0.05 -1.35 0.69 0.00 0.00 0.00 0.00 175.76 175.04 1ghw n GLU 192 N -0.55 1.15 0.00 0.00 2.13 -1.26 -1.34 120.64 120.78 1ghw n GLU 192 Ca -0.06 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1ghw n GLU 192 Cb 0.59 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1ghw n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ghw n GLY 193 N 2.06 1.70 0.04 8.31 0.00 -1.26 -0.95 105.19 115.09 1ghw n GLY 193 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1ghw n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ghw n ASP 194 N 0.00 0.37 -4.35 1.61 8.00 -0.45 -4.09 116.55 117.64 1ghw n ASP 194 Ca 0.00 -0.02 -0.39 0.00 0.71 0.00 0.00 54.79 55.09 1ghw n ASP 194 Cb 0.00 1.37 0.02 0.00 -0.02 0.00 0.00 41.12 42.48 1ghw n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ghw n SER 195 N -2.27 -2.39 0.00 -2.24 7.64 -1.26 -1.99 113.62 111.11 1ghw n SER 195 Ca -0.02 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1ghw n SER 195 Cb 0.53 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1ghw n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ghw n GLY 196 N 2.16 3.08 3.87 0.23 0.00 -0.29 -0.85 105.19 113.39 1ghw n GLY 196 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1ghw n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ghw s GLY 197 N -1.52 1.63 0.27 -0.02 0.00 -0.84 -3.16 107.32 103.69 1ghw s GLY 197 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 44.72 43.82 1ghw s GLY 197 CO 0.00 -0.18 0.64 2.56 0.00 0.00 0.00 173.10 176.12 1ghw s PRO 198 N -5.59 3.92 -0.25 2.90 0.04 -1.26 -0.61 135.00 134.15 1ghw s PRO 198 Ca 0.66 0.49 0.01 0.00 0.04 0.00 0.00 61.00 62.20 1ghw s PRO 198 Cb -0.10 -2.57 0.05 0.00 0.04 0.00 0.00 34.50 31.92 1ghw s PRO 198 CO 0.51 0.25 -0.10 0.12 0.04 0.00 0.00 177.00 177.82 1ghw s PHE 199 N -1.86 3.15 0.23 0.56 2.19 -0.33 -3.66 117.98 118.26 1ghw s PHE 199 Ca 0.50 -2.03 0.10 0.00 0.33 0.00 0.00 56.93 55.84 1ghw s PHE 199 Cb -0.11 -1.97 -0.05 0.00 -1.31 0.00 0.00 43.02 39.58 1ghw s PHE 199 CO 0.19 -0.83 -0.19 0.14 1.83 0.00 0.00 175.22 176.36 1ghw s VAL 200 N 1.19 2.18 0.08 3.12 -7.23 -0.07 -1.08 120.40 118.60 1ghw s VAL 200 Ca -0.05 -2.22 0.04 0.00 -1.81 0.00 0.00 61.98 57.94 1ghw s VAL 200 Cb -0.18 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 1ghw s VAL 200 CO -0.06 -0.38 -0.11 -0.04 -0.31 0.00 0.00 175.10 174.20 1ghw s MET 201 N -3.28 0.80 -0.24 4.82 -1.94 0.07 -1.11 119.30 118.42 1ghw s MET 201 Ca 0.24 -1.06 -0.06 0.00 -1.71 0.00 0.00 55.69 53.10 1ghw s MET 201 Cb -0.05 -0.58 -0.02 0.00 2.01 0.00 0.00 34.83 36.19 1ghw s MET 201 CO 0.11 0.10 0.04 0.21 -0.01 0.00 0.00 175.02 175.47 1ghw s LYS 202 N -2.37 3.60 -0.02 2.03 2.20 -1.26 -0.59 119.74 123.32 1ghw s LYS 202 Ca 0.02 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 1ghw s LYS 202 Cb -0.06 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1ghw s LYS 202 CO 0.01 -0.17 1.47 0.45 -0.36 0.00 0.00 175.35 176.75 1ghw s SER 203 N 1.53 6.79 0.00 1.43 0.15 0.66 -4.89 113.70 119.38 1ghw s SER 203 Ca 0.06 2.14 0.27 0.00 0.70 0.00 0.00 55.95 59.12 1ghw s SER 203 Cb -0.15 -2.55 1.59 0.00 -1.71 0.00 0.00 66.02 63.20 1ghw s SER 203 CO 0.02 -0.79 1.95 -0.81 1.20 0.00 0.00 173.24 174.81 1ghw n PRO 204 N 5.90 0.82 -0.11 5.44 -0.04 -1.26 -0.89 135.00 144.85 1ghw n PRO 204 Ca 0.14 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.36 1ghw n PRO 204 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 1ghw n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ghw n PHE 204 N -1.01 0.64 -1.22 0.54 3.72 -1.26 -4.63 117.46 114.23 1ghw n PHE 204 Ca 0.20 0.26 0.08 0.00 -0.05 0.00 0.00 57.45 57.94 1ghw n PHE 204 Cb 0.10 -1.07 0.11 0.00 -0.94 0.00 0.00 39.48 37.68 1ghw n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1ghw n ASN 204 N -4.26 1.91 -1.66 4.37 2.04 -1.24 -5.00 115.26 111.42 1ghw n ASN 204 Ca -0.41 -2.87 -0.09 0.00 -0.44 0.00 0.00 54.58 50.77 1ghw n ASN 204 Cb 0.79 -0.38 -0.03 0.00 -2.53 0.00 0.00 39.78 37.63 1ghw n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ghw n ASN 205 N -1.16 -2.63 -4.95 0.53 4.13 -0.07 -4.95 115.26 106.15 1ghw n ASN 205 Ca 0.13 0.24 -0.24 0.00 1.68 0.00 0.00 54.58 56.39 1ghw n ASN 205 Cb 0.64 -2.49 -0.02 0.00 -1.54 0.00 0.00 39.78 36.37 1ghw n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ghw s ARG 206 N -3.52 3.45 -0.16 3.52 0.52 -1.24 -4.79 118.95 116.73 1ghw s ARG 206 Ca 0.00 -0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 54.48 1ghw s ARG 206 Cb 0.00 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 1ghw s ARG 206 CO 0.00 0.44 0.21 -1.58 0.02 0.00 0.00 175.30 174.39 1ghw s TRP 207 N -1.90 3.48 0.06 -0.53 0.52 -1.26 -0.24 118.94 119.07 1ghw s TRP 207 Ca 0.35 0.51 0.09 0.00 0.02 0.00 0.00 56.10 57.07 1ghw s TRP 207 Cb -0.10 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 29.99 1ghw s TRP 207 CO 0.29 0.37 -0.25 0.71 0.02 0.00 0.00 176.95 178.10 1ghw s TYR 208 N 0.06 2.15 -0.43 -1.98 2.02 0.24 -2.35 117.35 117.05 1ghw s TYR 208 Ca 0.13 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.27 1ghw s TYR 208 Cb -0.12 -1.26 0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1ghw s TYR 208 CO 0.02 0.15 0.43 -1.14 -1.57 0.00 0.00 175.55 173.44 1ghw s GLN 209 N -1.38 3.07 -0.08 -0.62 0.74 0.01 -0.76 119.66 120.65 1ghw s GLN 209 Ca 0.11 -0.84 0.08 0.00 0.05 0.00 0.00 55.36 54.75 1ghw s GLN 209 Cb -0.10 -3.99 -0.24 0.00 1.10 0.00 0.00 33.01 29.78 1ghw s GLN 209 CO 0.03 -0.88 0.51 -1.33 -0.55 0.00 0.00 175.29 173.06 1ghw n MET 210 N 5.56 0.67 -4.25 1.67 2.81 -0.24 -4.37 117.12 118.97 1ghw n MET 210 Ca -0.08 0.26 -0.14 0.00 -1.81 0.00 0.00 57.70 55.93 1ghw n MET 210 Cb 0.47 -1.74 -0.10 0.00 -0.71 0.00 0.00 33.22 31.14 1ghw n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ghw s GLY 211 N -5.31 1.61 -0.05 3.03 0.00 -1.00 -1.95 107.32 103.64 1ghw s GLY 211 Ca -0.11 -1.77 0.05 0.00 0.00 0.00 0.00 44.72 42.89 1ghw s GLY 211 CO 0.80 -1.48 -0.19 -0.42 0.00 0.00 0.00 173.10 171.81 1ghw s ILE 212 N -3.97 1.60 0.00 0.90 1.01 -1.15 -1.19 121.20 118.41 1ghw s ILE 212 Ca 0.38 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 1ghw s ILE 212 Cb 0.07 -1.37 -0.07 0.00 0.01 0.00 0.00 42.46 41.10 1ghw s ILE 212 CO 0.13 0.46 1.72 -0.69 0.00 0.00 0.00 174.94 176.56 1ghw s VAL 213 N 0.02 3.29 -0.01 2.92 1.01 0.22 -1.49 120.40 126.36 1ghw s VAL 213 Ca -0.05 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 1ghw s VAL 213 Cb -0.12 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1ghw s VAL 213 CO 0.03 -0.03 -0.07 -0.24 0.00 0.00 0.00 175.10 174.79 1ghw n SER 214 N 6.76 0.69 -2.97 3.32 2.88 -0.72 -1.14 113.62 122.44 1ghw n SER 214 Ca 0.17 0.10 -0.12 0.00 -1.33 0.00 0.00 58.87 57.70 1ghw n SER 214 Cb 0.42 -0.36 -0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1ghw n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ghw s TRP 215 N -1.65 0.61 -0.14 0.66 1.48 -0.82 -4.89 118.94 114.20 1ghw s TRP 215 Ca -0.06 -1.09 -0.34 0.00 -1.06 0.00 0.00 56.10 53.56 1ghw s TRP 215 Cb 0.01 0.41 0.14 0.00 -1.16 0.00 0.00 33.47 32.86 1ghw s TRP 215 CO 0.09 -1.40 1.30 0.20 -4.06 0.00 0.00 176.95 173.07 1ghw s GLY 216 N -3.17 -0.35 -0.48 3.67 0.00 -1.26 -0.44 107.32 105.30 1ghw s GLY 216 Ca 0.23 1.26 -0.06 0.00 0.00 0.00 0.00 44.72 46.15 1ghw s GLY 216 CO 0.17 0.36 0.31 -0.54 0.00 0.00 0.00 173.10 173.40 1ghw s GLU 217 N -2.30 2.32 0.87 2.90 2.02 -1.26 -4.96 118.70 118.28 1ghw s GLU 217 Ca 0.12 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.18 1ghw s GLU 217 Cb 0.02 -3.77 0.00 0.00 0.10 0.00 0.00 34.13 30.48 1ghw s GLU 217 CO -0.04 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.50 1ghw n GLY 219 N 4.53 -2.12 3.06 -1.39 0.00 -1.26 -4.71 105.19 103.31 1ghw n GLY 219 Ca -0.02 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 1ghw n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghw n ASP 221 N 3.26 -3.28 -4.78 0.00 2.03 -1.26 -4.60 116.55 107.92 1ghw n ASP 221 Ca -0.18 -0.70 -0.38 0.00 0.52 0.00 0.00 54.79 54.05 1ghw n ASP 221 Cb 0.53 -2.71 -0.06 0.00 -0.72 0.00 0.00 41.12 38.16 1ghw n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ghw s ARG 221 N -6.49 4.58 0.24 -0.67 0.52 -1.26 -4.95 118.95 110.92 1ghw s ARG 221 Ca 0.58 1.28 -0.30 0.00 -0.52 0.00 0.00 55.73 56.77 1ghw s ARG 221 Cb -0.32 -2.92 -0.09 0.00 0.52 0.00 0.00 34.95 32.14 1ghw s ARG 221 CO 0.71 0.36 1.18 -0.51 0.02 0.00 0.00 175.30 177.06 1ghw s ASP 222 N -1.52 7.11 0.00 0.23 1.11 -1.26 -2.60 116.67 119.74 1ghw s ASP 222 Ca 0.47 2.32 0.00 0.00 0.18 0.00 0.00 52.55 55.52 1ghw s ASP 222 Cb -0.20 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.17 1ghw s ASP 222 CO 0.25 -0.31 0.00 0.61 1.18 0.00 0.00 175.17 176.90 1ghw n GLY 223 N 1.59 1.50 3.72 0.21 0.00 -1.26 -5.00 105.19 105.95 1ghw n GLY 223 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1ghw n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghw s LYS 224 N -0.76 2.39 0.14 1.61 -0.14 -1.07 -4.78 119.74 117.13 1ghw s LYS 224 Ca 0.00 -1.50 -0.01 0.00 -1.36 0.00 0.00 55.97 53.10 1ghw s LYS 224 Cb 0.00 -2.19 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 1ghw s LYS 224 CO 0.00 0.17 0.08 0.71 -0.76 0.00 0.00 175.35 175.55 1ghw s TYR 225 N -2.39 0.89 0.09 3.18 2.02 -1.26 -4.77 117.35 115.10 1ghw s TYR 225 Ca 0.36 -1.24 -0.02 0.00 -0.37 0.00 0.00 57.07 55.80 1ghw s TYR 225 Cb -0.04 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 1ghw s TYR 225 CO 0.22 -0.55 0.28 0.20 -1.57 0.00 0.00 175.55 174.13 1ghw s GLY 226 N -3.06 2.21 0.04 0.71 0.00 -1.01 -4.49 107.32 101.72 1ghw s GLY 226 Ca 0.26 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.33 1ghw s GLY 226 CO 0.03 -0.66 -0.14 -1.36 0.00 0.00 0.00 173.10 170.98 1ghw s PHE 227 N -1.55 2.67 0.08 1.90 0.40 0.42 -1.31 117.98 120.60 1ghw s PHE 227 Ca 0.37 -0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.57 1ghw s PHE 227 Cb -0.13 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 1ghw s PHE 227 CO 0.26 0.31 -0.15 0.71 0.70 0.00 0.00 175.22 177.05 1ghw s TYR 228 N -0.99 1.30 0.27 0.36 1.51 0.12 -1.75 117.35 118.18 1ghw s TYR 228 Ca 0.16 -0.47 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1ghw s TYR 228 Cb -0.11 -0.72 -0.09 0.00 -0.11 0.00 0.00 41.96 40.93 1ghw s TYR 228 CO 0.07 0.08 1.06 0.99 -1.11 0.00 0.00 175.55 176.65 1ghw s THR 229 N -1.40 3.62 -0.97 -0.71 2.01 -0.56 -1.55 115.64 116.08 1ghw s THR 229 Ca 0.00 1.63 -0.22 0.00 0.31 0.00 0.00 61.69 63.41 1ghw s THR 229 Cb -0.09 -4.03 0.07 0.00 0.01 0.00 0.00 72.50 68.46 1ghw s THR 229 CO 0.03 0.39 1.34 -2.28 -0.69 0.00 0.00 174.62 173.40 1ghw s HIS 230 N -1.17 2.70 0.20 4.92 2.46 -0.36 -2.91 115.29 121.12 1ghw s HIS 230 Ca 0.44 -0.96 -0.12 0.00 0.47 0.00 0.00 55.06 54.88 1ghw s HIS 230 Cb -0.30 -4.56 0.25 0.00 -0.13 0.00 0.00 32.58 27.83 1ghw s HIS 230 CO 0.39 -1.81 1.67 0.28 -2.47 0.00 0.00 174.74 172.80 1ghw h VAL 231 N 6.47 0.52 -0.48 0.89 2.07 -1.72 -2.59 116.25 121.41 1ghw h VAL 231 Ca 0.16 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.66 1ghw h VAL 231 Cb 1.02 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1ghw h VAL 231 CO 1.32 0.02 0.28 0.15 0.02 0.00 0.00 177.57 179.36 1ghw h PHE 232 N 0.10 0.53 0.00 1.57 3.57 -1.88 -1.21 116.94 119.62 1ghw h PHE 232 Ca 0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1ghw h PHE 232 Cb 0.46 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1ghw h PHE 232 CO -0.36 0.30 0.00 0.00 -2.23 0.00 0.00 178.31 176.02 1ghw h ARG 233 N 0.57 0.00 -0.15 1.11 3.08 -1.84 -0.79 114.38 116.36 1ghw h ARG 233 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1ghw h ARG 233 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1ghw h ARG 233 CO -0.09 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.09 1ghw n LEU 234 N -2.33 2.26 -0.25 3.04 4.77 -0.74 -4.67 117.00 119.09 1ghw n LEU 234 Ca -0.01 -1.65 0.10 0.00 -0.03 0.00 0.00 56.01 54.42 1ghw n LEU 234 Cb 0.05 -0.10 0.36 0.00 -2.33 0.00 0.00 43.42 41.40 1ghw n LEU 234 CO 0.11 0.54 1.22 0.50 -1.33 0.00 0.00 177.39 178.43 1ghw h LYS 235 N 1.39 0.71 -0.34 3.23 3.64 0.02 -0.43 116.57 124.79 1ghw h LYS 235 Ca 0.00 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1ghw h LYS 235 Cb 0.53 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1ghw h LYS 235 CO 0.00 0.47 -0.02 0.87 -2.27 0.00 0.00 179.45 178.50 1ghw h LYS 236 N 0.73 0.54 -0.30 1.90 1.79 -1.83 0.63 116.57 120.03 1ghw h LYS 236 Ca 0.41 -0.13 -0.16 0.00 -2.18 0.00 0.00 60.65 58.59 1ghw h LYS 236 Cb 0.56 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1ghw h LYS 236 CO -0.17 0.59 -0.42 2.35 -1.08 0.00 0.00 179.45 180.72 1ghw h TRP 237 N 0.52 1.01 0.56 -1.35 7.01 -1.46 -2.16 115.95 120.08 1ghw h TRP 237 Ca 0.11 -0.33 -0.02 0.00 2.11 0.00 0.00 58.89 60.76 1ghw h TRP 237 Cb 0.37 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1ghw h TRP 237 CO 0.01 1.13 -0.34 0.82 -2.79 0.00 0.00 178.44 177.28 1ghw h ILE 238 N 0.59 0.31 -0.67 2.65 2.04 -0.34 -2.31 117.51 119.77 1ghw h ILE 238 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 1ghw h ILE 238 Cb 1.01 0.31 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 1ghw h ILE 238 CO 0.10 0.00 0.20 1.56 0.00 0.00 0.00 178.15 180.01 1ghw h GLN 239 N -0.85 0.33 0.39 2.37 4.20 -0.94 -1.26 115.11 119.34 1ghw h GLN 239 Ca -0.07 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1ghw h GLN 239 Cb 0.69 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1ghw h GLN 239 CO 0.07 0.22 -0.32 -0.22 -0.67 0.00 0.00 178.83 177.91 1ghw h LYS 240 N 0.34 -0.68 -0.22 1.46 3.64 -1.21 0.58 116.57 120.47 1ghw h LYS 240 Ca 0.36 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1ghw h LYS 240 Cb 0.55 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1ghw h LYS 240 CO -0.41 -0.46 -0.16 -0.24 -2.27 0.00 0.00 179.45 175.92 1ghw h VAL 241 N -0.71 1.22 -0.21 2.00 3.04 -1.01 -1.59 116.25 118.99 1ghw h VAL 241 Ca -0.03 -0.99 -0.15 0.00 -1.01 0.00 0.00 66.70 64.52 1ghw h VAL 241 Cb 0.62 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 1ghw h VAL 241 CO -0.02 0.31 -0.51 0.40 -1.01 0.00 0.00 177.57 176.74 1ghw h ILE 242 N 0.35 1.31 -0.38 3.17 2.04 -0.87 -0.91 117.51 122.22 1ghw h ILE 242 Ca 0.06 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1ghw h ILE 242 Cb 0.48 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1ghw h ILE 242 CO 0.03 0.54 0.00 -0.90 0.00 0.00 0.00 178.15 177.82 1ghw n ASP 243 N -3.98 2.53 -0.00 1.72 5.68 0.16 -3.65 116.55 119.01 1ghw n ASP 243 Ca -0.03 -1.91 0.05 0.00 -0.50 0.00 0.00 54.79 52.40 1ghw n ASP 243 Cb 0.58 -0.25 -0.07 0.00 -1.14 0.00 0.00 41.12 40.25 1ghw n ASP 243 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1ghw n GLN 244 N 0.88 0.64 0.00 0.11 7.27 -0.62 -5.06 117.38 120.61 1ghw n GLN 244 Ca 0.17 -0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1ghw n GLN 244 Cb 0.43 -1.19 0.00 0.00 2.41 0.00 0.00 30.24 31.89 1ghw n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32