#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h8i s VAL 17 N 0.00 5.05 -1.50 1.39 1.01 -0.25 -4.22 120.40 121.89 1h8i s VAL 17 Ca 0.00 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 1h8i s VAL 17 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1h8i s VAL 17 CO 0.00 0.47 0.67 -0.62 0.00 0.00 0.00 175.10 175.62 1h8i n GLU 18 N 2.60 -5.07 0.00 2.72 -0.58 -1.26 -2.73 120.64 116.32 1h8i n GLU 18 Ca -0.10 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 1h8i n GLU 18 Cb 0.52 -5.69 0.00 0.00 -0.57 0.00 0.00 31.44 25.70 1h8i n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h8i n GLY 19 N -1.54 2.05 3.24 0.62 0.00 -1.26 -4.59 105.19 103.72 1h8i n GLY 19 Ca -0.08 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 1h8i n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h8i s SER 20 N -0.91 0.15 0.23 1.61 0.01 -0.46 -4.93 113.70 109.41 1h8i s SER 20 Ca 0.00 -0.88 -0.30 0.00 1.31 0.00 0.00 55.95 56.08 1h8i s SER 20 Cb 0.00 0.36 -0.10 0.00 0.21 0.00 0.00 66.02 66.49 1h8i s SER 20 CO 0.00 -0.79 1.46 -1.81 0.41 0.00 0.00 173.24 172.50 1h8i s ASP 21 N -2.95 6.65 0.80 2.44 1.11 -1.26 -0.31 116.67 123.15 1h8i s ASP 21 Ca 0.14 2.64 -0.13 0.00 0.18 0.00 0.00 52.55 55.38 1h8i s ASP 21 Cb 0.05 -2.62 0.08 0.00 1.07 0.00 0.00 42.92 41.50 1h8i s ASP 21 CO -0.04 -0.72 1.20 0.00 1.18 0.00 0.00 175.17 176.80 1h8i s ALA 22 N 0.20 1.87 0.61 5.23 0.00 0.74 -4.78 121.76 125.63 1h8i s ALA 22 Ca 0.61 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 1h8i s ALA 22 Cb -0.42 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 1h8i s ALA 22 CO 0.41 -2.24 1.01 -1.21 0.00 0.00 0.00 175.76 173.73 1h8i s GLU 23 N -4.14 3.60 0.10 0.00 2.02 -1.26 -4.94 118.70 114.09 1h8i s GLU 23 Ca 0.73 0.72 -0.31 0.00 0.02 0.00 0.00 54.97 56.13 1h8i s GLU 23 Cb -0.28 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.76 1h8i s GLU 23 CO 0.50 -0.54 1.62 0.42 0.02 0.00 0.00 175.26 177.28 1h8i s ILE 24 N -3.14 2.90 -0.23 -1.63 -1.09 -1.26 -1.89 121.20 114.86 1h8i s ILE 24 Ca 0.55 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1h8i s ILE 24 Cb -0.11 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1h8i s ILE 24 CO 0.53 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1h8i n GLY 25 N 3.90 0.55 0.18 6.18 0.00 -1.26 -4.90 105.19 109.84 1h8i n GLY 25 Ca 0.15 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 1h8i n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1h8i h MET 26 N 0.40 0.33 -2.18 1.61 -1.53 -1.75 -3.36 114.93 108.45 1h8i h MET 26 Ca -0.04 -0.22 -0.58 0.00 -3.44 0.00 0.00 59.70 55.43 1h8i h MET 26 Cb 0.24 0.03 -0.39 0.00 -0.55 0.00 0.00 31.60 30.93 1h8i h MET 26 CO 0.06 0.81 -0.99 0.45 0.14 0.00 0.00 176.91 177.39 1h8i n SER 27 N -3.91 0.56 0.01 1.39 2.88 -1.26 -4.97 113.62 108.32 1h8i n SER 27 Ca -0.03 -2.72 0.08 0.00 -1.33 0.00 0.00 58.87 54.88 1h8i n SER 27 Cb 0.61 -0.63 0.37 0.00 -0.75 0.00 0.00 64.21 63.81 1h8i n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1h8i n PRO 28 N 1.76 0.02 0.00 -1.46 -0.04 -1.26 -0.98 135.00 133.04 1h8i n PRO 28 Ca 0.24 0.22 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 1h8i n PRO 28 Cb 0.49 -1.53 0.57 0.00 -0.04 0.00 0.00 33.50 33.00 1h8i n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1h8i n TRP 29 N -1.56 0.00 -2.15 0.54 2.14 -0.89 -1.52 117.44 114.00 1h8i n TRP 29 Ca 0.04 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 1h8i n TRP 29 Cb 0.20 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 30.64 1h8i n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1h8i s GLN 30 N -2.12 4.33 -0.03 -2.67 2.00 -0.15 -0.73 119.66 120.29 1h8i s GLN 30 Ca 0.37 2.11 0.05 0.00 -2.00 0.00 0.00 55.36 55.88 1h8i s GLN 30 Cb 0.21 -3.20 -0.01 0.00 0.80 0.00 0.00 33.01 30.81 1h8i s GLN 30 CO 0.38 -0.37 -0.17 0.08 -0.50 0.00 0.00 175.29 174.71 1h8i s VAL 31 N 0.57 1.35 -0.20 1.34 1.01 -0.29 -3.96 120.40 120.22 1h8i s VAL 31 Ca 0.61 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1h8i s VAL 31 Cb -0.38 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1h8i s VAL 31 CO 0.35 0.39 0.18 -0.32 0.00 0.00 0.00 175.10 175.70 1h8i s MET 32 N -0.13 4.19 -0.20 2.72 1.75 -0.25 -1.82 119.30 125.55 1h8i s MET 32 Ca 0.01 -0.14 -0.19 0.00 -1.25 0.00 0.00 55.69 54.12 1h8i s MET 32 Cb -0.09 -3.44 -0.03 0.00 2.84 0.00 0.00 34.83 34.10 1h8i s MET 32 CO 0.01 0.24 0.53 -0.51 -0.65 0.00 0.00 175.02 174.64 1h8i s LEU 33 N 0.52 4.15 -0.10 4.11 1.43 -0.06 -0.47 118.68 128.26 1h8i s LEU 33 Ca 0.10 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1h8i s LEU 33 Cb -0.12 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.39 1h8i s LEU 33 CO 0.00 -0.19 -0.19 0.12 0.23 0.00 0.00 176.35 176.33 1h8i s PHE 34 N 1.64 2.15 0.18 0.29 2.19 -0.13 -0.21 117.98 124.09 1h8i s PHE 34 Ca 0.24 -0.92 -0.30 0.00 0.33 0.00 0.00 56.93 56.28 1h8i s PHE 34 Cb -0.15 -1.49 -0.07 0.00 -1.31 0.00 0.00 43.02 39.99 1h8i s PHE 34 CO 0.10 -0.42 1.00 0.50 1.83 0.00 0.00 175.22 178.22 1h8i s ARG 35 N 0.63 4.72 0.10 10.12 3.52 0.12 -0.86 118.95 137.30 1h8i s ARG 35 Ca -0.13 1.55 -0.14 0.00 -0.13 0.00 0.00 55.73 56.88 1h8i s ARG 35 Cb -0.16 -3.31 -0.14 0.00 -1.56 0.00 0.00 34.95 29.77 1h8i s ARG 35 CO 0.04 0.28 1.32 0.87 -0.81 0.00 0.00 175.30 177.00 1h8i h LYS 36 N 4.90 0.76 -2.06 5.12 1.57 -1.76 -2.79 116.57 122.31 1h8i h LYS 36 Ca -0.44 -0.57 0.03 0.00 -1.87 0.00 0.00 60.65 57.80 1h8i h LYS 36 Cb 1.21 0.10 -0.22 0.00 0.08 0.00 0.00 32.23 33.40 1h8i h LYS 36 CO 0.70 1.19 -0.20 0.45 -0.57 0.00 0.00 179.45 181.02 1h8i s SER 36 N -6.95 -0.92 0.76 0.86 0.15 -1.26 -3.48 113.70 102.86 1h8i s SER 36 Ca -0.11 1.37 -0.13 0.00 0.70 0.00 0.00 55.95 57.78 1h8i s SER 36 Cb 0.08 2.04 0.06 0.00 -1.71 0.00 0.00 66.02 66.49 1h8i s SER 36 CO 0.88 -0.23 1.15 -2.16 1.20 0.00 0.00 173.24 174.09 1h8i s PRO 37 N 2.82 2.08 -0.39 5.44 0.04 -1.26 -5.06 135.00 138.67 1h8i s PRO 37 Ca -0.03 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 1h8i s PRO 37 Cb -0.12 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1h8i s PRO 37 CO -0.18 -1.83 1.37 -0.65 0.04 0.00 0.00 177.00 175.75 1h8i s GLN 38 N -4.29 3.66 0.22 4.56 -0.21 -1.23 -4.62 119.66 117.76 1h8i s GLN 38 Ca 0.69 0.99 -0.21 0.00 0.02 0.00 0.00 55.36 56.84 1h8i s GLN 38 Cb -0.24 -3.99 0.04 0.00 1.00 0.00 0.00 33.01 29.83 1h8i s GLN 38 CO 0.49 -1.46 0.65 -1.83 -2.12 0.00 0.00 175.29 171.03 1h8i s GLU 39 N 4.74 1.55 0.03 2.91 -1.05 -1.05 -4.97 118.70 120.86 1h8i s GLU 39 Ca 0.59 -0.77 -0.30 0.00 -0.15 0.00 0.00 54.97 54.34 1h8i s GLU 39 Cb -0.14 0.59 -0.06 0.00 -0.44 0.00 0.00 34.13 34.09 1h8i s GLU 39 CO 0.30 -0.70 1.34 -1.17 0.95 0.00 0.00 175.26 175.99 1h8i s LEU 40 N -2.85 4.33 -0.20 1.83 2.96 -1.26 0.16 118.68 123.65 1h8i s LEU 40 Ca 0.07 2.11 0.09 0.00 -0.22 0.00 0.00 54.13 56.18 1h8i s LEU 40 Cb -0.04 -3.57 -0.19 0.00 0.50 0.00 0.00 46.19 42.90 1h8i s LEU 40 CO -0.02 -0.65 -0.07 0.00 -1.32 0.00 0.00 176.35 174.29 1h8i n LEU 41 N 4.83 1.47 -3.95 -0.68 -0.00 0.71 -4.85 117.00 114.52 1h8i n LEU 41 Ca 0.12 -0.06 0.02 0.00 -0.00 0.00 0.00 56.01 56.09 1h8i n LEU 41 Cb 0.44 -0.17 0.01 0.00 -0.00 0.00 0.00 43.42 43.70 1h8i n LEU 41 CO 0.58 0.66 1.08 0.00 -0.00 0.00 0.00 177.39 179.71 1h8i n GLY 43 N -0.86 0.76 0.00 0.00 0.00 0.55 -0.89 105.19 104.76 1h8i n GLY 43 Ca 0.02 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1h8i n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h8i n ALA 44 N -2.96 0.00 -2.72 4.61 0.00 -0.76 -3.65 120.51 115.03 1h8i n ALA 44 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 1h8i n ALA 44 Cb 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.55 1h8i n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1h8i s SER 45 N 0.00 0.43 -0.29 0.00 1.04 -0.06 -1.14 113.70 113.68 1h8i s SER 45 Ca 0.00 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 55.62 1h8i s SER 45 Cb 0.00 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1h8i s SER 45 CO 0.00 -0.36 0.44 -0.22 0.98 0.00 0.00 173.24 174.07 1h8i s LEU 46 N -1.89 4.14 0.00 2.42 0.20 0.09 -0.49 118.68 123.15 1h8i s LEU 46 Ca -0.09 0.23 0.08 0.00 0.69 0.00 0.00 54.13 55.05 1h8i s LEU 46 Cb -0.05 -2.51 0.01 0.00 -0.43 0.00 0.00 46.19 43.21 1h8i s LEU 46 CO -0.03 -0.29 0.59 2.30 -0.29 0.00 0.00 176.35 178.64 1h8i n ILE 47 N 5.21 0.00 -3.68 6.68 -5.35 -0.43 -1.98 119.36 119.81 1h8i n ILE 47 Ca -0.07 -0.43 -0.02 0.00 -0.27 0.00 0.00 62.75 61.97 1h8i n ILE 47 Cb 0.50 1.11 0.01 0.00 -1.74 0.00 0.00 39.64 39.52 1h8i n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1h8i n SER 48 N -0.18 -0.99 0.00 7.28 3.41 -1.16 -4.76 113.62 117.22 1h8i n SER 48 Ca 0.04 -1.53 0.14 0.00 -0.26 0.00 0.00 58.87 57.25 1h8i n SER 48 Cb 0.18 1.62 0.70 0.00 -0.26 0.00 0.00 64.21 66.45 1h8i n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1h8i n ASP 49 N -1.00 0.00 0.00 4.04 5.75 -1.26 -3.58 116.55 120.50 1h8i n ASP 49 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1h8i n ASP 49 Cb 0.33 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1h8i n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1h8i n ARG 50 N -1.33 0.61 -4.78 0.11 1.74 -1.26 -0.82 116.66 110.93 1h8i n ARG 50 Ca 0.12 -0.66 -0.25 0.00 -0.77 0.00 0.00 57.85 56.29 1h8i n ARG 50 Cb 0.25 -0.74 -0.15 0.00 -1.02 0.00 0.00 32.46 30.80 1h8i n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1h8i s TRP 51 N -0.27 1.62 -0.02 -1.55 0.52 -1.24 -0.57 118.94 117.43 1h8i s TRP 51 Ca 0.00 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 55.84 1h8i s TRP 51 Cb 0.00 -1.02 -0.01 0.00 -1.15 0.00 0.00 33.47 31.29 1h8i s TRP 51 CO 0.00 0.00 -0.15 0.08 0.02 0.00 0.00 176.95 176.90 1h8i s VAL 52 N -0.53 1.25 -0.08 4.03 1.01 -0.37 -1.32 120.40 124.40 1h8i s VAL 52 Ca 0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1h8i s VAL 52 Cb -0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1h8i s VAL 52 CO -0.00 0.36 0.01 -0.22 0.00 0.00 0.00 175.10 175.25 1h8i s LEU 53 N -0.19 3.63 0.00 3.92 2.96 0.36 -0.89 118.68 128.47 1h8i s LEU 53 Ca 0.02 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1h8i s LEU 53 Cb -0.08 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1h8i s LEU 53 CO 0.00 0.37 0.09 1.07 -1.32 0.00 0.00 176.35 176.56 1h8i n THR 54 N 2.01 0.00 -3.37 3.68 5.66 -0.20 -0.88 114.28 121.18 1h8i n THR 54 Ca -0.18 -0.22 -0.38 0.00 -3.05 0.00 0.00 64.05 60.22 1h8i n THR 54 Cb 0.54 0.16 -0.06 0.00 -1.55 0.00 0.00 70.33 69.41 1h8i n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h8i s ALA 55 N -1.53 3.58 0.31 1.79 0.00 -1.26 -1.19 121.76 123.45 1h8i s ALA 55 Ca 0.04 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1h8i s ALA 55 Cb -0.00 -2.55 0.69 0.00 0.00 0.00 0.00 23.12 21.26 1h8i s ALA 55 CO 0.03 0.26 1.82 0.00 0.00 0.00 0.00 175.76 177.87 1h8i h ALA 56 N 5.54 1.66 0.00 0.00 0.00 -1.67 -2.12 119.26 122.68 1h8i h ALA 56 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1h8i h ALA 56 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1h8i h ALA 56 CO 0.68 0.04 0.00 -2.39 0.00 0.00 0.00 179.25 177.58 1h8i n HIS 57 N -4.65 0.35 0.23 0.00 1.44 -1.26 -0.51 115.22 110.82 1h8i n HIS 57 Ca 0.20 0.13 0.08 0.00 -2.01 0.00 0.00 57.72 56.12 1h8i n HIS 57 Cb 0.47 -0.72 0.54 0.00 0.12 0.00 0.00 29.99 30.40 1h8i n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1h8i n LEU 59 N -3.87 0.10 -3.65 0.00 4.77 0.12 -4.89 117.00 109.57 1h8i n LEU 59 Ca -0.02 -0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 1h8i n LEU 59 Cb 0.32 0.24 -0.17 0.00 -2.33 0.00 0.00 43.42 41.47 1h8i n LEU 59 CO 0.34 0.28 -0.31 -0.22 -1.33 0.00 0.00 177.39 176.15 1h8i s LEU 60 N -4.81 0.13 0.18 2.23 2.96 0.33 -0.68 118.68 119.02 1h8i s LEU 60 Ca -0.06 -0.03 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 1h8i s LEU 60 Cb 0.03 -0.05 0.05 0.00 0.50 0.00 0.00 46.19 46.72 1h8i s LEU 60 CO 0.43 -0.27 0.58 -0.47 -1.32 0.00 0.00 176.35 175.30 1h8i s TYR 60 N 2.20 -0.37 0.00 5.38 5.04 0.34 -4.07 117.35 125.86 1h8i s TYR 60 Ca 0.04 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 1h8i s TYR 60 Cb -0.13 0.52 0.00 0.00 0.35 0.00 0.00 41.96 42.70 1h8i s TYR 60 CO -0.05 -0.91 0.00 -2.30 -1.34 0.00 0.00 175.55 170.95 1h8i n PRO 60 N -0.37 0.00 -0.39 4.97 -0.02 -1.26 -2.02 135.00 135.91 1h8i n PRO 60 Ca -0.14 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.44 1h8i n PRO 60 Cb 0.63 0.00 0.28 0.00 -0.02 0.00 0.00 33.50 34.40 1h8i n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1h8i n TRP 60 N 0.00 0.98 -3.89 6.00 8.01 -1.26 -4.96 117.44 122.31 1h8i n TRP 60 Ca 0.00 -0.55 -0.28 0.00 -1.31 0.00 0.00 57.50 55.35 1h8i n TRP 60 Cb 0.00 -0.09 0.02 0.00 -2.01 0.00 0.00 31.31 29.23 1h8i n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1h8i n ASP 60 N 1.07 -3.46 -4.58 -0.99 8.00 -1.11 -4.97 116.55 110.51 1h8i n ASP 60 Ca 0.21 -0.83 -0.35 0.00 0.71 0.00 0.00 54.79 54.54 1h8i n ASP 60 Cb 0.66 -3.76 -0.11 0.00 -0.02 0.00 0.00 41.12 37.89 1h8i n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1h8i s LYS 60 N -6.49 3.88 -0.50 -1.24 2.20 -0.86 -5.00 119.74 111.72 1h8i s LYS 60 Ca 0.46 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.74 1h8i s LYS 60 Cb -0.23 -3.20 0.19 0.00 -1.51 0.00 0.00 37.83 33.08 1h8i s LYS 60 CO 0.84 0.18 0.77 -1.71 -0.36 0.00 0.00 175.35 175.07 1h8i n ASN 60 N 3.80 -3.26 -4.79 1.43 5.15 -1.24 -0.51 115.26 115.85 1h8i n ASN 60 Ca -0.17 -2.73 -0.36 0.00 -0.60 0.00 0.00 54.58 50.72 1h8i n ASN 60 Cb 0.52 1.66 -0.07 0.00 -0.53 0.00 0.00 39.78 41.36 1h8i n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1h8i s PHE 60 N 0.88 3.64 0.45 1.20 0.08 0.15 -5.03 117.98 119.35 1h8i s PHE 60 Ca 0.29 1.76 0.08 0.00 0.12 0.00 0.00 56.93 59.18 1h8i s PHE 60 Cb 0.02 -2.91 0.01 0.00 -0.57 0.00 0.00 43.02 39.56 1h8i s PHE 60 CO -0.06 0.17 0.48 -0.08 -0.10 0.00 0.00 175.22 175.63 1h8i s THR 60 N -1.69 2.61 0.22 0.64 -1.32 -1.26 -4.94 115.64 109.90 1h8i s THR 60 Ca 0.52 -1.22 -0.09 0.00 -1.21 0.00 0.00 61.69 59.69 1h8i s THR 60 Cb -0.17 -2.83 0.20 0.00 -1.51 0.00 0.00 72.50 68.18 1h8i s THR 60 CO 0.22 0.00 1.69 -0.33 -2.21 0.00 0.00 174.62 173.99 1h8i h GLU 61 N 0.80 0.21 0.00 7.08 4.39 -1.95 -1.81 114.58 123.30 1h8i h GLU 61 Ca -0.39 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1h8i h GLU 61 Cb 1.28 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1h8i h GLU 61 CO 0.52 0.14 0.00 -0.91 -1.16 0.00 0.00 179.01 177.60 1h8i h ASN 62 N 0.22 0.00 1.42 1.42 2.35 -1.96 -3.15 115.58 115.88 1h8i h ASN 62 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1h8i h ASN 62 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1h8i h ASN 62 CO -0.48 0.00 -0.13 0.44 -1.65 0.00 0.00 177.43 175.61 1h8i h ASP 63 N 0.00 0.00 -3.65 5.81 3.32 -1.72 -3.48 116.42 116.70 1h8i h ASP 63 Ca 0.00 -0.04 -0.42 0.00 0.02 0.00 0.00 57.03 56.59 1h8i h ASP 63 Cb 0.26 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.67 1h8i h ASP 63 CO 0.00 0.02 -0.62 -0.76 -1.72 0.00 0.00 179.24 176.16 1h8i s LEU 64 N -4.70 2.07 0.17 1.55 1.02 -1.19 -2.22 118.68 115.38 1h8i s LEU 64 Ca 0.09 -1.34 0.06 0.00 0.02 0.00 0.00 54.13 52.97 1h8i s LEU 64 Cb 0.12 -0.28 -0.04 0.00 0.02 0.00 0.00 46.19 46.00 1h8i s LEU 64 CO 0.63 -0.60 -0.12 -0.76 0.02 0.00 0.00 176.35 175.52 1h8i s LEU 65 N -3.41 2.53 -0.19 1.79 1.02 -0.04 -4.54 118.68 115.84 1h8i s LEU 65 Ca 0.35 -1.00 -0.05 0.00 0.02 0.00 0.00 54.13 53.45 1h8i s LEU 65 Cb 0.08 -0.49 -0.02 0.00 0.02 0.00 0.00 46.19 45.77 1h8i s LEU 65 CO 0.13 -0.25 -0.01 -0.69 0.02 0.00 0.00 176.35 175.55 1h8i s VAL 66 N -3.10 3.86 -0.22 -1.59 1.01 -0.06 -0.95 120.40 119.36 1h8i s VAL 66 Ca 0.18 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1h8i s VAL 66 Cb 0.01 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1h8i s VAL 66 CO 0.03 0.44 -0.02 -0.13 0.00 0.00 0.00 175.10 175.42 1h8i s ARG 67 N 0.93 3.47 0.03 2.72 0.52 0.39 -0.77 118.95 126.24 1h8i s ARG 67 Ca 0.01 -0.58 0.09 0.00 -0.52 0.00 0.00 55.73 54.72 1h8i s ARG 67 Cb -0.14 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 1h8i s ARG 67 CO 0.02 -0.13 -0.25 0.42 0.02 0.00 0.00 175.30 175.38 1h8i s ILE 68 N 1.33 2.21 0.00 1.52 1.01 0.15 -1.09 121.20 126.33 1h8i s ILE 68 Ca 0.04 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1h8i s ILE 68 Cb -0.14 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1h8i s ILE 68 CO -0.01 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1h8i n GLY 69 N 1.92 0.53 3.90 6.18 0.00 -1.25 0.01 105.19 116.48 1h8i n GLY 69 Ca -0.17 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 1h8i n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8i s LYS 70 N -1.61 3.26 0.05 1.61 1.02 -1.26 -4.32 119.74 118.49 1h8i s LYS 70 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.27 1h8i s LYS 70 Cb 0.00 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1h8i s LYS 70 CO 0.00 -0.55 0.00 1.58 -0.92 0.00 0.00 175.35 175.46 1h8i n HIS 71 N -2.57 -0.37 -1.67 3.18 -0.00 -1.26 -4.93 115.22 107.60 1h8i n HIS 71 Ca 0.04 0.07 -0.40 0.00 -0.00 0.00 0.00 57.72 57.42 1h8i n HIS 71 Cb 0.56 0.35 0.03 0.00 -0.00 0.00 0.00 29.99 30.93 1h8i n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1h8i n SER 72 N -2.71 1.91 -0.00 0.26 2.88 -1.26 -0.50 113.62 114.20 1h8i n SER 72 Ca 0.00 1.01 -0.12 0.00 -1.33 0.00 0.00 58.87 58.42 1h8i n SER 72 Cb 0.00 -1.46 -0.10 0.00 -0.75 0.00 0.00 64.21 61.90 1h8i n SER 72 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1h8i h ARG 73 N 1.51 -0.07 0.00 -1.46 2.43 -1.26 -3.40 114.38 112.14 1h8i h ARG 73 Ca -0.48 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.56 1h8i h ARG 73 Cb 1.32 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 1h8i h ARG 73 CO 0.57 0.51 -2.02 2.41 -1.51 0.00 0.00 179.97 179.93 1h8i n THR 74 N -4.82 0.62 -2.89 0.20 -1.04 -1.26 -4.98 114.28 100.11 1h8i n THR 74 Ca -0.08 -0.64 -0.33 0.00 -2.04 0.00 0.00 64.05 60.95 1h8i n THR 74 Cb 0.30 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 68.49 1h8i n THR 74 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1h8i s ARG 75 N -3.10 4.20 -0.68 -2.82 0.52 -1.26 -5.00 118.95 110.81 1h8i s ARG 75 Ca -0.08 1.03 -0.25 0.00 -0.52 0.00 0.00 55.73 55.91 1h8i s ARG 75 Cb 0.11 -2.27 0.05 0.00 0.52 0.00 0.00 34.95 33.35 1h8i s ARG 75 CO 0.87 0.03 1.10 -0.47 0.02 0.00 0.00 175.30 176.85 1h8i s TYR 76 N -2.10 2.52 -1.35 -0.53 5.04 -1.26 -4.92 117.35 114.75 1h8i s TYR 76 Ca 0.60 -0.25 -0.16 0.00 -2.44 0.00 0.00 57.07 54.81 1h8i s TYR 76 Cb -0.10 -4.42 0.07 0.00 0.35 0.00 0.00 41.96 37.86 1h8i s TYR 76 CO 0.15 -1.80 1.89 0.39 -1.34 0.00 0.00 175.55 174.84 1h8i n GLU 77 N 8.41 3.10 -1.63 4.97 1.02 -1.26 -4.96 120.64 130.29 1h8i n GLU 77 Ca 0.00 -3.09 -0.48 0.00 -0.02 0.00 0.00 57.16 53.57 1h8i n GLU 77 Cb 0.47 -3.40 -0.05 0.00 -0.02 0.00 0.00 31.44 28.44 1h8i n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1h8i n ARG 77 N 7.46 1.72 -0.98 3.49 0.63 -1.26 -1.12 116.66 126.60 1h8i n ARG 77 Ca 0.49 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 1h8i n ARG 77 Cb 0.43 -2.33 0.00 0.00 0.45 0.00 0.00 32.46 31.02 1h8i n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1h8i n ASN 78 N 2.98 -3.01 0.06 6.15 5.03 -1.26 -4.74 115.26 120.46 1h8i n ASN 78 Ca 0.17 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.62 1h8i n ASN 78 Cb 0.25 -1.04 0.00 0.00 -1.02 0.00 0.00 39.78 37.97 1h8i n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1h8i n ILE 79 N -2.65 0.37 -2.20 2.41 5.41 -0.40 -5.07 119.36 117.24 1h8i n ILE 79 Ca 0.00 0.12 -0.32 0.00 1.00 0.00 0.00 62.75 63.56 1h8i n ILE 79 Cb 0.09 -1.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.96 1h8i n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1h8i s GLU 80 N -2.00 3.75 -0.07 0.38 -1.05 -0.27 -4.75 118.70 114.68 1h8i s GLU 80 Ca 0.00 0.94 0.04 0.00 -0.15 0.00 0.00 54.97 55.80 1h8i s GLU 80 Cb 0.00 -2.10 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 1h8i s GLU 80 CO 0.00 -0.44 -0.18 0.15 0.95 0.00 0.00 175.26 175.74 1h8i s LYS 81 N -4.36 2.20 -0.19 -4.83 -0.14 0.10 -4.93 119.74 107.59 1h8i s LYS 81 Ca 0.59 -0.64 -0.04 0.00 -1.36 0.00 0.00 55.97 54.51 1h8i s LYS 81 Cb -0.11 -1.77 -0.02 0.00 -1.68 0.00 0.00 37.83 34.24 1h8i s LYS 81 CO 0.38 0.16 -0.02 0.42 -0.76 0.00 0.00 175.35 175.53 1h8i s ILE 82 N 0.34 3.84 0.06 2.17 1.01 -1.26 -0.67 121.20 126.68 1h8i s ILE 82 Ca -0.12 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.25 1h8i s ILE 82 Cb -0.15 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1h8i s ILE 82 CO 0.05 0.44 -0.22 -0.44 0.00 0.00 0.00 174.94 174.77 1h8i s SER 83 N 0.90 2.64 0.23 3.58 0.01 0.05 -4.97 113.70 116.15 1h8i s SER 83 Ca 0.00 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 1h8i s SER 83 Cb -0.14 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.84 1h8i s SER 83 CO 0.02 0.15 0.45 -0.04 0.41 0.00 0.00 173.24 174.22 1h8i s MET 84 N -1.42 3.57 -0.02 12.44 -1.94 -1.26 -0.88 119.30 129.79 1h8i s MET 84 Ca 0.08 -0.20 -0.17 0.00 -1.71 0.00 0.00 55.69 53.69 1h8i s MET 84 Cb -0.09 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 1h8i s MET 84 CO 0.03 0.34 0.47 -0.51 -0.01 0.00 0.00 175.02 175.34 1h8i s LEU 85 N -3.34 4.42 -0.12 -0.03 1.43 -1.26 -1.14 118.68 118.64 1h8i s LEU 85 Ca 0.41 0.99 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 1h8i s LEU 85 Cb -0.11 -2.69 -0.26 0.00 0.03 0.00 0.00 46.19 43.16 1h8i s LEU 85 CO 0.29 0.21 0.38 -0.08 0.23 0.00 0.00 176.35 177.38 1h8i h GLU 86 N 5.31 0.26 -1.66 1.70 4.81 -0.71 -3.44 114.58 120.85 1h8i h GLU 86 Ca -0.48 -0.44 0.05 0.00 -0.13 0.00 0.00 59.36 58.36 1h8i h GLU 86 Cb 1.21 0.16 -0.25 0.00 0.63 0.00 0.00 28.75 30.50 1h8i h GLU 86 CO 0.66 1.21 0.42 0.21 -0.73 0.00 0.00 179.01 180.78 1h8i s LYS 87 N -2.54 0.57 -0.07 1.92 2.47 -1.13 -5.00 119.74 115.96 1h8i s LYS 87 Ca -0.22 0.61 -0.03 0.00 -1.56 0.00 0.00 55.97 54.76 1h8i s LYS 87 Cb 0.06 0.27 -0.04 0.00 -1.46 0.00 0.00 37.83 36.67 1h8i s LYS 87 CO 0.76 -0.08 0.08 0.42 0.16 0.00 0.00 175.35 176.70 1h8i s ILE 88 N 0.11 4.91 -0.18 5.43 1.01 -1.26 -0.97 121.20 130.25 1h8i s ILE 88 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1h8i s ILE 88 Cb -0.05 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.31 1h8i s ILE 88 CO -0.04 0.51 -0.03 -0.31 0.00 0.00 0.00 174.94 175.06 1h8i s TYR 89 N -1.06 1.62 -0.00 3.97 1.51 0.63 -5.01 117.35 119.01 1h8i s TYR 89 Ca 0.18 -1.09 -0.03 0.00 -1.01 0.00 0.00 57.07 55.12 1h8i s TYR 89 Cb -0.12 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1h8i s TYR 89 CO 0.08 -0.62 0.20 0.42 -1.11 0.00 0.00 175.55 174.51 1h8i s ILE 90 N 1.66 5.42 0.26 2.71 -1.09 -1.26 -0.53 121.20 128.37 1h8i s ILE 90 Ca -0.00 -0.13 -0.31 0.00 -2.23 0.00 0.00 60.65 57.98 1h8i s ILE 90 Cb -0.16 -3.55 -0.13 0.00 -1.58 0.00 0.00 42.46 37.05 1h8i s ILE 90 CO -0.07 0.32 1.47 1.57 -1.23 0.00 0.00 174.94 176.99 1h8i n HIS 91 N 0.93 2.39 0.28 3.97 -0.00 -1.03 -4.83 115.22 116.93 1h8i n HIS 91 Ca -0.11 0.37 0.17 0.00 0.46 0.00 0.00 57.72 58.62 1h8i n HIS 91 Cb 0.53 -2.51 0.65 0.00 -0.12 0.00 0.00 29.99 28.54 1h8i n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1h8i h PRO 92 N 4.40 0.00 -0.38 1.57 0.13 -1.95 -2.26 132.00 133.50 1h8i h PRO 92 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1h8i h PRO 92 Cb 1.26 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 1h8i h PRO 92 CO 0.77 0.00 0.03 0.54 -0.23 0.00 0.00 178.00 179.10 1h8i n ARG 93 N -3.08 2.42 -1.67 0.86 1.74 -1.26 -4.99 116.66 110.67 1h8i n ARG 93 Ca 0.01 -3.03 -0.47 0.00 -0.77 0.00 0.00 57.85 53.59 1h8i n ARG 93 Cb 0.32 -1.88 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 1h8i n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1h8i n TYR 94 N -0.82 2.31 -3.44 -1.55 9.36 -0.85 -4.76 117.16 117.40 1h8i n TYR 94 Ca 0.31 0.14 -0.43 0.00 3.32 0.00 0.00 57.90 61.24 1h8i n TYR 94 Cb 1.04 -2.60 -0.03 0.00 -0.63 0.00 0.00 39.34 37.12 1h8i n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1h8i s ASN 95 N 2.23 6.67 0.40 2.98 3.84 -0.03 -4.82 114.94 126.20 1h8i s ASN 95 Ca 0.84 -3.32 0.25 0.00 0.21 0.00 0.00 52.86 50.85 1h8i s ASN 95 Cb -0.67 -2.11 0.63 0.00 -0.55 0.00 0.00 41.25 38.55 1h8i s ASN 95 CO 0.43 -0.35 1.71 4.11 -2.79 0.00 0.00 177.10 180.22 1h8i h TRP 96 N 6.84 0.00 0.00 0.43 5.08 -1.92 0.18 115.95 126.57 1h8i h TRP 96 Ca 0.14 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.97 1h8i h TRP 96 Cb 0.91 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.05 1h8i h TRP 96 CO 0.82 0.00 -0.66 0.00 -1.28 0.00 0.00 178.44 177.32 1h8i h ARG 97 N 0.00 0.00 0.00 0.12 3.08 -1.99 -3.44 114.38 112.15 1h8i h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h8i h ARG 97 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1h8i h ARG 97 CO 0.00 0.66 0.00 -1.91 -1.07 0.00 0.00 179.97 177.65 1h8i n GLU 97 N -3.65 0.00 -0.16 0.04 2.13 -1.25 -5.01 120.64 112.74 1h8i n GLU 97 Ca -0.01 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.84 1h8i n GLU 97 Cb 0.67 -0.01 0.04 0.00 0.27 0.00 0.00 31.44 32.41 1h8i n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1h8i n ASN 98 N -2.52 1.07 -2.90 4.31 6.94 -1.23 -5.00 115.26 115.94 1h8i n ASN 98 Ca 0.00 -2.05 -0.21 0.00 -0.02 0.00 0.00 54.58 52.30 1h8i n ASN 98 Cb 0.00 -0.17 0.02 0.00 -2.36 0.00 0.00 39.78 37.27 1h8i n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1h8i n LEU 99 N -0.49 -2.25 -4.77 -4.53 4.77 0.64 -4.96 117.00 105.41 1h8i n LEU 99 Ca 0.04 -0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.41 1h8i n LEU 99 Cb 0.54 -2.78 -0.01 0.00 -2.33 0.00 0.00 43.42 38.83 1h8i n LEU 99 CO 0.00 0.10 1.04 -0.62 -1.33 0.00 0.00 177.39 176.58 1h8i s ASP 100 N -2.52 6.60 -1.17 -1.43 2.15 -1.22 -2.68 116.67 116.40 1h8i s ASP 100 Ca 0.23 2.82 -0.01 0.00 0.43 0.00 0.00 52.55 56.03 1h8i s ASP 100 Cb -0.11 -2.66 -0.01 0.00 -0.30 0.00 0.00 42.92 39.85 1h8i s ASP 100 CO 0.28 -0.67 0.98 0.54 -0.17 0.00 0.00 175.17 176.14 1h8i n ARG 101 N 0.65 -6.15 -2.78 4.34 1.74 -1.26 -0.85 116.66 112.34 1h8i n ARG 101 Ca 0.00 0.84 -0.44 0.00 -0.77 0.00 0.00 57.85 57.49 1h8i n ARG 101 Cb 0.41 -5.82 -0.00 0.00 -1.02 0.00 0.00 32.46 26.02 1h8i n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1h8i s ASP 102 N -4.26 6.96 -0.12 0.55 2.15 -1.09 -4.33 116.67 116.53 1h8i s ASP 102 Ca 0.04 -2.73 -0.12 0.00 0.43 0.00 0.00 52.55 50.17 1h8i s ASP 102 Cb -0.01 -2.48 0.03 0.00 -0.30 0.00 0.00 42.92 40.17 1h8i s ASP 102 CO 0.72 -0.94 0.34 -0.51 -0.17 0.00 0.00 175.17 174.61 1h8i s ILE 103 N 2.78 0.01 0.02 4.11 2.07 -1.26 -3.75 121.20 125.18 1h8i s ILE 103 Ca 0.47 -0.05 -0.13 0.00 -1.41 0.00 0.00 60.65 59.53 1h8i s ILE 103 Cb 0.00 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 42.11 1h8i s ILE 103 CO 0.03 -0.03 0.27 0.00 -1.91 0.00 0.00 174.94 173.30 1h8i s ALA 104 N 0.01 -0.62 0.16 1.50 0.00 -0.34 -2.45 121.76 120.03 1h8i s ALA 104 Ca -0.02 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.05 1h8i s ALA 104 Cb -0.03 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1h8i s ALA 104 CO 0.01 -0.35 -0.11 -0.51 0.00 0.00 0.00 175.76 174.80 1h8i s LEU 105 N -1.82 2.92 -0.06 0.00 1.43 0.31 -1.04 118.68 120.42 1h8i s LEU 105 Ca -0.08 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1h8i s LEU 105 Cb -0.03 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1h8i s LEU 105 CO -0.01 0.12 -0.06 -0.04 0.23 0.00 0.00 176.35 176.59 1h8i s MET 106 N -2.65 1.11 -0.14 1.70 -1.94 -0.07 -0.27 119.30 117.04 1h8i s MET 106 Ca 0.23 -0.17 -0.12 0.00 -1.71 0.00 0.00 55.69 53.92 1h8i s MET 106 Cb -0.09 -1.09 -0.05 0.00 2.01 0.00 0.00 34.83 35.61 1h8i s MET 106 CO 0.14 -0.11 0.24 0.21 -0.01 0.00 0.00 175.02 175.50 1h8i s LYS 107 N 1.09 4.04 0.43 2.03 2.20 -0.14 -1.24 119.74 128.16 1h8i s LYS 107 Ca -0.08 0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.44 1h8i s LYS 107 Cb -0.14 -3.35 -0.07 0.00 -1.51 0.00 0.00 37.83 32.76 1h8i s LYS 107 CO -0.01 0.41 0.82 -0.51 -0.36 0.00 0.00 175.35 175.70 1h8i s LEU 108 N -0.03 3.78 0.24 5.43 1.43 0.27 -0.08 118.68 129.72 1h8i s LEU 108 Ca 0.15 1.23 -0.00 0.00 -1.03 0.00 0.00 54.13 54.49 1h8i s LEU 108 Cb -0.13 -4.13 0.27 0.00 0.03 0.00 0.00 46.19 42.24 1h8i s LEU 108 CO 0.04 -0.44 1.63 0.11 0.23 0.00 0.00 176.35 177.91 1h8i h LYS 109 N 1.18 0.52 -4.81 1.70 1.57 -1.42 -3.41 116.57 111.91 1h8i h LYS 109 Ca -0.47 -0.25 -0.29 0.00 -1.87 0.00 0.00 60.65 57.77 1h8i h LYS 109 Cb 1.19 -0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.31 1h8i h LYS 109 CO 0.63 0.82 -0.73 0.15 -0.57 0.00 0.00 179.45 179.75 1h8i s LYS 110 N -4.29 0.75 0.33 3.15 1.02 -1.26 -4.99 119.74 114.45 1h8i s LYS 110 Ca -0.07 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 1h8i s LYS 110 Cb 0.13 -0.41 -0.11 0.00 -0.52 0.00 0.00 37.83 36.92 1h8i s LYS 110 CO 0.81 0.06 1.40 -1.25 -0.92 0.00 0.00 175.35 175.45 1h8i s PRO 111 N -2.60 4.25 -0.01 -1.68 0.04 -1.26 -4.85 135.00 128.88 1h8i s PRO 111 Ca 0.02 2.36 -0.16 0.00 0.04 0.00 0.00 61.00 63.26 1h8i s PRO 111 Cb -0.04 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 1h8i s PRO 111 CO -0.01 -0.36 0.44 0.14 0.04 0.00 0.00 177.00 177.24 1h8i s VAL 112 N -0.85 5.02 0.16 -0.36 -7.23 0.00 -5.02 120.40 112.12 1h8i s VAL 112 Ca 0.53 0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 61.30 1h8i s VAL 112 Cb -0.43 -3.75 -0.07 0.00 0.56 0.00 0.00 36.38 32.69 1h8i s VAL 112 CO 0.54 0.54 0.99 0.00 -0.31 0.00 0.00 175.10 176.86 1h8i s ALA 113 N -0.80 3.30 0.56 1.32 0.00 -1.26 -4.80 121.76 120.07 1h8i s ALA 113 Ca 0.25 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.70 1h8i s ALA 113 Cb -0.17 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 1h8i s ALA 113 CO 0.13 -0.02 1.03 -0.06 0.00 0.00 0.00 175.76 176.84 1h8i s PHE 114 N -0.37 3.18 0.00 0.00 0.08 -1.26 -4.90 117.98 114.71 1h8i s PHE 114 Ca 0.46 1.50 0.00 0.00 0.12 0.00 0.00 56.93 59.01 1h8i s PHE 114 Cb -0.26 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 1h8i s PHE 114 CO 0.32 -0.79 0.00 -1.13 -0.10 0.00 0.00 175.22 173.52 1h8i n SER 115 N -1.80 0.00 0.27 1.36 3.41 -0.60 -4.95 113.62 111.31 1h8i n SER 115 Ca 0.08 -0.65 0.13 0.00 -0.26 0.00 0.00 58.87 58.18 1h8i n SER 115 Cb 0.53 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.24 1h8i n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1h8i h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.98 -2.89 116.42 118.91 1h8i h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h8i h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h8i h ASP 116 CO 0.00 0.10 -0.62 -1.22 -1.72 0.00 0.00 179.24 175.78 1h8i n TYR 117 N -3.59 0.00 -3.83 4.55 4.01 -1.26 -4.75 117.16 112.29 1h8i n TYR 117 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 1h8i n TYR 117 Cb 0.23 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.09 1h8i n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1h8i s ILE 118 N -2.23 0.95 -0.17 -0.72 1.01 -1.09 -4.13 121.20 114.82 1h8i s ILE 118 Ca 0.05 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 1h8i s ILE 118 Cb 0.10 -1.33 0.06 0.00 0.01 0.00 0.00 42.46 41.30 1h8i s ILE 118 CO 0.53 -0.12 0.64 -2.28 0.00 0.00 0.00 174.94 173.70 1h8i s HIS 119 N 1.67 -0.66 0.40 3.97 2.46 -0.57 -1.55 115.29 121.00 1h8i s HIS 119 Ca -0.02 1.47 -0.19 0.00 0.47 0.00 0.00 55.06 56.78 1h8i s HIS 119 Cb -0.17 0.28 -0.10 0.00 -0.13 0.00 0.00 32.58 32.45 1h8i s HIS 119 CO -0.07 -0.42 0.89 -1.25 -2.47 0.00 0.00 174.74 171.42 1h8i s PRO 120 N -0.20 4.17 0.39 2.88 0.04 -1.26 -2.10 135.00 138.91 1h8i s PRO 120 Ca -0.04 0.99 -0.05 0.00 0.04 0.00 0.00 61.00 61.94 1h8i s PRO 120 Cb -0.03 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1h8i s PRO 120 CO 0.04 0.03 0.68 0.54 0.04 0.00 0.00 177.00 178.32 1h8i s VAL 121 N -2.12 4.95 0.44 -0.36 0.11 -0.84 -4.89 120.40 117.68 1h8i s VAL 121 Ca 0.60 0.15 -0.12 0.00 -2.93 0.00 0.00 61.98 59.68 1h8i s VAL 121 Cb -0.09 -3.80 -0.07 0.00 -1.53 0.00 0.00 36.38 30.89 1h8i s VAL 121 CO 0.14 -0.58 0.82 0.00 -3.33 0.00 0.00 175.10 172.16 1h8i s LEU 123 N -3.96 3.80 0.51 0.00 1.43 -1.26 -1.05 118.68 118.15 1h8i s LEU 123 Ca 0.53 0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 1h8i s LEU 123 Cb -0.10 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1h8i s LEU 123 CO 0.32 0.39 1.23 -2.16 0.23 0.00 0.00 176.35 176.36 1h8i s PRO 124 N -0.94 3.44 0.53 1.29 0.04 -1.26 -4.94 135.00 133.16 1h8i s PRO 124 Ca 0.14 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.20 1h8i s PRO 124 Cb -0.12 -2.28 0.06 0.00 0.04 0.00 0.00 34.50 32.21 1h8i s PRO 124 CO 0.03 -0.86 0.72 0.16 0.04 0.00 0.00 177.00 177.09 1h8i s ASP 125 N -1.27 5.25 0.28 6.66 -4.77 -1.26 -4.80 116.67 116.75 1h8i s ASP 125 Ca 0.68 -0.73 0.01 0.00 -3.30 0.00 0.00 52.55 49.21 1h8i s ASP 125 Cb -0.32 0.03 0.54 0.00 -1.09 0.00 0.00 42.92 42.08 1h8i s ASP 125 CO 0.38 -1.17 1.82 -0.09 0.70 0.00 0.00 175.17 176.81 1h8i h ARG 126 N 0.32 0.88 -0.26 2.11 2.43 -1.97 -2.50 114.38 115.38 1h8i h ARG 126 Ca -0.33 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.63 1h8i h ARG 126 Cb 1.29 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1h8i h ARG 126 CO 0.42 0.58 -0.48 1.05 -1.51 0.00 0.00 179.97 180.04 1h8i h GLU 127 N 0.91 0.69 0.00 0.20 9.09 -2.04 -1.51 114.58 121.93 1h8i h GLU 127 Ca 0.49 -0.40 0.00 0.00 0.05 0.00 0.00 59.36 59.50 1h8i h GLU 127 Cb 0.52 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 1h8i h GLU 127 CO -0.28 1.02 0.00 2.41 0.05 0.00 0.00 179.01 182.20 1h8i n THR 128 N -4.01 0.00 0.00 -1.06 -1.04 -0.94 -1.16 114.28 106.07 1h8i n THR 128 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1h8i n THR 128 Cb 0.57 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 1h8i n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1h8i n ALA 129 N -0.02 0.00 0.07 2.41 0.00 -0.57 -1.15 120.51 121.26 1h8i n ALA 129 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1h8i n ALA 129 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1h8i n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h8i h SER 129 N 0.00 0.48 0.20 0.00 4.64 -1.41 -3.38 113.55 114.09 1h8i h SER 129 Ca 0.00 -0.39 -0.30 0.00 -0.47 0.00 0.00 61.79 60.63 1h8i h SER 129 Cb 0.00 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 61.89 1h8i h SER 129 CO 0.00 1.20 -2.08 0.18 -0.87 0.00 0.00 176.83 175.26 1h8i n LEU 129 N -3.72 0.32 -4.22 5.97 4.77 -0.30 -4.69 117.00 115.14 1h8i n LEU 129 Ca -0.06 0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.64 1h8i n LEU 129 Cb 0.84 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 42.27 1h8i n LEU 129 CO 0.51 0.40 1.99 0.18 -1.33 0.00 0.00 177.39 179.13 1h8i n LEU 130 N -2.81 5.77 -4.13 2.23 4.77 -1.26 -4.81 117.00 116.76 1h8i n LEU 130 Ca -0.24 -4.25 -0.19 0.00 -0.03 0.00 0.00 56.01 51.30 1h8i n LEU 130 Cb 1.06 -1.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.37 1h8i n LEU 130 CO 0.44 0.75 -0.46 -1.10 -1.33 0.00 0.00 177.39 175.69 1h8i s GLN 131 N 2.59 0.88 0.33 3.23 -0.21 -1.26 -4.95 119.66 120.27 1h8i s GLN 131 Ca 0.47 -0.76 -0.29 0.00 0.02 0.00 0.00 55.36 54.80 1h8i s GLN 131 Cb 0.06 -0.87 -0.12 0.00 1.00 0.00 0.00 33.01 33.08 1h8i s GLN 131 CO 0.01 0.21 1.49 0.00 -2.12 0.00 0.00 175.29 174.88 1h8i n ALA 132 N 1.84 2.20 0.00 6.09 0.00 -1.26 -1.80 120.51 127.57 1h8i n ALA 132 Ca -0.18 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1h8i n ALA 132 Cb 0.55 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1h8i n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h8i n GLY 133 N 1.20 3.06 3.75 0.00 0.00 -0.31 -4.94 105.19 107.94 1h8i n GLY 133 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1h8i n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h8i s TYR 134 N -1.84 3.41 0.04 1.61 1.51 -0.75 -4.61 117.35 116.71 1h8i s TYR 134 Ca 0.00 1.48 -0.06 0.00 -1.01 0.00 0.00 57.07 57.48 1h8i s TYR 134 Cb 0.00 -3.44 -0.05 0.00 -0.11 0.00 0.00 41.96 38.36 1h8i s TYR 134 CO 0.00 -1.16 0.29 0.15 -1.11 0.00 0.00 175.55 173.71 1h8i s LYS 135 N -0.78 3.58 0.42 -0.62 1.02 -1.26 -0.81 119.74 121.30 1h8i s LYS 135 Ca 0.50 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1h8i s LYS 135 Cb -0.34 -3.03 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1h8i s LYS 135 CO 0.40 0.61 0.01 0.41 -0.92 0.00 0.00 175.35 175.86 1h8i n GLY 136 N 0.87 3.65 3.06 -3.33 0.00 -0.38 -4.84 105.19 104.22 1h8i n GLY 136 Ca -0.09 -2.33 -0.25 0.00 0.00 0.00 0.00 46.02 43.34 1h8i n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h8i s ARG 137 N -3.53 1.74 0.01 1.61 3.52 0.13 -1.08 118.95 121.35 1h8i s ARG 137 Ca 0.01 -0.48 0.07 0.00 -0.13 0.00 0.00 55.73 55.20 1h8i s ARG 137 Cb 0.00 -1.45 -0.03 0.00 -1.56 0.00 0.00 34.95 31.91 1h8i s ARG 137 CO 0.01 0.10 -0.22 0.08 -0.81 0.00 0.00 175.30 174.45 1h8i s VAL 138 N 0.45 2.43 0.01 7.11 1.01 0.47 -0.46 120.40 131.43 1h8i s VAL 138 Ca -0.11 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1h8i s VAL 138 Cb -0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1h8i s VAL 138 CO 0.03 0.47 -0.06 0.42 0.00 0.00 0.00 175.10 175.96 1h8i s THR 139 N -0.76 0.43 0.00 3.92 -4.23 -1.21 -1.51 115.64 112.28 1h8i s THR 139 Ca 0.12 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1h8i s THR 139 Cb -0.10 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.31 1h8i s THR 139 CO 0.02 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1h8i n GLY 140 N 2.41 0.71 1.60 3.99 0.00 -0.80 -4.49 105.19 108.60 1h8i n GLY 140 Ca -0.17 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.05 1h8i n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1h8i n TRP 141 N -0.16 1.84 -1.55 1.61 8.01 -1.26 -1.83 117.44 124.09 1h8i n TRP 141 Ca 0.00 -1.05 -0.30 0.00 -1.31 0.00 0.00 57.50 54.84 1h8i n TRP 141 Cb 0.00 -0.53 0.23 0.00 -2.01 0.00 0.00 31.31 29.00 1h8i n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1h8i n GLY 142 N -0.19 -2.06 3.57 6.99 0.00 -1.26 -4.53 105.19 107.71 1h8i n GLY 142 Ca 0.32 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1h8i n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h8i n ASN 143 N -4.32 0.73 0.20 1.61 3.02 -0.16 -2.83 115.26 113.52 1h8i n ASN 143 Ca 0.16 0.99 0.12 0.00 -0.03 0.00 0.00 54.58 55.83 1h8i n ASN 143 Cb 0.59 -1.30 0.16 0.00 -0.61 0.00 0.00 39.78 38.63 1h8i n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1h8i h LEU 144 N 1.30 0.00 -8.08 3.41 3.38 -1.39 -0.12 115.31 113.82 1h8i h LEU 144 Ca -0.44 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 1h8i h LEU 144 Cb 1.35 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.92 1h8i h LEU 144 CO 0.55 0.00 -0.68 -0.54 0.09 0.00 0.00 178.44 177.86 1h8i s LYS 145 N -3.22 0.45 0.26 1.13 1.02 -1.26 -4.19 119.74 113.93 1h8i s LYS 145 Ca 0.06 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.16 1h8i s LYS 145 Cb 0.06 0.16 0.39 0.00 -0.52 0.00 0.00 37.83 37.92 1h8i s LYS 145 CO 0.68 -0.08 1.87 1.49 -0.92 0.00 0.00 175.35 178.39 1h8i h GLU 146 N 3.99 1.09 -2.63 1.68 4.81 -1.90 -3.43 114.58 118.20 1h8i h GLU 146 Ca -0.33 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 58.74 1h8i h GLU 146 Cb 1.18 -0.25 -0.21 0.00 0.63 0.00 0.00 28.75 30.11 1h8i h GLU 146 CO 0.52 0.72 -0.11 -0.08 -0.73 0.00 0.00 179.01 179.32 1h8i s THR 147 N -6.04 0.03 0.00 0.32 -1.32 -1.26 -4.98 115.64 102.38 1h8i s THR 147 Ca -0.12 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1h8i s THR 147 Cb 0.20 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 1h8i s THR 147 CO 0.81 -0.12 0.00 -2.67 -2.21 0.00 0.00 174.62 170.42 1h8i n TRP 148 N 1.54 0.00 -4.38 9.09 2.14 -1.26 -5.15 117.44 119.42 1h8i n TRP 148 Ca -0.19 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.16 1h8i n TRP 148 Cb 0.56 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.98 1h8i n TRP 148 CO 0.00 0.00 0.00 0.20 2.07 0.00 0.00 177.69 179.96 1h8i s GLY 150 N 0.00 2.42 0.01 -1.67 0.00 -1.26 -5.23 107.32 101.59 1h8i s GLY 150 Ca 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 44.72 43.07 1h8i s GLY 150 CO 0.00 -1.63 -0.07 1.20 0.00 0.00 0.00 173.10 172.60 1h8i s GLN 151 N -3.60 0.52 0.74 2.90 -0.21 -1.26 -1.37 119.66 117.39 1h8i s GLN 151 Ca 0.33 -0.34 -0.10 0.00 0.02 0.00 0.00 55.36 55.27 1h8i s GLN 151 Cb 0.03 -0.46 0.05 0.00 1.00 0.00 0.00 33.01 33.63 1h8i s GLN 151 CO 0.21 0.12 1.10 -1.25 -2.12 0.00 0.00 175.29 173.35 1h8i s PRO 152 N -0.46 2.30 0.05 2.91 0.04 -1.26 -4.93 135.00 133.66 1h8i s PRO 152 Ca 0.00 0.09 -0.07 0.00 0.04 0.00 0.00 61.00 61.06 1h8i s PRO 152 Cb -0.04 -2.04 -0.30 0.00 0.04 0.00 0.00 34.50 32.15 1h8i s PRO 152 CO -0.00 -1.31 1.06 1.03 0.04 0.00 0.00 177.00 177.82 1h8i h SER 153 N -0.79 0.53 -4.25 6.66 0.87 -1.98 -3.42 113.55 111.18 1h8i h SER 153 Ca -0.45 -0.59 -0.29 0.00 -1.23 0.00 0.00 61.79 59.22 1h8i h SER 153 Cb 1.30 -0.17 -0.15 0.00 -0.44 0.00 0.00 62.40 62.94 1h8i h SER 153 CO 0.64 1.47 -0.71 -0.69 -0.53 0.00 0.00 176.83 177.01 1h8i s VAL 154 N -2.64 0.97 0.20 2.23 1.01 -1.26 -0.87 120.40 120.05 1h8i s VAL 154 Ca -0.06 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.66 1h8i s VAL 154 Cb 0.06 -1.72 -0.16 0.00 0.00 0.00 0.00 36.38 34.57 1h8i s VAL 154 CO 0.90 -0.76 0.92 -0.11 0.00 0.00 0.00 175.10 176.05 1h8i n LEU 155 N -0.03 0.70 -4.75 3.92 7.94 0.35 -4.81 117.00 120.32 1h8i n LEU 155 Ca -0.12 1.15 -0.26 0.00 -1.11 0.00 0.00 56.01 55.67 1h8i n LEU 155 Cb 0.60 -1.14 -0.06 0.00 0.53 0.00 0.00 43.42 43.35 1h8i n LEU 155 CO 0.31 -1.86 -0.26 -1.10 -1.11 0.00 0.00 177.39 173.36 1h8i s GLN 156 N -0.90 2.71 0.02 1.96 -1.52 -0.76 -0.19 119.66 120.98 1h8i s GLN 156 Ca 0.67 -0.96 0.02 0.00 -1.95 0.00 0.00 55.36 53.15 1h8i s GLN 156 Cb -0.86 -2.54 -0.02 0.00 -0.22 0.00 0.00 33.01 29.38 1h8i s GLN 156 CO 0.56 0.48 -0.07 0.08 -0.25 0.00 0.00 175.29 176.08 1h8i s VAL 157 N -1.73 0.55 -0.15 1.09 1.01 0.58 -1.90 120.40 119.84 1h8i s VAL 157 Ca 0.30 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1h8i s VAL 157 Cb -0.10 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.78 1h8i s VAL 157 CO 0.21 -0.15 0.39 0.54 0.00 0.00 0.00 175.10 176.10 1h8i s VAL 158 N -0.84 -0.01 -0.16 2.92 0.11 -0.57 -1.35 120.40 120.50 1h8i s VAL 158 Ca -0.04 0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1h8i s VAL 158 Cb -0.07 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1h8i s VAL 158 CO 0.00 0.02 0.16 0.20 -3.33 0.00 0.00 175.10 172.15 1h8i s ASN 159 N 0.68 6.31 -0.02 3.54 0.01 -1.26 -0.39 114.94 123.81 1h8i s ASN 159 Ca -0.04 0.36 -0.02 0.00 -0.71 0.00 0.00 52.86 52.46 1h8i s ASN 159 Cb -0.05 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.51 1h8i s ASN 159 CO -0.05 0.24 0.05 -0.76 -1.51 0.00 0.00 177.10 175.07 1h8i s LEU 160 N -0.09 1.83 0.30 0.60 1.43 -0.24 -4.97 118.68 117.54 1h8i s LEU 160 Ca 0.12 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 53.01 1h8i s LEU 160 Cb -0.12 0.18 -0.10 0.00 0.03 0.00 0.00 46.19 46.18 1h8i s LEU 160 CO 0.01 -0.04 0.95 -2.16 0.23 0.00 0.00 176.35 175.35 1h8i s PRO 161 N -0.06 4.65 0.33 1.29 0.04 -1.26 -1.25 135.00 138.72 1h8i s PRO 161 Ca -0.01 1.39 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 1h8i s PRO 161 Cb -0.01 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.50 1h8i s PRO 161 CO 0.00 0.33 1.23 0.42 0.04 0.00 0.00 177.00 179.02 1h8i s ILE 162 N -1.49 2.98 -0.02 0.56 1.01 0.01 -1.21 121.20 123.04 1h8i s ILE 162 Ca 0.48 0.96 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1h8i s ILE 162 Cb -0.21 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1h8i s ILE 162 CO 0.27 0.21 0.01 -0.69 0.00 0.00 0.00 174.94 174.74 1h8i s VAL 163 N -1.18 4.29 0.40 2.92 1.01 -0.22 -1.16 120.40 126.47 1h8i s VAL 163 Ca 0.49 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1h8i s VAL 163 Cb -0.37 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 1h8i s VAL 163 CO 0.48 0.42 1.07 -0.62 0.00 0.00 0.00 175.10 176.45 1h8i n GLU 164 N 1.51 1.50 -0.23 2.72 4.71 -1.26 -4.65 120.64 124.94 1h8i n GLU 164 Ca -0.15 0.54 -0.04 0.00 -0.01 0.00 0.00 57.16 57.50 1h8i n GLU 164 Cb 0.53 -2.10 0.13 0.00 -1.01 0.00 0.00 31.44 28.99 1h8i n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1h8i h ARG 165 N 1.74 1.06 -0.59 3.49 3.08 -1.98 -1.79 114.38 119.38 1h8i h ARG 165 Ca -0.45 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.41 1h8i h ARG 165 Cb 1.33 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1h8i h ARG 165 CO 0.58 0.85 0.31 -1.35 -1.07 0.00 0.00 179.97 179.30 1h8i h PRO 166 N 1.04 0.82 -0.26 0.04 0.11 -1.99 -0.87 132.00 130.89 1h8i h PRO 166 Ca 0.24 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 1h8i h PRO 166 Cb 0.19 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1h8i h PRO 166 CO -0.02 0.62 -0.30 0.28 -0.21 0.00 0.00 178.00 178.36 1h8i h VAL 167 N 0.83 1.31 -0.14 3.15 2.07 -1.77 -0.19 116.25 121.51 1h8i h VAL 167 Ca 0.21 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1h8i h VAL 167 Cb 0.04 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1h8i h VAL 167 CO -0.03 0.47 -0.17 0.00 0.02 0.00 0.00 177.57 177.86 1h8i h LYS 169 N -0.21 0.87 0.00 0.00 1.57 -0.93 -2.35 116.57 115.51 1h8i h LYS 169 Ca 0.10 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1h8i h LYS 169 Cb 0.36 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1h8i h LYS 169 CO -0.27 0.67 0.00 -0.25 -0.57 0.00 0.00 179.45 179.04 1h8i n ASP 170 N -4.54 0.00 -0.05 0.86 8.00 -0.10 -2.80 116.55 117.92 1h8i n ASP 170 Ca 0.04 0.30 0.12 0.00 0.71 0.00 0.00 54.79 55.97 1h8i n ASP 170 Cb 0.10 -0.40 0.28 0.00 -0.02 0.00 0.00 41.12 41.08 1h8i n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1h8i n SER 171 N -1.40 0.59 -4.02 -2.24 3.41 -0.88 -4.99 113.62 104.08 1h8i n SER 171 Ca 0.05 -0.36 -0.08 0.00 -0.26 0.00 0.00 58.87 58.22 1h8i n SER 171 Cb 0.15 0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 1h8i n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1h8i s THR 172 N -2.90 0.18 -0.87 6.66 -1.32 -1.12 -4.84 115.64 111.44 1h8i s THR 172 Ca 0.14 -1.52 0.23 0.00 -1.21 0.00 0.00 61.69 59.33 1h8i s THR 172 Cb 0.18 -1.27 -0.13 0.00 -1.51 0.00 0.00 72.50 69.77 1h8i s THR 172 CO 0.66 -0.84 1.08 0.54 -2.21 0.00 0.00 174.62 173.86 1h8i n ARG 173 N 0.34 0.09 -2.26 7.08 1.74 -1.26 -4.94 116.66 117.45 1h8i n ARG 173 Ca -0.16 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.52 1h8i n ARG 173 Cb 0.60 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 1h8i n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1h8i s ILE 174 N -3.07 3.06 -0.22 0.55 -1.09 -1.26 -4.96 121.20 114.21 1h8i s ILE 174 Ca 0.07 0.97 -0.29 0.00 -2.23 0.00 0.00 60.65 59.18 1h8i s ILE 174 Cb 0.16 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 1h8i s ILE 174 CO 0.80 0.16 1.56 -0.60 -1.23 0.00 0.00 174.94 175.63 1h8i s ARG 175 N -2.01 3.84 0.08 2.79 3.52 -1.26 -5.01 118.95 120.90 1h8i s ARG 175 Ca 0.53 1.62 -0.20 0.00 -0.13 0.00 0.00 55.73 57.54 1h8i s ARG 175 Cb -0.34 -4.00 -0.07 0.00 -1.56 0.00 0.00 34.95 28.98 1h8i s ARG 175 CO 0.43 -1.23 0.61 0.42 -0.81 0.00 0.00 175.30 174.72 1h8i s ILE 176 N 4.97 4.70 0.52 4.11 -1.09 -1.26 -4.89 121.20 128.26 1h8i s ILE 176 Ca 0.69 1.31 0.01 0.00 -2.23 0.00 0.00 60.65 60.42 1h8i s ILE 176 Cb -0.24 -3.94 -0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1h8i s ILE 176 CO 0.28 0.53 0.04 0.42 -1.23 0.00 0.00 174.94 174.98 1h8i s THR 177 N -1.00 1.18 -1.03 2.92 -4.23 -1.26 -5.01 115.64 107.21 1h8i s THR 177 Ca 0.30 -1.95 0.20 0.00 -1.18 0.00 0.00 61.69 59.06 1h8i s THR 177 Cb -0.20 -2.13 0.17 0.00 1.34 0.00 0.00 72.50 71.69 1h8i s THR 177 CO 0.20 0.00 1.63 0.47 -0.54 0.00 0.00 174.62 176.38 1h8i n ASP 178 N -1.33 0.00 -0.28 3.99 8.00 -1.26 -1.74 116.55 123.93 1h8i n ASP 178 Ca -0.18 0.47 0.12 0.00 0.71 0.00 0.00 54.79 55.91 1h8i n ASP 178 Cb 0.67 -0.49 0.58 0.00 -0.02 0.00 0.00 41.12 41.86 1h8i n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1h8i n ASN 179 N -1.49 0.86 -4.38 -2.24 3.02 -1.26 -4.86 115.26 104.92 1h8i n ASN 179 Ca 0.05 -1.43 -0.21 0.00 -0.03 0.00 0.00 54.58 52.95 1h8i n ASN 179 Cb 0.23 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 1h8i n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1h8i s MET 180 N -1.94 1.42 0.06 3.52 -1.94 -0.71 -0.62 119.30 119.09 1h8i s MET 180 Ca 0.36 -1.58 -0.05 0.00 -1.71 0.00 0.00 55.69 52.71 1h8i s MET 180 Cb 0.18 -1.39 -0.02 0.00 2.01 0.00 0.00 34.83 35.62 1h8i s MET 180 CO 0.29 0.26 0.09 -0.59 -0.01 0.00 0.00 175.02 175.06 1h8i s PHE 181 N -2.52 0.30 0.15 -0.03 -0.12 -0.71 -4.83 117.98 110.22 1h8i s PHE 181 Ca 0.22 -0.74 0.09 0.00 -0.05 0.00 0.00 56.93 56.45 1h8i s PHE 181 Cb -0.04 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 1h8i s PHE 181 CO 0.09 -0.45 -0.20 0.00 -0.05 0.00 0.00 175.22 174.62 1h8i s ALA 183 N -1.79 -0.19 0.00 0.00 0.00 -0.34 -1.05 121.76 118.39 1h8i s ALA 183 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1h8i s ALA 183 Cb -0.07 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1h8i s ALA 183 CO 0.06 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1h8i n GLY 184 N 0.66 3.71 3.85 0.00 0.00 -0.35 -1.66 105.19 111.40 1h8i n GLY 184 Ca -0.19 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 1h8i n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h8i s TYR 184 N -2.05 3.41 0.59 1.61 2.02 -1.26 -4.49 117.35 117.17 1h8i s TYR 184 Ca 0.00 1.22 -0.09 0.00 -0.37 0.00 0.00 57.07 57.83 1h8i s TYR 184 Cb 0.00 -2.55 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 1h8i s TYR 184 CO 0.00 -0.03 0.96 0.15 -1.57 0.00 0.00 175.55 175.06 1h8i s LYS 185 N -3.38 3.38 0.25 -0.62 -0.14 -1.26 -4.80 119.74 113.16 1h8i s LYS 185 Ca 0.54 0.46 -0.05 0.00 -1.36 0.00 0.00 55.97 55.56 1h8i s LYS 185 Cb -0.10 -2.17 0.47 0.00 -1.68 0.00 0.00 37.83 34.35 1h8i s LYS 185 CO 0.23 -0.57 1.67 -1.35 -0.76 0.00 0.00 175.35 174.57 1h8i h PRO 186 N -0.21 0.20 0.00 -1.68 0.11 -1.96 -0.71 132.00 127.76 1h8i h PRO 186 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1h8i h PRO 186 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1h8i h PRO 186 CO 0.62 0.13 0.00 0.38 -0.21 0.00 0.00 178.00 178.92 1h8i h ASP 186 N 0.21 0.00 1.31 -2.05 2.03 -1.97 -3.03 116.42 112.91 1h8i h ASP 186 Ca 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 1h8i h ASP 186 Cb 0.75 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 1h8i h ASP 186 CO -0.57 0.00 0.00 -0.33 -1.03 0.00 0.00 179.24 177.31 1h8i h GLU 186 N 0.00 0.00 -0.87 4.15 5.08 -1.50 -3.47 114.58 117.97 1h8i h GLU 186 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 1h8i h GLU 186 Cb 0.33 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.43 1h8i h GLU 186 CO 0.00 0.00 -0.34 0.41 -1.00 0.00 0.00 179.01 178.08 1h8i n GLY 186 N 0.71 1.79 3.30 -3.84 0.00 -1.15 -4.96 105.19 101.04 1h8i n GLY 186 Ca 0.04 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1h8i n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8i s LYS 186 N -3.55 1.20 0.10 1.61 1.02 -1.26 -5.17 119.74 113.69 1h8i s LYS 186 Ca 0.00 -1.40 0.01 0.00 0.02 0.00 0.00 55.97 54.60 1h8i s LYS 186 Cb 0.00 -1.12 -0.00 0.00 -0.52 0.00 0.00 37.83 36.18 1h8i s LYS 186 CO 0.00 0.21 0.03 0.54 -0.92 0.00 0.00 175.35 175.21 1h8i n ARG 187 N 0.20 0.99 0.00 1.68 1.74 -1.26 -4.69 116.66 115.32 1h8i n ARG 187 Ca -0.13 -0.82 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 1h8i n ARG 187 Cb 0.58 0.41 0.00 0.00 -1.02 0.00 0.00 32.46 32.43 1h8i n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h8i n GLY 188 N 1.92 4.31 3.65 -0.13 0.00 -1.26 -4.92 105.19 108.76 1h8i n GLY 188 Ca -0.02 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.69 1h8i n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h8i s ASP 189 N 0.00 -0.29 0.58 1.61 2.15 -1.10 -4.70 116.67 114.92 1h8i s ASP 189 Ca 0.00 -0.26 -0.09 0.00 0.43 0.00 0.00 52.55 52.63 1h8i s ASP 189 Cb 0.00 0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 43.08 1h8i s ASP 189 CO 0.00 -0.88 0.96 0.00 -0.17 0.00 0.00 175.17 175.08 1h8i s ALA 190 N -3.36 3.18 0.27 3.66 0.00 -1.26 -1.09 121.76 123.16 1h8i s ALA 190 Ca 0.09 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1h8i s ALA 190 Cb -0.02 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 1h8i s ALA 190 CO -0.02 -0.62 0.28 0.00 0.00 0.00 0.00 175.76 175.41 1h8i n GLU 192 N -0.49 0.96 0.00 0.00 1.02 -1.26 -1.31 120.64 119.57 1h8i n GLU 192 Ca 0.04 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1h8i n GLU 192 Cb 0.47 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1h8i n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h8i n GLY 193 N 3.67 1.14 0.09 0.62 0.00 -1.26 -0.99 105.19 108.47 1h8i n GLY 193 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1h8i n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h8i h ASP 194 N 0.00 0.00 -3.16 1.61 3.32 -1.54 -3.27 116.42 113.38 1h8i h ASP 194 Ca 0.00 -0.14 -0.58 0.00 0.02 0.00 0.00 57.03 56.33 1h8i h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1h8i h ASP 194 CO 0.00 0.07 0.26 -1.20 -1.72 0.00 0.00 179.24 176.65 1h8i n SER 195 N -2.32 1.64 0.00 6.45 7.64 -1.26 -1.70 113.62 124.07 1h8i n SER 195 Ca 0.02 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1h8i n SER 195 Cb 0.47 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1h8i n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h8i n GLY 196 N 1.08 3.22 3.76 0.23 0.00 -0.34 -0.33 105.19 112.81 1h8i n GLY 196 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1h8i n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h8i s GLY 197 N -2.28 1.65 0.07 -0.02 0.00 -0.69 -2.74 107.32 103.30 1h8i s GLY 197 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 44.72 43.71 1h8i s GLY 197 CO 0.00 -0.17 0.33 2.56 0.00 0.00 0.00 173.10 175.82 1h8i s PRO 198 N -5.55 3.64 -0.31 2.90 0.04 -1.26 -0.64 135.00 133.81 1h8i s PRO 198 Ca 0.70 -0.03 -0.08 0.00 0.04 0.00 0.00 61.00 61.64 1h8i s PRO 198 Cb -0.09 -2.99 0.01 0.00 0.04 0.00 0.00 34.50 31.48 1h8i s PRO 198 CO 0.54 0.57 0.11 0.12 0.04 0.00 0.00 177.00 178.38 1h8i s PHE 199 N -1.44 3.18 0.24 0.56 2.19 -0.39 -3.36 117.98 118.96 1h8i s PHE 199 Ca 0.33 -1.01 0.11 0.00 0.33 0.00 0.00 56.93 56.70 1h8i s PHE 199 Cb -0.13 -2.29 -0.05 0.00 -1.31 0.00 0.00 43.02 39.24 1h8i s PHE 199 CO 0.20 -0.60 -0.21 0.14 1.83 0.00 0.00 175.22 176.58 1h8i s VAL 200 N 1.50 2.34 0.06 3.12 -7.23 0.40 -0.88 120.40 119.71 1h8i s VAL 200 Ca 0.02 -2.23 0.03 0.00 -1.81 0.00 0.00 61.98 57.99 1h8i s VAL 200 Cb -0.18 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1h8i s VAL 200 CO 0.03 -0.31 -0.09 -0.04 -0.31 0.00 0.00 175.10 174.39 1h8i s MET 201 N -3.17 0.65 -0.30 4.82 -1.94 -0.14 0.20 119.30 119.41 1h8i s MET 201 Ca 0.25 -0.92 -0.08 0.00 -1.71 0.00 0.00 55.69 53.24 1h8i s MET 201 Cb -0.06 -0.37 0.01 0.00 2.01 0.00 0.00 34.83 36.42 1h8i s MET 201 CO 0.12 0.06 0.10 0.21 -0.01 0.00 0.00 175.02 175.50 1h8i s LYS 202 N -2.11 3.10 0.23 2.03 2.20 -1.26 -0.48 119.74 123.45 1h8i s LYS 202 Ca -0.04 -0.86 -0.31 0.00 -0.36 0.00 0.00 55.97 54.41 1h8i s LYS 202 Cb -0.07 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.72 1h8i s LYS 202 CO -0.00 -0.46 1.54 0.45 -0.36 0.00 0.00 175.35 176.51 1h8i s SER 203 N 1.52 6.55 0.00 1.43 0.15 -0.04 -4.87 113.70 118.45 1h8i s SER 203 Ca 0.03 2.73 0.29 0.00 0.70 0.00 0.00 55.95 59.69 1h8i s SER 203 Cb -0.17 -2.61 1.35 0.00 -1.71 0.00 0.00 66.02 62.87 1h8i s SER 203 CO 0.03 -0.81 1.96 -0.81 1.20 0.00 0.00 173.24 174.82 1h8i n PRO 204 N 2.97 0.22 0.04 5.44 -0.04 -1.26 -1.12 135.00 141.25 1h8i n PRO 204 Ca 0.10 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1h8i n PRO 204 Cb 0.39 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 1h8i n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1h8i h PHE 204 N 0.00 0.54 0.00 0.54 0.04 -1.97 -3.41 116.94 112.68 1h8i h PHE 204 Ca 0.00 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1h8i h PHE 204 Cb 0.38 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1h8i h PHE 204 CO 0.00 1.54 0.00 0.27 -0.60 0.00 0.00 178.31 179.52 1h8i n ASN 204 N -3.88 1.15 -1.61 2.17 2.04 -1.24 -5.01 115.26 108.89 1h8i n ASN 204 Ca -0.23 -1.31 -0.17 0.00 -0.44 0.00 0.00 54.58 52.43 1h8i n ASN 204 Cb 0.94 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 38.14 1h8i n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1h8i n ASN 205 N -0.15 -5.11 -4.79 0.53 5.15 -0.27 -4.99 115.26 105.63 1h8i n ASN 205 Ca 0.00 0.25 -0.28 0.00 -0.60 0.00 0.00 54.58 53.94 1h8i n ASN 205 Cb 0.13 -4.16 -0.06 0.00 -0.53 0.00 0.00 39.78 35.16 1h8i n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1h8i s ARG 206 N -4.05 2.90 -0.02 1.20 0.52 -1.25 -4.85 118.95 113.39 1h8i s ARG 206 Ca 0.00 -0.77 -0.21 0.00 -0.52 0.00 0.00 55.73 54.23 1h8i s ARG 206 Cb 0.00 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.73 1h8i s ARG 206 CO 0.00 0.53 0.60 -1.58 0.02 0.00 0.00 175.30 174.87 1h8i s TRP 207 N -1.55 3.65 -0.01 -0.53 0.52 -1.26 -0.86 118.94 118.90 1h8i s TRP 207 Ca 0.30 1.18 0.07 0.00 0.02 0.00 0.00 56.10 57.68 1h8i s TRP 207 Cb -0.11 -2.63 -0.02 0.00 -1.15 0.00 0.00 33.47 29.55 1h8i s TRP 207 CO 0.23 0.30 -0.24 0.71 0.02 0.00 0.00 176.95 177.97 1h8i s TYR 208 N 0.02 2.40 -0.53 -1.98 2.02 0.36 -2.05 117.35 117.59 1h8i s TYR 208 Ca 0.32 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.42 1h8i s TYR 208 Cb -0.18 -1.51 0.05 0.00 -0.40 0.00 0.00 41.96 39.93 1h8i s TYR 208 CO 0.17 0.04 0.78 -1.14 -1.57 0.00 0.00 175.55 173.83 1h8i s GLN 209 N -0.76 3.21 -0.04 -0.62 0.74 -0.21 -0.97 119.66 121.02 1h8i s GLN 209 Ca 0.11 -0.61 0.14 0.00 0.05 0.00 0.00 55.36 55.05 1h8i s GLN 209 Cb -0.10 -4.09 -0.21 0.00 1.10 0.00 0.00 33.01 29.71 1h8i s GLN 209 CO -0.00 -1.37 0.62 -1.33 -0.55 0.00 0.00 175.29 172.66 1h8i n MET 210 N 6.81 0.64 -4.25 1.67 2.81 -0.06 -4.39 117.12 120.36 1h8i n MET 210 Ca -0.03 0.24 -0.14 0.00 -1.81 0.00 0.00 57.70 55.96 1h8i n MET 210 Cb 0.46 -1.76 -0.10 0.00 -0.71 0.00 0.00 33.22 31.11 1h8i n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1h8i s GLY 211 N -5.08 1.50 -0.07 3.03 0.00 -0.62 -1.83 107.32 104.24 1h8i s GLY 211 Ca -0.05 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 42.96 1h8i s GLY 211 CO 0.82 -1.49 -0.17 -0.42 0.00 0.00 0.00 173.10 171.85 1h8i s ILE 212 N -3.94 1.47 -0.15 0.90 1.01 -0.77 -1.26 121.20 118.47 1h8i s ILE 212 Ca 0.36 -0.69 -0.33 0.00 0.00 0.00 0.00 60.65 59.99 1h8i s ILE 212 Cb 0.07 -1.30 -0.11 0.00 0.01 0.00 0.00 42.46 41.13 1h8i s ILE 212 CO 0.11 0.43 1.99 0.52 0.00 0.00 0.00 174.94 177.98 1h8i n VAL 213 N 3.62 0.49 0.01 2.92 0.31 0.19 -0.62 118.33 125.25 1h8i n VAL 213 Ca -0.21 -0.18 -0.02 0.00 -0.01 0.00 0.00 64.34 63.92 1h8i n VAL 213 Cb 0.52 -1.95 -0.01 0.00 -0.91 0.00 0.00 33.84 31.50 1h8i n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1h8i n SER 214 N 7.92 0.96 -3.90 4.52 2.88 -0.67 -1.20 113.62 124.13 1h8i n SER 214 Ca 0.27 0.14 -0.09 0.00 -1.33 0.00 0.00 58.87 57.85 1h8i n SER 214 Cb 0.31 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.37 1h8i n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1h8i s TRP 215 N -1.89 0.15 -0.15 0.66 1.48 -0.85 -4.95 118.94 113.39 1h8i s TRP 215 Ca -0.05 -0.52 -0.31 0.00 -1.06 0.00 0.00 56.10 54.16 1h8i s TRP 215 Cb 0.01 0.29 0.13 0.00 -1.16 0.00 0.00 33.47 32.74 1h8i s TRP 215 CO 0.08 -0.97 1.07 0.20 -4.06 0.00 0.00 176.95 173.26 1h8i s GLY 216 N -2.96 -0.26 -0.96 3.67 0.00 -1.26 -0.30 107.32 105.25 1h8i s GLY 216 Ca 0.16 1.87 -0.16 0.00 0.00 0.00 0.00 44.72 46.59 1h8i s GLY 216 CO 0.04 0.82 1.09 1.85 0.00 0.00 0.00 173.10 176.90 1h8i s GLU 217 N -1.72 3.72 1.60 2.90 2.12 -1.26 -4.87 118.70 121.18 1h8i s GLU 217 Ca 0.03 -2.17 0.00 0.00 0.36 0.00 0.00 54.97 53.20 1h8i s GLU 217 Cb -0.01 -4.80 0.00 0.00 0.26 0.00 0.00 34.13 29.58 1h8i s GLU 217 CO -0.03 -1.62 0.00 0.41 -0.54 0.00 0.00 175.26 173.48 1h8i n GLY 219 N 4.71 -1.64 2.81 -1.50 0.00 -1.26 -4.70 105.19 103.61 1h8i n GLY 219 Ca 0.24 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1h8i n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h8i n ASP 221 N 5.05 -5.81 -4.77 0.00 2.03 -1.26 -4.59 116.55 107.20 1h8i n ASP 221 Ca -0.09 -0.36 -0.39 0.00 0.52 0.00 0.00 54.79 54.46 1h8i n ASP 221 Cb 0.50 -4.54 -0.06 0.00 -0.72 0.00 0.00 41.12 36.30 1h8i n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1h8i s ARG 221 N -5.86 4.61 0.24 -0.67 0.52 -1.26 -4.92 118.95 111.60 1h8i s ARG 221 Ca 0.39 1.20 -0.31 0.00 -0.52 0.00 0.00 55.73 56.49 1h8i s ARG 221 Cb -0.17 -3.27 -0.12 0.00 0.52 0.00 0.00 34.95 31.91 1h8i s ARG 221 CO 0.48 0.56 1.64 -0.25 0.02 0.00 0.00 175.30 177.75 1h8i n ASP 222 N 1.62 3.78 0.00 0.23 8.00 -1.26 -1.95 116.55 126.97 1h8i n ASP 222 Ca -0.05 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.55 1h8i n ASP 222 Cb 0.48 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 1h8i n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h8i n GLY 223 N 3.09 0.79 3.74 0.44 0.00 -1.26 -5.02 105.19 106.97 1h8i n GLY 223 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1h8i n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8i s LYS 224 N -0.04 2.31 0.03 1.61 -0.14 -0.82 -4.78 119.74 117.92 1h8i s LYS 224 Ca 0.00 -1.68 -0.03 0.00 -1.36 0.00 0.00 55.97 52.90 1h8i s LYS 224 Cb 0.00 -2.10 -0.02 0.00 -1.68 0.00 0.00 37.83 34.03 1h8i s LYS 224 CO 0.00 -0.01 0.04 0.71 -0.76 0.00 0.00 175.35 175.33 1h8i s TYR 225 N -2.51 0.28 0.37 3.18 1.51 -1.26 -4.72 117.35 114.20 1h8i s TYR 225 Ca 0.40 -0.62 -0.16 0.00 -1.01 0.00 0.00 57.07 55.67 1h8i s TYR 225 Cb 0.00 -0.21 -0.09 0.00 -0.11 0.00 0.00 41.96 41.55 1h8i s TYR 225 CO 0.23 -0.32 0.81 0.20 -1.11 0.00 0.00 175.55 175.36 1h8i s GLY 226 N -2.10 2.30 -0.02 0.71 0.00 -0.67 -4.50 107.32 103.04 1h8i s GLY 226 Ca -0.06 0.13 0.06 0.00 0.00 0.00 0.00 44.72 44.85 1h8i s GLY 226 CO -0.05 0.36 -0.18 -1.36 0.00 0.00 0.00 173.10 171.87 1h8i s PHE 227 N -2.11 2.58 0.02 1.90 0.40 0.58 -1.20 117.98 120.15 1h8i s PHE 227 Ca 0.56 -0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.70 1h8i s PHE 227 Cb -0.10 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 1h8i s PHE 227 CO 0.18 0.15 -0.16 0.71 0.70 0.00 0.00 175.22 176.81 1h8i s TYR 228 N -0.76 1.40 0.30 0.36 1.51 0.12 -1.68 117.35 118.61 1h8i s TYR 228 Ca 0.12 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.57 1h8i s TYR 228 Cb -0.10 -0.86 -0.10 0.00 -0.11 0.00 0.00 41.96 40.79 1h8i s TYR 228 CO 0.01 0.03 1.30 0.99 -1.11 0.00 0.00 175.55 176.77 1h8i s THR 229 N -0.65 2.85 -0.67 -0.71 2.01 0.21 -1.74 115.64 116.94 1h8i s THR 229 Ca 0.04 0.81 -0.23 0.00 0.31 0.00 0.00 61.69 62.62 1h8i s THR 229 Cb -0.07 -3.52 0.06 0.00 0.01 0.00 0.00 72.50 68.98 1h8i s THR 229 CO 0.01 0.18 1.01 -2.28 -0.69 0.00 0.00 174.62 172.84 1h8i s HIS 230 N -0.81 2.62 0.14 4.92 2.46 0.21 -1.84 115.29 122.99 1h8i s HIS 230 Ca 0.51 -0.46 -0.17 0.00 0.47 0.00 0.00 55.06 55.41 1h8i s HIS 230 Cb -0.39 -4.33 -0.00 0.00 -0.13 0.00 0.00 32.58 27.73 1h8i s HIS 230 CO 0.48 -1.70 1.76 0.28 -2.47 0.00 0.00 174.74 173.09 1h8i h VAL 231 N 5.98 1.14 -0.75 0.89 2.07 -1.66 -2.78 116.25 121.14 1h8i h VAL 231 Ca -0.29 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1h8i h VAL 231 Cb 1.07 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1h8i h VAL 231 CO 1.19 0.14 0.50 0.15 0.02 0.00 0.00 177.57 179.57 1h8i h PHE 232 N 0.48 0.94 0.00 1.57 3.57 -1.86 -1.03 116.94 120.61 1h8i h PHE 232 Ca 0.13 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1h8i h PHE 232 Cb 0.03 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 1h8i h PHE 232 CO -0.03 0.59 -0.09 0.00 -2.23 0.00 0.00 178.31 176.55 1h8i h ARG 233 N 1.01 0.00 -0.58 1.11 3.08 -1.86 -1.73 114.38 115.41 1h8i h ARG 233 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1h8i h ARG 233 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1h8i h ARG 233 CO -0.06 0.09 0.00 1.28 -1.07 0.00 0.00 179.97 180.21 1h8i n LEU 234 N -3.74 3.59 -0.17 3.04 4.77 -0.45 -4.65 117.00 119.39 1h8i n LEU 234 Ca -0.02 -2.03 -0.03 0.00 -0.03 0.00 0.00 56.01 53.89 1h8i n LEU 234 Cb 0.19 -0.39 0.16 0.00 -2.33 0.00 0.00 43.42 41.05 1h8i n LEU 234 CO 0.30 0.88 1.00 0.50 -1.33 0.00 0.00 177.39 178.74 1h8i h LYS 235 N 3.37 0.92 -0.74 3.23 3.64 -0.69 -2.04 116.57 124.27 1h8i h LYS 235 Ca 0.00 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1h8i h LYS 235 Cb 0.91 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 1h8i h LYS 235 CO 0.01 0.80 0.41 0.87 -2.27 0.00 0.00 179.45 179.27 1h8i h LYS 236 N 0.90 0.70 -0.59 1.90 6.56 -1.83 -0.22 116.57 123.98 1h8i h LYS 236 Ca 0.20 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1h8i h LYS 236 Cb 0.26 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.74 1h8i h LYS 236 CO -0.01 0.46 0.37 2.35 -2.06 0.00 0.00 179.45 180.56 1h8i h TRP 237 N 0.72 0.77 -0.05 -1.35 7.01 -1.78 -1.42 115.95 119.85 1h8i h TRP 237 Ca 0.34 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.37 1h8i h TRP 237 Cb 0.27 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.05 1h8i h TRP 237 CO -0.08 0.52 -0.12 0.82 -2.79 0.00 0.00 178.44 176.80 1h8i h ILE 238 N 0.80 0.70 -0.46 2.65 2.04 -0.63 -2.00 117.51 120.61 1h8i h ILE 238 Ca 0.21 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.15 1h8i h ILE 238 Cb -0.04 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 1h8i h ILE 238 CO -0.04 0.00 0.06 1.56 0.00 0.00 0.00 178.15 179.73 1h8i h GLN 239 N -0.17 0.17 -0.54 2.37 4.20 -0.99 -0.99 115.11 119.17 1h8i h GLN 239 Ca 0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1h8i h GLN 239 Cb 0.25 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1h8i h GLN 239 CO -0.15 0.12 0.31 -0.22 -0.67 0.00 0.00 178.83 178.22 1h8i h LYS 240 N 0.18 0.73 -0.04 1.46 3.64 -1.01 0.20 116.57 121.74 1h8i h LYS 240 Ca 0.23 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.33 1h8i h LYS 240 Cb 0.31 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1h8i h LYS 240 CO -0.33 0.54 -0.83 -0.39 -2.27 0.00 0.00 179.45 176.17 1h8i h VAL 241 N 0.72 1.40 -0.28 2.00 -1.51 -1.08 -1.88 116.25 115.61 1h8i h VAL 241 Ca 0.19 -2.31 -0.18 0.00 -1.23 0.00 0.00 66.70 63.17 1h8i h VAL 241 Cb 0.00 2.27 -0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1h8i h VAL 241 CO -0.03 0.69 -0.53 0.40 -1.23 0.00 0.00 177.57 176.86 1h8i h ILE 242 N 0.24 1.28 0.00 7.19 2.04 -0.92 -0.31 117.51 127.03 1h8i h ILE 242 Ca -0.05 -1.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 1h8i h ILE 242 Cb 1.44 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1h8i h ILE 242 CO 0.14 0.56 -0.12 -2.24 0.00 0.00 0.00 178.15 176.49 1h8i h ASP 243 N 0.65 0.00 0.51 1.72 3.04 -0.60 0.31 116.42 122.05 1h8i h ASP 243 Ca 0.02 0.00 -0.26 0.00 -3.24 0.00 0.00 57.03 53.55 1h8i h ASP 243 Cb 1.13 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.43 1h8i h ASP 243 CO 0.12 0.12 -1.14 -0.61 -2.04 0.00 0.00 179.24 175.69 1h8i h GLN 244 N 0.00 0.33 0.00 4.15 4.15 -1.23 -3.40 115.11 119.11 1h8i h GLN 244 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1h8i h GLN 244 Cb 0.98 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1h8i h GLN 244 CO 0.02 1.19 -0.06 1.19 -1.93 0.00 0.00 178.83 179.23 1h8i n PHE 245 N -3.62 0.00 -3.08 3.99 3.01 -0.14 -5.10 117.46 112.53 1h8i n PHE 245 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1h8i n PHE 245 Cb 0.96 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.43 1h8i n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h8i n GLY 246 N 0.96 7.15 0.00 1.37 0.00 0.11 -5.04 105.19 109.74 1h8i n GLY 246 Ca 0.00 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.14 1h8i n GLY 246 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50