#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypj s VAL 17 N 0.00 3.98 -1.28 1.39 1.01 -0.28 -4.01 120.40 121.20 1ypj s VAL 17 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1ypj s VAL 17 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1ypj s VAL 17 CO 0.00 0.47 0.27 -0.62 0.00 0.00 0.00 175.10 175.23 1ypj n GLU 18 N 3.74 -2.75 -0.01 2.72 -0.58 -1.26 -2.28 120.64 120.22 1ypj n GLU 18 Ca -0.17 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1ypj n GLU 18 Cb 0.52 -5.16 0.00 0.00 -0.57 0.00 0.00 31.44 26.23 1ypj n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ypj n GLY 19 N -1.21 1.51 3.12 0.62 0.00 -1.26 -4.55 105.19 103.42 1ypj n GLY 19 Ca -0.13 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 1ypj n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ypj s SER 20 N -1.00 0.30 0.19 1.61 0.01 -0.25 -4.96 113.70 109.61 1ypj s SER 20 Ca 0.00 -0.77 -0.32 0.00 1.31 0.00 0.00 55.95 56.17 1ypj s SER 20 Cb 0.00 0.24 -0.11 0.00 0.21 0.00 0.00 66.02 66.36 1ypj s SER 20 CO 0.00 -0.60 1.67 -1.81 0.41 0.00 0.00 173.24 172.91 1ypj s ASP 21 N -2.64 6.46 0.71 2.44 1.11 -1.26 -1.51 116.67 121.98 1ypj s ASP 21 Ca 0.02 2.77 -0.13 0.00 0.18 0.00 0.00 52.55 55.39 1ypj s ASP 21 Cb 0.04 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.46 1ypj s ASP 21 CO -0.09 -0.92 1.11 0.00 1.18 0.00 0.00 175.17 176.46 1ypj s ALA 22 N 1.24 2.34 0.52 5.23 0.00 0.13 -4.82 121.76 126.41 1ypj s ALA 22 Ca 0.73 0.46 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 1ypj s ALA 22 Cb -0.47 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.27 1ypj s ALA 22 CO 0.32 -1.53 0.95 -1.21 0.00 0.00 0.00 175.76 174.29 1ypj s GLU 23 N -4.40 3.82 0.17 0.00 2.02 -1.26 -4.92 118.70 114.14 1ypj s GLU 23 Ca 0.65 0.79 -0.33 0.00 0.02 0.00 0.00 54.97 56.10 1ypj s GLU 23 Cb -0.20 -2.18 -0.13 0.00 0.10 0.00 0.00 34.13 31.72 1ypj s GLU 23 CO 0.47 -0.30 1.61 -0.89 0.02 0.00 0.00 175.26 176.18 1ypj n ILE 24 N -1.83 0.00 -1.03 -1.63 2.08 -1.26 -2.01 119.36 113.67 1ypj n ILE 24 Ca 0.05 -0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.35 1ypj n ILE 24 Cb 0.54 -1.64 -0.01 0.00 -0.75 0.00 0.00 39.64 37.79 1ypj n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ypj n GLY 25 N 3.54 0.43 0.22 7.39 0.00 -1.26 -4.89 105.19 110.62 1ypj n GLY 25 Ca 0.17 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1ypj n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ypj h MET 26 N 0.55 0.00 -1.52 1.61 -1.53 -1.79 -3.35 114.93 108.91 1ypj h MET 26 Ca -0.02 0.00 -0.45 0.00 -3.44 0.00 0.00 59.70 55.79 1ypj h MET 26 Cb 0.36 0.00 -0.34 0.00 -0.55 0.00 0.00 31.60 31.07 1ypj h MET 26 CO 0.04 0.26 -0.99 0.45 0.14 0.00 0.00 176.91 176.80 1ypj n SER 27 N -3.53 -0.20 0.00 1.39 2.88 -1.26 -4.98 113.62 107.92 1ypj n SER 27 Ca -0.00 -3.04 0.09 0.00 -1.33 0.00 0.00 58.87 54.58 1ypj n SER 27 Cb 0.42 -0.02 0.44 0.00 -0.75 0.00 0.00 64.21 64.30 1ypj n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ypj n PRO 28 N 0.79 0.24 0.00 -1.46 -0.04 -1.26 -0.73 135.00 132.55 1ypj n PRO 28 Ca 0.19 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 1ypj n PRO 28 Cb 0.62 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.79 1ypj n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ypj n TRP 29 N -1.29 0.00 -2.02 0.54 2.14 -1.03 -1.36 117.44 114.42 1ypj n TRP 29 Ca 0.08 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.24 1ypj n TRP 29 Cb 0.14 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.61 1ypj n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ypj s GLN 30 N -2.12 4.27 0.03 -2.67 2.00 0.09 -0.94 119.66 120.32 1ypj s GLN 30 Ca 0.29 2.29 0.08 0.00 -2.00 0.00 0.00 55.36 56.01 1ypj s GLN 30 Cb 0.20 -3.12 -0.02 0.00 0.80 0.00 0.00 33.01 30.87 1ypj s GLN 30 CO 0.37 -0.42 -0.23 0.08 -0.50 0.00 0.00 175.29 174.60 1ypj s VAL 31 N 0.05 1.83 -0.23 1.34 1.01 -0.41 -4.16 120.40 119.84 1ypj s VAL 31 Ca 0.60 -1.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1ypj s VAL 31 Cb -0.42 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1ypj s VAL 31 CO 0.42 0.34 0.09 -0.32 0.00 0.00 0.00 175.10 175.64 1ypj s MET 32 N -1.00 3.85 -0.24 2.72 1.75 0.12 -1.92 119.30 124.57 1ypj s MET 32 Ca 0.09 -0.39 -0.21 0.00 -1.25 0.00 0.00 55.69 53.93 1ypj s MET 32 Cb -0.09 -3.36 -0.02 0.00 2.84 0.00 0.00 34.83 34.21 1ypj s MET 32 CO 0.01 -0.00 0.68 -0.51 -0.65 0.00 0.00 175.02 174.55 1ypj s LEU 33 N 1.15 4.08 -0.13 4.11 1.43 0.35 -0.48 118.68 129.18 1ypj s LEU 33 Ca 0.05 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1ypj s LEU 33 Cb -0.14 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.15 1ypj s LEU 33 CO 0.04 -0.39 -0.16 0.12 0.23 0.00 0.00 176.35 176.19 1ypj s PHE 34 N 2.48 2.19 0.11 0.29 5.36 -0.29 0.12 117.98 128.26 1ypj s PHE 34 Ca 0.29 -1.13 -0.30 0.00 -0.96 0.00 0.00 56.93 54.83 1ypj s PHE 34 Cb -0.16 -1.57 -0.06 0.00 -0.34 0.00 0.00 43.02 40.89 1ypj s PHE 34 CO 0.09 -0.58 1.14 0.50 -1.46 0.00 0.00 175.22 174.91 1ypj s ARG 35 N 1.14 4.51 0.04 10.12 3.52 0.27 -0.86 118.95 137.68 1ypj s ARG 35 Ca -0.02 1.74 -0.22 0.00 -0.13 0.00 0.00 55.73 57.10 1ypj s ARG 35 Cb -0.14 -3.32 -0.14 0.00 -1.56 0.00 0.00 34.95 29.79 1ypj s ARG 35 CO -0.05 -0.10 1.40 0.87 -0.81 0.00 0.00 175.30 176.61 1ypj h LYS 36 N 5.98 0.25 -1.43 5.12 1.57 -1.83 -2.69 116.57 123.54 1ypj h LYS 36 Ca -0.43 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 1ypj h LYS 36 Cb 1.21 -0.01 -0.25 0.00 0.08 0.00 0.00 32.23 33.26 1ypj h LYS 36 CO 0.77 0.58 -0.38 -1.12 -0.57 0.00 0.00 179.45 178.72 1ypj s SER 36 N -5.88 -0.60 0.35 0.86 0.01 -1.26 -3.42 113.70 103.76 1ypj s SER 36 Ca -0.14 0.48 -0.26 0.00 1.31 0.00 0.00 55.95 57.34 1ypj s SER 36 Cb 0.05 1.65 -0.09 0.00 0.21 0.00 0.00 66.02 67.83 1ypj s SER 36 CO 0.72 -0.29 1.02 -2.16 0.41 0.00 0.00 173.24 172.95 1ypj s PRO 37 N 2.70 4.39 -0.53 12.44 0.04 -1.26 -5.07 135.00 147.71 1ypj s PRO 37 Ca 0.16 1.50 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 1ypj s PRO 37 Cb -0.15 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 1ypj s PRO 37 CO -0.20 0.06 1.87 -0.65 0.04 0.00 0.00 177.00 178.12 1ypj s GLN 38 N -2.16 2.79 0.20 4.56 -0.21 -1.22 -4.67 119.66 118.95 1ypj s GLN 38 Ca 0.53 0.87 -0.11 0.00 0.02 0.00 0.00 55.36 56.66 1ypj s GLN 38 Cb -0.23 -4.34 -0.00 0.00 1.00 0.00 0.00 33.01 29.44 1ypj s GLN 38 CO 0.29 -2.52 0.39 -1.83 -2.12 0.00 0.00 175.29 169.49 1ypj s GLU 39 N 6.73 1.34 0.05 2.91 -1.05 -1.02 -4.97 118.70 122.69 1ypj s GLU 39 Ca 0.72 -1.18 -0.31 0.00 -0.15 0.00 0.00 54.97 54.05 1ypj s GLU 39 Cb -0.15 0.43 -0.06 0.00 -0.44 0.00 0.00 34.13 33.91 1ypj s GLU 39 CO 0.24 -0.53 1.25 -1.17 0.95 0.00 0.00 175.26 176.00 1ypj s LEU 40 N -2.98 4.35 -0.17 1.83 2.96 -1.26 -0.56 118.68 122.84 1ypj s LEU 40 Ca 0.19 2.05 -0.03 0.00 -0.22 0.00 0.00 54.13 56.12 1ypj s LEU 40 Cb 0.01 -3.58 -0.23 0.00 0.50 0.00 0.00 46.19 42.90 1ypj s LEU 40 CO 0.04 -0.54 0.13 0.18 -1.32 0.00 0.00 176.35 174.84 1ypj n LEU 41 N 4.22 2.77 0.00 -0.68 4.77 0.33 -4.84 117.00 123.57 1ypj n LEU 41 Ca 0.10 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ypj n LEU 41 Cb 0.45 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1ypj n LEU 41 CO 0.56 0.89 0.00 0.00 -1.33 0.00 0.00 177.39 177.51 1ypj s GLY 43 N 0.00 1.80 0.19 0.00 0.00 0.77 -0.50 107.32 109.57 1ypj s GLY 43 Ca 0.00 -1.39 -0.20 0.00 0.00 0.00 0.00 44.72 43.13 1ypj s GLY 43 CO 0.00 -1.02 0.95 0.00 0.00 0.00 0.00 173.10 173.03 1ypj n ALA 44 N -2.52 -2.45 -2.93 3.20 0.00 -0.81 -3.28 120.51 111.72 1ypj n ALA 44 Ca 0.10 -0.97 -0.14 0.00 0.00 0.00 0.00 53.44 52.43 1ypj n ALA 44 Cb 0.60 0.56 -0.14 0.00 0.00 0.00 0.00 19.45 20.47 1ypj n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ypj s SER 45 N -3.25 0.22 -0.28 0.00 1.04 -0.27 -1.29 113.70 109.86 1ypj s SER 45 Ca 0.21 -0.03 -0.24 0.00 0.48 0.00 0.00 55.95 56.37 1ypj s SER 45 Cb -0.03 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.05 1ypj s SER 45 CO 0.06 0.01 0.81 -0.22 0.98 0.00 0.00 173.24 174.87 1ypj s LEU 46 N 0.07 4.08 0.00 2.42 2.96 -0.12 -0.50 118.68 127.59 1ypj s LEU 46 Ca -0.00 0.80 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 1ypj s LEU 46 Cb -0.02 -3.12 0.01 0.00 0.50 0.00 0.00 46.19 43.56 1ypj s LEU 46 CO -0.00 -0.58 0.58 2.30 -1.32 0.00 0.00 176.35 177.32 1ypj n ILE 47 N 5.44 0.00 -3.78 6.68 -5.35 -0.69 -1.48 119.36 120.18 1ypj n ILE 47 Ca 0.04 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1ypj n ILE 47 Cb 0.48 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1ypj n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ypj n SER 48 N -0.18 -0.32 0.00 7.28 3.41 -1.20 -4.74 113.62 117.87 1ypj n SER 48 Ca 0.03 -1.10 0.12 0.00 -0.26 0.00 0.00 58.87 57.66 1ypj n SER 48 Cb 0.16 0.50 0.59 0.00 -0.26 0.00 0.00 64.21 65.21 1ypj n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ypj n ASP 49 N -0.48 0.00 0.00 4.04 3.85 -1.26 -3.62 116.55 119.08 1ypj n ASP 49 Ca 0.01 0.11 0.00 0.00 -0.71 0.00 0.00 54.79 54.20 1ypj n ASP 49 Cb 0.14 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.55 1ypj n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ypj n ARG 50 N -1.35 0.28 -4.79 0.11 1.74 -1.26 -0.78 116.66 110.61 1ypj n ARG 50 Ca 0.10 -0.52 -0.26 0.00 -0.77 0.00 0.00 57.85 56.40 1ypj n ARG 50 Cb 0.22 -0.56 -0.16 0.00 -1.02 0.00 0.00 32.46 30.94 1ypj n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ypj s TRP 51 N -0.10 1.71 -0.05 -1.55 0.52 -1.24 -0.51 118.94 117.72 1ypj s TRP 51 Ca 0.00 -0.57 0.06 0.00 0.02 0.00 0.00 56.10 55.61 1ypj s TRP 51 Cb 0.00 -1.18 -0.02 0.00 -1.15 0.00 0.00 33.47 31.12 1ypj s TRP 51 CO 0.00 -0.24 -0.23 0.08 0.02 0.00 0.00 176.95 176.58 1ypj s VAL 52 N 0.30 2.27 -0.11 4.03 1.01 0.16 -1.71 120.40 126.35 1ypj s VAL 52 Ca -0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 1ypj s VAL 52 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1ypj s VAL 52 CO 0.04 0.57 -0.01 -0.22 0.00 0.00 0.00 175.10 175.48 1ypj s LEU 53 N -0.37 3.48 0.00 3.92 2.96 0.35 -1.07 118.68 127.95 1ypj s LEU 53 Ca 0.03 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1ypj s LEU 53 Cb -0.12 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.77 1ypj s LEU 53 CO 0.02 0.30 0.48 1.07 -1.32 0.00 0.00 176.35 176.89 1ypj n THR 54 N 2.69 0.00 -3.15 3.68 5.66 0.16 -1.11 114.28 122.20 1ypj n THR 54 Ca -0.18 -1.44 -0.39 0.00 -3.05 0.00 0.00 64.05 58.99 1ypj n THR 54 Cb 0.53 0.95 -0.06 0.00 -1.55 0.00 0.00 70.33 70.20 1ypj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ypj s ALA 55 N -2.51 3.52 0.29 1.79 0.00 -1.26 -0.65 121.76 122.95 1ypj s ALA 55 Ca 0.23 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.40 1ypj s ALA 55 Cb -0.01 -2.78 0.62 0.00 0.00 0.00 0.00 23.12 20.95 1ypj s ALA 55 CO 0.17 0.33 1.82 0.00 0.00 0.00 0.00 175.76 178.08 1ypj h ALA 56 N 4.58 1.59 0.00 0.00 0.00 -1.70 -1.87 119.26 121.86 1ypj h ALA 56 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ypj h ALA 56 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ypj h ALA 56 CO 0.65 0.13 0.00 1.12 0.00 0.00 0.00 179.25 181.15 1ypj h HIS 57 N 0.91 0.00 0.00 0.00 2.07 -1.90 -0.29 115.15 115.94 1ypj h HIS 57 Ca 0.52 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 58.02 1ypj h HIS 57 Cb 0.61 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.59 1ypj h HIS 57 CO -0.00 0.00 -0.08 0.00 -3.07 0.00 0.00 177.93 174.78 1ypj n LEU 59 N -3.73 0.00 -3.60 0.00 4.77 -0.27 -4.88 117.00 109.29 1ypj n LEU 59 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 1ypj n LEU 59 Cb 0.19 0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.13 1ypj n LEU 59 CO 0.29 0.01 -0.24 -0.22 -1.33 0.00 0.00 177.39 175.90 1ypj s LEU 60 N -3.35 -0.02 0.16 2.23 2.96 -0.34 -0.36 118.68 119.96 1ypj s LEU 60 Ca -0.00 -0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 53.73 1ypj s LEU 60 Cb 0.00 0.23 0.03 0.00 0.50 0.00 0.00 46.19 46.95 1ypj s LEU 60 CO 0.03 -0.29 0.46 -0.47 -1.32 0.00 0.00 176.35 174.77 1ypj s TYR 60 N 2.28 -0.18 0.00 5.38 5.04 0.73 -4.14 117.35 126.47 1ypj s TYR 60 Ca 0.04 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 1ypj s TYR 60 Cb -0.14 0.33 0.00 0.00 0.35 0.00 0.00 41.96 42.50 1ypj s TYR 60 CO -0.08 -0.80 0.00 -2.30 -1.34 0.00 0.00 175.55 171.02 1ypj n PRO 60 N -0.29 0.00 -0.21 4.97 -0.02 -1.26 -1.67 135.00 136.53 1ypj n PRO 60 Ca -0.13 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.40 1ypj n PRO 60 Cb 0.63 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.27 1ypj n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ypj n TRP 60 N 0.00 0.50 -3.88 6.00 7.02 -1.26 -4.98 117.44 120.84 1ypj n TRP 60 Ca 0.00 -0.57 -0.24 0.00 -1.02 0.00 0.00 57.50 55.67 1ypj n TRP 60 Cb 0.00 -0.08 -0.01 0.00 -2.42 0.00 0.00 31.31 28.80 1ypj n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1ypj n ASP 60 N 0.23 -0.59 -4.61 -0.99 8.00 -1.12 -4.98 116.55 112.49 1ypj n ASP 60 Ca 0.12 -0.95 -0.38 0.00 0.71 0.00 0.00 54.79 54.29 1ypj n ASP 60 Cb 0.50 -3.35 -0.10 0.00 -0.02 0.00 0.00 41.12 38.15 1ypj n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ypj s LYS 60 N -6.39 4.01 -0.43 -1.24 2.20 -0.67 -4.99 119.74 112.23 1ypj s LYS 60 Ca 0.01 -0.16 0.07 0.00 -0.36 0.00 0.00 55.97 55.54 1ypj s LYS 60 Cb -0.01 -3.63 0.26 0.00 -1.51 0.00 0.00 37.83 32.95 1ypj s LYS 60 CO 0.87 -0.15 0.73 -1.71 -0.36 0.00 0.00 175.35 174.72 1ypj n ASN 60 N 4.95 -1.21 -4.77 1.43 2.85 -1.25 -0.19 115.26 117.08 1ypj n ASN 60 Ca -0.12 -3.04 -0.41 0.00 -0.11 0.00 0.00 54.58 50.90 1ypj n ASN 60 Cb 0.52 0.56 -0.03 0.00 1.24 0.00 0.00 39.78 42.07 1ypj n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ypj s PHE 60 N -0.42 3.19 0.45 1.20 0.08 0.51 -4.99 117.98 118.01 1ypj s PHE 60 Ca 0.33 1.48 0.04 0.00 0.12 0.00 0.00 56.93 58.90 1ypj s PHE 60 Cb 0.22 -3.58 0.01 0.00 -0.57 0.00 0.00 43.02 39.10 1ypj s PHE 60 CO -0.16 -1.53 0.64 0.95 -0.10 0.00 0.00 175.22 175.02 1ypj s THR 60 N -1.10 3.36 0.27 0.64 -4.23 -1.26 -4.92 115.64 108.39 1ypj s THR 60 Ca 0.48 -0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 1ypj s THR 60 Cb -0.38 -3.20 0.26 0.00 1.34 0.00 0.00 72.50 70.52 1ypj s THR 60 CO 0.49 -0.11 1.82 -0.33 -0.54 0.00 0.00 174.62 175.95 1ypj h GLU 61 N 0.45 0.89 -0.00 3.99 3.07 -1.94 -1.00 114.58 120.04 1ypj h GLU 61 Ca -0.43 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1ypj h GLU 61 Cb 1.27 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1ypj h GLU 61 CO 0.52 0.59 -0.00 0.09 -1.40 0.00 0.00 179.01 178.81 1ypj n ASN 62 N -4.67 0.01 -0.03 1.42 4.13 -1.26 -3.35 115.26 111.50 1ypj n ASN 62 Ca 0.17 -0.74 0.13 0.00 1.68 0.00 0.00 54.58 55.83 1ypj n ASN 62 Cb 0.34 -0.09 0.46 0.00 -1.54 0.00 0.00 39.78 38.95 1ypj n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1ypj n ASP 63 N -1.08 0.34 -3.51 6.41 8.00 -0.38 -4.95 116.55 121.38 1ypj n ASP 63 Ca 0.21 -0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 1ypj n ASP 63 Cb 0.15 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 1ypj n ASP 63 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ypj s LEU 64 N -2.87 0.69 0.12 0.64 2.34 -1.21 -2.78 118.68 115.60 1ypj s LEU 64 Ca 0.16 -1.26 0.04 0.00 0.06 0.00 0.00 54.13 53.13 1ypj s LEU 64 Cb 0.19 1.65 -0.04 0.00 -0.56 0.00 0.00 46.19 47.43 1ypj s LEU 64 CO 0.59 -1.26 -0.11 -0.76 -1.06 0.00 0.00 176.35 173.74 1ypj s LEU 65 N -3.14 2.45 -0.10 1.48 1.43 -0.04 -4.55 118.68 116.20 1ypj s LEU 65 Ca 0.27 -0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1ypj s LEU 65 Cb -0.01 -0.37 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 1ypj s LEU 65 CO 0.15 -0.26 0.02 0.68 0.23 0.00 0.00 176.35 177.18 1ypj s VAL 66 N -2.67 4.50 -0.16 -1.59 -7.23 -0.72 -1.13 120.40 111.39 1ypj s VAL 66 Ca 0.10 -0.17 0.02 0.00 -1.81 0.00 0.00 61.98 60.11 1ypj s VAL 66 Cb -0.01 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 34.03 1ypj s VAL 66 CO 0.01 0.59 -0.21 -0.13 -0.31 0.00 0.00 175.10 175.05 1ypj s ARG 67 N -0.77 3.00 0.02 4.82 0.52 0.37 -1.38 118.95 125.53 1ypj s ARG 67 Ca 0.12 -0.84 0.08 0.00 -0.52 0.00 0.00 55.73 54.57 1ypj s ARG 67 Cb -0.12 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 1ypj s ARG 67 CO 0.02 -0.14 -0.23 0.42 0.02 0.00 0.00 175.30 175.40 1ypj s ILE 68 N 1.11 2.35 0.00 1.52 1.01 -0.64 0.10 121.20 126.64 1ypj s ILE 68 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.45 1ypj s ILE 68 Cb -0.14 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1ypj s ILE 68 CO -0.09 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1ypj n GLY 69 N 1.97 0.70 3.91 6.18 0.00 -1.26 -0.35 105.19 116.34 1ypj n GLY 69 Ca -0.17 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 1ypj n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypj s LYS 70 N -0.69 3.55 0.03 1.61 1.02 -1.26 -4.23 119.74 119.77 1ypj s LYS 70 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.06 1ypj s LYS 70 Cb 0.00 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 1ypj s LYS 70 CO 0.00 -0.08 0.00 1.58 -0.92 0.00 0.00 175.35 175.93 1ypj n HIS 71 N -2.00 -0.23 -2.44 3.18 -0.00 -1.26 -4.93 115.22 107.54 1ypj n HIS 71 Ca -0.01 0.04 -0.41 0.00 -0.00 0.00 0.00 57.72 57.34 1ypj n HIS 71 Cb 0.55 0.28 -0.04 0.00 -0.00 0.00 0.00 29.99 30.78 1ypj n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ypj s SER 72 N -5.08 7.18 -0.02 0.26 0.15 -1.26 0.21 113.70 115.14 1ypj s SER 72 Ca 0.00 2.20 -0.22 0.00 0.70 0.00 0.00 55.95 58.63 1ypj s SER 72 Cb 0.00 -2.61 -0.14 0.00 -1.71 0.00 0.00 66.02 61.56 1ypj s SER 72 CO 0.00 -0.28 0.98 -0.09 1.20 0.00 0.00 173.24 175.05 1ypj h ARG 73 N 4.90 -0.45 0.00 5.44 2.43 -1.37 -3.39 114.38 121.95 1ypj h ARG 73 Ca -0.45 0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.53 1ypj h ARG 73 Cb 1.21 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 1ypj h ARG 73 CO 0.72 -0.13 -1.63 0.25 -1.51 0.00 0.00 179.97 177.67 1ypj n THR 74 N -5.12 1.30 -2.14 0.20 -2.24 -1.26 -4.95 114.28 100.08 1ypj n THR 74 Ca -0.09 -0.74 -0.39 0.00 -2.27 0.00 0.00 64.05 60.57 1ypj n THR 74 Cb 0.27 -0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 67.71 1ypj n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1ypj s ARG 75 N -2.80 3.89 -0.44 -0.78 3.52 -1.26 -4.98 118.95 116.10 1ypj s ARG 75 Ca -0.04 2.00 -0.29 0.00 -0.13 0.00 0.00 55.73 57.27 1ypj s ARG 75 Cb 0.08 -2.63 0.02 0.00 -1.56 0.00 0.00 34.95 30.87 1ypj s ARG 75 CO 0.82 -0.51 1.19 -0.47 -0.81 0.00 0.00 175.30 175.52 1ypj s TYR 76 N -1.36 2.77 -1.22 5.12 5.04 -1.26 -4.88 117.35 121.56 1ypj s TYR 76 Ca 0.59 0.76 -0.13 0.00 -2.44 0.00 0.00 57.07 55.86 1ypj s TYR 76 Cb -0.34 -4.32 0.18 0.00 0.35 0.00 0.00 41.96 37.83 1ypj s TYR 76 CO 0.43 -1.36 1.50 0.39 -1.34 0.00 0.00 175.55 175.17 1ypj n GLU 77 N 7.76 3.43 -1.61 4.97 1.02 -1.26 -4.96 120.64 130.00 1ypj n GLU 77 Ca 0.13 -3.84 -0.50 0.00 -0.02 0.00 0.00 57.16 52.93 1ypj n GLU 77 Cb 0.49 -2.99 -0.05 0.00 -0.02 0.00 0.00 31.44 28.86 1ypj n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ypj n ARG 77 N 5.14 1.36 -0.95 3.49 0.63 -1.26 -0.58 116.66 124.48 1ypj n ARG 77 Ca 0.37 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 1ypj n ARG 77 Cb 0.41 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 31.19 1ypj n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ypj n ASN 78 N 2.60 -3.36 0.08 6.15 4.13 -1.26 -4.74 115.26 118.86 1ypj n ASN 78 Ca 0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.43 1ypj n ASN 78 Cb 0.22 -1.63 0.00 0.00 -1.54 0.00 0.00 39.78 36.83 1ypj n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1ypj n ILE 79 N -2.45 0.70 -2.02 2.41 5.41 0.25 -5.07 119.36 118.60 1ypj n ILE 79 Ca 0.00 0.23 -0.33 0.00 1.00 0.00 0.00 62.75 63.65 1ypj n ILE 79 Cb 0.17 -1.12 0.02 0.00 -0.71 0.00 0.00 39.64 37.99 1ypj n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ypj s GLU 80 N -1.93 3.18 -0.01 0.38 -1.05 -0.27 -4.76 118.70 114.24 1ypj s GLU 80 Ca 0.00 1.34 0.06 0.00 -0.15 0.00 0.00 54.97 56.22 1ypj s GLU 80 Cb 0.00 -2.01 -0.02 0.00 -0.44 0.00 0.00 34.13 31.67 1ypj s GLU 80 CO 0.00 -0.94 -0.19 0.15 0.95 0.00 0.00 175.26 175.23 1ypj s LYS 81 N -3.90 1.50 -0.16 -4.83 -0.14 0.53 -4.90 119.74 107.83 1ypj s LYS 81 Ca 0.66 -0.70 0.01 0.00 -1.36 0.00 0.00 55.97 54.58 1ypj s LYS 81 Cb -0.19 -1.46 0.01 0.00 -1.68 0.00 0.00 37.83 34.50 1ypj s LYS 81 CO 0.36 0.40 -0.17 0.42 -0.76 0.00 0.00 175.35 175.59 1ypj s ILE 82 N -0.48 2.41 0.11 2.17 1.01 -1.26 -1.62 121.20 123.53 1ypj s ILE 82 Ca 0.07 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.97 1ypj s ILE 82 Cb -0.07 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1ypj s ILE 82 CO -0.00 0.52 -0.20 -0.44 0.00 0.00 0.00 174.94 174.81 1ypj s SER 83 N 0.99 3.72 0.25 3.58 0.01 -0.48 -4.98 113.70 116.80 1ypj s SER 83 Ca -0.02 -0.59 -0.04 0.00 1.31 0.00 0.00 55.95 56.61 1ypj s SER 83 Cb -0.15 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.57 1ypj s SER 83 CO -0.04 0.19 0.49 -0.04 0.41 0.00 0.00 173.24 174.24 1ypj s MET 84 N -2.03 3.60 -0.10 12.44 -1.94 -1.26 -1.75 119.30 128.24 1ypj s MET 84 Ca 0.16 -0.12 -0.22 0.00 -1.71 0.00 0.00 55.69 53.81 1ypj s MET 84 Cb -0.10 -2.73 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 1ypj s MET 84 CO 0.08 0.30 0.66 -0.51 -0.01 0.00 0.00 175.02 175.54 1ypj s LEU 85 N -3.40 4.27 -0.06 -0.03 1.02 -1.26 -1.56 118.68 117.67 1ypj s LEU 85 Ca 0.42 1.06 -0.17 0.00 0.02 0.00 0.00 54.13 55.46 1ypj s LEU 85 Cb -0.11 -2.99 -0.30 0.00 0.02 0.00 0.00 46.19 42.80 1ypj s LEU 85 CO 0.29 -0.14 0.75 -0.08 0.02 0.00 0.00 176.35 177.19 1ypj h GLU 86 N 6.91 0.34 -1.77 1.70 4.81 -0.02 -3.44 114.58 123.11 1ypj h GLU 86 Ca -0.39 -0.58 0.02 0.00 -0.13 0.00 0.00 59.36 58.29 1ypj h GLU 86 Cb 1.18 0.21 -0.24 0.00 0.63 0.00 0.00 28.75 30.54 1ypj h GLU 86 CO 0.76 1.28 0.31 0.21 -0.73 0.00 0.00 179.01 180.84 1ypj s LYS 87 N -2.50 0.63 -0.12 1.92 2.47 -1.07 -4.99 119.74 116.08 1ypj s LYS 87 Ca -0.16 0.78 -0.10 0.00 -1.56 0.00 0.00 55.97 54.94 1ypj s LYS 87 Cb 0.03 0.29 -0.05 0.00 -1.46 0.00 0.00 37.83 36.65 1ypj s LYS 87 CO 0.83 -0.08 0.21 0.42 0.16 0.00 0.00 175.35 176.89 1ypj s ILE 88 N 0.41 5.38 -0.16 5.43 1.01 -1.26 -1.22 121.20 130.79 1ypj s ILE 88 Ca 0.01 0.36 -0.00 0.00 0.00 0.00 0.00 60.65 61.02 1ypj s ILE 88 Cb -0.05 -3.50 0.04 0.00 0.01 0.00 0.00 42.46 38.96 1ypj s ILE 88 CO -0.05 0.54 -0.06 -0.31 0.00 0.00 0.00 174.94 175.06 1ypj s TYR 89 N -0.52 1.75 -0.12 3.97 1.51 0.10 -5.01 117.35 119.04 1ypj s TYR 89 Ca 0.15 -1.09 -0.06 0.00 -1.01 0.00 0.00 57.07 55.06 1ypj s TYR 89 Cb -0.13 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1ypj s TYR 89 CO 0.04 -0.62 0.09 0.42 -1.11 0.00 0.00 175.55 174.38 1ypj s ILE 90 N 1.62 5.10 -0.09 2.71 1.01 -1.26 -0.69 121.20 129.60 1ypj s ILE 90 Ca 0.01 0.05 -0.35 0.00 0.00 0.00 0.00 60.65 60.37 1ypj s ILE 90 Cb -0.15 -3.21 -0.13 0.00 0.01 0.00 0.00 42.46 38.98 1ypj s ILE 90 CO -0.08 0.60 1.82 1.57 0.00 0.00 0.00 174.94 178.84 1ypj n HIS 91 N 2.20 2.26 0.29 3.97 -0.00 -1.02 -4.83 115.22 118.10 1ypj n HIS 91 Ca -0.19 0.12 0.17 0.00 0.46 0.00 0.00 57.72 58.28 1ypj n HIS 91 Cb 0.54 -2.61 0.91 0.00 -0.12 0.00 0.00 29.99 28.70 1ypj n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ypj h PRO 92 N 8.45 0.00 -0.65 1.57 0.13 -1.94 -0.92 132.00 138.63 1ypj h PRO 92 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ypj h PRO 92 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ypj h PRO 92 CO 0.94 0.05 0.00 0.54 -0.23 0.00 0.00 178.00 179.30 1ypj n ARG 93 N -3.42 3.26 -1.68 0.86 1.74 -1.26 -4.97 116.66 111.18 1ypj n ARG 93 Ca -0.02 -2.55 -0.44 0.00 -0.77 0.00 0.00 57.85 54.07 1ypj n ARG 93 Cb 0.17 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 1ypj n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ypj n TYR 94 N 1.12 2.53 -3.38 -1.55 9.36 -0.35 -4.72 117.16 120.17 1ypj n TYR 94 Ca 0.23 -0.11 -0.44 0.00 3.32 0.00 0.00 57.90 60.91 1ypj n TYR 94 Cb 0.76 -2.71 -0.01 0.00 -0.63 0.00 0.00 39.34 36.75 1ypj n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ypj s ASN 95 N 2.92 7.11 0.19 2.98 3.84 0.49 -4.81 114.94 127.66 1ypj s ASN 95 Ca 0.84 -3.56 0.25 0.00 0.21 0.00 0.00 52.86 50.60 1ypj s ASN 95 Cb -0.53 -2.17 0.90 0.00 -0.55 0.00 0.00 41.25 38.90 1ypj s ASN 95 CO 0.40 -0.29 1.76 -2.67 -2.79 0.00 0.00 177.10 173.51 1ypj n TRP 96 N 2.73 0.73 0.01 0.43 4.27 -1.26 -0.11 117.44 124.24 1ypj n TRP 96 Ca 0.23 0.24 -0.18 0.00 -3.89 0.00 0.00 57.50 53.90 1ypj n TRP 96 Cb 0.39 -0.88 -0.12 0.00 -1.36 0.00 0.00 31.31 29.34 1ypj n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ypj h ARG 97 N 0.00 0.36 0.00 -2.67 3.08 -1.99 -3.43 114.38 109.73 1ypj h ARG 97 Ca 0.00 -0.43 -0.24 0.00 0.07 0.00 0.00 59.98 59.38 1ypj h ARG 97 Cb 0.57 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 1ypj h ARG 97 CO 0.00 1.12 -1.76 -1.91 -1.07 0.00 0.00 179.97 176.35 1ypj n GLU 97 N -4.22 0.52 -0.17 0.04 2.13 -1.23 -4.96 120.64 112.74 1ypj n GLU 97 Ca -0.11 0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1ypj n GLU 97 Cb 0.69 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 31.02 1ypj n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ypj n ASN 98 N -4.25 0.00 -2.02 4.31 0.23 -1.14 -4.88 115.26 107.51 1ypj n ASN 98 Ca -0.34 -1.11 -0.17 0.00 -0.53 0.00 0.00 54.58 52.43 1ypj n ASN 98 Cb 0.69 -0.02 -0.01 0.00 -2.08 0.00 0.00 39.78 38.36 1ypj n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ypj n LEU 99 N 0.00 -1.85 -4.76 -4.53 4.77 0.85 -4.97 117.00 106.51 1ypj n LEU 99 Ca 0.00 -0.03 -0.39 0.00 -0.03 0.00 0.00 56.01 55.55 1ypj n LEU 99 Cb 0.52 -2.53 0.02 0.00 -2.33 0.00 0.00 43.42 39.10 1ypj n LEU 99 CO 0.00 -0.15 1.03 -0.62 -1.33 0.00 0.00 177.39 176.32 1ypj s ASP 100 N -2.26 5.83 -1.29 -1.43 2.15 -1.20 -2.69 116.67 115.77 1ypj s ASP 100 Ca 0.02 2.82 -0.01 0.00 0.43 0.00 0.00 52.55 55.81 1ypj s ASP 100 Cb -0.01 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1ypj s ASP 100 CO 0.03 -1.20 0.82 0.54 -0.17 0.00 0.00 175.17 175.19 1ypj n ARG 101 N -0.32 -5.57 -2.32 4.34 1.74 -1.26 -0.38 116.66 112.89 1ypj n ARG 101 Ca 0.06 0.70 -0.39 0.00 -0.77 0.00 0.00 57.85 57.44 1ypj n ARG 101 Cb 0.43 -5.43 -0.02 0.00 -1.02 0.00 0.00 32.46 26.42 1ypj n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ypj n ASP 102 N -3.07 4.30 -3.75 0.55 2.03 -1.10 -4.28 116.55 111.24 1ypj n ASP 102 Ca -0.27 -2.85 -0.13 0.00 0.52 0.00 0.00 54.79 52.06 1ypj n ASP 102 Cb 0.66 -1.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.25 1ypj n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ypj s ILE 103 N 5.80 0.01 0.01 5.18 2.07 -1.26 -3.85 121.20 129.16 1ypj s ILE 103 Ca 0.57 -0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.62 1ypj s ILE 103 Cb 0.04 -0.54 0.01 0.00 0.13 0.00 0.00 42.46 42.11 1ypj s ILE 103 CO 0.08 -0.04 0.23 0.00 -1.91 0.00 0.00 174.94 173.30 1ypj s ALA 104 N -0.07 -0.54 0.11 1.50 0.00 0.18 -2.42 121.76 120.53 1ypj s ALA 104 Ca -0.02 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1ypj s ALA 104 Cb -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1ypj s ALA 104 CO 0.01 -0.28 -0.03 -0.51 0.00 0.00 0.00 175.76 174.96 1ypj s LEU 105 N -1.57 3.31 -0.07 0.00 1.43 0.14 -0.67 118.68 121.25 1ypj s LEU 105 Ca -0.11 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1ypj s LEU 105 Cb -0.05 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1ypj s LEU 105 CO 0.01 0.16 -0.05 -0.04 0.23 0.00 0.00 176.35 176.66 1ypj s MET 106 N -2.42 1.06 -0.10 1.70 -1.94 -0.23 -0.72 119.30 116.65 1ypj s MET 106 Ca 0.25 -0.13 -0.17 0.00 -1.71 0.00 0.00 55.69 53.93 1ypj s MET 106 Cb -0.11 -1.13 -0.04 0.00 2.01 0.00 0.00 34.83 35.55 1ypj s MET 106 CO 0.17 -0.17 0.45 0.21 -0.01 0.00 0.00 175.02 175.67 1ypj s LYS 107 N 1.34 4.28 0.34 2.03 2.20 -0.35 -0.67 119.74 128.90 1ypj s LYS 107 Ca -0.04 0.40 -0.14 0.00 -0.36 0.00 0.00 55.97 55.84 1ypj s LYS 107 Cb -0.14 -3.40 -0.08 0.00 -1.51 0.00 0.00 37.83 32.70 1ypj s LYS 107 CO -0.03 0.24 0.74 -0.51 -0.36 0.00 0.00 175.35 175.44 1ypj s LEU 108 N 0.35 4.00 0.20 5.43 1.43 0.33 0.65 118.68 131.07 1ypj s LEU 108 Ca 0.24 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 1ypj s LEU 108 Cb -0.15 -4.05 0.15 0.00 0.03 0.00 0.00 46.19 42.16 1ypj s LEU 108 CO 0.10 -0.26 1.87 0.11 0.23 0.00 0.00 176.35 178.40 1ypj h LYS 109 N 1.98 0.91 -5.01 1.70 1.57 -1.57 -3.41 116.57 112.74 1ypj h LYS 109 Ca -0.48 -0.05 -0.36 0.00 -1.87 0.00 0.00 60.65 57.89 1ypj h LYS 109 Cb 1.18 -0.20 -0.22 0.00 0.08 0.00 0.00 32.23 33.07 1ypj h LYS 109 CO 0.65 0.60 -0.76 0.15 -0.57 0.00 0.00 179.45 179.52 1ypj s LYS 110 N -6.14 0.70 0.43 3.15 1.02 -1.26 -5.00 119.74 112.64 1ypj s LYS 110 Ca -0.13 -0.85 -0.25 0.00 0.02 0.00 0.00 55.97 54.76 1ypj s LYS 110 Cb 0.15 -0.61 -0.08 0.00 -0.52 0.00 0.00 37.83 36.77 1ypj s LYS 110 CO 0.77 0.13 1.30 -1.25 -0.92 0.00 0.00 175.35 175.38 1ypj s PRO 111 N -1.61 3.84 0.06 -1.68 0.04 -1.26 -4.83 135.00 129.57 1ypj s PRO 111 Ca -0.05 2.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.93 1ypj s PRO 111 Cb -0.10 -2.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.72 1ypj s PRO 111 CO 0.01 -0.59 0.60 0.54 0.04 0.00 0.00 177.00 177.61 1ypj s VAL 112 N -1.29 4.74 0.06 -0.36 0.11 0.04 -5.01 120.40 118.69 1ypj s VAL 112 Ca 0.59 1.29 -0.27 0.00 -2.93 0.00 0.00 61.98 60.66 1ypj s VAL 112 Cb -0.38 -3.94 -0.05 0.00 -1.53 0.00 0.00 36.38 30.48 1ypj s VAL 112 CO 0.48 0.51 0.85 0.00 -3.33 0.00 0.00 175.10 173.61 1ypj s ALA 113 N -0.86 3.31 0.66 1.54 0.00 -1.26 -4.82 121.76 120.33 1ypj s ALA 113 Ca 0.30 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 1ypj s ALA 113 Cb -0.20 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 1ypj s ALA 113 CO 0.19 0.01 1.10 -0.06 0.00 0.00 0.00 175.76 177.00 1ypj s PHE 114 N 0.06 2.72 0.08 0.00 0.08 -1.26 -4.87 117.98 114.78 1ypj s PHE 114 Ca 0.43 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 58.99 1ypj s PHE 114 Cb -0.22 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.13 1ypj s PHE 114 CO 0.26 -1.56 0.14 -1.13 -0.10 0.00 0.00 175.22 172.83 1ypj n SER 115 N -2.45 -0.40 0.26 1.36 3.41 -0.37 -4.93 113.62 110.50 1ypj n SER 115 Ca 0.10 -1.36 0.14 0.00 -0.26 0.00 0.00 58.87 57.48 1ypj n SER 115 Cb 0.52 0.70 0.82 0.00 -0.26 0.00 0.00 64.21 65.99 1ypj n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ypj h ASP 116 N 0.42 0.00 0.00 4.04 3.32 -1.98 -2.90 116.42 119.32 1ypj h ASP 116 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1ypj h ASP 116 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1ypj h ASP 116 CO 0.08 0.00 -0.92 -1.22 -1.72 0.00 0.00 179.24 175.46 1ypj n TYR 117 N -4.05 0.00 -3.93 4.55 4.01 -1.26 -4.79 117.16 111.69 1ypj n TYR 117 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 1ypj n TYR 117 Cb 0.14 -0.07 -0.17 0.00 -0.31 0.00 0.00 39.34 38.93 1ypj n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ypj s ILE 118 N -2.58 1.19 -0.28 -0.72 1.01 -1.09 -4.13 121.20 114.60 1ypj s ILE 118 Ca 0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 1ypj s ILE 118 Cb 0.11 -1.25 0.11 0.00 0.01 0.00 0.00 42.46 41.45 1ypj s ILE 118 CO 0.64 0.30 0.92 -2.28 0.00 0.00 0.00 174.94 174.51 1ypj s HIS 119 N 1.62 -0.63 0.47 3.97 2.46 -0.46 -1.24 115.29 121.48 1ypj s HIS 119 Ca 0.03 1.42 -0.20 0.00 0.47 0.00 0.00 55.06 56.78 1ypj s HIS 119 Cb -0.14 0.38 -0.09 0.00 -0.13 0.00 0.00 32.58 32.60 1ypj s HIS 119 CO -0.09 -0.31 1.00 -1.25 -2.47 0.00 0.00 174.74 171.62 1ypj s PRO 120 N 0.72 3.98 0.40 2.88 0.04 -1.26 -2.46 135.00 139.30 1ypj s PRO 120 Ca -0.02 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.17 1ypj s PRO 120 Cb -0.05 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1ypj s PRO 120 CO -0.09 -0.26 0.72 0.54 0.04 0.00 0.00 177.00 177.95 1ypj s VAL 121 N -2.13 4.89 0.48 -0.36 0.11 -0.55 -4.92 120.40 117.92 1ypj s VAL 121 Ca 0.64 0.31 -0.10 0.00 -2.93 0.00 0.00 61.98 59.89 1ypj s VAL 121 Cb -0.13 -3.78 -0.06 0.00 -1.53 0.00 0.00 36.38 30.89 1ypj s VAL 121 CO 0.18 -0.58 0.85 0.00 -3.33 0.00 0.00 175.10 172.22 1ypj s LEU 123 N -4.31 3.74 0.56 0.00 1.43 -1.26 -1.14 118.68 117.70 1ypj s LEU 123 Ca 0.52 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.54 1ypj s LEU 123 Cb -0.10 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 1ypj s LEU 123 CO 0.38 0.28 1.06 -2.16 0.23 0.00 0.00 176.35 176.14 1ypj s PRO 124 N -1.61 3.46 0.41 1.29 0.04 -1.26 -4.92 135.00 132.41 1ypj s PRO 124 Ca 0.21 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.58 1ypj s PRO 124 Cb -0.12 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1ypj s PRO 124 CO 0.12 -0.70 0.42 -0.40 0.04 0.00 0.00 177.00 176.48 1ypj n ASP 125 N -1.67 1.94 -0.18 6.66 5.68 -1.26 -4.82 116.55 122.90 1ypj n ASP 125 Ca 0.09 -2.26 0.08 0.00 -0.50 0.00 0.00 54.79 52.20 1ypj n ASP 125 Cb 0.53 -0.15 0.37 0.00 -1.14 0.00 0.00 41.12 40.73 1ypj n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ypj h ARG 126 N 0.00 0.69 0.10 0.11 2.43 -1.98 -2.42 114.38 113.31 1ypj h ARG 126 Ca -0.23 -0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 58.62 1ypj h ARG 126 Cb 0.91 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1ypj h ARG 126 CO 0.34 0.46 -1.39 0.93 -1.51 0.00 0.00 179.97 178.80 1ypj h GLU 127 N 0.71 0.21 0.00 0.20 3.07 -2.03 0.77 114.58 117.50 1ypj h GLU 127 Ca 0.33 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1ypj h GLU 127 Cb 0.35 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1ypj h GLU 127 CO -0.11 1.09 0.00 2.41 -1.40 0.00 0.00 179.01 181.00 1ypj n THR 128 N -3.44 0.00 0.00 1.13 -1.04 -0.91 -0.08 114.28 109.95 1ypj n THR 128 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1ypj n THR 128 Cb 1.03 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 1ypj n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ypj n ALA 129 N -0.09 0.00 0.09 2.41 0.00 0.26 -0.89 120.51 122.29 1ypj n ALA 129 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1ypj n ALA 129 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1ypj n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ypj h SER 129 N 0.00 0.20 0.00 0.00 4.64 -0.74 -3.40 113.55 114.25 1ypj h SER 129 Ca 0.00 -0.15 -0.17 0.00 -0.47 0.00 0.00 61.79 61.00 1ypj h SER 129 Cb 0.00 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1ypj h SER 129 CO 0.00 0.91 -1.70 0.18 -0.87 0.00 0.00 176.83 175.36 1ypj n LEU 129 N -3.69 0.00 -4.12 5.97 4.77 -0.07 -4.80 117.00 115.06 1ypj n LEU 129 Ca -0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 1ypj n LEU 129 Cb 0.75 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1ypj n LEU 129 CO 0.46 0.23 1.89 -0.11 -1.33 0.00 0.00 177.39 178.53 1ypj n LEU 130 N -2.33 6.03 -4.12 2.23 -0.00 -1.26 -4.79 117.00 112.75 1ypj n LEU 130 Ca -0.15 -4.43 -0.24 0.00 -0.00 0.00 0.00 56.01 51.19 1ypj n LEU 130 Cb 0.78 -1.58 -0.16 0.00 -0.00 0.00 0.00 43.42 42.47 1ypj n LEU 130 CO 0.22 0.99 -0.49 -1.10 -0.00 0.00 0.00 177.39 177.02 1ypj s GLN 131 N 1.62 1.43 0.22 1.96 -0.21 -1.26 -4.93 119.66 118.48 1ypj s GLN 131 Ca 0.43 -0.55 -0.32 0.00 0.02 0.00 0.00 55.36 54.95 1ypj s GLN 131 Cb 0.06 -1.31 -0.14 0.00 1.00 0.00 0.00 33.01 32.61 1ypj s GLN 131 CO -0.00 0.28 1.27 0.00 -2.12 0.00 0.00 175.29 174.71 1ypj n ALA 132 N 2.94 0.19 0.00 6.09 0.00 -1.26 -1.48 120.51 126.98 1ypj n ALA 132 Ca -0.16 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1ypj n ALA 132 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1ypj n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ypj n GLY 133 N 1.99 3.12 3.72 0.00 0.00 0.37 -4.94 105.19 109.45 1ypj n GLY 133 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ypj n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypj s TYR 134 N -2.07 3.38 0.11 1.61 1.51 -0.55 -4.68 117.35 116.66 1ypj s TYR 134 Ca 0.00 1.22 -0.15 0.00 -1.01 0.00 0.00 57.07 57.13 1ypj s TYR 134 Cb 0.00 -3.50 -0.07 0.00 -0.11 0.00 0.00 41.96 38.29 1ypj s TYR 134 CO 0.00 -1.59 0.52 0.15 -1.11 0.00 0.00 175.55 173.52 1ypj s LYS 135 N 0.90 3.99 0.53 -0.62 1.02 -1.26 -1.68 119.74 122.62 1ypj s LYS 135 Ca 0.60 0.49 0.01 0.00 0.02 0.00 0.00 55.97 57.08 1ypj s LYS 135 Cb -0.32 -3.02 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 1ypj s LYS 135 CO 0.30 0.54 0.05 0.20 -0.92 0.00 0.00 175.35 175.52 1ypj s GLY 136 N -1.55 3.04 -0.08 -3.33 0.00 0.27 -4.83 107.32 100.84 1ypj s GLY 136 Ca 0.34 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.95 1ypj s GLY 136 CO 0.18 -2.19 -0.15 -1.60 0.00 0.00 0.00 173.10 169.34 1ypj s ARG 137 N -3.96 2.11 -0.00 2.90 3.52 0.13 -0.98 118.95 122.68 1ypj s ARG 137 Ca 0.04 -0.54 0.08 0.00 -0.13 0.00 0.00 55.73 55.18 1ypj s ARG 137 Cb -0.00 -1.72 -0.02 0.00 -1.56 0.00 0.00 34.95 31.65 1ypj s ARG 137 CO 0.02 0.03 -0.25 0.08 -0.81 0.00 0.00 175.30 174.37 1ypj s VAL 138 N 0.69 2.14 0.03 7.11 1.01 -0.38 -0.53 120.40 130.48 1ypj s VAL 138 Ca -0.13 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.70 1ypj s VAL 138 Cb -0.16 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1ypj s VAL 138 CO 0.03 0.51 -0.09 0.42 0.00 0.00 0.00 175.10 175.98 1ypj s THR 139 N -0.68 0.66 0.00 3.92 -4.23 -1.24 -1.46 115.64 112.60 1ypj s THR 139 Ca 0.11 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1ypj s THR 139 Cb -0.10 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.09 1ypj s THR 139 CO 0.00 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1ypj n GLY 140 N 1.89 -0.39 1.17 3.99 0.00 -0.57 -4.52 105.19 106.76 1ypj n GLY 140 Ca -0.19 -1.00 0.08 0.00 0.00 0.00 0.00 46.02 44.91 1ypj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ypj n TRP 141 N -0.19 1.27 -1.34 1.61 8.01 -1.26 -1.89 117.44 123.64 1ypj n TRP 141 Ca 0.00 -0.86 -0.25 0.00 -1.31 0.00 0.00 57.50 55.08 1ypj n TRP 141 Cb 0.00 -0.38 0.19 0.00 -2.01 0.00 0.00 31.31 29.12 1ypj n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ypj n GLY 142 N -0.24 -2.14 3.64 6.99 0.00 -1.25 -4.63 105.19 107.57 1ypj n GLY 142 Ca 0.24 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 1ypj n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ypj n ASN 143 N -4.19 1.46 0.11 1.61 3.02 0.12 -2.93 115.26 114.45 1ypj n ASN 143 Ca 0.13 0.95 0.12 0.00 -0.03 0.00 0.00 54.58 55.76 1ypj n ASN 143 Cb 0.49 -1.42 0.17 0.00 -0.61 0.00 0.00 39.78 38.41 1ypj n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ypj h LEU 144 N 1.23 0.00 -7.73 3.41 3.38 -0.93 0.56 115.31 115.23 1ypj h LEU 144 Ca -0.47 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.26 1ypj h LEU 144 Cb 1.34 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.87 1ypj h LEU 144 CO 0.55 0.04 -0.50 -0.54 0.09 0.00 0.00 178.44 178.08 1ypj s LYS 145 N -3.21 0.44 0.12 1.13 1.02 -1.26 -4.30 119.74 113.68 1ypj s LYS 145 Ca 0.05 -0.31 -0.21 0.00 0.02 0.00 0.00 55.97 55.52 1ypj s LYS 145 Cb 0.11 0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 37.55 1ypj s LYS 145 CO 0.71 -0.10 1.70 1.49 -0.92 0.00 0.00 175.35 178.23 1ypj h GLU 146 N 4.52 -0.06 -4.91 1.68 4.81 -1.90 -3.42 114.58 115.30 1ypj h GLU 146 Ca -0.30 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.54 1ypj h GLU 146 Cb 1.19 0.01 -0.27 0.00 0.63 0.00 0.00 28.75 30.32 1ypj h GLU 146 CO 0.41 -0.04 -0.78 0.99 -0.73 0.00 0.00 179.01 178.85 1ypj s THR 147 N -6.18 0.82 0.00 0.32 2.01 -1.26 -4.96 115.64 106.39 1ypj s THR 147 Ca -0.14 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1ypj s THR 147 Cb 0.09 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1ypj s THR 147 CO 0.68 0.08 0.00 0.79 -0.69 0.00 0.00 174.62 175.47 1ypj n TRP 148 N 2.40 0.00 0.00 4.92 5.03 -1.26 -5.14 117.44 123.39 1ypj n TRP 148 Ca -0.16 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.37 1ypj n TRP 148 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.84 1ypj n TRP 148 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1ypj n GLY 150 N -0.03 2.02 3.69 6.99 0.00 -1.26 -5.18 105.19 111.42 1ypj n GLY 150 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1ypj n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ypj s GLN 151 N 1.78 2.55 0.43 1.61 -0.21 -1.26 -0.51 119.66 124.05 1ypj s GLN 151 Ca 0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 55.36 54.44 1ypj s GLN 151 Cb 0.00 -2.53 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 1ypj s GLN 151 CO 0.00 0.53 0.76 -1.25 -2.12 0.00 0.00 175.29 173.22 1ypj s PRO 152 N -2.38 3.68 -0.01 2.91 0.04 -1.26 -4.93 135.00 133.04 1ypj s PRO 152 Ca 0.26 0.34 0.06 0.00 0.04 0.00 0.00 61.00 61.70 1ypj s PRO 152 Cb -0.11 -2.40 -0.24 0.00 0.04 0.00 0.00 34.50 31.79 1ypj s PRO 152 CO 0.19 -0.09 0.78 0.66 0.04 0.00 0.00 177.00 178.58 1ypj h SER 153 N 0.88 0.12 -3.70 6.66 4.64 -1.97 -3.43 113.55 116.75 1ypj h SER 153 Ca -0.47 -0.21 -0.42 0.00 -0.47 0.00 0.00 61.79 60.22 1ypj h SER 153 Cb 1.19 -0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.10 1ypj h SER 153 CO 0.63 1.18 -0.62 0.68 -0.87 0.00 0.00 176.83 177.83 1ypj s VAL 154 N -2.62 0.99 0.17 0.95 -7.23 -1.26 -1.05 120.40 110.35 1ypj s VAL 154 Ca -0.06 -2.01 -0.33 0.00 -1.81 0.00 0.00 61.98 57.76 1ypj s VAL 154 Cb 0.08 -2.68 -0.15 0.00 0.56 0.00 0.00 36.38 34.20 1ypj s VAL 154 CO 0.82 -0.06 1.39 -0.11 -0.31 0.00 0.00 175.10 176.84 1ypj n LEU 155 N -0.58 2.49 -4.74 1.32 7.94 0.13 -4.82 117.00 118.75 1ypj n LEU 155 Ca -0.02 1.12 -0.25 0.00 -1.11 0.00 0.00 56.01 55.75 1ypj n LEU 155 Cb 0.66 -1.34 -0.06 0.00 0.53 0.00 0.00 43.42 43.21 1ypj n LEU 155 CO 0.40 -0.71 -0.26 -1.10 -1.11 0.00 0.00 177.39 174.61 1ypj s GLN 156 N 0.14 2.67 -0.01 1.96 -1.52 -0.79 0.21 119.66 122.31 1ypj s GLN 156 Ca 0.75 -1.05 -0.02 0.00 -1.95 0.00 0.00 55.36 53.10 1ypj s GLN 156 Cb -0.76 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 1ypj s GLN 156 CO 0.46 0.44 0.04 0.54 -0.25 0.00 0.00 175.29 176.53 1ypj s VAL 157 N -1.88 0.02 -0.15 1.09 0.11 -0.57 -1.51 120.40 117.51 1ypj s VAL 157 Ca 0.30 -0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 59.05 1ypj s VAL 157 Cb -0.09 -0.12 0.04 0.00 -1.53 0.00 0.00 36.38 34.68 1ypj s VAL 157 CO 0.22 -0.10 0.38 0.54 -3.33 0.00 0.00 175.10 172.81 1ypj s VAL 158 N -0.28 -0.00 -0.12 2.04 0.11 -0.54 -1.09 120.40 120.53 1ypj s VAL 158 Ca -0.03 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 58.98 1ypj s VAL 158 Cb -0.02 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1ypj s VAL 158 CO -0.00 0.00 0.07 0.20 -3.33 0.00 0.00 175.10 172.04 1ypj s ASN 159 N 0.33 5.77 -0.04 3.54 0.01 -1.26 -1.25 114.94 122.04 1ypj s ASN 159 Ca -0.01 0.26 -0.04 0.00 -0.71 0.00 0.00 52.86 52.36 1ypj s ASN 159 Cb -0.03 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.84 1ypj s ASN 159 CO -0.01 0.35 0.12 -0.76 -1.51 0.00 0.00 177.10 175.29 1ypj s LEU 160 N -0.72 1.52 0.16 0.60 1.43 -0.15 -4.98 118.68 116.55 1ypj s LEU 160 Ca 0.12 0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 53.19 1ypj s LEU 160 Cb -0.12 0.40 -0.08 0.00 0.03 0.00 0.00 46.19 46.42 1ypj s LEU 160 CO 0.03 -0.05 0.85 -2.16 0.23 0.00 0.00 176.35 175.25 1ypj s PRO 161 N 0.11 4.66 0.49 1.29 0.04 -1.26 -0.56 135.00 139.77 1ypj s PRO 161 Ca -0.00 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 1ypj s PRO 161 Cb -0.01 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 1ypj s PRO 161 CO -0.00 0.47 1.27 0.42 0.04 0.00 0.00 177.00 179.20 1ypj s ILE 162 N -0.87 2.59 0.06 0.56 1.01 -0.68 0.26 121.20 124.14 1ypj s ILE 162 Ca 0.39 0.46 0.07 0.00 0.00 0.00 0.00 60.65 61.57 1ypj s ILE 162 Cb -0.24 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1ypj s ILE 162 CO 0.28 0.01 -0.17 -0.69 0.00 0.00 0.00 174.94 174.37 1ypj s VAL 163 N -1.40 2.91 0.24 2.92 1.01 -0.03 -0.47 120.40 125.58 1ypj s VAL 163 Ca 0.66 -1.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 1ypj s VAL 163 Cb -0.35 -2.27 -0.14 0.00 0.00 0.00 0.00 36.38 33.62 1ypj s VAL 163 CO 0.43 0.26 1.30 -0.62 0.00 0.00 0.00 175.10 176.46 1ypj n GLU 164 N 1.27 1.80 -0.27 2.72 4.71 -1.26 -4.67 120.64 124.94 1ypj n GLU 164 Ca -0.16 0.64 -0.02 0.00 -0.01 0.00 0.00 57.16 57.61 1ypj n GLU 164 Cb 0.52 -2.22 0.09 0.00 -1.01 0.00 0.00 31.44 28.83 1ypj n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ypj h ARG 165 N 3.58 0.87 -0.38 3.49 3.08 -1.98 -1.71 114.38 121.33 1ypj h ARG 165 Ca -0.44 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 1ypj h ARG 165 Cb 1.30 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 1ypj h ARG 165 CO 0.71 0.57 0.12 -1.35 -1.07 0.00 0.00 179.97 178.96 1ypj h PRO 166 N 0.89 0.54 -0.04 0.04 0.11 -1.99 -1.61 132.00 129.94 1ypj h PRO 166 Ca 0.31 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 66.21 1ypj h PRO 166 Cb 0.06 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1ypj h PRO 166 CO -0.13 0.47 -0.57 0.28 -0.21 0.00 0.00 178.00 177.84 1ypj h VAL 167 N 0.54 1.39 -0.00 3.15 2.07 -1.70 -0.30 116.25 121.39 1ypj h VAL 167 Ca 0.13 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 1ypj h VAL 167 Cb 0.16 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1ypj h VAL 167 CO -0.01 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.14 1ypj h LYS 169 N -0.22 0.17 -0.00 0.00 3.64 -1.13 -2.32 116.57 116.70 1ypj h LYS 169 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ypj h LYS 169 Cb 0.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ypj h LYS 169 CO 0.00 0.11 -0.00 -0.25 -2.27 0.00 0.00 179.45 177.04 1ypj n ASP 170 N -5.21 0.05 -0.29 4.20 8.00 -0.14 -3.26 116.55 119.89 1ypj n ASP 170 Ca 0.09 -0.69 0.11 0.00 0.71 0.00 0.00 54.79 55.01 1ypj n ASP 170 Cb 0.34 -0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1ypj n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ypj n SER 171 N -1.08 1.50 -3.89 -2.24 3.41 -0.87 -4.98 113.62 105.47 1ypj n SER 171 Ca 0.20 -1.20 -0.09 0.00 -0.26 0.00 0.00 58.87 57.52 1ypj n SER 171 Cb 0.17 0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 64.60 1ypj n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ypj s THR 172 N -2.66 0.14 -0.78 6.66 -1.32 -1.20 -4.86 115.64 111.62 1ypj s THR 172 Ca 0.16 -1.14 0.24 0.00 -1.21 0.00 0.00 61.69 59.74 1ypj s THR 172 Cb 0.18 -1.15 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1ypj s THR 172 CO 0.66 -0.63 1.22 0.54 -2.21 0.00 0.00 174.62 174.20 1ypj n ARG 173 N 0.32 0.17 -2.27 7.08 1.74 -1.26 -4.92 116.66 117.52 1ypj n ARG 173 Ca -0.17 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 1ypj n ARG 173 Cb 0.61 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 1ypj n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ypj s ILE 174 N -3.11 3.13 -0.24 0.55 -1.09 -1.26 -4.98 121.20 114.21 1ypj s ILE 174 Ca 0.07 1.08 -0.29 0.00 -2.23 0.00 0.00 60.65 59.28 1ypj s ILE 174 Cb 0.15 -3.69 -0.00 0.00 -1.58 0.00 0.00 42.46 37.35 1ypj s ILE 174 CO 0.75 0.23 1.23 -0.60 -1.23 0.00 0.00 174.94 175.32 1ypj s ARG 175 N -1.21 4.10 0.12 2.79 3.52 -1.26 -5.01 118.95 122.01 1ypj s ARG 175 Ca 0.49 1.41 -0.24 0.00 -0.13 0.00 0.00 55.73 57.26 1ypj s ARG 175 Cb -0.36 -3.79 -0.07 0.00 -1.56 0.00 0.00 34.95 29.17 1ypj s ARG 175 CO 0.45 -0.87 0.73 0.42 -0.81 0.00 0.00 175.30 175.22 1ypj s ILE 176 N 3.80 4.53 0.43 4.11 -1.09 -1.26 -4.89 121.20 126.84 1ypj s ILE 176 Ca 0.53 1.59 0.07 0.00 -2.23 0.00 0.00 60.65 60.61 1ypj s ILE 176 Cb -0.18 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1ypj s ILE 176 CO 0.17 0.49 0.23 0.42 -1.23 0.00 0.00 174.94 175.02 1ypj s THR 177 N -0.84 2.26 -0.72 2.92 -4.23 -1.26 -5.02 115.64 108.74 1ypj s THR 177 Ca 0.35 -1.62 0.20 0.00 -1.18 0.00 0.00 61.69 59.44 1ypj s THR 177 Cb -0.22 -2.88 0.20 0.00 1.34 0.00 0.00 72.50 70.94 1ypj s THR 177 CO 0.24 0.00 1.62 0.47 -0.54 0.00 0.00 174.62 176.41 1ypj n ASP 178 N -1.35 0.38 -0.97 3.99 8.00 -1.26 -2.46 116.55 122.88 1ypj n ASP 178 Ca -0.01 0.59 0.05 0.00 0.71 0.00 0.00 54.79 56.13 1ypj n ASP 178 Cb 0.64 -0.67 0.19 0.00 -0.02 0.00 0.00 41.12 41.26 1ypj n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ypj n ASN 179 N -1.91 2.78 -4.19 -2.24 3.02 -1.26 -4.87 115.26 106.59 1ypj n ASN 179 Ca 0.03 -2.24 -0.15 0.00 -0.03 0.00 0.00 54.58 52.19 1ypj n ASN 179 Cb 0.21 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 38.85 1ypj n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ypj s MET 180 N -1.70 0.90 0.13 3.52 -1.94 -1.03 -1.01 119.30 118.17 1ypj s MET 180 Ca 0.27 -1.19 -0.01 0.00 -1.71 0.00 0.00 55.69 53.05 1ypj s MET 180 Cb 0.18 -0.61 -0.04 0.00 2.01 0.00 0.00 34.83 36.36 1ypj s MET 180 CO 0.13 0.10 0.06 -0.59 -0.01 0.00 0.00 175.02 174.71 1ypj s PHE 181 N -2.44 0.89 0.11 -0.03 -0.12 -0.27 -4.81 117.98 111.31 1ypj s PHE 181 Ca 0.07 -1.23 0.08 0.00 -0.05 0.00 0.00 56.93 55.80 1ypj s PHE 181 Cb -0.03 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 1ypj s PHE 181 CO 0.01 -0.51 -0.21 0.00 -0.05 0.00 0.00 175.22 174.45 1ypj s ALA 183 N -1.20 0.34 0.00 0.00 0.00 -0.38 -0.85 121.76 119.67 1ypj s ALA 183 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1ypj s ALA 183 Cb -0.10 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1ypj s ALA 183 CO 0.04 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1ypj n GLY 184 N 2.11 3.53 3.79 0.00 0.00 0.14 -2.55 105.19 112.22 1ypj n GLY 184 Ca -0.19 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 1ypj n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypj s TYR 184 N -2.00 3.73 0.49 1.61 2.02 -1.26 -4.57 117.35 117.37 1ypj s TYR 184 Ca 0.00 1.59 -0.11 0.00 -0.37 0.00 0.00 57.07 58.18 1ypj s TYR 184 Cb 0.00 -2.76 -0.06 0.00 -0.40 0.00 0.00 41.96 38.74 1ypj s TYR 184 CO 0.00 0.34 0.87 0.15 -1.57 0.00 0.00 175.55 175.34 1ypj s LYS 185 N -1.79 3.73 0.56 -0.62 3.01 -1.26 -4.83 119.74 118.53 1ypj s LYS 185 Ca 0.44 0.58 0.27 0.00 -1.01 0.00 0.00 55.97 56.24 1ypj s LYS 185 Cb -0.19 -2.27 1.49 0.00 -1.01 0.00 0.00 37.83 35.86 1ypj s LYS 185 CO 0.23 -0.23 2.01 -1.35 0.51 0.00 0.00 175.35 176.53 1ypj h PRO 186 N 0.65 0.00 -0.00 -1.68 0.11 -1.96 -0.57 132.00 128.55 1ypj h PRO 186 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1ypj h PRO 186 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ypj h PRO 186 CO 0.62 0.00 -0.36 -0.44 -0.21 0.00 0.00 178.00 177.61 1ypj h ASP 186 N 0.00 0.00 1.23 -2.05 5.19 -1.97 -3.19 116.42 115.63 1ypj h ASP 186 Ca 0.18 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1ypj h ASP 186 Cb 0.85 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1ypj h ASP 186 CO -0.00 0.36 0.00 -0.33 -3.12 0.00 0.00 179.24 176.15 1ypj h GLU 186 N 0.00 0.00 0.00 3.56 5.08 -1.46 -3.47 114.58 118.29 1ypj h GLU 186 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ypj h GLU 186 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ypj h GLU 186 CO 0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 1ypj n GLY 186 N 0.54 0.86 3.74 -3.84 0.00 -1.21 -4.95 105.19 100.34 1ypj n GLY 186 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1ypj n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypj s LYS 186 N 0.00 2.76 0.46 1.61 1.02 -1.26 -5.01 119.74 119.31 1ypj s LYS 186 Ca 0.00 2.00 0.01 0.00 0.02 0.00 0.00 55.97 58.00 1ypj s LYS 186 Cb 0.00 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 1ypj s LYS 186 CO 0.00 -1.42 0.05 0.54 -0.92 0.00 0.00 175.35 173.60 1ypj n ARG 187 N -1.71 0.73 0.00 1.68 1.74 -1.26 -4.70 116.66 113.15 1ypj n ARG 187 Ca 0.15 -3.50 0.00 0.00 -0.77 0.00 0.00 57.85 53.73 1ypj n ARG 187 Cb 0.48 1.28 0.00 0.00 -1.02 0.00 0.00 32.46 33.20 1ypj n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ypj n GLY 188 N -0.81 4.17 3.52 -0.13 0.00 -1.26 -4.93 105.19 105.76 1ypj n GLY 188 Ca -0.15 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 1ypj n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ypj s ASP 189 N 0.00 -0.32 0.82 1.61 -1.08 -0.97 -4.75 116.67 111.98 1ypj s ASP 189 Ca 0.00 -0.01 -0.12 0.00 -0.52 0.00 0.00 52.55 51.91 1ypj s ASP 189 Cb 0.00 0.34 0.09 0.00 -1.46 0.00 0.00 42.92 41.89 1ypj s ASP 189 CO 0.00 -0.56 1.12 0.00 0.52 0.00 0.00 175.17 176.25 1ypj s ALA 190 N -3.00 2.22 0.18 3.66 0.00 -1.26 -1.13 121.76 122.43 1ypj s ALA 190 Ca 0.06 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 1ypj s ALA 190 Cb -0.01 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 20.07 1ypj s ALA 190 CO -0.08 -1.83 0.32 0.00 0.00 0.00 0.00 175.76 174.17 1ypj n GLU 192 N -0.27 1.79 -0.02 0.00 -0.58 -1.26 -1.33 120.64 118.98 1ypj n GLU 192 Ca -0.02 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1ypj n GLU 192 Cb 0.28 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 28.82 1ypj n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ypj n GLY 193 N 2.76 1.26 0.06 0.62 0.00 -1.26 0.11 105.19 108.74 1ypj n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1ypj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ypj n ASP 194 N 0.00 0.68 -4.46 1.61 8.00 -0.44 -3.83 116.55 118.12 1ypj n ASP 194 Ca 0.00 0.05 -0.51 0.00 0.71 0.00 0.00 54.79 55.04 1ypj n ASP 194 Cb 0.00 0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 1ypj n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ypj n SER 195 N -2.18 -0.52 0.00 -2.24 7.64 -1.26 -1.68 113.62 113.38 1ypj n SER 195 Ca 0.02 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1ypj n SER 195 Cb 0.46 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1ypj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ypj n GLY 196 N 1.82 2.66 3.81 0.23 0.00 0.36 -0.16 105.19 113.91 1ypj n GLY 196 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ypj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ypj s GLY 197 N -1.77 1.60 0.25 -0.02 0.00 -0.68 -3.11 107.32 103.59 1ypj s GLY 197 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 1ypj s GLY 197 CO 0.00 0.09 0.72 2.56 0.00 0.00 0.00 173.10 176.47 1ypj s PRO 198 N -5.26 4.17 -0.40 2.90 0.04 -1.26 -0.70 135.00 134.49 1ypj s PRO 198 Ca 0.62 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1ypj s PRO 198 Cb -0.14 -2.75 0.04 0.00 0.04 0.00 0.00 34.50 31.68 1ypj s PRO 198 CO 0.53 0.33 0.25 0.12 0.04 0.00 0.00 177.00 178.27 1ypj s PHE 199 N -1.65 3.26 0.32 0.56 2.19 -0.37 -3.65 117.98 118.63 1ypj s PHE 199 Ca 0.46 -0.98 0.10 0.00 0.33 0.00 0.00 56.93 56.83 1ypj s PHE 199 Cb -0.15 -2.62 -0.05 0.00 -1.31 0.00 0.00 43.02 38.90 1ypj s PHE 199 CO 0.20 -0.69 -0.04 0.14 1.83 0.00 0.00 175.22 176.67 1ypj s VAL 200 N 1.56 2.73 -0.00 3.12 -7.23 0.31 -0.89 120.40 120.01 1ypj s VAL 200 Ca 0.03 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1ypj s VAL 200 Cb -0.20 -2.71 -0.00 0.00 0.56 0.00 0.00 36.38 34.03 1ypj s VAL 200 CO 0.07 -0.27 0.02 -0.04 -0.31 0.00 0.00 175.10 174.57 1ypj s MET 201 N -3.66 0.16 -0.30 4.82 -1.94 -0.62 0.20 119.30 117.95 1ypj s MET 201 Ca 0.33 -0.19 -0.09 0.00 -1.71 0.00 0.00 55.69 54.03 1ypj s MET 201 Cb -0.02 0.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.88 1ypj s MET 201 CO 0.18 -0.03 0.13 0.21 -0.01 0.00 0.00 175.02 175.50 1ypj s LYS 202 N -0.56 3.31 0.11 2.03 2.20 -1.26 -1.19 119.74 124.38 1ypj s LYS 202 Ca -0.06 -0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 54.51 1ypj s LYS 202 Cb -0.04 -3.49 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 1ypj s LYS 202 CO -0.00 -0.40 1.48 0.45 -0.36 0.00 0.00 175.35 176.53 1ypj s SER 203 N 1.59 6.72 0.17 1.43 0.15 0.30 -4.86 113.70 119.20 1ypj s SER 203 Ca 0.04 2.41 0.25 0.00 0.70 0.00 0.00 55.95 59.35 1ypj s SER 203 Cb -0.17 -2.58 0.91 0.00 -1.71 0.00 0.00 66.02 62.47 1ypj s SER 203 CO 0.05 -0.75 1.76 -0.81 1.20 0.00 0.00 173.24 174.69 1ypj n PRO 204 N 4.38 0.18 0.04 5.44 -0.04 -1.26 0.23 135.00 143.97 1ypj n PRO 204 Ca 0.13 0.24 -0.20 0.00 -0.04 0.00 0.00 63.50 63.63 1ypj n PRO 204 Cb 0.41 -1.75 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 1ypj n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ypj h PHE 204 N 0.00 0.50 0.00 0.54 0.04 -1.97 -3.41 116.94 112.64 1ypj h PHE 204 Ca 0.00 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1ypj h PHE 204 Cb 0.56 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1ypj h PHE 204 CO 0.00 1.35 0.00 0.27 -0.60 0.00 0.00 178.31 179.33 1ypj n ASN 204 N -4.10 1.11 -1.36 2.17 0.23 -1.21 -5.01 115.26 107.08 1ypj n ASN 204 Ca -0.16 -1.41 -0.18 0.00 -0.53 0.00 0.00 54.58 52.30 1ypj n ASN 204 Cb 0.83 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.45 1ypj n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ypj n ASN 205 N -0.21 -5.13 -4.88 0.53 3.02 0.14 -4.99 115.26 103.74 1ypj n ASN 205 Ca 0.00 0.43 -0.32 0.00 -0.03 0.00 0.00 54.58 54.66 1ypj n ASN 205 Cb 0.23 -4.18 -0.05 0.00 -0.61 0.00 0.00 39.78 35.16 1ypj n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ypj s ARG 206 N -3.51 3.32 -0.09 3.52 0.52 -1.25 -4.82 118.95 116.64 1ypj s ARG 206 Ca 0.00 -0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 1ypj s ARG 206 Cb 0.00 -2.99 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 1ypj s ARG 206 CO 0.00 0.63 0.98 -1.58 0.02 0.00 0.00 175.30 175.35 1ypj s TRP 207 N -1.39 3.54 -0.03 -0.53 0.52 -1.26 -0.54 118.94 119.25 1ypj s TRP 207 Ca 0.30 1.58 0.06 0.00 0.02 0.00 0.00 56.10 58.06 1ypj s TRP 207 Cb -0.13 -3.15 -0.02 0.00 -1.15 0.00 0.00 33.47 29.02 1ypj s TRP 207 CO 0.22 -0.17 -0.20 0.71 0.02 0.00 0.00 176.95 177.54 1ypj s TYR 208 N 1.77 2.53 -0.40 -1.98 2.02 -0.34 -1.83 117.35 119.12 1ypj s TYR 208 Ca 0.48 -0.28 -0.18 0.00 -0.37 0.00 0.00 57.07 56.72 1ypj s TYR 208 Cb -0.19 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1ypj s TYR 208 CO 0.20 0.10 0.48 -1.14 -1.57 0.00 0.00 175.55 173.61 1ypj s GLN 209 N -0.73 3.27 -0.09 -0.62 0.74 -0.29 -1.59 119.66 120.34 1ypj s GLN 209 Ca 0.11 -0.55 0.16 0.00 0.05 0.00 0.00 55.36 55.13 1ypj s GLN 209 Cb -0.10 -3.92 -0.23 0.00 1.10 0.00 0.00 33.01 29.86 1ypj s GLN 209 CO 0.00 -0.81 0.43 -1.33 -0.55 0.00 0.00 175.29 173.03 1ypj n MET 210 N 5.71 0.66 -4.13 1.67 2.81 -0.06 -4.33 117.12 119.45 1ypj n MET 210 Ca -0.06 0.12 -0.09 0.00 -1.81 0.00 0.00 57.70 55.87 1ypj n MET 210 Cb 0.48 -1.66 -0.10 0.00 -0.71 0.00 0.00 33.22 31.23 1ypj n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ypj s GLY 211 N -5.18 0.72 -0.08 3.03 0.00 -0.96 -1.25 107.32 103.61 1ypj s GLY 211 Ca -0.07 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.34 1ypj s GLY 211 CO 0.83 -1.37 -0.16 -0.42 0.00 0.00 0.00 173.10 171.98 1ypj s ILE 212 N -3.89 1.42 -0.16 0.90 1.01 -0.90 -1.23 121.20 118.35 1ypj s ILE 212 Ca 0.14 -0.64 -0.33 0.00 0.00 0.00 0.00 60.65 59.82 1ypj s ILE 212 Cb 0.07 -1.28 -0.10 0.00 0.01 0.00 0.00 42.46 41.16 1ypj s ILE 212 CO -0.05 0.42 2.00 0.52 0.00 0.00 0.00 174.94 177.84 1ypj n VAL 213 N 3.81 0.47 -0.01 2.92 0.31 0.12 -1.17 118.33 124.78 1ypj n VAL 213 Ca -0.21 -0.20 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 1ypj n VAL 213 Cb 0.52 -1.95 -0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1ypj n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ypj n SER 214 N 8.16 0.47 -3.20 4.52 2.88 -0.86 -0.49 113.62 125.10 1ypj n SER 214 Ca 0.28 0.07 -0.10 0.00 -1.33 0.00 0.00 58.87 57.79 1ypj n SER 214 Cb 0.31 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1ypj n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ypj s TRP 215 N -1.45 0.26 -0.60 0.66 1.48 -0.91 -4.91 118.94 113.46 1ypj s TRP 215 Ca -0.04 -0.80 0.00 0.00 -1.06 0.00 0.00 56.10 54.19 1ypj s TRP 215 Cb 0.01 0.61 0.00 0.00 -1.16 0.00 0.00 33.47 32.92 1ypj s TRP 215 CO 0.06 -1.40 0.00 0.41 -4.06 0.00 0.00 176.95 171.96 1ypj n GLY 216 N -0.52 -1.28 2.98 3.67 0.00 -1.26 -0.02 105.19 108.76 1ypj n GLY 216 Ca -0.06 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1ypj n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ypj s GLU 217 N -1.13 1.87 3.62 1.61 2.02 -1.26 -5.02 118.70 120.41 1ypj s GLU 217 Ca 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1ypj s GLU 217 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1ypj s GLU 217 CO 0.00 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.14 1ypj n GLY 219 N 4.62 0.70 2.92 -1.39 0.00 -1.26 -4.70 105.19 106.07 1ypj n GLY 219 Ca -0.13 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1ypj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypj n ASP 221 N 3.87 -4.51 -4.81 0.00 2.03 -1.26 -4.57 116.55 107.30 1ypj n ASP 221 Ca -0.23 -0.29 -0.34 0.00 0.52 0.00 0.00 54.79 54.45 1ypj n ASP 221 Cb 0.54 -3.70 -0.06 0.00 -0.72 0.00 0.00 41.12 37.18 1ypj n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ypj s ARG 221 N -5.80 4.08 0.23 -0.67 0.52 -1.26 -4.94 118.95 111.11 1ypj s ARG 221 Ca 0.32 1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 56.46 1ypj s ARG 221 Cb -0.16 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.05 1ypj s ARG 221 CO 0.40 -0.17 1.21 -0.51 0.02 0.00 0.00 175.30 176.25 1ypj s ASP 222 N -2.08 7.05 0.00 0.23 1.11 -1.26 -2.60 116.67 119.12 1ypj s ASP 222 Ca 0.64 2.35 0.00 0.00 0.18 0.00 0.00 52.55 55.71 1ypj s ASP 222 Cb -0.12 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.25 1ypj s ASP 222 CO 0.16 -0.37 0.00 0.61 1.18 0.00 0.00 175.17 176.75 1ypj n GLY 223 N 1.76 1.10 3.68 0.21 0.00 -1.26 -5.02 105.19 105.66 1ypj n GLY 223 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1ypj n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypj s LYS 224 N -0.16 2.24 0.01 1.61 -0.14 -1.07 -4.77 119.74 117.47 1ypj s LYS 224 Ca 0.00 -1.61 -0.00 0.00 -1.36 0.00 0.00 55.97 53.00 1ypj s LYS 224 Cb 0.00 -2.07 -0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1ypj s LYS 224 CO 0.00 0.16 -0.02 0.71 -0.76 0.00 0.00 175.35 175.44 1ypj s TYR 225 N -2.45 0.16 0.30 3.18 2.02 -1.26 -4.75 117.35 114.54 1ypj s TYR 225 Ca 0.36 -0.33 -0.29 0.00 -0.37 0.00 0.00 57.07 56.44 1ypj s TYR 225 Cb -0.02 -0.12 -0.09 0.00 -0.40 0.00 0.00 41.96 41.33 1ypj s TYR 225 CO 0.21 -0.12 1.09 0.20 -1.57 0.00 0.00 175.55 175.36 1ypj s GLY 226 N -0.93 3.03 -0.04 0.71 0.00 -1.06 -4.66 107.32 104.37 1ypj s GLY 226 Ca -0.10 0.88 0.01 0.00 0.00 0.00 0.00 44.72 45.50 1ypj s GLY 226 CO -0.01 1.46 -0.02 -1.36 0.00 0.00 0.00 173.10 173.18 1ypj s PHE 227 N -1.22 3.05 -0.01 1.90 0.40 0.96 -1.24 117.98 121.82 1ypj s PHE 227 Ca 0.46 0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.92 1ypj s PHE 227 Cb -0.31 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1ypj s PHE 227 CO 0.40 0.43 -0.12 0.71 0.70 0.00 0.00 175.22 177.33 1ypj s TYR 228 N -0.97 1.10 0.17 0.36 1.51 0.66 -2.03 117.35 118.15 1ypj s TYR 228 Ca 0.16 -0.21 -0.31 0.00 -1.01 0.00 0.00 57.07 55.71 1ypj s TYR 228 Cb -0.11 -0.71 -0.09 0.00 -0.11 0.00 0.00 41.96 40.94 1ypj s TYR 228 CO 0.06 -0.02 1.41 0.99 -1.11 0.00 0.00 175.55 176.88 1ypj s THR 229 N -0.29 3.05 -0.81 -0.71 2.01 -0.32 -1.11 115.64 117.47 1ypj s THR 229 Ca 0.05 0.80 -0.25 0.00 0.31 0.00 0.00 61.69 62.59 1ypj s THR 229 Cb -0.05 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.96 1ypj s THR 229 CO -0.00 0.09 1.55 -2.28 -0.69 0.00 0.00 174.62 173.28 1ypj s HIS 230 N 0.69 2.14 0.15 4.92 2.46 -0.18 -2.12 115.29 123.36 1ypj s HIS 230 Ca 0.63 0.03 -0.16 0.00 0.47 0.00 0.00 55.06 56.03 1ypj s HIS 230 Cb -0.39 -4.44 0.02 0.00 -0.13 0.00 0.00 32.58 27.64 1ypj s HIS 230 CO 0.34 -2.04 1.80 0.28 -2.47 0.00 0.00 174.74 172.65 1ypj h VAL 231 N 6.60 1.13 -0.50 0.89 2.07 -1.46 -2.67 116.25 122.31 1ypj h VAL 231 Ca -0.09 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1ypj h VAL 231 Cb 1.06 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1ypj h VAL 231 CO 1.29 0.13 0.26 0.15 0.02 0.00 0.00 177.57 179.42 1ypj h PHE 232 N 0.58 0.67 0.00 1.57 3.57 -1.85 -0.17 116.94 121.30 1ypj h PHE 232 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ypj h PHE 232 Cb -0.03 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 1ypj h PHE 232 CO -0.04 0.48 -0.05 0.00 -2.23 0.00 0.00 178.31 176.47 1ypj h ARG 233 N 0.69 0.00 -0.36 1.11 2.47 -1.86 -2.50 114.38 113.94 1ypj h ARG 233 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1ypj h ARG 233 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1ypj h ARG 233 CO -0.03 0.05 0.00 1.28 0.56 0.00 0.00 179.97 181.83 1ypj n LEU 234 N -3.24 3.64 0.15 3.04 4.77 -0.12 -4.61 117.00 120.63 1ypj n LEU 234 Ca -0.01 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 1ypj n LEU 234 Cb 0.25 -0.42 0.19 0.00 -2.33 0.00 0.00 43.42 41.11 1ypj n LEU 234 CO 0.27 0.72 0.52 0.50 -1.33 0.00 0.00 177.39 178.07 1ypj h LYS 235 N 2.25 0.00 -0.96 3.23 3.64 -0.96 -1.61 116.57 122.15 1ypj h LYS 235 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1ypj h LYS 235 Cb 1.16 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1ypj h LYS 235 CO 0.14 0.57 0.63 0.87 -2.27 0.00 0.00 179.45 179.39 1ypj h LYS 236 N 0.00 1.20 -0.30 1.90 1.57 -1.82 0.38 116.57 119.50 1ypj h LYS 236 Ca -0.01 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 1ypj h LYS 236 Cb 1.09 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1ypj h LYS 236 CO 0.07 0.79 -0.51 2.35 -0.57 0.00 0.00 179.45 181.59 1ypj h TRP 237 N 1.24 1.08 -0.33 -1.35 7.01 -1.68 -1.47 115.95 120.45 1ypj h TRP 237 Ca 0.37 -0.37 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1ypj h TRP 237 Cb -0.03 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 1ypj h TRP 237 CO -0.00 1.20 0.13 0.82 -2.79 0.00 0.00 178.44 177.80 1ypj h ILE 238 N 0.68 0.94 -0.76 2.65 2.04 -0.67 -1.33 117.51 121.06 1ypj h ILE 238 Ca 0.02 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1ypj h ILE 238 Cb 1.11 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1ypj h ILE 238 CO 0.12 0.05 0.30 1.56 0.00 0.00 0.00 178.15 180.17 1ypj h GLN 239 N 0.29 1.14 -0.23 2.37 1.08 -0.91 -1.86 115.11 117.00 1ypj h GLN 239 Ca 0.14 -0.21 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1ypj h GLN 239 Cb 0.09 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1ypj h GLN 239 CO -0.13 0.93 -0.00 -0.22 -0.95 0.00 0.00 178.83 178.46 1ypj h LYS 240 N 1.11 0.07 -0.20 1.46 3.11 -0.67 0.69 116.57 122.14 1ypj h LYS 240 Ca 0.25 -0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.04 1ypj h LYS 240 Cb 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1ypj h LYS 240 CO -0.02 0.05 -0.07 0.28 -2.81 0.00 0.00 179.45 176.88 1ypj h VAL 241 N 0.07 1.30 -0.37 2.00 2.07 -1.05 -1.15 116.25 119.12 1ypj h VAL 241 Ca 0.11 -1.08 -0.16 0.00 0.82 0.00 0.00 66.70 66.39 1ypj h VAL 241 Cb 0.14 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1ypj h VAL 241 CO -0.18 0.33 -0.39 0.16 0.02 0.00 0.00 177.57 177.51 1ypj h ILE 242 N 0.11 1.27 -0.44 4.57 3.07 -1.10 0.30 117.51 125.29 1ypj h ILE 242 Ca 0.05 -1.56 -0.04 0.00 1.55 0.00 0.00 64.86 64.85 1ypj h ILE 242 Cb 0.53 1.39 -0.02 0.00 -0.27 0.00 0.00 36.82 38.45 1ypj h ILE 242 CO 0.02 0.52 0.09 0.44 -1.05 0.00 0.00 178.15 178.18 1ypj h ASP 243 N 0.74 0.61 0.68 2.16 3.45 0.41 -3.08 116.42 121.39 1ypj h ASP 243 Ca 0.06 -0.10 -0.27 0.00 0.43 0.00 0.00 57.03 57.16 1ypj h ASP 243 Cb 0.97 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.57 1ypj h ASP 243 CO 0.09 0.62 -1.31 -0.61 -1.57 0.00 0.00 179.24 176.46 1ypj h GLN 244 N 0.64 0.15 0.00 3.56 4.15 -0.97 -3.51 115.11 119.13 1ypj h GLN 244 Ca 0.14 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1ypj h GLN 244 Cb 0.26 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1ypj h GLN 244 CO -0.00 1.03 0.00 1.19 -1.93 0.00 0.00 178.83 179.12