#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypl s VAL 17 N 0.00 5.30 -1.45 1.39 1.01 0.85 -4.10 120.40 123.39 1ypl s VAL 17 Ca 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 1ypl s VAL 17 Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1ypl s VAL 17 CO 0.00 0.46 0.63 -0.62 0.00 0.00 0.00 175.10 175.57 1ypl n GLU 18 N 3.06 -4.95 0.00 2.72 -0.58 -1.26 -2.43 120.64 117.20 1ypl n GLU 18 Ca -0.14 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 1ypl n GLU 18 Cb 0.52 -5.62 0.00 0.00 -0.57 0.00 0.00 31.44 25.77 1ypl n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ypl n GLY 19 N -1.53 1.82 3.28 0.62 0.00 -1.26 -4.61 105.19 103.51 1ypl n GLY 19 Ca -0.10 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 1ypl n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ypl s SER 20 N -1.00 0.12 0.18 1.61 1.04 -0.19 -4.93 113.70 110.53 1ypl s SER 20 Ca 0.00 -1.21 -0.32 0.00 0.48 0.00 0.00 55.95 54.90 1ypl s SER 20 Cb 0.00 0.41 -0.11 0.00 0.10 0.00 0.00 66.02 66.42 1ypl s SER 20 CO 0.00 -0.88 1.70 -1.81 0.98 0.00 0.00 173.24 173.23 1ypl s ASP 21 N -3.09 6.44 0.74 7.02 1.11 -1.26 -0.28 116.67 127.35 1ypl s ASP 21 Ca 0.30 2.78 -0.13 0.00 0.18 0.00 0.00 52.55 55.68 1ypl s ASP 21 Cb 0.05 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.50 1ypl s ASP 21 CO 0.08 -0.94 1.14 0.00 1.18 0.00 0.00 175.17 176.63 1ypl s ALA 22 N 1.49 2.17 0.53 5.23 0.00 0.26 -4.78 121.76 126.66 1ypl s ALA 22 Ca 0.75 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 1ypl s ALA 22 Cb -0.47 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.21 1ypl s ALA 22 CO 0.33 -1.78 0.93 -1.21 0.00 0.00 0.00 175.76 174.02 1ypl s GLU 23 N -4.27 3.74 0.21 0.00 2.02 -1.26 -4.95 118.70 114.18 1ypl s GLU 23 Ca 0.68 0.69 -0.32 0.00 0.02 0.00 0.00 54.97 56.04 1ypl s GLU 23 Cb -0.23 -2.20 -0.12 0.00 0.10 0.00 0.00 34.13 31.68 1ypl s GLU 23 CO 0.48 -0.32 1.68 -0.89 0.02 0.00 0.00 175.26 176.23 1ypl n ILE 24 N -2.03 0.09 -1.09 -1.63 2.08 -1.26 -2.36 119.36 113.16 1ypl n ILE 24 Ca 0.05 -0.02 -0.03 0.00 0.56 0.00 0.00 62.75 63.30 1ypl n ILE 24 Cb 0.54 -1.90 -0.01 0.00 -0.75 0.00 0.00 39.64 37.52 1ypl n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ypl n GLY 25 N 3.71 0.48 0.24 7.39 0.00 -1.26 -4.89 105.19 110.86 1ypl n GLY 25 Ca 0.16 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1ypl n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ypl h MET 26 N 0.30 0.00 -1.60 1.61 -1.53 -1.84 -3.35 114.93 108.51 1ypl h MET 26 Ca -0.06 0.00 -0.47 0.00 -3.44 0.00 0.00 59.70 55.72 1ypl h MET 26 Cb 0.66 0.00 -0.34 0.00 -0.55 0.00 0.00 31.60 31.37 1ypl h MET 26 CO 0.09 0.11 -1.01 0.45 0.14 0.00 0.00 176.91 176.70 1ypl n SER 27 N -3.21 -0.24 0.00 1.39 2.88 -1.26 -4.99 113.62 108.19 1ypl n SER 27 Ca 0.01 -2.93 0.07 0.00 -1.33 0.00 0.00 58.87 54.70 1ypl n SER 27 Cb 0.41 -0.13 0.35 0.00 -0.75 0.00 0.00 64.21 64.10 1ypl n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ypl n PRO 28 N 1.08 0.10 0.00 -1.46 -0.04 -1.26 -0.96 135.00 132.46 1ypl n PRO 28 Ca 0.19 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1ypl n PRO 28 Cb 0.59 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.99 1ypl n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ypl n TRP 29 N -1.40 0.00 -1.99 0.54 2.14 -0.92 -1.81 117.44 113.99 1ypl n TRP 29 Ca 0.05 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.20 1ypl n TRP 29 Cb 0.15 -0.09 -0.03 0.00 -0.81 0.00 0.00 31.31 30.53 1ypl n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ypl s GLN 30 N -2.34 4.24 0.03 -2.67 2.00 -0.13 -0.15 119.66 120.63 1ypl s GLN 30 Ca 0.29 2.28 0.08 0.00 -2.00 0.00 0.00 55.36 56.01 1ypl s GLN 30 Cb 0.20 -3.24 -0.02 0.00 0.80 0.00 0.00 33.01 30.74 1ypl s GLN 30 CO 0.46 -0.58 -0.23 0.08 -0.50 0.00 0.00 175.29 174.52 1ypl s VAL 31 N 1.35 1.81 -0.20 1.34 1.01 -0.55 -4.13 120.40 121.02 1ypl s VAL 31 Ca 0.69 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1ypl s VAL 31 Cb -0.41 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1ypl s VAL 31 CO 0.31 0.33 -0.04 -0.32 0.00 0.00 0.00 175.10 175.38 1ypl s MET 32 N -0.99 3.44 -0.19 2.72 1.75 -0.62 -1.73 119.30 123.69 1ypl s MET 32 Ca 0.09 -0.60 -0.20 0.00 -1.25 0.00 0.00 55.69 53.73 1ypl s MET 32 Cb -0.09 -2.99 -0.03 0.00 2.84 0.00 0.00 34.83 34.56 1ypl s MET 32 CO 0.01 -0.09 0.59 -0.51 -0.65 0.00 0.00 175.02 174.37 1ypl s LEU 33 N 1.22 4.16 -0.10 4.11 1.43 -0.20 -0.05 118.68 129.26 1ypl s LEU 33 Ca 0.03 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 1ypl s LEU 33 Cb -0.14 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.25 1ypl s LEU 33 CO -0.01 -0.22 -0.15 0.12 0.23 0.00 0.00 176.35 176.32 1ypl s PHE 34 N 1.71 1.89 0.22 0.29 5.36 -0.23 -0.30 117.98 126.91 1ypl s PHE 34 Ca 0.28 -0.85 -0.30 0.00 -0.96 0.00 0.00 56.93 55.10 1ypl s PHE 34 Cb -0.16 -1.36 -0.09 0.00 -0.34 0.00 0.00 43.02 41.07 1ypl s PHE 34 CO 0.10 -0.44 1.18 0.50 -1.46 0.00 0.00 175.22 175.11 1ypl s ARG 35 N 0.92 4.52 -0.02 10.12 3.52 0.12 -0.88 118.95 137.24 1ypl s ARG 35 Ca -0.08 1.88 -0.16 0.00 -0.13 0.00 0.00 55.73 57.23 1ypl s ARG 35 Cb -0.15 -3.22 -0.09 0.00 -1.56 0.00 0.00 34.95 29.93 1ypl s ARG 35 CO -0.00 -0.03 0.74 0.87 -0.81 0.00 0.00 175.30 176.07 1ypl h LYS 36 N 4.80 -0.57 -4.00 5.12 1.57 -1.70 -2.41 116.57 119.37 1ypl h LYS 36 Ca -0.45 0.04 -0.49 0.00 -1.87 0.00 0.00 60.65 57.88 1ypl h LYS 36 Cb 1.21 0.13 -0.37 0.00 0.08 0.00 0.00 32.23 33.28 1ypl h LYS 36 CO 0.72 -0.38 -0.79 0.45 -0.57 0.00 0.00 179.45 178.88 1ypl s SER 36 N -4.48 1.92 0.29 0.86 0.15 -1.26 -1.90 113.70 109.27 1ypl s SER 36 Ca -0.09 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.07 1ypl s SER 36 Cb 0.01 -0.67 -0.09 0.00 -1.71 0.00 0.00 66.02 63.56 1ypl s SER 36 CO 0.26 -0.15 1.09 -2.16 1.20 0.00 0.00 173.24 173.47 1ypl s PRO 37 N 1.81 4.62 -0.67 5.44 0.04 -1.26 -5.04 135.00 139.94 1ypl s PRO 37 Ca 0.05 1.76 -0.25 0.00 0.04 0.00 0.00 61.00 62.60 1ypl s PRO 37 Cb -0.12 -3.14 -0.12 0.00 0.04 0.00 0.00 34.50 31.15 1ypl s PRO 37 CO -0.07 0.20 2.43 1.04 0.04 0.00 0.00 177.00 180.64 1ypl n GLN 38 N 1.11 0.72 -3.87 4.56 1.13 -0.80 -4.62 117.38 115.62 1ypl n GLN 38 Ca -0.01 -0.30 -0.09 0.00 -1.94 0.00 0.00 57.00 54.66 1ypl n GLN 38 Cb 0.45 -3.22 -0.05 0.00 0.11 0.00 0.00 30.24 27.53 1ypl n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1ypl s GLU 39 N 8.50 1.28 -0.00 -1.09 -1.05 -0.91 -4.93 118.70 120.50 1ypl s GLU 39 Ca 1.02 -1.04 -0.30 0.00 -0.15 0.00 0.00 54.97 54.49 1ypl s GLU 39 Cb -0.29 0.45 -0.06 0.00 -0.44 0.00 0.00 34.13 33.78 1ypl s GLU 39 CO 0.24 -0.51 1.55 -1.17 0.95 0.00 0.00 175.26 176.32 1ypl s LEU 40 N -2.93 4.33 -0.25 1.83 2.96 -1.26 0.12 118.68 123.47 1ypl s LEU 40 Ca 0.14 2.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.31 1ypl s LEU 40 Cb 0.01 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.98 1ypl s LEU 40 CO -0.01 -0.83 -0.21 0.18 -1.32 0.00 0.00 176.35 174.16 1ypl n LEU 41 N 6.01 2.91 -3.79 -0.68 4.77 0.58 -4.83 117.00 121.97 1ypl n LEU 41 Ca 0.15 -0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 1ypl n LEU 41 Cb 0.42 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1ypl n LEU 41 CO 0.61 0.92 0.92 0.00 -1.33 0.00 0.00 177.39 178.50 1ypl s GLY 43 N -3.25 1.76 -0.06 0.00 0.00 0.13 -1.03 107.32 104.86 1ypl s GLY 43 Ca 0.19 -1.91 -0.30 0.00 0.00 0.00 0.00 44.72 42.69 1ypl s GLY 43 CO 0.01 -1.42 1.35 0.00 0.00 0.00 0.00 173.10 173.04 1ypl s ALA 44 N -2.88 -2.64 -0.01 3.20 0.00 -0.71 -3.66 121.76 115.06 1ypl s ALA 44 Ca 0.64 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.84 1ypl s ALA 44 Cb -0.06 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1ypl s ALA 44 CO 0.41 -1.16 -0.09 -1.54 0.00 0.00 0.00 175.76 173.39 1ypl s SER 45 N -3.78 1.07 -0.25 0.00 1.04 0.11 -1.49 113.70 110.40 1ypl s SER 45 Ca 0.29 -0.16 -0.21 0.00 0.48 0.00 0.00 55.95 56.34 1ypl s SER 45 Cb 0.01 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 1ypl s SER 45 CO -0.03 0.08 0.67 -0.22 0.98 0.00 0.00 173.24 174.73 1ypl s LEU 46 N -0.02 4.07 -0.01 2.42 2.96 0.79 -0.33 118.68 128.57 1ypl s LEU 46 Ca 0.00 0.78 0.07 0.00 -0.22 0.00 0.00 54.13 54.77 1ypl s LEU 46 Cb -0.06 -2.92 -0.10 0.00 0.50 0.00 0.00 46.19 43.61 1ypl s LEU 46 CO -0.00 -0.39 0.20 2.30 -1.32 0.00 0.00 176.35 177.14 1ypl n ILE 47 N 5.16 0.00 -3.46 6.68 -5.35 -0.59 -1.53 119.36 120.27 1ypl n ILE 47 Ca 0.01 -0.22 -0.03 0.00 -0.27 0.00 0.00 62.75 62.23 1ypl n ILE 47 Cb 0.49 0.55 -0.00 0.00 -1.74 0.00 0.00 39.64 38.94 1ypl n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ypl n SER 48 N -1.56 -0.51 0.00 7.28 3.41 -1.16 -4.68 113.62 116.40 1ypl n SER 48 Ca -0.00 -1.49 0.12 0.00 -0.26 0.00 0.00 58.87 57.24 1ypl n SER 48 Cb 0.16 0.89 0.55 0.00 -0.26 0.00 0.00 64.21 65.56 1ypl n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ypl n ASP 49 N -1.56 0.00 0.00 4.04 3.85 -1.26 -3.52 116.55 118.10 1ypl n ASP 49 Ca -0.01 0.32 0.00 0.00 -0.71 0.00 0.00 54.79 54.38 1ypl n ASP 49 Cb 0.16 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.50 1ypl n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ypl n ARG 50 N -1.43 0.77 -4.55 0.11 5.12 -1.26 -0.75 116.66 114.67 1ypl n ARG 50 Ca 0.08 -0.72 -0.23 0.00 -1.93 0.00 0.00 57.85 55.04 1ypl n ARG 50 Cb 0.26 -0.67 -0.16 0.00 -1.16 0.00 0.00 32.46 30.73 1ypl n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1ypl s TRP 51 N -0.28 1.31 -0.07 -1.55 0.52 -1.23 -0.96 118.94 116.68 1ypl s TRP 51 Ca 0.00 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 55.74 1ypl s TRP 51 Cb 0.00 -0.94 0.00 0.00 -1.15 0.00 0.00 33.47 31.38 1ypl s TRP 51 CO 0.00 -0.20 -0.20 0.08 0.02 0.00 0.00 176.95 176.66 1ypl s VAL 52 N 0.43 1.68 -0.05 4.03 1.01 -0.19 -1.54 120.40 125.77 1ypl s VAL 52 Ca -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1ypl s VAL 52 Cb -0.13 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1ypl s VAL 52 CO 0.02 0.48 0.04 -0.22 0.00 0.00 0.00 175.10 175.42 1ypl s LEU 53 N 0.30 3.74 0.00 3.92 2.96 0.56 -0.71 118.68 129.45 1ypl s LEU 53 Ca -0.13 0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1ypl s LEU 53 Cb -0.16 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.53 1ypl s LEU 53 CO 0.05 0.33 0.47 1.07 -1.32 0.00 0.00 176.35 176.95 1ypl n THR 54 N 1.66 0.00 -3.11 3.68 5.66 -0.09 0.05 114.28 122.13 1ypl n THR 54 Ca -0.16 -1.29 -0.39 0.00 -3.05 0.00 0.00 64.05 59.17 1ypl n THR 54 Cb 0.53 0.88 -0.06 0.00 -1.55 0.00 0.00 70.33 70.13 1ypl n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ypl s ALA 55 N -2.38 3.49 0.35 1.79 0.00 -1.26 -1.20 121.76 122.56 1ypl s ALA 55 Ca 0.21 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.45 1ypl s ALA 55 Cb -0.02 -2.82 0.76 0.00 0.00 0.00 0.00 23.12 21.04 1ypl s ALA 55 CO 0.15 0.34 1.91 0.00 0.00 0.00 0.00 175.76 178.16 1ypl h ALA 56 N 4.23 1.75 0.00 0.00 0.00 -1.71 -2.16 119.26 121.37 1ypl h ALA 56 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ypl h ALA 56 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ypl h ALA 56 CO 0.65 0.07 0.00 -2.39 0.00 0.00 0.00 179.25 177.58 1ypl n HIS 57 N -4.52 0.78 0.19 0.00 1.44 -1.26 -0.49 115.22 111.35 1ypl n HIS 57 Ca 0.14 0.31 0.04 0.00 -2.01 0.00 0.00 57.72 56.21 1ypl n HIS 57 Cb 0.35 -1.00 0.36 0.00 0.12 0.00 0.00 29.99 29.82 1ypl n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ypl n LEU 59 N -3.81 0.00 -3.69 0.00 4.77 -0.10 -4.88 117.00 109.29 1ypl n LEU 59 Ca -0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.75 1ypl n LEU 59 Cb 0.46 0.12 -0.18 0.00 -2.33 0.00 0.00 43.42 41.49 1ypl n LEU 59 CO 0.38 0.12 -0.35 -0.22 -1.33 0.00 0.00 177.39 175.98 1ypl s LEU 60 N -4.18 0.31 0.12 2.23 2.96 0.35 -0.46 118.68 120.01 1ypl s LEU 60 Ca -0.03 -0.04 -0.25 0.00 -0.22 0.00 0.00 54.13 53.59 1ypl s LEU 60 Cb 0.03 -0.24 0.07 0.00 0.50 0.00 0.00 46.19 46.55 1ypl s LEU 60 CO 0.32 -0.24 0.63 -0.47 -1.32 0.00 0.00 176.35 175.27 1ypl s TYR 60 N 2.10 -0.54 0.00 5.38 5.04 0.47 -4.00 117.35 125.80 1ypl s TYR 60 Ca 0.05 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1ypl s TYR 60 Cb -0.13 0.54 0.00 0.00 0.35 0.00 0.00 41.96 42.72 1ypl s TYR 60 CO -0.04 -0.79 0.00 -2.30 -1.34 0.00 0.00 175.55 171.08 1ypl n PRO 60 N -0.18 0.00 -0.39 4.97 -0.02 -1.26 -2.18 135.00 135.94 1ypl n PRO 60 Ca -0.17 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.39 1ypl n PRO 60 Cb 0.64 0.00 0.24 0.00 -0.02 0.00 0.00 33.50 34.35 1ypl n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ypl n TRP 60 N 0.00 0.87 -3.64 6.00 8.01 -1.26 -4.96 117.44 122.47 1ypl n TRP 60 Ca 0.00 -0.71 -0.27 0.00 -1.31 0.00 0.00 57.50 55.20 1ypl n TRP 60 Cb 0.00 -0.21 0.02 0.00 -2.01 0.00 0.00 31.31 29.10 1ypl n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ypl n ASP 60 N 0.05 -4.62 -4.59 -0.99 8.00 -1.09 -4.96 116.55 108.36 1ypl n ASP 60 Ca 0.19 -0.60 -0.37 0.00 0.71 0.00 0.00 54.79 54.71 1ypl n ASP 60 Cb 0.74 -3.73 -0.11 0.00 -0.02 0.00 0.00 41.12 38.00 1ypl n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ypl s LYS 60 N -6.33 3.93 -0.47 -1.24 2.20 -0.93 -5.00 119.74 111.91 1ypl s LYS 60 Ca 0.54 -0.34 0.06 0.00 -0.36 0.00 0.00 55.97 55.87 1ypl s LYS 60 Cb -0.27 -3.52 0.18 0.00 -1.51 0.00 0.00 37.83 32.71 1ypl s LYS 60 CO 0.67 -0.07 0.57 1.21 -0.36 0.00 0.00 175.35 177.38 1ypl s ASN 60 N 1.40 -0.36 0.31 1.43 3.84 -1.24 -0.40 114.94 119.91 1ypl s ASN 60 Ca 0.07 -2.10 -0.28 0.00 0.21 0.00 0.00 52.86 50.75 1ypl s ASN 60 Cb -0.15 1.07 -0.09 0.00 -0.55 0.00 0.00 41.25 41.52 1ypl s ASN 60 CO 0.07 -0.11 1.07 -0.36 -2.79 0.00 0.00 177.10 174.98 1ypl s PHE 60 N 0.70 3.55 0.32 0.43 0.08 0.39 -5.02 117.98 118.44 1ypl s PHE 60 Ca 0.29 1.71 0.07 0.00 0.12 0.00 0.00 56.93 59.12 1ypl s PHE 60 Cb -0.00 -3.21 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 1ypl s PHE 60 CO -0.10 -0.46 0.40 -0.08 -0.10 0.00 0.00 175.22 174.88 1ypl s THR 60 N -1.29 4.02 0.28 0.64 -1.32 -1.26 -4.95 115.64 111.76 1ypl s THR 60 Ca 0.47 -1.12 -0.05 0.00 -1.21 0.00 0.00 61.69 59.78 1ypl s THR 60 Cb -0.29 -3.38 0.40 0.00 -1.51 0.00 0.00 72.50 67.73 1ypl s THR 60 CO 0.37 -0.18 1.58 -0.33 -2.21 0.00 0.00 174.62 173.84 1ypl h GLU 61 N 1.05 0.02 0.00 7.08 3.07 -1.94 -0.85 114.58 123.01 1ypl h GLU 61 Ca -0.46 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1ypl h GLU 61 Cb 1.25 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1ypl h GLU 61 CO 0.55 0.01 0.00 0.09 -1.40 0.00 0.00 179.01 178.26 1ypl n ASN 62 N -5.53 0.00 0.12 1.42 4.13 -1.26 -2.65 115.26 111.50 1ypl n ASN 62 Ca 0.18 -0.37 0.13 0.00 1.68 0.00 0.00 54.58 56.19 1ypl n ASN 62 Cb 0.58 -0.21 0.37 0.00 -1.54 0.00 0.00 39.78 38.98 1ypl n ASN 62 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1ypl h ASP 63 N 0.00 0.00 -5.76 6.41 3.32 -1.54 -3.47 116.42 115.38 1ypl h ASP 63 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 1ypl h ASP 63 Cb 0.20 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.64 1ypl h ASP 63 CO 0.00 0.00 -0.42 -1.48 -1.72 0.00 0.00 179.24 175.62 1ypl s LEU 64 N -4.82 1.47 0.07 1.55 2.34 -1.08 -1.91 118.68 116.30 1ypl s LEU 64 Ca 0.10 -1.64 0.03 0.00 0.06 0.00 0.00 54.13 52.68 1ypl s LEU 64 Cb 0.11 0.79 -0.03 0.00 -0.56 0.00 0.00 46.19 46.50 1ypl s LEU 64 CO 0.61 -1.10 -0.09 -0.76 -1.06 0.00 0.00 176.35 173.95 1ypl s LEU 65 N -3.31 2.34 -0.12 1.48 1.43 -0.06 -4.59 118.68 115.85 1ypl s LEU 65 Ca 0.38 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1ypl s LEU 65 Cb 0.02 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.99 1ypl s LEU 65 CO 0.24 -0.25 -0.02 0.68 0.23 0.00 0.00 176.35 177.23 1ypl s VAL 66 N -2.04 4.10 -0.20 -1.59 -7.23 -0.48 -1.07 120.40 111.89 1ypl s VAL 66 Ca -0.01 -0.30 -0.02 0.00 -1.81 0.00 0.00 61.98 59.83 1ypl s VAL 66 Cb -0.05 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1ypl s VAL 66 CO -0.00 0.55 -0.11 -0.13 -0.31 0.00 0.00 175.10 175.09 1ypl s ARG 67 N -0.25 3.24 0.02 4.82 0.52 0.93 0.04 118.95 128.27 1ypl s ARG 67 Ca 0.05 -0.70 0.06 0.00 -0.52 0.00 0.00 55.73 54.62 1ypl s ARG 67 Cb -0.12 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1ypl s ARG 67 CO 0.02 -0.17 -0.16 0.42 0.02 0.00 0.00 175.30 175.44 1ypl s ILE 68 N 1.32 2.97 0.00 1.52 1.01 0.14 -1.59 121.20 126.57 1ypl s ILE 68 Ca 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1ypl s ILE 68 Cb -0.14 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1ypl s ILE 68 CO -0.06 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1ypl n GLY 69 N 1.64 0.64 3.88 6.18 0.00 -1.26 0.51 105.19 116.78 1ypl n GLY 69 Ca -0.16 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1ypl n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypl s LYS 70 N -0.75 3.72 0.12 1.61 1.02 -1.26 -4.20 119.74 120.00 1ypl s LYS 70 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1ypl s LYS 70 Cb 0.00 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1ypl s LYS 70 CO 0.00 -0.10 0.00 1.58 -0.92 0.00 0.00 175.35 175.91 1ypl n HIS 71 N -1.57 -0.63 -1.90 3.18 -0.00 -1.26 -4.94 115.22 108.10 1ypl n HIS 71 Ca 0.02 0.11 -0.42 0.00 -0.00 0.00 0.00 57.72 57.43 1ypl n HIS 71 Cb 0.54 0.18 -0.03 0.00 -0.00 0.00 0.00 29.99 30.69 1ypl n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ypl s SER 72 N -5.43 6.55 0.04 0.26 0.15 -1.26 -0.36 113.70 113.64 1ypl s SER 72 Ca 0.00 2.69 -0.27 0.00 0.70 0.00 0.00 55.95 59.07 1ypl s SER 72 Cb 0.00 -2.60 -0.17 0.00 -1.71 0.00 0.00 66.02 61.54 1ypl s SER 72 CO 0.00 -0.84 1.44 -0.09 1.20 0.00 0.00 173.24 174.95 1ypl h ARG 73 N 6.40 -0.39 0.01 5.44 2.43 -1.55 -3.37 114.38 123.35 1ypl h ARG 73 Ca -0.43 0.03 -0.33 0.00 -0.81 0.00 0.00 59.98 58.44 1ypl h ARG 73 Cb 1.21 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 1ypl h ARG 73 CO 0.89 -0.14 -1.97 0.25 -1.51 0.00 0.00 179.97 177.50 1ypl n THR 74 N -5.18 1.56 -2.43 0.20 -2.24 -1.26 -5.00 114.28 99.92 1ypl n THR 74 Ca -0.10 -0.79 -0.35 0.00 -2.27 0.00 0.00 64.05 60.54 1ypl n THR 74 Cb 0.24 -0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 67.49 1ypl n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1ypl s ARG 75 N -2.56 3.66 -0.41 -0.78 3.52 -1.26 -4.98 118.95 116.14 1ypl s ARG 75 Ca -0.09 1.48 -0.29 0.00 -0.13 0.00 0.00 55.73 56.70 1ypl s ARG 75 Cb 0.07 -2.10 0.02 0.00 -1.56 0.00 0.00 34.95 31.39 1ypl s ARG 75 CO 0.81 -0.57 1.09 -0.47 -0.81 0.00 0.00 175.30 175.34 1ypl s TYR 76 N -1.87 2.97 -1.05 5.12 5.04 -1.26 -4.91 117.35 121.39 1ypl s TYR 76 Ca 0.69 0.89 -0.15 0.00 -2.44 0.00 0.00 57.07 56.05 1ypl s TYR 76 Cb -0.20 -4.06 0.17 0.00 0.35 0.00 0.00 41.96 38.22 1ypl s TYR 76 CO 0.23 -1.03 1.22 -1.21 -1.34 0.00 0.00 175.55 173.42 1ypl s GLU 77 N 4.03 3.87 0.16 4.97 2.02 -1.26 -4.97 118.70 127.52 1ypl s GLU 77 Ca 0.46 -2.32 -0.34 0.00 0.02 0.00 0.00 54.97 52.79 1ypl s GLU 77 Cb -0.10 -4.89 -0.14 0.00 0.10 0.00 0.00 34.13 29.10 1ypl s GLU 77 CO 0.24 -1.67 1.53 -2.13 0.02 0.00 0.00 175.26 173.26 1ypl n ARG 77 N 5.53 2.04 -0.95 1.61 0.63 -1.26 -1.04 116.66 123.22 1ypl n ARG 77 Ca 0.28 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.95 1ypl n ARG 77 Cb 0.45 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.88 1ypl n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ypl n ASN 78 N 3.19 -3.50 0.08 6.15 4.13 -1.26 -4.76 115.26 119.28 1ypl n ASN 78 Ca 0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1ypl n ASN 78 Cb 0.28 -1.80 0.00 0.00 -1.54 0.00 0.00 39.78 36.72 1ypl n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1ypl n ILE 79 N -2.40 0.80 -1.77 2.41 5.41 -0.51 -5.07 119.36 118.22 1ypl n ILE 79 Ca 0.00 0.26 -0.32 0.00 1.00 0.00 0.00 62.75 63.70 1ypl n ILE 79 Cb 0.19 -1.21 0.03 0.00 -0.71 0.00 0.00 39.64 37.95 1ypl n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ypl s GLU 80 N -1.96 3.15 -0.03 0.38 -1.05 -0.20 -4.73 118.70 114.25 1ypl s GLU 80 Ca 0.00 1.01 0.06 0.00 -0.15 0.00 0.00 54.97 55.89 1ypl s GLU 80 Cb 0.00 -2.02 -0.01 0.00 -0.44 0.00 0.00 34.13 31.66 1ypl s GLU 80 CO 0.00 -0.94 -0.22 0.15 0.95 0.00 0.00 175.26 175.21 1ypl s LYS 81 N -4.73 1.92 -0.19 -4.83 -0.14 0.18 -4.89 119.74 107.06 1ypl s LYS 81 Ca 0.59 -0.78 -0.04 0.00 -1.36 0.00 0.00 55.97 54.38 1ypl s LYS 81 Cb -0.14 -1.78 -0.02 0.00 -1.68 0.00 0.00 37.83 34.21 1ypl s LYS 81 CO 0.48 0.43 -0.03 0.42 -0.76 0.00 0.00 175.35 175.89 1ypl s ILE 82 N -0.38 3.64 0.10 2.17 1.01 -1.26 0.25 121.20 126.73 1ypl s ILE 82 Ca 0.05 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.37 1ypl s ILE 82 Cb -0.10 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1ypl s ILE 82 CO 0.00 0.44 -0.26 -0.44 0.00 0.00 0.00 174.94 174.69 1ypl s SER 83 N 1.03 3.10 0.19 3.58 0.01 0.11 -4.97 113.70 116.75 1ypl s SER 83 Ca 0.01 -0.68 -0.07 0.00 1.31 0.00 0.00 55.95 56.52 1ypl s SER 83 Cb -0.15 -0.23 -0.06 0.00 0.21 0.00 0.00 66.02 65.79 1ypl s SER 83 CO 0.01 0.18 0.46 -0.04 0.41 0.00 0.00 173.24 174.26 1ypl s MET 84 N -1.74 3.70 -0.09 12.44 -1.94 -1.26 -1.39 119.30 129.03 1ypl s MET 84 Ca 0.12 0.08 -0.15 0.00 -1.71 0.00 0.00 55.69 54.02 1ypl s MET 84 Cb -0.10 -2.75 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 1ypl s MET 84 CO 0.04 0.39 0.39 -0.51 -0.01 0.00 0.00 175.02 175.32 1ypl s LEU 85 N -2.77 4.34 -0.12 -0.03 1.43 -1.26 -1.07 118.68 119.20 1ypl s LEU 85 Ca 0.44 0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 54.13 1ypl s LEU 85 Cb -0.12 -2.55 -0.26 0.00 0.03 0.00 0.00 46.19 43.30 1ypl s LEU 85 CO 0.23 0.16 0.54 -0.08 0.23 0.00 0.00 176.35 177.43 1ypl h GLU 86 N 5.91 0.18 -1.90 1.70 4.81 -1.18 -3.44 114.58 120.65 1ypl h GLU 86 Ca -0.45 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.46 1ypl h GLU 86 Cb 1.19 0.11 -0.22 0.00 0.63 0.00 0.00 28.75 30.47 1ypl h GLU 86 CO 0.70 1.14 0.22 0.21 -0.73 0.00 0.00 179.01 180.56 1ypl s LYS 87 N -2.42 0.80 -0.03 1.92 2.47 -1.16 -4.99 119.74 116.34 1ypl s LYS 87 Ca -0.21 0.76 -0.02 0.00 -1.56 0.00 0.00 55.97 54.94 1ypl s LYS 87 Cb 0.04 0.39 -0.04 0.00 -1.46 0.00 0.00 37.83 36.75 1ypl s LYS 87 CO 0.73 -0.14 0.09 0.42 0.16 0.00 0.00 175.35 176.62 1ypl s ILE 88 N 0.01 4.88 -0.21 5.43 1.01 -1.26 -0.91 121.20 130.15 1ypl s ILE 88 Ca -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1ypl s ILE 88 Cb -0.04 -3.21 0.07 0.00 0.01 0.00 0.00 42.46 39.29 1ypl s ILE 88 CO 0.01 0.40 0.08 -0.31 0.00 0.00 0.00 174.94 175.13 1ypl s TYR 89 N -1.17 0.56 -0.10 3.97 1.51 -0.29 -5.01 117.35 116.83 1ypl s TYR 89 Ca 0.22 -0.69 -0.05 0.00 -1.01 0.00 0.00 57.07 55.54 1ypl s TYR 89 Cb -0.12 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1ypl s TYR 89 CO 0.12 -0.63 0.09 0.42 -1.11 0.00 0.00 175.55 174.45 1ypl s ILE 90 N 2.01 5.08 -0.01 2.71 1.01 -1.26 -0.84 121.20 129.91 1ypl s ILE 90 Ca 0.03 0.02 -0.35 0.00 0.00 0.00 0.00 60.65 60.36 1ypl s ILE 90 Cb -0.16 -3.20 -0.13 0.00 0.01 0.00 0.00 42.46 38.97 1ypl s ILE 90 CO -0.16 0.59 1.72 1.57 0.00 0.00 0.00 174.94 178.67 1ypl n HIS 91 N 1.96 2.23 0.32 3.97 -0.00 -1.03 -4.85 115.22 117.80 1ypl n HIS 91 Ca -0.19 0.18 0.20 0.00 0.46 0.00 0.00 57.72 58.38 1ypl n HIS 91 Cb 0.54 -2.58 1.02 0.00 -0.12 0.00 0.00 29.99 28.85 1ypl n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ypl h PRO 92 N 7.55 0.00 -0.57 1.57 0.13 -1.94 -1.35 132.00 137.39 1ypl h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ypl h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ypl h PRO 92 CO 0.92 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 179.23 1ypl n ARG 93 N -3.13 2.90 -1.65 0.86 1.74 -1.26 -5.01 116.66 111.10 1ypl n ARG 93 Ca -0.02 -2.47 -0.50 0.00 -0.77 0.00 0.00 57.85 54.09 1ypl n ARG 93 Cb 0.15 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 1ypl n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ypl n TYR 94 N 1.11 2.01 -3.29 -1.55 9.36 -0.51 -4.75 117.16 119.53 1ypl n TYR 94 Ca 0.20 0.38 -0.45 0.00 3.32 0.00 0.00 57.90 61.35 1ypl n TYR 94 Cb 0.59 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 1ypl n TYR 94 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1ypl n ASN 95 N 3.99 5.56 0.05 2.98 2.85 0.80 -4.82 115.26 126.68 1ypl n ASN 95 Ca 0.20 -3.06 0.12 0.00 -0.11 0.00 0.00 54.58 51.73 1ypl n ASN 95 Cb 0.23 -1.39 0.49 0.00 1.24 0.00 0.00 39.78 40.36 1ypl n ASN 95 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1ypl n TRP 96 N 2.78 0.41 0.09 1.20 4.27 -1.26 -1.22 117.44 123.71 1ypl n TRP 96 Ca 0.25 0.13 -0.06 0.00 -3.89 0.00 0.00 57.50 53.93 1ypl n TRP 96 Cb 0.39 -0.71 -0.03 0.00 -1.36 0.00 0.00 31.31 29.60 1ypl n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ypl h ARG 97 N 0.00 0.04 0.00 -2.67 3.08 -1.99 -3.44 114.38 109.41 1ypl h ARG 97 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ypl h ARG 97 Cb 0.53 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1ypl h ARG 97 CO 0.00 0.91 0.00 -1.91 -1.07 0.00 0.00 179.97 177.90 1ypl n GLU 97 N -3.52 0.00 -0.26 0.04 2.13 -1.22 -5.00 120.64 112.80 1ypl n GLU 97 Ca -0.01 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.82 1ypl n GLU 97 Cb 0.84 -0.16 0.02 0.00 0.27 0.00 0.00 31.44 32.41 1ypl n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ypl n ASN 98 N -2.82 0.49 -1.83 4.31 0.23 -1.22 -4.99 115.26 109.43 1ypl n ASN 98 Ca 0.00 -1.88 -0.17 0.00 -0.53 0.00 0.00 54.58 52.01 1ypl n ASN 98 Cb 0.00 -0.16 -0.02 0.00 -2.08 0.00 0.00 39.78 37.52 1ypl n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ypl n LEU 99 N -0.24 -1.68 -4.77 -4.53 4.77 -0.35 -4.96 117.00 105.23 1ypl n LEU 99 Ca 0.02 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 1ypl n LEU 99 Cb 0.60 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 1ypl n LEU 99 CO 0.00 -0.30 1.10 -0.67 -1.33 0.00 0.00 177.39 176.20 1ypl n ASP 100 N -1.16 3.61 -3.51 -1.43 2.03 -1.24 -2.13 116.55 112.73 1ypl n ASP 100 Ca -0.20 1.20 -0.18 0.00 0.52 0.00 0.00 54.79 56.13 1ypl n ASP 100 Cb 0.64 -1.61 0.07 0.00 -0.72 0.00 0.00 41.12 39.50 1ypl n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ypl n ARG 101 N 0.28 -6.15 -2.47 -0.67 1.74 -1.26 -0.14 116.66 107.99 1ypl n ARG 101 Ca 0.02 0.78 -0.39 0.00 -0.77 0.00 0.00 57.85 57.50 1ypl n ARG 101 Cb 0.39 -5.67 -0.02 0.00 -1.02 0.00 0.00 32.46 26.14 1ypl n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ypl s ASP 102 N -4.35 6.38 -0.21 0.55 2.15 -0.90 -4.28 116.67 116.00 1ypl s ASP 102 Ca 0.01 -1.91 -0.24 0.00 0.43 0.00 0.00 52.55 50.84 1ypl s ASP 102 Cb -0.00 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.10 1ypl s ASP 102 CO 0.75 -1.64 0.66 -0.51 -0.17 0.00 0.00 175.17 174.27 1ypl s ILE 103 N 5.76 0.00 0.02 4.11 2.07 -1.26 -4.06 121.20 127.84 1ypl s ILE 103 Ca 0.55 -0.01 -0.19 0.00 -1.41 0.00 0.00 60.65 59.58 1ypl s ILE 103 Cb 0.01 -0.93 0.04 0.00 0.13 0.00 0.00 42.46 41.71 1ypl s ILE 103 CO 0.02 -0.01 0.43 0.00 -1.91 0.00 0.00 174.94 173.47 1ypl s ALA 104 N 0.07 -1.07 0.10 1.50 0.00 -0.34 -2.47 121.76 119.56 1ypl s ALA 104 Ca -0.02 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.50 1ypl s ALA 104 Cb -0.04 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1ypl s ALA 104 CO 0.02 -0.39 -0.21 -0.51 0.00 0.00 0.00 175.76 174.67 1ypl s LEU 105 N -1.70 2.56 -0.08 0.00 1.43 -0.02 -0.92 118.68 119.94 1ypl s LEU 105 Ca -0.08 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1ypl s LEU 105 Cb -0.02 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1ypl s LEU 105 CO 0.01 0.19 -0.10 -0.04 0.23 0.00 0.00 176.35 176.65 1ypl s MET 106 N -1.96 1.56 -0.08 1.70 -1.94 0.11 -1.14 119.30 117.55 1ypl s MET 106 Ca 0.16 -0.33 -0.16 0.00 -1.71 0.00 0.00 55.69 53.65 1ypl s MET 106 Cb -0.10 -1.42 -0.05 0.00 2.01 0.00 0.00 34.83 35.27 1ypl s MET 106 CO 0.08 -0.09 0.42 0.21 -0.01 0.00 0.00 175.02 175.63 1ypl s LYS 107 N 1.08 4.18 0.33 2.03 2.20 -0.09 -1.02 119.74 128.45 1ypl s LYS 107 Ca -0.07 0.39 -0.10 0.00 -0.36 0.00 0.00 55.97 55.83 1ypl s LYS 107 Cb -0.14 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.75 1ypl s LYS 107 CO -0.01 0.37 0.67 -0.51 -0.36 0.00 0.00 175.35 175.51 1ypl s LEU 108 N -0.03 3.98 0.25 5.43 1.43 -0.13 -0.74 118.68 128.87 1ypl s LEU 108 Ca 0.24 1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1ypl s LEU 108 Cb -0.15 -3.85 0.29 0.00 0.03 0.00 0.00 46.19 42.51 1ypl s LEU 108 CO 0.10 -0.26 1.73 0.11 0.23 0.00 0.00 176.35 178.26 1ypl h LYS 109 N 1.73 0.80 -4.68 1.70 1.57 -1.40 -3.41 116.57 112.88 1ypl h LYS 109 Ca -0.47 -0.23 -0.26 0.00 -1.87 0.00 0.00 60.65 57.81 1ypl h LYS 109 Cb 1.18 -0.08 -0.18 0.00 0.08 0.00 0.00 32.23 33.23 1ypl h LYS 109 CO 0.65 0.83 -0.72 0.15 -0.57 0.00 0.00 179.45 179.80 1ypl s LYS 110 N -4.92 0.71 0.42 3.15 1.02 -1.26 -5.01 119.74 113.84 1ypl s LYS 110 Ca -0.10 -1.07 -0.25 0.00 0.02 0.00 0.00 55.97 54.58 1ypl s LYS 110 Cb 0.14 -0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 37.07 1ypl s LYS 110 CO 0.82 0.03 1.26 -1.25 -0.92 0.00 0.00 175.35 175.29 1ypl s PRO 111 N -2.71 3.92 0.16 -1.68 0.04 -1.26 -4.82 135.00 128.65 1ypl s PRO 111 Ca 0.02 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.97 1ypl s PRO 111 Cb -0.03 -2.68 -0.07 0.00 0.04 0.00 0.00 34.50 31.77 1ypl s PRO 111 CO -0.02 -0.50 0.56 0.54 0.04 0.00 0.00 177.00 177.63 1ypl s VAL 112 N -1.32 4.84 0.01 -0.36 0.11 0.07 -5.01 120.40 118.74 1ypl s VAL 112 Ca 0.58 0.84 -0.29 0.00 -2.93 0.00 0.00 61.98 60.18 1ypl s VAL 112 Cb -0.36 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 1ypl s VAL 112 CO 0.45 0.21 0.93 0.00 -3.33 0.00 0.00 175.10 173.36 1ypl s ALA 113 N -1.50 3.21 0.51 1.54 0.00 -1.26 -4.84 121.76 119.43 1ypl s ALA 113 Ca 0.39 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 1ypl s ALA 113 Cb -0.15 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1ypl s ALA 113 CO 0.19 -0.16 1.07 -0.06 0.00 0.00 0.00 175.76 176.81 1ypl s PHE 114 N 0.72 2.89 0.23 0.00 0.08 -1.26 -4.87 117.98 115.77 1ypl s PHE 114 Ca 0.48 1.56 -0.05 0.00 0.12 0.00 0.00 56.93 59.04 1ypl s PHE 114 Cb -0.21 -3.13 0.02 0.00 -0.57 0.00 0.00 43.02 39.13 1ypl s PHE 114 CO 0.27 -1.08 0.39 -1.13 -0.10 0.00 0.00 175.22 173.56 1ypl n SER 115 N -1.16 -1.12 0.24 1.36 3.41 -0.35 -4.95 113.62 111.06 1ypl n SER 115 Ca 0.10 -2.05 0.18 0.00 -0.26 0.00 0.00 58.87 56.84 1ypl n SER 115 Cb 0.52 1.94 0.87 0.00 -0.26 0.00 0.00 64.21 67.29 1ypl n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ypl h ASP 116 N 1.19 0.00 0.00 4.04 3.32 -1.99 -2.88 116.42 120.11 1ypl h ASP 116 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ypl h ASP 116 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1ypl h ASP 116 CO 0.24 0.00 -0.77 -1.22 -1.72 0.00 0.00 179.24 175.77 1ypl n TYR 117 N -3.60 0.00 -3.92 4.55 4.01 -1.26 -4.77 117.16 112.18 1ypl n TYR 117 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 1ypl n TYR 117 Cb 0.31 -0.04 -0.16 0.00 -0.31 0.00 0.00 39.34 39.13 1ypl n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ypl s ILE 118 N -2.37 1.27 -0.27 -0.72 1.01 -1.09 -4.16 121.20 114.87 1ypl s ILE 118 Ca 0.04 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 1ypl s ILE 118 Cb 0.10 -1.44 0.09 0.00 0.01 0.00 0.00 42.46 41.21 1ypl s ILE 118 CO 0.56 0.10 0.80 -2.28 0.00 0.00 0.00 174.94 174.12 1ypl s HIS 119 N 1.56 -0.73 0.44 3.97 2.46 -0.75 -1.21 115.29 121.03 1ypl s HIS 119 Ca -0.01 1.73 -0.22 0.00 0.47 0.00 0.00 55.06 57.04 1ypl s HIS 119 Cb -0.16 0.33 -0.09 0.00 -0.13 0.00 0.00 32.58 32.53 1ypl s HIS 119 CO -0.08 -0.35 1.03 -1.25 -2.47 0.00 0.00 174.74 171.62 1ypl s PRO 120 N 0.50 4.00 0.27 2.88 0.04 -1.26 -2.17 135.00 139.27 1ypl s PRO 120 Ca -0.01 1.40 -0.10 0.00 0.04 0.00 0.00 61.00 62.34 1ypl s PRO 120 Cb -0.05 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 1ypl s PRO 120 CO -0.03 -0.26 0.60 0.54 0.04 0.00 0.00 177.00 177.88 1ypl s VAL 121 N -1.86 4.90 0.57 -0.36 0.11 -0.58 -4.92 120.40 118.25 1ypl s VAL 121 Ca 0.63 0.49 -0.14 0.00 -2.93 0.00 0.00 61.98 60.02 1ypl s VAL 121 Cb -0.18 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 1ypl s VAL 121 CO 0.22 -0.18 1.01 0.00 -3.33 0.00 0.00 175.10 172.83 1ypl s LEU 123 N -4.62 4.03 0.38 0.00 1.43 -1.26 -1.20 118.68 117.44 1ypl s LEU 123 Ca 0.58 0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.67 1ypl s LEU 123 Cb -0.11 -2.42 -0.10 0.00 0.03 0.00 0.00 46.19 43.59 1ypl s LEU 123 CO 0.42 0.25 0.88 -2.16 0.23 0.00 0.00 176.35 175.97 1ypl s PRO 124 N -1.89 4.20 0.50 1.29 0.04 -1.26 -4.94 135.00 132.94 1ypl s PRO 124 Ca 0.25 1.01 0.09 0.00 0.04 0.00 0.00 61.00 62.39 1ypl s PRO 124 Cb -0.12 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 32.12 1ypl s PRO 124 CO 0.17 0.07 0.65 0.16 0.04 0.00 0.00 177.00 178.09 1ypl s ASP 125 N -2.13 5.27 0.28 6.66 1.47 -1.26 -4.84 116.67 122.13 1ypl s ASP 125 Ca 0.58 -0.71 0.02 0.00 1.18 0.00 0.00 52.55 53.62 1ypl s ASP 125 Cb -0.11 -0.11 0.65 0.00 -0.34 0.00 0.00 42.92 43.01 1ypl s ASP 125 CO 0.16 -1.06 1.72 -0.09 0.68 0.00 0.00 175.17 176.58 1ypl h ARG 126 N 0.45 0.47 -0.17 2.11 2.43 -1.97 -1.36 114.38 116.35 1ypl h ARG 126 Ca -0.35 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 58.61 1ypl h ARG 126 Cb 1.28 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1ypl h ARG 126 CO 0.45 0.31 -0.65 0.93 -1.51 0.00 0.00 179.97 179.50 1ypl h GLU 127 N 0.48 0.63 -0.17 0.20 5.08 -2.03 0.17 114.58 118.94 1ypl h GLU 127 Ca 0.52 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1ypl h GLU 127 Cb 0.90 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ypl h GLU 127 CO -0.46 1.07 0.00 2.41 -1.00 0.00 0.00 179.01 181.03 1ypl n THR 128 N -3.93 0.00 0.00 1.13 -1.04 -0.51 -1.04 114.28 108.89 1ypl n THR 128 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1ypl n THR 128 Cb 0.67 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1ypl n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ypl n ALA 129 N 0.44 0.00 0.07 2.41 0.00 0.59 -1.05 120.51 122.98 1ypl n ALA 129 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ypl n ALA 129 Cb 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.39 1ypl n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ypl h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.33 -3.38 113.55 113.48 1ypl h SER 129 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1ypl h SER 129 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1ypl h SER 129 CO 0.00 0.90 -2.00 0.18 -0.87 0.00 0.00 176.83 175.04 1ypl n LEU 129 N -3.32 0.00 -3.67 5.97 4.77 -0.21 -4.71 117.00 115.84 1ypl n LEU 129 Ca -0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1ypl n LEU 129 Cb 0.90 0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 42.26 1ypl n LEU 129 CO 0.46 0.28 2.60 -0.11 -1.33 0.00 0.00 177.39 179.28 1ypl n LEU 130 N -2.45 6.31 -4.20 2.23 7.94 -1.26 -4.79 117.00 120.78 1ypl n LEU 130 Ca -0.19 -3.84 -0.28 0.00 -1.11 0.00 0.00 56.01 50.59 1ypl n LEU 130 Cb 0.85 -1.51 -0.16 0.00 0.53 0.00 0.00 43.42 43.13 1ypl n LEU 130 CO 0.34 0.82 -0.53 -1.10 -1.11 0.00 0.00 177.39 175.82 1ypl s GLN 131 N 3.55 1.94 0.02 1.96 -0.21 -1.26 -4.95 119.66 120.72 1ypl s GLN 131 Ca 0.51 -0.73 -0.36 0.00 0.02 0.00 0.00 55.36 54.79 1ypl s GLN 131 Cb 0.14 -1.74 -0.15 0.00 1.00 0.00 0.00 33.01 32.27 1ypl s GLN 131 CO -0.04 0.35 1.56 0.00 -2.12 0.00 0.00 175.29 175.05 1ypl n ALA 132 N 2.89 0.15 0.00 6.09 0.00 -1.26 -1.28 120.51 127.10 1ypl n ALA 132 Ca -0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1ypl n ALA 132 Cb 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1ypl n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ypl n GLY 133 N 3.36 2.65 3.75 0.00 0.00 -0.19 -4.96 105.19 109.80 1ypl n GLY 133 Ca 0.20 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1ypl n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypl s TYR 134 N -2.39 2.93 -0.00 1.61 1.51 -0.41 -4.57 117.35 116.04 1ypl s TYR 134 Ca 0.00 0.96 -0.08 0.00 -1.01 0.00 0.00 57.07 56.95 1ypl s TYR 134 Cb 0.00 -3.89 -0.05 0.00 -0.11 0.00 0.00 41.96 37.91 1ypl s TYR 134 CO 0.00 -2.93 0.28 0.15 -1.11 0.00 0.00 175.55 171.94 1ypl s LYS 135 N -0.46 3.61 0.48 -0.62 1.02 -1.26 -0.73 119.74 121.78 1ypl s LYS 135 Ca 0.60 -0.01 0.05 0.00 0.02 0.00 0.00 55.97 56.63 1ypl s LYS 135 Cb -0.44 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 1ypl s LYS 135 CO 0.45 0.66 0.18 0.20 -0.92 0.00 0.00 175.35 175.92 1ypl s GLY 136 N -1.56 2.58 -0.09 -3.33 0.00 0.24 -4.82 107.32 100.33 1ypl s GLY 136 Ca 0.26 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.66 1ypl s GLY 136 CO 0.14 -2.02 -0.13 -1.60 0.00 0.00 0.00 173.10 169.49 1ypl s ARG 137 N -3.99 1.88 0.00 2.90 3.52 0.16 -0.57 118.95 122.86 1ypl s ARG 137 Ca 0.28 -0.45 0.06 0.00 -0.13 0.00 0.00 55.73 55.49 1ypl s ARG 137 Cb 0.02 -1.62 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 1ypl s ARG 137 CO 0.16 -0.05 -0.19 0.08 -0.81 0.00 0.00 175.30 174.49 1ypl s VAL 138 N 0.94 2.69 0.04 7.11 1.01 -0.29 -0.13 120.40 131.77 1ypl s VAL 138 Ca -0.09 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1ypl s VAL 138 Cb -0.15 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1ypl s VAL 138 CO 0.00 0.46 -0.07 0.42 0.00 0.00 0.00 175.10 175.91 1ypl s THR 139 N -0.80 0.49 0.00 3.92 -4.23 -1.24 -1.43 115.64 112.35 1ypl s THR 139 Ca 0.13 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1ypl s THR 139 Cb -0.10 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.14 1ypl s THR 139 CO 0.02 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1ypl n GLY 140 N 1.43 -0.09 1.05 3.99 0.00 -0.70 -4.54 105.19 106.32 1ypl n GLY 140 Ca -0.23 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 44.92 1ypl n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ypl n TRP 141 N -0.17 1.05 -0.96 1.61 8.01 -1.26 -1.68 117.44 124.04 1ypl n TRP 141 Ca 0.00 -0.75 -0.30 0.00 -1.31 0.00 0.00 57.50 55.14 1ypl n TRP 141 Cb 0.00 -0.27 0.26 0.00 -2.01 0.00 0.00 31.31 29.29 1ypl n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ypl s GLY 142 N -1.47 1.56 0.44 6.99 0.00 -1.26 -4.49 107.32 109.10 1ypl s GLY 142 Ca 0.41 -1.02 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 1ypl s GLY 142 CO 0.13 -0.07 1.32 0.70 0.00 0.00 0.00 173.10 175.18 1ypl n ASN 143 N -4.99 2.77 0.04 1.64 3.02 -0.18 -3.16 115.26 114.39 1ypl n ASN 143 Ca 0.14 1.10 0.13 0.00 -0.03 0.00 0.00 54.58 55.92 1ypl n ASN 143 Cb 0.60 -1.54 0.43 0.00 -0.61 0.00 0.00 39.78 38.67 1ypl n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ypl n LEU 144 N -0.03 0.41 -3.86 3.41 4.77 0.49 -0.96 117.00 121.23 1ypl n LEU 144 Ca 0.07 0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 56.33 1ypl n LEU 144 Cb 0.41 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 1ypl n LEU 144 CO 0.58 -0.04 -0.19 -0.54 -1.33 0.00 0.00 177.39 175.87 1ypl s LYS 145 N -3.05 0.35 0.20 3.23 1.02 -1.26 -4.18 119.74 116.05 1ypl s LYS 145 Ca 0.11 -0.17 -0.10 0.00 0.02 0.00 0.00 55.97 55.83 1ypl s LYS 145 Cb 0.16 0.15 0.12 0.00 -0.52 0.00 0.00 37.83 37.74 1ypl s LYS 145 CO 0.61 -0.07 1.77 1.49 -0.92 0.00 0.00 175.35 178.22 1ypl h GLU 146 N 4.95 1.05 -1.92 1.68 4.81 -1.90 -3.48 114.58 119.78 1ypl h GLU 146 Ca -0.29 -0.18 -0.47 0.00 -0.13 0.00 0.00 59.36 58.30 1ypl h GLU 146 Cb 1.20 -0.18 -0.40 0.00 0.63 0.00 0.00 28.75 30.00 1ypl h GLU 146 CO 0.41 0.85 -1.18 2.41 -0.73 0.00 0.00 179.01 180.76 1ypl n THR 147 N -4.39 0.04 0.19 0.32 -1.04 -1.26 -4.96 114.28 103.17 1ypl n THR 147 Ca 0.06 -4.48 0.00 0.00 -2.04 0.00 0.00 64.05 57.59 1ypl n THR 147 Cb 0.16 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1ypl n THR 147 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ypl n GLY 150 N 0.23 -1.73 3.63 3.41 0.00 -1.26 -5.14 105.19 104.33 1ypl n GLY 150 Ca 0.24 0.42 -0.35 0.00 0.00 0.00 0.00 46.02 46.33 1ypl n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ypl s GLN 151 N -1.99 3.97 0.47 1.61 -1.52 -1.26 0.19 119.66 121.12 1ypl s GLN 151 Ca 0.00 -0.34 -0.14 0.00 -1.95 0.00 0.00 55.36 52.94 1ypl s GLN 151 Cb 0.00 -3.30 -0.07 0.00 -0.22 0.00 0.00 33.01 29.42 1ypl s GLN 151 CO 0.00 0.19 0.89 -1.25 -0.25 0.00 0.00 175.29 174.87 1ypl s PRO 152 N 0.61 3.86 -0.09 2.91 0.04 -1.26 -4.94 135.00 136.13 1ypl s PRO 152 Ca 0.04 0.73 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 1ypl s PRO 152 Cb -0.13 -2.25 -0.23 0.00 0.04 0.00 0.00 34.50 31.93 1ypl s PRO 152 CO 0.01 -0.18 0.97 1.03 0.04 0.00 0.00 177.00 178.88 1ypl h SER 153 N 1.01 -0.00 -1.84 6.66 0.87 -1.97 -3.43 113.55 114.86 1ypl h SER 153 Ca -0.47 -0.78 -0.61 0.00 -1.23 0.00 0.00 61.79 58.71 1ypl h SER 153 Cb 1.19 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.02 1ypl h SER 153 CO 0.62 0.78 -0.59 0.68 -0.53 0.00 0.00 176.83 177.79 1ypl s VAL 154 N -3.07 1.76 0.17 2.23 -7.23 -1.26 -1.54 120.40 111.46 1ypl s VAL 154 Ca -0.18 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 57.67 1ypl s VAL 154 Cb -0.01 -2.88 -0.16 0.00 0.56 0.00 0.00 36.38 33.89 1ypl s VAL 154 CO 0.68 0.00 1.06 -0.11 -0.31 0.00 0.00 175.10 176.41 1ypl n LEU 155 N -0.95 1.04 -4.65 1.32 7.94 0.51 -4.83 117.00 117.38 1ypl n LEU 155 Ca -0.06 1.15 -0.29 0.00 -1.11 0.00 0.00 56.01 55.69 1ypl n LEU 155 Cb 0.67 -1.16 -0.08 0.00 0.53 0.00 0.00 43.42 43.38 1ypl n LEU 155 CO 0.47 -1.59 -0.36 -1.10 -1.11 0.00 0.00 177.39 173.70 1ypl s GLN 156 N -0.53 2.40 0.04 1.96 -1.52 -0.67 -0.57 119.66 120.76 1ypl s GLN 156 Ca 0.72 -0.93 0.03 0.00 -1.95 0.00 0.00 55.36 53.23 1ypl s GLN 156 Cb -0.89 -2.44 -0.02 0.00 -0.22 0.00 0.00 33.01 29.43 1ypl s GLN 156 CO 0.54 0.52 -0.09 0.54 -0.25 0.00 0.00 175.29 176.55 1ypl s VAL 157 N -1.34 0.62 -0.20 1.09 0.11 0.61 -1.72 120.40 119.58 1ypl s VAL 157 Ca 0.25 -1.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.06 1ypl s VAL 157 Cb -0.11 -0.67 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1ypl s VAL 157 CO 0.17 -0.34 0.51 0.54 -3.33 0.00 0.00 175.10 172.64 1ypl s VAL 158 N -1.33 -0.01 -0.06 2.04 0.11 -0.51 -1.02 120.40 119.62 1ypl s VAL 158 Ca -0.08 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.88 1ypl s VAL 158 Cb -0.10 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1ypl s VAL 158 CO 0.01 0.01 0.29 0.20 -3.33 0.00 0.00 175.10 172.28 1ypl s ASN 159 N 0.79 6.61 -0.06 3.54 0.01 -1.26 -1.14 114.94 123.43 1ypl s ASN 159 Ca -0.04 0.73 -0.04 0.00 -0.71 0.00 0.00 52.86 52.80 1ypl s ASN 159 Cb -0.05 -2.18 0.03 0.00 0.41 0.00 0.00 41.25 39.46 1ypl s ASN 159 CO -0.06 0.33 0.15 -0.76 -1.51 0.00 0.00 177.10 175.26 1ypl s LEU 160 N -0.90 1.09 0.28 0.60 1.43 0.27 -4.97 118.68 116.47 1ypl s LEU 160 Ca 0.20 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 1ypl s LEU 160 Cb -0.15 0.46 -0.09 0.00 0.03 0.00 0.00 46.19 46.45 1ypl s LEU 160 CO 0.09 -0.10 1.05 -2.16 0.23 0.00 0.00 176.35 175.47 1ypl s PRO 161 N 0.59 4.68 0.28 1.29 0.04 -1.26 -0.60 135.00 140.01 1ypl s PRO 161 Ca -0.04 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1ypl s PRO 161 Cb -0.06 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 1ypl s PRO 161 CO -0.03 0.28 1.38 0.42 0.04 0.00 0.00 177.00 179.09 1ypl s ILE 162 N -1.19 2.72 0.06 0.56 1.01 0.09 -1.00 121.20 123.45 1ypl s ILE 162 Ca 0.44 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.76 1ypl s ILE 162 Cb -0.30 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1ypl s ILE 162 CO 0.38 0.12 0.10 -0.69 0.00 0.00 0.00 174.94 174.86 1ypl s VAL 163 N -0.43 4.73 0.26 2.92 1.01 0.41 -1.02 120.40 128.28 1ypl s VAL 163 Ca 0.55 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1ypl s VAL 163 Cb -0.41 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 1ypl s VAL 163 CO 0.47 0.16 1.34 -0.62 0.00 0.00 0.00 175.10 176.46 1ypl n GLU 164 N 0.54 1.98 -0.11 2.72 4.71 -1.26 -4.65 120.64 124.57 1ypl n GLU 164 Ca -0.09 0.70 -0.05 0.00 -0.01 0.00 0.00 57.16 57.71 1ypl n GLU 164 Cb 0.52 -2.32 0.02 0.00 -1.01 0.00 0.00 31.44 28.65 1ypl n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1ypl h ARG 165 N 3.64 0.16 -0.26 3.49 9.65 -1.97 -0.64 114.38 128.44 1ypl h ARG 165 Ca -0.45 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.39 1ypl h ARG 165 Cb 1.28 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1ypl h ARG 165 CO 0.71 0.10 0.04 -1.35 2.80 0.00 0.00 179.97 182.28 1ypl h PRO 166 N 0.16 0.38 -0.38 0.20 0.11 -2.00 -1.65 132.00 128.82 1ypl h PRO 166 Ca 0.18 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 1ypl h PRO 166 Cb 0.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1ypl h PRO 166 CO -0.26 0.38 -0.23 0.28 -0.21 0.00 0.00 178.00 177.96 1ypl h VAL 167 N 0.38 1.28 -0.05 3.15 2.07 -1.53 -1.77 116.25 119.77 1ypl h VAL 167 Ca 0.09 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1ypl h VAL 167 Cb 0.19 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1ypl h VAL 167 CO 0.00 0.46 -0.19 0.00 0.02 0.00 0.00 177.57 177.86 1ypl h LYS 169 N -0.28 0.34 0.00 0.00 3.64 -1.13 -2.35 116.57 116.79 1ypl h LYS 169 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ypl h LYS 169 Cb 0.38 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1ypl h LYS 169 CO -0.22 0.23 0.00 -0.25 -2.27 0.00 0.00 179.45 176.94 1ypl n ASP 170 N -5.01 0.45 -0.06 4.20 8.00 -0.68 -2.91 116.55 120.53 1ypl n ASP 170 Ca 0.06 0.57 0.13 0.00 0.71 0.00 0.00 54.79 56.26 1ypl n ASP 170 Cb 0.22 -0.68 0.47 0.00 -0.02 0.00 0.00 41.12 41.11 1ypl n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ypl n SER 171 N -1.95 0.42 -3.82 -2.24 3.41 -0.82 -4.94 113.62 103.67 1ypl n SER 171 Ca 0.05 -0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.33 1ypl n SER 171 Cb 0.31 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 1ypl n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ypl s THR 172 N -2.78 0.11 -0.88 6.66 -1.32 -1.15 -4.84 115.64 111.44 1ypl s THR 172 Ca 0.19 -1.07 0.23 0.00 -1.21 0.00 0.00 61.69 59.83 1ypl s THR 172 Cb 0.19 -1.39 -0.09 0.00 -1.51 0.00 0.00 72.50 69.70 1ypl s THR 172 CO 0.57 -0.51 1.16 0.54 -2.21 0.00 0.00 174.62 174.17 1ypl n ARG 173 N -0.13 0.09 -2.18 7.08 1.74 -1.26 -4.92 116.66 117.08 1ypl n ARG 173 Ca -0.14 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.58 1ypl n ARG 173 Cb 0.63 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.55 1ypl n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ypl s ILE 174 N -3.06 2.97 -0.27 0.55 -1.09 -1.26 -4.97 121.20 114.07 1ypl s ILE 174 Ca 0.08 0.65 -0.28 0.00 -2.23 0.00 0.00 60.65 58.87 1ypl s ILE 174 Cb 0.16 -3.28 0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1ypl s ILE 174 CO 0.77 -0.09 0.98 -0.60 -1.23 0.00 0.00 174.94 174.78 1ypl s ARG 175 N -3.11 4.15 0.05 2.79 3.52 -1.26 -5.02 118.95 120.06 1ypl s ARG 175 Ca 0.71 1.10 -0.25 0.00 -0.13 0.00 0.00 55.73 57.16 1ypl s ARG 175 Cb -0.27 -3.68 -0.06 0.00 -1.56 0.00 0.00 34.95 29.38 1ypl s ARG 175 CO 0.31 -0.70 0.77 0.42 -0.81 0.00 0.00 175.30 175.29 1ypl s ILE 176 N 3.25 4.71 0.44 4.11 -1.09 -1.26 -4.91 121.20 126.46 1ypl s ILE 176 Ca 0.41 1.63 0.07 0.00 -2.23 0.00 0.00 60.65 60.53 1ypl s ILE 176 Cb -0.14 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1ypl s ILE 176 CO 0.10 0.37 0.22 0.42 -1.23 0.00 0.00 174.94 174.82 1ypl s THR 177 N -0.11 2.14 -0.66 2.92 -4.23 -1.26 -5.00 115.64 109.44 1ypl s THR 177 Ca 0.38 -1.65 0.19 0.00 -1.18 0.00 0.00 61.69 59.43 1ypl s THR 177 Cb -0.21 -2.80 0.19 0.00 1.34 0.00 0.00 72.50 71.03 1ypl s THR 177 CO 0.23 0.00 1.60 0.47 -0.54 0.00 0.00 174.62 176.38 1ypl n ASP 178 N -1.35 0.41 -0.44 3.99 8.00 -1.26 -2.00 116.55 123.90 1ypl n ASP 178 Ca -0.02 0.61 0.03 0.00 0.71 0.00 0.00 54.79 56.12 1ypl n ASP 178 Cb 0.64 -0.69 0.10 0.00 -0.02 0.00 0.00 41.12 41.15 1ypl n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ypl n ASN 179 N -1.96 1.26 -4.26 -2.24 3.02 -1.26 -4.87 115.26 104.95 1ypl n ASN 179 Ca 0.02 -2.02 -0.15 0.00 -0.03 0.00 0.00 54.58 52.40 1ypl n ASN 179 Cb 0.19 -0.18 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 1ypl n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ypl s MET 180 N -1.69 1.08 0.09 3.52 -1.94 -0.85 -0.99 119.30 118.52 1ypl s MET 180 Ca 0.15 -1.44 -0.07 0.00 -1.71 0.00 0.00 55.69 52.61 1ypl s MET 180 Cb 0.08 -0.68 -0.01 0.00 2.01 0.00 0.00 34.83 36.23 1ypl s MET 180 CO 0.09 0.09 0.16 -0.59 -0.01 0.00 0.00 175.02 174.77 1ypl s PHE 181 N -3.21 0.24 0.19 -0.03 -0.12 -0.53 -4.81 117.98 109.71 1ypl s PHE 181 Ca 0.16 -0.68 0.11 0.00 -0.05 0.00 0.00 56.93 56.47 1ypl s PHE 181 Cb 0.02 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1ypl s PHE 181 CO 0.01 -0.53 -0.22 0.00 -0.05 0.00 0.00 175.22 174.43 1ypl s ALA 183 N -1.87 -0.46 0.00 0.00 0.00 -0.77 -0.45 121.76 118.21 1ypl s ALA 183 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1ypl s ALA 183 Cb -0.07 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1ypl s ALA 183 CO 0.09 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1ypl n GLY 184 N 0.77 3.82 3.84 0.00 0.00 -0.17 -2.19 105.19 111.26 1ypl n GLY 184 Ca -0.19 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 1ypl n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypl s TYR 184 N -2.00 3.36 0.54 1.61 2.02 -1.26 -4.54 117.35 117.07 1ypl s TYR 184 Ca 0.00 1.31 -0.11 0.00 -0.37 0.00 0.00 57.07 57.90 1ypl s TYR 184 Cb 0.00 -2.61 -0.05 0.00 -0.40 0.00 0.00 41.96 38.90 1ypl s TYR 184 CO 0.00 0.04 0.94 0.15 -1.57 0.00 0.00 175.55 175.11 1ypl s LYS 185 N -3.03 3.69 0.21 -0.62 1.02 -1.26 -4.80 119.74 114.94 1ypl s LYS 185 Ca 0.56 0.64 -0.12 0.00 0.02 0.00 0.00 55.97 57.07 1ypl s LYS 185 Cb -0.10 -2.19 0.27 0.00 -0.52 0.00 0.00 37.83 35.29 1ypl s LYS 185 CO 0.16 -0.36 1.64 -1.35 -0.92 0.00 0.00 175.35 174.52 1ypl h PRO 186 N 0.27 0.04 0.00 -1.68 0.11 -1.95 0.17 132.00 128.96 1ypl h PRO 186 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ypl h PRO 186 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ypl h PRO 186 CO 0.62 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1ypl n ASP 186 N -5.37 0.00 -0.35 -2.05 5.75 -1.26 -2.61 116.55 110.66 1ypl n ASP 186 Ca 0.08 0.22 0.12 0.00 -0.01 0.00 0.00 54.79 55.21 1ypl n ASP 186 Cb 0.35 -0.33 0.24 0.00 -1.03 0.00 0.00 41.12 40.35 1ypl n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ypl n GLU 186 N -1.33 1.01 0.00 0.11 1.02 0.59 -4.95 120.64 117.10 1ypl n GLU 186 Ca 0.04 -0.71 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 1ypl n GLU 186 Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1ypl n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ypl n GLY 186 N 1.37 0.51 3.71 0.62 0.00 -1.07 -4.89 105.19 105.43 1ypl n GLY 186 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1ypl n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypl s LYS 186 N 0.00 1.72 0.39 1.61 1.02 -1.26 -5.04 119.74 118.17 1ypl s LYS 186 Ca 0.00 1.58 0.05 0.00 0.02 0.00 0.00 55.97 57.62 1ypl s LYS 186 Cb 0.00 -1.80 -0.02 0.00 -0.52 0.00 0.00 37.83 35.49 1ypl s LYS 186 CO 0.00 -2.12 0.18 1.03 -0.92 0.00 0.00 175.35 173.52 1ypl s ARG 187 N -4.36 1.91 0.00 1.68 0.52 -1.26 -4.68 118.95 112.76 1ypl s ARG 187 Ca 0.69 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.75 1ypl s ARG 187 Cb -0.25 -0.31 0.00 0.00 0.52 0.00 0.00 34.95 34.92 1ypl s ARG 187 CO 0.52 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.69 1ypl n GLY 188 N -0.85 4.44 3.57 -3.53 0.00 -1.26 -4.91 105.19 102.66 1ypl n GLY 188 Ca -0.02 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.59 1ypl n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ypl s ASP 189 N 0.00 -0.24 0.93 1.61 -1.08 -1.02 -4.63 116.67 112.24 1ypl s ASP 189 Ca 0.00 0.11 -0.12 0.00 -0.52 0.00 0.00 52.55 52.01 1ypl s ASP 189 Cb 0.00 0.23 0.15 0.00 -1.46 0.00 0.00 42.92 41.83 1ypl s ASP 189 CO 0.00 -0.33 1.13 0.00 0.52 0.00 0.00 175.17 176.49 1ypl s ALA 190 N -2.08 1.62 0.28 3.66 0.00 -1.26 -0.10 121.76 123.88 1ypl s ALA 190 Ca 0.05 -0.50 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 1ypl s ALA 190 Cb -0.01 -3.05 0.04 0.00 0.00 0.00 0.00 23.12 20.11 1ypl s ALA 190 CO -0.05 -2.39 0.55 0.00 0.00 0.00 0.00 175.76 173.87 1ypl n GLU 192 N -0.39 0.92 0.00 0.00 2.13 -1.26 -1.75 120.64 120.29 1ypl n GLU 192 Ca -0.06 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1ypl n GLU 192 Cb 0.43 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1ypl n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ypl n GLY 193 N 2.43 2.20 0.18 8.31 0.00 -1.26 -1.01 105.19 116.04 1ypl n GLY 193 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1ypl n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ypl h ASP 194 N 0.00 0.00 -0.75 1.61 3.32 -1.69 -3.30 116.42 115.61 1ypl h ASP 194 Ca 0.00 -0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.48 1ypl h ASP 194 Cb 0.00 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.60 1ypl h ASP 194 CO 0.00 0.00 -0.08 -1.20 -1.72 0.00 0.00 179.24 176.24 1ypl n SER 195 N -2.88 -0.27 0.00 6.45 7.64 -1.26 -1.70 113.62 121.60 1ypl n SER 195 Ca 0.04 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1ypl n SER 195 Cb 0.51 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1ypl n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ypl n GLY 196 N 1.23 1.97 3.88 0.23 0.00 -0.27 0.21 105.19 112.44 1ypl n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1ypl n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ypl s GLY 197 N -1.96 1.59 0.12 -0.02 0.00 -0.69 -2.77 107.32 103.60 1ypl s GLY 197 Ca 0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 44.72 43.94 1ypl s GLY 197 CO 0.00 -0.11 0.60 2.56 0.00 0.00 0.00 173.10 176.16 1ypl s PRO 198 N -5.51 4.18 -0.42 2.90 0.04 -1.26 -0.82 135.00 134.11 1ypl s PRO 198 Ca 0.62 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.24 1ypl s PRO 198 Cb -0.12 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.35 1ypl s PRO 198 CO 0.50 0.55 0.30 0.12 0.04 0.00 0.00 177.00 178.52 1ypl s PHE 199 N -1.27 3.24 0.25 0.56 2.19 0.04 -3.61 117.98 119.38 1ypl s PHE 199 Ca 0.34 -0.72 0.10 0.00 0.33 0.00 0.00 56.93 56.98 1ypl s PHE 199 Cb -0.18 -2.68 -0.05 0.00 -1.31 0.00 0.00 43.02 38.80 1ypl s PHE 199 CO 0.20 -0.64 -0.11 0.14 1.83 0.00 0.00 175.22 176.64 1ypl s VAL 200 N 1.65 2.98 0.02 3.12 -7.23 0.81 -1.21 120.40 120.54 1ypl s VAL 200 Ca 0.04 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1ypl s VAL 200 Cb -0.20 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1ypl s VAL 200 CO 0.09 -0.32 -0.09 -0.04 -0.31 0.00 0.00 175.10 174.43 1ypl s MET 201 N -3.41 0.64 -0.35 4.82 -1.94 -0.47 0.39 119.30 118.98 1ypl s MET 201 Ca 0.29 -0.49 -0.11 0.00 -1.71 0.00 0.00 55.69 53.67 1ypl s MET 201 Cb -0.06 -0.58 0.01 0.00 2.01 0.00 0.00 34.83 36.21 1ypl s MET 201 CO 0.17 0.15 0.19 0.21 -0.01 0.00 0.00 175.02 175.72 1ypl s LYS 202 N -0.73 3.07 0.04 2.03 2.20 -1.26 -1.03 119.74 124.05 1ypl s LYS 202 Ca -0.01 -0.91 -0.33 0.00 -0.36 0.00 0.00 55.97 54.36 1ypl s LYS 202 Cb -0.06 -3.68 -0.12 0.00 -1.51 0.00 0.00 37.83 32.47 1ypl s LYS 202 CO 0.00 -0.58 1.81 0.45 -0.36 0.00 0.00 175.35 176.67 1ypl n SER 203 N 5.00 3.61 0.00 1.43 2.88 0.65 -4.85 113.62 122.33 1ypl n SER 203 Ca -0.13 1.00 0.14 0.00 -1.33 0.00 0.00 58.87 58.55 1ypl n SER 203 Cb 0.47 -1.45 0.68 0.00 -0.75 0.00 0.00 64.21 63.17 1ypl n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ypl n PRO 204 N 5.70 0.23 0.01 -1.46 -0.04 -1.26 -1.30 135.00 136.87 1ypl n PRO 204 Ca 0.20 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.47 1ypl n PRO 204 Cb 0.33 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 1ypl n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ypl h PHE 204 N 0.00 0.39 0.00 0.54 0.04 -1.97 -3.42 116.94 112.52 1ypl h PHE 204 Ca 0.00 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1ypl h PHE 204 Cb 0.38 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1ypl h PHE 204 CO 0.00 1.30 0.00 0.27 -0.60 0.00 0.00 178.31 179.28 1ypl n ASN 204 N -4.21 1.01 -2.77 2.17 0.23 -1.24 -5.01 115.26 105.44 1ypl n ASN 204 Ca -0.16 -1.45 -0.20 0.00 -0.53 0.00 0.00 54.58 52.24 1ypl n ASN 204 Cb 0.76 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.47 1ypl n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ypl n ASN 205 N -0.22 -5.27 -4.66 0.53 4.13 -0.42 -4.99 115.26 104.36 1ypl n ASN 205 Ca 0.00 -0.12 -0.30 0.00 1.68 0.00 0.00 54.58 55.83 1ypl n ASN 205 Cb 0.31 -4.34 -0.09 0.00 -1.54 0.00 0.00 39.78 34.12 1ypl n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ypl s ARG 206 N -5.42 2.46 -0.08 3.52 0.52 -1.25 -4.83 118.95 113.88 1ypl s ARG 206 Ca 0.17 -0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 54.30 1ypl s ARG 206 Cb -0.08 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 1ypl s ARG 206 CO 0.20 0.54 0.61 -1.58 0.02 0.00 0.00 175.30 175.10 1ypl s TRP 207 N -1.25 3.56 -0.06 -0.53 0.52 -1.26 -0.26 118.94 119.66 1ypl s TRP 207 Ca 0.24 1.11 0.05 0.00 0.02 0.00 0.00 56.10 57.53 1ypl s TRP 207 Cb -0.11 -2.70 -0.01 0.00 -1.15 0.00 0.00 33.47 29.50 1ypl s TRP 207 CO 0.16 0.14 -0.23 0.71 0.02 0.00 0.00 176.95 177.75 1ypl s TYR 208 N 0.65 2.30 -0.41 -1.98 2.02 -0.20 -1.71 117.35 118.03 1ypl s TYR 208 Ca 0.33 -0.72 -0.21 0.00 -0.37 0.00 0.00 57.07 56.09 1ypl s TYR 208 Cb -0.17 -1.52 0.02 0.00 -0.40 0.00 0.00 41.96 39.89 1ypl s TYR 208 CO 0.15 -0.24 0.69 -1.14 -1.57 0.00 0.00 175.55 173.45 1ypl s GLN 209 N -0.04 3.48 0.07 -0.62 0.74 -0.34 -1.37 119.66 121.57 1ypl s GLN 209 Ca -0.06 -0.11 0.21 0.00 0.05 0.00 0.00 55.36 55.45 1ypl s GLN 209 Cb -0.14 -3.89 -0.15 0.00 1.10 0.00 0.00 33.01 29.92 1ypl s GLN 209 CO 0.04 -0.94 0.75 -1.33 -0.55 0.00 0.00 175.29 173.26 1ypl n MET 210 N 6.33 0.63 -3.98 1.67 2.81 -0.35 -4.43 117.12 119.81 1ypl n MET 210 Ca -0.00 0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.82 1ypl n MET 210 Cb 0.48 -1.70 -0.08 0.00 -0.71 0.00 0.00 33.22 31.21 1ypl n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ypl s GLY 211 N -4.58 0.53 -0.07 3.03 0.00 -0.95 -1.77 107.32 103.51 1ypl s GLY 211 Ca -0.04 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.75 1ypl s GLY 211 CO 0.84 -0.92 -0.19 -0.42 0.00 0.00 0.00 173.10 172.41 1ypl s ILE 212 N -3.97 1.62 -0.10 0.90 1.01 -0.98 -0.78 121.20 118.90 1ypl s ILE 212 Ca 0.17 -0.78 -0.31 0.00 0.00 0.00 0.00 60.65 59.73 1ypl s ILE 212 Cb 0.04 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 41.01 1ypl s ILE 212 CO -0.01 0.46 2.04 0.52 0.00 0.00 0.00 174.94 177.95 1ypl n VAL 213 N 3.49 0.56 0.03 2.92 0.31 -0.00 -1.21 118.33 124.42 1ypl n VAL 213 Ca -0.20 -0.23 -0.01 0.00 -0.01 0.00 0.00 64.34 63.90 1ypl n VAL 213 Cb 0.52 -2.21 -0.00 0.00 -0.91 0.00 0.00 33.84 31.24 1ypl n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ypl n SER 214 N 8.60 0.85 -3.77 4.52 2.88 -0.91 -1.12 113.62 124.67 1ypl n SER 214 Ca 0.25 0.11 -0.07 0.00 -1.33 0.00 0.00 58.87 57.83 1ypl n SER 214 Cb 0.37 -0.27 -0.02 0.00 -0.75 0.00 0.00 64.21 63.55 1ypl n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ypl s TRP 215 N -2.04 -0.23 0.05 0.66 1.48 -0.96 -4.96 118.94 112.94 1ypl s TRP 215 Ca -0.01 -0.16 -0.28 0.00 -1.06 0.00 0.00 56.10 54.58 1ypl s TRP 215 Cb 0.00 0.67 0.10 0.00 -1.16 0.00 0.00 33.47 33.08 1ypl s TRP 215 CO 0.02 -1.08 1.15 0.20 -4.06 0.00 0.00 176.95 173.19 1ypl s GLY 216 N -2.89 -0.34 -0.38 3.67 0.00 -1.26 -0.49 107.32 105.62 1ypl s GLY 216 Ca 0.10 0.47 -0.06 0.00 0.00 0.00 0.00 44.72 45.23 1ypl s GLY 216 CO 0.03 0.08 0.18 -0.54 0.00 0.00 0.00 173.10 172.85 1ypl s GLU 217 N -2.77 2.46 2.34 2.90 2.02 -1.26 -4.97 118.70 119.42 1ypl s GLU 217 Ca 0.13 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1ypl s GLU 217 Cb 0.02 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1ypl s GLU 217 CO -0.01 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.80 1ypl n GLY 219 N 4.79 -0.29 2.87 -1.39 0.00 -1.26 -4.66 105.19 105.24 1ypl n GLY 219 Ca -0.09 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1ypl n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypl n ASP 221 N 4.28 -5.50 -4.79 0.00 2.03 -1.26 -4.53 116.55 106.78 1ypl n ASP 221 Ca -0.26 -0.37 -0.36 0.00 0.52 0.00 0.00 54.79 54.33 1ypl n ASP 221 Cb 0.51 -4.45 -0.06 0.00 -0.72 0.00 0.00 41.12 36.40 1ypl n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ypl s ARG 221 N -5.90 4.45 0.19 -0.67 0.52 -1.26 -4.96 118.95 111.33 1ypl s ARG 221 Ca 0.38 1.32 -0.31 0.00 -0.52 0.00 0.00 55.73 56.59 1ypl s ARG 221 Cb -0.18 -2.64 -0.10 0.00 0.52 0.00 0.00 34.95 32.55 1ypl s ARG 221 CO 0.47 0.16 1.55 -0.51 0.02 0.00 0.00 175.30 176.98 1ypl s ASP 222 N -1.72 6.58 0.00 0.23 1.11 -1.26 -2.26 116.67 119.35 1ypl s ASP 222 Ca 0.54 2.66 0.00 0.00 0.18 0.00 0.00 52.55 55.93 1ypl s ASP 222 Cb -0.17 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.21 1ypl s ASP 222 CO 0.22 -0.81 0.00 0.61 1.18 0.00 0.00 175.17 176.37 1ypl n GLY 223 N 3.32 2.72 3.86 0.21 0.00 -1.26 -5.02 105.19 109.03 1ypl n GLY 223 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1ypl n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypl s LYS 224 N -0.12 3.02 -0.00 1.61 -0.14 -0.96 -4.75 119.74 118.40 1ypl s LYS 224 Ca 0.00 -1.01 -0.02 0.00 -1.36 0.00 0.00 55.97 53.57 1ypl s LYS 224 Cb 0.00 -2.63 -0.01 0.00 -1.68 0.00 0.00 37.83 33.52 1ypl s LYS 224 CO 0.00 0.38 0.04 0.71 -0.76 0.00 0.00 175.35 175.72 1ypl s TYR 225 N -2.12 0.08 0.38 3.18 2.02 -1.26 -4.71 117.35 114.93 1ypl s TYR 225 Ca 0.34 -0.17 -0.23 0.00 -0.37 0.00 0.00 57.07 56.63 1ypl s TYR 225 Cb -0.08 -0.08 -0.10 0.00 -0.40 0.00 0.00 41.96 41.30 1ypl s TYR 225 CO 0.26 -0.15 0.96 0.20 -1.57 0.00 0.00 175.55 175.25 1ypl s GLY 226 N -0.87 2.61 -0.00 0.71 0.00 -0.93 -4.61 107.32 104.22 1ypl s GLY 226 Ca -0.10 0.49 0.04 0.00 0.00 0.00 0.00 44.72 45.16 1ypl s GLY 226 CO 0.00 0.86 -0.12 -1.36 0.00 0.00 0.00 173.10 172.48 1ypl s PHE 227 N -1.87 2.75 -0.02 1.90 0.40 0.35 -1.85 117.98 119.64 1ypl s PHE 227 Ca 0.57 -0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.81 1ypl s PHE 227 Cb -0.15 -1.58 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 1ypl s PHE 227 CO 0.19 0.29 -0.15 0.71 0.70 0.00 0.00 175.22 176.96 1ypl s TYR 228 N -0.89 1.38 0.26 0.36 1.51 0.01 -2.14 117.35 117.84 1ypl s TYR 228 Ca 0.15 -0.32 -0.31 0.00 -1.01 0.00 0.00 57.07 55.58 1ypl s TYR 228 Cb -0.11 -0.92 -0.11 0.00 -0.11 0.00 0.00 41.96 40.71 1ypl s TYR 228 CO 0.05 -0.08 1.61 0.99 -1.11 0.00 0.00 175.55 177.01 1ypl s THR 229 N -0.14 2.15 -0.95 -0.71 2.01 -0.35 -1.46 115.64 116.19 1ypl s THR 229 Ca 0.02 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.90 1ypl s THR 229 Cb -0.08 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.39 1ypl s THR 229 CO 0.00 0.02 1.43 -2.28 -0.69 0.00 0.00 174.62 173.10 1ypl s HIS 230 N 0.38 2.44 0.22 4.92 2.46 -0.16 -2.33 115.29 123.22 1ypl s HIS 230 Ca 0.66 -0.60 -0.09 0.00 0.47 0.00 0.00 55.06 55.51 1ypl s HIS 230 Cb -0.47 -4.66 0.19 0.00 -0.13 0.00 0.00 32.58 27.51 1ypl s HIS 230 CO 0.42 -1.97 1.89 0.28 -2.47 0.00 0.00 174.74 172.89 1ypl h VAL 231 N 6.63 1.22 -0.27 0.89 2.07 -1.65 -2.07 116.25 123.07 1ypl h VAL 231 Ca 0.08 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1ypl h VAL 231 Cb 1.02 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1ypl h VAL 231 CO 1.39 0.22 0.00 0.15 0.02 0.00 0.00 177.57 179.35 1ypl h PHE 232 N 1.14 0.42 0.00 1.57 3.57 -1.86 -1.52 116.94 120.25 1ypl h PHE 232 Ca 0.30 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1ypl h PHE 232 Cb -0.11 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1ypl h PHE 232 CO -0.01 0.42 0.00 0.00 -2.23 0.00 0.00 178.31 176.49 1ypl h ARG 233 N 0.40 0.00 -0.26 1.11 2.47 -1.75 -2.63 114.38 113.72 1ypl h ARG 233 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1ypl h ARG 233 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1ypl h ARG 233 CO 0.01 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.82 1ypl n LEU 234 N -2.99 3.03 0.04 3.04 4.77 -0.62 -4.72 117.00 119.55 1ypl n LEU 234 Ca 0.01 -2.32 -0.01 0.00 -0.03 0.00 0.00 56.01 53.66 1ypl n LEU 234 Cb 0.28 -0.29 0.27 0.00 -2.33 0.00 0.00 43.42 41.35 1ypl n LEU 234 CO 0.26 0.69 0.82 0.50 -1.33 0.00 0.00 177.39 178.33 1ypl h LYS 235 N 1.62 0.42 -0.84 3.23 3.64 -1.04 -2.46 116.57 121.13 1ypl h LYS 235 Ca 0.00 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ypl h LYS 235 Cb 0.90 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1ypl h LYS 235 CO 0.06 0.58 0.53 -0.22 -2.27 0.00 0.00 179.45 178.12 1ypl h LYS 236 N 0.39 1.13 -0.45 1.90 3.64 -1.84 0.17 116.57 121.50 1ypl h LYS 236 Ca 0.07 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1ypl h LYS 236 Cb 0.51 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1ypl h LYS 236 CO 0.03 0.78 0.25 2.35 -2.27 0.00 0.00 179.45 180.59 1ypl h TRP 237 N 1.16 0.62 -0.31 1.91 7.01 -1.83 0.41 115.95 124.91 1ypl h TRP 237 Ca 0.31 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.29 1ypl h TRP 237 Cb -0.08 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.77 1ypl h TRP 237 CO 0.00 0.46 0.20 0.82 -2.79 0.00 0.00 178.44 177.13 1ypl h ILE 238 N 0.59 1.09 -0.42 2.65 2.04 -0.80 0.70 117.51 123.36 1ypl h ILE 238 Ca 0.16 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1ypl h ILE 238 Cb 0.05 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1ypl h ILE 238 CO -0.03 0.08 0.28 1.56 0.00 0.00 0.00 178.15 180.05 1ypl h GLN 239 N 0.41 0.56 -0.72 2.37 4.20 -0.59 -1.74 115.11 119.60 1ypl h GLN 239 Ca 0.11 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1ypl h GLN 239 Cb -0.03 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 1ypl h GLN 239 CO -0.02 0.37 0.45 -0.22 -0.67 0.00 0.00 178.83 178.74 1ypl h LYS 240 N 0.57 0.96 -0.42 1.46 3.64 -0.48 0.25 116.57 122.54 1ypl h LYS 240 Ca 0.15 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1ypl h LYS 240 Cb -0.06 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1ypl h LYS 240 CO -0.03 0.66 -0.09 0.28 -2.27 0.00 0.00 179.45 178.00 1ypl h VAL 241 N 0.97 1.27 0.00 2.00 2.07 -0.60 -2.67 116.25 119.30 1ypl h VAL 241 Ca 0.26 -1.18 -0.23 0.00 0.82 0.00 0.00 66.70 66.37 1ypl h VAL 241 Cb -0.07 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ypl h VAL 241 CO -0.05 0.40 -0.95 0.40 0.02 0.00 0.00 177.57 177.39 1ypl h ILE 242 N 0.63 1.40 -0.97 4.57 2.04 -1.04 -0.42 117.51 123.72 1ypl h ILE 242 Ca 0.11 -2.45 0.05 0.00 1.00 0.00 0.00 64.86 63.56 1ypl h ILE 242 Cb 0.62 2.42 -0.06 0.00 -0.74 0.00 0.00 36.82 39.06 1ypl h ILE 242 CO 0.04 0.73 0.63 0.44 0.00 0.00 0.00 178.15 180.00 1ypl h ASP 243 N 0.23 1.04 0.32 1.72 3.45 -0.53 -3.16 116.42 119.49 1ypl h ASP 243 Ca -0.08 -0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.05 1ypl h ASP 243 Cb 1.58 -0.23 0.02 0.00 -0.56 0.00 0.00 39.33 40.14 1ypl h ASP 243 CO 0.16 0.69 -1.56 -0.61 -1.57 0.00 0.00 179.24 176.36 1ypl h GLN 244 N 1.19 0.40 -0.01 3.56 4.15 -1.39 -3.51 115.11 119.51 1ypl h GLN 244 Ca 0.40 -0.68 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1ypl h GLN 244 Cb 0.07 0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1ypl h GLN 244 CO -0.14 1.31 0.00 1.19 -1.93 0.00 0.00 178.83 179.26