#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypm s VAL 17 N 0.00 4.87 -1.46 1.39 1.01 0.45 -4.13 120.40 122.53 1ypm s VAL 17 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1ypm s VAL 17 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1ypm s VAL 17 CO 0.00 0.54 0.54 -0.62 0.00 0.00 0.00 175.10 175.56 1ypm n GLU 18 N 2.73 -4.40 0.00 2.72 -0.58 -1.26 -2.39 120.64 117.46 1ypm n GLU 18 Ca -0.18 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1ypm n GLU 18 Cb 0.53 -5.58 0.00 0.00 -0.57 0.00 0.00 31.44 25.83 1ypm n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ypm n GLY 19 N -1.45 2.82 3.31 0.62 0.00 -1.26 -4.49 105.19 104.74 1ypm n GLY 19 Ca -0.11 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 1ypm n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ypm s SER 20 N -0.42 0.02 0.23 1.61 1.04 -0.07 -4.93 113.70 111.18 1ypm s SER 20 Ca 0.00 -0.73 -0.32 0.00 0.48 0.00 0.00 55.95 55.39 1ypm s SER 20 Cb 0.00 0.42 -0.13 0.00 0.10 0.00 0.00 66.02 66.41 1ypm s SER 20 CO 0.00 -0.86 1.53 0.47 0.98 0.00 0.00 173.24 175.37 1ypm n ASP 21 N -0.18 3.27 -4.65 7.02 9.92 -1.26 -0.30 116.55 130.37 1ypm n ASP 21 Ca -0.11 1.12 -0.38 0.00 -0.53 0.00 0.00 54.79 54.90 1ypm n ASP 21 Cb 0.63 -1.49 0.05 0.00 -0.64 0.00 0.00 41.12 39.67 1ypm n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ypm n ALA 22 N 2.56 0.53 -1.98 2.24 0.00 0.36 -4.74 120.51 119.48 1ypm n ALA 22 Ca 0.13 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 1ypm n ALA 22 Cb 0.33 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.54 1ypm n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ypm s GLU 23 N -2.90 4.00 0.10 0.00 2.02 -1.26 -4.93 118.70 115.73 1ypm s GLU 23 Ca 0.77 0.83 -0.33 0.00 0.02 0.00 0.00 54.97 56.26 1ypm s GLU 23 Cb -0.41 -2.27 -0.12 0.00 0.10 0.00 0.00 34.13 31.43 1ypm s GLU 23 CO 0.46 -0.06 1.74 -0.89 0.02 0.00 0.00 175.26 176.53 1ypm n ILE 24 N -0.99 0.25 -1.04 -1.63 2.08 -1.26 -2.02 119.36 114.76 1ypm n ILE 24 Ca 0.05 -0.05 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 1ypm n ILE 24 Cb 0.54 -1.84 -0.01 0.00 -0.75 0.00 0.00 39.64 37.59 1ypm n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ypm n GLY 25 N 3.95 0.45 0.19 7.39 0.00 -1.26 -4.90 105.19 111.00 1ypm n GLY 25 Ca 0.19 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1ypm n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ypm h MET 26 N 0.55 0.00 -1.87 1.61 -1.53 -1.78 -3.35 114.93 108.56 1ypm h MET 26 Ca -0.03 0.00 -0.51 0.00 -3.44 0.00 0.00 59.70 55.72 1ypm h MET 26 Cb 0.34 0.00 -0.38 0.00 -0.55 0.00 0.00 31.60 31.01 1ypm h MET 26 CO 0.04 0.39 -1.10 0.45 0.14 0.00 0.00 176.91 176.83 1ypm n SER 27 N -3.77 0.24 0.00 1.39 2.88 -1.26 -4.99 113.62 108.11 1ypm n SER 27 Ca -0.01 -2.86 0.06 0.00 -1.33 0.00 0.00 58.87 54.73 1ypm n SER 27 Cb 0.47 -0.47 0.28 0.00 -0.75 0.00 0.00 64.21 63.74 1ypm n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ypm n PRO 28 N 0.97 0.10 0.00 -1.46 -0.04 -1.26 -0.38 135.00 132.93 1ypm n PRO 28 Ca 0.22 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 1ypm n PRO 28 Cb 0.59 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 33.02 1ypm n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ypm n TRP 29 N -1.38 0.00 -2.02 0.54 2.14 -0.86 -1.58 117.44 114.29 1ypm n TRP 29 Ca 0.05 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.20 1ypm n TRP 29 Cb 0.11 -0.14 -0.03 0.00 -0.81 0.00 0.00 31.31 30.45 1ypm n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ypm s GLN 30 N -2.47 4.26 0.04 -2.67 2.00 0.49 -0.43 119.66 120.87 1ypm s GLN 30 Ca 0.27 2.27 0.08 0.00 -2.00 0.00 0.00 55.36 55.98 1ypm s GLN 30 Cb 0.20 -3.15 -0.03 0.00 0.80 0.00 0.00 33.01 30.83 1ypm s GLN 30 CO 0.49 -0.48 -0.23 0.08 -0.50 0.00 0.00 175.29 174.65 1ypm s VAL 31 N 0.58 1.86 -0.20 1.34 1.01 -0.17 -3.97 120.40 120.86 1ypm s VAL 31 Ca 0.64 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1ypm s VAL 31 Cb -0.41 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1ypm s VAL 31 CO 0.37 0.31 -0.03 -0.32 0.00 0.00 0.00 175.10 175.42 1ypm s MET 32 N -1.12 3.52 -0.20 2.72 1.75 -0.51 -1.82 119.30 123.64 1ypm s MET 32 Ca 0.09 -0.57 -0.23 0.00 -1.25 0.00 0.00 55.69 53.73 1ypm s MET 32 Cb -0.09 -3.00 -0.02 0.00 2.84 0.00 0.00 34.83 34.56 1ypm s MET 32 CO 0.02 -0.02 0.74 -0.51 -0.65 0.00 0.00 175.02 174.60 1ypm s LEU 33 N 1.04 4.13 -0.11 4.11 1.02 0.58 -0.94 118.68 128.52 1ypm s LEU 33 Ca 0.01 0.98 0.02 0.00 0.02 0.00 0.00 54.13 55.16 1ypm s LEU 33 Cb -0.15 -3.06 0.01 0.00 0.02 0.00 0.00 46.19 43.01 1ypm s LEU 33 CO 0.01 -0.37 -0.16 0.12 0.02 0.00 0.00 176.35 175.97 1ypm s PHE 34 N 2.24 2.03 0.05 0.29 5.36 -0.06 0.39 117.98 128.27 1ypm s PHE 34 Ca 0.33 -0.96 -0.30 0.00 -0.96 0.00 0.00 56.93 55.03 1ypm s PHE 34 Cb -0.16 -1.46 -0.05 0.00 -0.34 0.00 0.00 43.02 41.01 1ypm s PHE 34 CO 0.10 -0.49 1.15 0.50 -1.46 0.00 0.00 175.22 175.02 1ypm s ARG 35 N 0.99 4.46 0.07 10.12 3.52 0.11 -1.74 118.95 136.48 1ypm s ARG 35 Ca -0.06 1.70 -0.33 0.00 -0.13 0.00 0.00 55.73 56.90 1ypm s ARG 35 Cb -0.15 -3.36 -0.19 0.00 -1.56 0.00 0.00 34.95 29.69 1ypm s ARG 35 CO -0.02 -0.20 1.62 0.87 -0.81 0.00 0.00 175.30 176.76 1ypm h LYS 36 N 6.72 -0.91 -2.72 5.12 1.57 -1.76 -2.62 116.57 121.97 1ypm h LYS 36 Ca -0.42 0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.21 1ypm h LYS 36 Cb 1.22 0.21 -0.33 0.00 0.08 0.00 0.00 32.23 33.41 1ypm h LYS 36 CO 0.80 -0.61 -0.53 -1.12 -0.57 0.00 0.00 179.45 177.42 1ypm s SER 36 N -4.36 0.47 0.28 0.86 0.01 -1.26 -3.06 113.70 106.63 1ypm s SER 36 Ca -0.18 0.46 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 1ypm s SER 36 Cb 0.03 0.71 -0.10 0.00 0.21 0.00 0.00 66.02 66.88 1ypm s SER 36 CO 0.62 -0.26 1.11 -2.16 0.41 0.00 0.00 173.24 172.96 1ypm s PRO 37 N 2.42 4.62 -0.47 12.44 0.04 -1.26 -5.05 135.00 147.74 1ypm s PRO 37 Ca 0.03 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.62 1ypm s PRO 37 Cb -0.13 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1ypm s PRO 37 CO -0.10 0.18 2.04 -0.65 0.04 0.00 0.00 177.00 178.51 1ypm s GLN 38 N -1.41 2.69 0.25 4.56 -0.21 -1.17 -4.63 119.66 119.74 1ypm s GLN 38 Ca 0.45 1.17 -0.08 0.00 0.02 0.00 0.00 55.36 56.92 1ypm s GLN 38 Cb -0.32 -4.40 -0.01 0.00 1.00 0.00 0.00 33.01 29.27 1ypm s GLN 38 CO 0.41 -2.62 0.38 -1.83 -2.12 0.00 0.00 175.29 169.51 1ypm s GLU 39 N 7.00 1.50 0.01 2.91 -1.05 -0.99 -4.95 118.70 123.13 1ypm s GLU 39 Ca 0.82 -1.44 -0.30 0.00 -0.15 0.00 0.00 54.97 53.90 1ypm s GLU 39 Cb -0.18 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 1ypm s GLU 39 CO 0.27 -0.59 1.17 -1.17 0.95 0.00 0.00 175.26 175.88 1ypm s LEU 40 N -3.09 4.33 -0.18 1.83 2.96 -1.26 0.08 118.68 123.35 1ypm s LEU 40 Ca 0.28 1.88 0.06 0.00 -0.22 0.00 0.00 54.13 56.14 1ypm s LEU 40 Cb 0.02 -3.57 -0.22 0.00 0.50 0.00 0.00 46.19 42.92 1ypm s LEU 40 CO 0.12 -0.48 0.10 0.18 -1.32 0.00 0.00 176.35 174.95 1ypm n LEU 41 N 4.40 1.83 0.00 -0.68 4.77 0.16 -4.80 117.00 122.69 1ypm n LEU 41 Ca 0.09 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1ypm n LEU 41 Cb 0.47 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1ypm n LEU 41 CO 0.55 0.73 0.00 0.00 -1.33 0.00 0.00 177.39 177.34 1ypm s GLY 43 N 0.00 1.78 0.11 0.00 0.00 0.16 -0.31 107.32 109.06 1ypm s GLY 43 Ca 0.00 -1.69 -0.25 0.00 0.00 0.00 0.00 44.72 42.77 1ypm s GLY 43 CO 0.00 -1.24 1.11 0.00 0.00 0.00 0.00 173.10 172.98 1ypm s ALA 44 N -2.93 -1.88 -0.00 3.20 0.00 -0.76 -3.55 121.76 115.85 1ypm s ALA 44 Ca 0.63 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1ypm s ALA 44 Cb -0.07 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1ypm s ALA 44 CO 0.41 -1.08 -0.10 -1.54 0.00 0.00 0.00 175.76 173.46 1ypm s SER 45 N -3.32 1.16 -0.27 0.00 1.04 0.58 -1.00 113.70 111.90 1ypm s SER 45 Ca 0.20 -0.20 -0.24 0.00 0.48 0.00 0.00 55.95 56.19 1ypm s SER 45 Cb -0.01 -0.12 -0.00 0.00 0.10 0.00 0.00 66.02 65.99 1ypm s SER 45 CO 0.02 0.11 0.83 -0.22 0.98 0.00 0.00 173.24 174.96 1ypm s LEU 46 N -0.31 4.07 0.00 2.42 2.96 0.42 -0.10 118.68 128.14 1ypm s LEU 46 Ca 0.03 0.91 0.07 0.00 -0.22 0.00 0.00 54.13 54.92 1ypm s LEU 46 Cb -0.04 -3.17 -0.01 0.00 0.50 0.00 0.00 46.19 43.47 1ypm s LEU 46 CO -0.00 -0.57 0.50 2.30 -1.32 0.00 0.00 176.35 177.25 1ypm n ILE 47 N 5.39 0.00 -3.51 6.68 -5.35 -0.21 -1.92 119.36 120.44 1ypm n ILE 47 Ca 0.05 -0.41 -0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1ypm n ILE 47 Cb 0.48 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 1ypm n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ypm n SER 48 N -0.45 -0.27 -0.08 7.28 3.41 -1.15 -4.77 113.62 117.60 1ypm n SER 48 Ca 0.03 -1.14 0.15 0.00 -0.26 0.00 0.00 58.87 57.65 1ypm n SER 48 Cb 0.15 0.44 0.81 0.00 -0.26 0.00 0.00 64.21 65.34 1ypm n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ypm n ASP 49 N -0.68 0.25 0.00 4.04 3.85 -1.26 -3.65 116.55 119.10 1ypm n ASP 49 Ca -0.00 -0.83 0.00 0.00 -0.71 0.00 0.00 54.79 53.25 1ypm n ASP 49 Cb 0.09 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 1ypm n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ypm n ARG 50 N -0.91 -0.02 -4.93 0.11 5.12 -1.26 0.26 116.66 115.03 1ypm n ARG 50 Ca 0.20 -0.23 -0.28 0.00 -1.93 0.00 0.00 57.85 55.61 1ypm n ARG 50 Cb 0.19 -0.60 -0.16 0.00 -1.16 0.00 0.00 32.46 30.73 1ypm n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1ypm s TRP 51 N -0.04 1.94 -0.08 -1.55 0.52 -1.24 -0.79 118.94 117.70 1ypm s TRP 51 Ca 0.00 -0.64 0.05 0.00 0.02 0.00 0.00 56.10 55.52 1ypm s TRP 51 Cb 0.00 -1.32 -0.00 0.00 -1.15 0.00 0.00 33.47 31.00 1ypm s TRP 51 CO 0.00 -0.24 -0.24 0.08 0.02 0.00 0.00 176.95 176.57 1ypm s VAL 52 N 0.18 2.00 -0.03 4.03 1.01 -0.08 -1.05 120.40 126.47 1ypm s VAL 52 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1ypm s VAL 52 Cb -0.14 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1ypm s VAL 52 CO 0.04 0.55 0.00 -0.22 0.00 0.00 0.00 175.10 175.47 1ypm s LEU 53 N 0.18 3.53 0.00 3.92 2.96 0.86 -1.07 118.68 129.06 1ypm s LEU 53 Ca -0.14 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1ypm s LEU 53 Cb -0.16 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1ypm s LEU 53 CO 0.07 0.31 0.39 1.07 -1.32 0.00 0.00 176.35 176.87 1ypm n THR 54 N 1.64 0.00 -3.13 3.68 5.66 -0.47 -0.31 114.28 121.36 1ypm n THR 54 Ca -0.16 -1.00 -0.39 0.00 -3.05 0.00 0.00 64.05 59.45 1ypm n THR 54 Cb 0.53 0.70 -0.06 0.00 -1.55 0.00 0.00 70.33 69.95 1ypm n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ypm s ALA 55 N -2.15 3.50 0.37 1.79 0.00 -1.26 -1.97 121.76 122.05 1ypm s ALA 55 Ca 0.16 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.36 1ypm s ALA 55 Cb -0.02 -2.80 0.76 0.00 0.00 0.00 0.00 23.12 21.06 1ypm s ALA 55 CO 0.12 0.30 1.97 0.00 0.00 0.00 0.00 175.76 178.15 1ypm h ALA 56 N 4.72 1.71 0.00 0.00 0.00 -1.70 -1.13 119.26 122.86 1ypm h ALA 56 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ypm h ALA 56 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ypm h ALA 56 CO 0.66 0.19 0.00 1.12 0.00 0.00 0.00 179.25 181.22 1ypm h HIS 57 N 0.73 0.00 0.00 0.00 2.07 -1.89 0.17 115.15 116.23 1ypm h HIS 57 Ca 0.29 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.75 1ypm h HIS 57 Cb 0.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.19 1ypm h HIS 57 CO -0.00 0.00 -0.27 0.00 -3.07 0.00 0.00 177.93 174.59 1ypm n LEU 59 N -3.98 0.00 -3.64 0.00 4.77 0.13 -4.82 117.00 109.46 1ypm n LEU 59 Ca -0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 1ypm n LEU 59 Cb 0.34 0.08 -0.17 0.00 -2.33 0.00 0.00 43.42 41.33 1ypm n LEU 59 CO 0.36 0.08 -0.34 -0.22 -1.33 0.00 0.00 177.39 175.94 1ypm s LEU 60 N -4.02 0.30 0.16 2.23 2.96 0.38 0.47 118.68 121.14 1ypm s LEU 60 Ca -0.04 -0.36 -0.17 0.00 -0.22 0.00 0.00 54.13 53.34 1ypm s LEU 60 Cb 0.05 -0.22 0.03 0.00 0.50 0.00 0.00 46.19 46.56 1ypm s LEU 60 CO 0.41 -0.31 0.46 -0.47 -1.32 0.00 0.00 176.35 175.12 1ypm s TYR 60 N 2.14 -0.18 0.00 5.38 5.04 0.11 -4.11 117.35 125.73 1ypm s TYR 60 Ca 0.03 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 1ypm s TYR 60 Cb -0.15 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1ypm s TYR 60 CO -0.07 -0.80 0.00 -2.30 -1.34 0.00 0.00 175.55 171.05 1ypm n PRO 60 N -0.28 0.00 -0.31 4.97 -0.02 -1.26 -1.15 135.00 136.95 1ypm n PRO 60 Ca -0.14 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.42 1ypm n PRO 60 Cb 0.63 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.32 1ypm n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ypm n TRP 60 N 0.00 0.68 -3.21 6.00 8.01 -1.26 -4.98 117.44 122.69 1ypm n TRP 60 Ca 0.00 -0.71 -0.23 0.00 -1.31 0.00 0.00 57.50 55.25 1ypm n TRP 60 Cb 0.00 -0.18 0.03 0.00 -2.01 0.00 0.00 31.31 29.14 1ypm n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ypm n ASP 60 N -0.11 -5.32 -4.63 -0.99 8.00 -0.97 -4.96 116.55 107.56 1ypm n ASP 60 Ca 0.16 -0.36 -0.38 0.00 0.71 0.00 0.00 54.79 54.93 1ypm n ASP 60 Cb 0.67 -4.31 -0.09 0.00 -0.02 0.00 0.00 41.12 37.36 1ypm n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ypm s LYS 60 N -5.89 4.04 -0.38 -1.24 2.20 -0.30 -4.99 119.74 113.19 1ypm s LYS 60 Ca 0.37 -0.09 0.05 0.00 -0.36 0.00 0.00 55.97 55.94 1ypm s LYS 60 Cb -0.18 -3.60 0.17 0.00 -1.51 0.00 0.00 37.83 32.70 1ypm s LYS 60 CO 0.46 -0.12 0.47 1.21 -0.36 0.00 0.00 175.35 177.00 1ypm s ASN 60 N 1.41 0.13 0.10 1.43 3.84 -1.23 0.04 114.94 120.66 1ypm s ASN 60 Ca 0.12 -1.20 -0.13 0.00 0.21 0.00 0.00 52.86 51.86 1ypm s ASN 60 Cb -0.15 1.11 -0.06 0.00 -0.55 0.00 0.00 41.25 41.59 1ypm s ASN 60 CO 0.08 -0.23 0.48 -0.36 -2.79 0.00 0.00 177.10 174.28 1ypm s PHE 60 N 1.66 3.61 0.40 0.43 0.08 0.18 -5.01 117.98 119.33 1ypm s PHE 60 Ca 0.16 0.95 0.08 0.00 0.12 0.00 0.00 56.93 58.23 1ypm s PHE 60 Cb -0.11 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 1ypm s PHE 60 CO -0.07 0.49 0.39 0.95 -0.10 0.00 0.00 175.22 176.89 1ypm s THR 60 N -1.40 2.92 0.20 0.64 -4.23 -1.26 -4.91 115.64 107.60 1ypm s THR 60 Ca 0.34 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.40 1ypm s THR 60 Cb -0.15 -3.05 0.18 0.00 1.34 0.00 0.00 72.50 70.82 1ypm s THR 60 CO 0.18 -0.04 1.37 -0.62 -0.54 0.00 0.00 174.62 174.97 1ypm n GLU 61 N -1.56 -0.23 0.00 3.99 4.71 -1.26 -0.87 120.64 125.41 1ypm n GLU 61 Ca 0.03 1.36 0.08 0.00 -0.01 0.00 0.00 57.16 58.61 1ypm n GLU 61 Cb 0.61 -2.01 0.40 0.00 -1.01 0.00 0.00 31.44 29.42 1ypm n GLU 61 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ypm n ASN 62 N -5.27 0.00 -0.11 1.62 4.13 -1.26 -3.02 115.26 111.34 1ypm n ASN 62 Ca 0.08 -0.01 0.13 0.00 1.68 0.00 0.00 54.58 56.46 1ypm n ASN 62 Cb 0.34 -0.24 0.50 0.00 -1.54 0.00 0.00 39.78 38.83 1ypm n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1ypm n ASP 63 N -1.24 0.54 -3.33 6.41 8.00 -0.05 -4.93 116.55 121.94 1ypm n ASP 63 Ca 0.08 -0.45 -0.13 0.00 0.71 0.00 0.00 54.79 55.00 1ypm n ASP 63 Cb 0.11 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1ypm n ASP 63 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ypm s LEU 64 N -2.64 0.74 0.07 0.64 2.34 -1.17 -2.20 118.68 116.47 1ypm s LEU 64 Ca 0.23 -1.34 -0.01 0.00 0.06 0.00 0.00 54.13 53.07 1ypm s LEU 64 Cb 0.19 1.72 -0.04 0.00 -0.56 0.00 0.00 46.19 47.50 1ypm s LEU 64 CO 0.53 -1.33 -0.01 -0.76 -1.06 0.00 0.00 176.35 173.73 1ypm s LEU 65 N -3.17 2.29 -0.17 1.48 1.43 -0.71 -4.47 118.68 115.36 1ypm s LEU 65 Ca 0.27 -1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 52.27 1ypm s LEU 65 Cb -0.01 0.24 -0.03 0.00 0.03 0.00 0.00 46.19 46.41 1ypm s LEU 65 CO 0.17 -0.63 0.01 0.68 0.23 0.00 0.00 176.35 176.81 1ypm s VAL 66 N -3.95 4.36 -0.29 -1.59 -7.23 -0.35 -0.88 120.40 110.46 1ypm s VAL 66 Ca 0.11 -0.19 -0.04 0.00 -1.81 0.00 0.00 61.98 60.05 1ypm s VAL 66 Cb 0.08 -2.93 0.03 0.00 0.56 0.00 0.00 36.38 34.12 1ypm s VAL 66 CO -0.07 0.48 0.02 -0.13 -0.31 0.00 0.00 175.10 175.09 1ypm s ARG 67 N 0.31 2.74 0.01 4.82 0.52 -0.11 -1.01 118.95 126.23 1ypm s ARG 67 Ca 0.00 -1.07 0.03 0.00 -0.52 0.00 0.00 55.73 54.17 1ypm s ARG 67 Cb -0.13 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 1ypm s ARG 67 CO 0.02 -0.52 -0.05 0.42 0.02 0.00 0.00 175.30 175.19 1ypm s ILE 68 N 1.36 3.78 0.00 1.52 1.01 0.00 -1.42 121.20 127.44 1ypm s ILE 68 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1ypm s ILE 68 Cb -0.18 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1ypm s ILE 68 CO -0.01 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1ypm n GLY 69 N 1.41 0.43 3.88 6.18 0.00 -1.25 -0.68 105.19 115.16 1ypm n GLY 69 Ca -0.15 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1ypm n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypm s LYS 70 N -1.76 3.71 0.19 1.61 1.02 -1.26 -4.19 119.74 119.06 1ypm s LYS 70 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1ypm s LYS 70 Cb 0.00 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1ypm s LYS 70 CO 0.00 -0.19 0.00 1.58 -0.92 0.00 0.00 175.35 175.82 1ypm n HIS 71 N -1.80 -1.27 -1.99 3.18 -0.00 -1.26 -4.94 115.22 107.14 1ypm n HIS 71 Ca 0.03 0.22 -0.41 0.00 -0.00 0.00 0.00 57.72 57.56 1ypm n HIS 71 Cb 0.54 0.30 -0.02 0.00 -0.00 0.00 0.00 29.99 30.81 1ypm n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ypm s SER 72 N -5.45 6.63 0.00 0.26 0.15 -1.26 0.06 113.70 114.09 1ypm s SER 72 Ca 0.00 2.69 -0.24 0.00 0.70 0.00 0.00 55.95 59.09 1ypm s SER 72 Cb 0.00 -2.62 -0.14 0.00 -1.71 0.00 0.00 66.02 61.55 1ypm s SER 72 CO 0.00 -0.72 1.06 -0.09 1.20 0.00 0.00 173.24 174.69 1ypm h ARG 73 N 5.11 -0.73 0.00 5.44 2.43 -1.40 -3.36 114.38 121.85 1ypm h ARG 73 Ca -0.46 0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.63 1ypm h ARG 73 Cb 1.22 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1ypm h ARG 73 CO 0.78 -0.44 -1.01 1.79 -1.51 0.00 0.00 179.97 179.59 1ypm h THR 74 N -1.12 0.61 -3.90 0.20 1.35 -1.87 -3.48 112.91 104.70 1ypm h THR 74 Ca -0.08 -2.02 -0.50 0.00 -0.55 0.00 0.00 66.41 63.26 1ypm h THR 74 Cb 0.63 2.16 0.04 0.00 -1.73 0.00 0.00 68.15 69.24 1ypm h THR 74 CO 0.13 0.35 0.48 -0.60 -0.25 0.00 0.00 175.52 175.63 1ypm s ARG 75 N -2.97 4.26 -0.50 4.72 3.52 -1.26 -4.98 118.95 121.74 1ypm s ARG 75 Ca 0.00 1.78 -0.28 0.00 -0.13 0.00 0.00 55.73 57.10 1ypm s ARG 75 Cb 0.08 -2.81 0.03 0.00 -1.56 0.00 0.00 34.95 30.69 1ypm s ARG 75 CO 0.78 -0.12 1.10 -0.47 -0.81 0.00 0.00 175.30 175.78 1ypm s TYR 76 N -1.38 2.79 -1.01 5.12 5.04 -1.26 -4.90 117.35 121.74 1ypm s TYR 76 Ca 0.53 0.54 -0.17 0.00 -2.44 0.00 0.00 57.07 55.53 1ypm s TYR 76 Cb -0.30 -4.35 0.15 0.00 0.35 0.00 0.00 41.96 37.82 1ypm s TYR 76 CO 0.38 -1.32 1.20 -1.21 -1.34 0.00 0.00 175.55 173.26 1ypm s GLU 77 N 4.41 3.77 -0.05 4.97 2.02 -1.26 -4.96 118.70 127.59 1ypm s GLU 77 Ca 0.44 -2.09 -0.36 0.00 0.02 0.00 0.00 54.97 52.98 1ypm s GLU 77 Cb -0.08 -4.93 -0.14 0.00 0.10 0.00 0.00 34.13 29.09 1ypm s GLU 77 CO 0.29 -1.73 1.72 -2.13 0.02 0.00 0.00 175.26 173.43 1ypm n ARG 77 N 6.04 1.86 -1.02 1.61 0.63 -1.26 -1.15 116.66 123.36 1ypm n ARG 77 Ca 0.27 0.68 -0.01 0.00 -0.92 0.00 0.00 57.85 57.87 1ypm n ARG 77 Cb 0.47 -2.45 -0.00 0.00 0.45 0.00 0.00 32.46 30.92 1ypm n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ypm n ASN 78 N 5.19 -3.64 0.06 6.15 4.13 -1.26 -4.82 115.26 121.08 1ypm n ASN 78 Ca 0.22 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.49 1ypm n ASN 78 Cb 0.25 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.29 1ypm n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1ypm n ILE 79 N -2.79 0.56 -1.38 2.41 5.41 -0.30 -5.07 119.36 118.19 1ypm n ILE 79 Ca -0.01 0.19 -0.31 0.00 1.00 0.00 0.00 62.75 63.62 1ypm n ILE 79 Cb 0.11 -1.03 0.08 0.00 -0.71 0.00 0.00 39.64 38.09 1ypm n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ypm s GLU 80 N -1.72 2.52 -0.05 0.38 -1.05 -0.46 -4.80 118.70 113.53 1ypm s GLU 80 Ca 0.00 1.08 0.04 0.00 -0.15 0.00 0.00 54.97 55.94 1ypm s GLU 80 Cb 0.00 -1.93 -0.00 0.00 -0.44 0.00 0.00 34.13 31.76 1ypm s GLU 80 CO 0.00 -1.43 -0.17 0.15 0.95 0.00 0.00 175.26 174.75 1ypm s LYS 81 N -4.96 1.87 -0.17 -4.83 1.02 0.15 -4.90 119.74 107.92 1ypm s LYS 81 Ca 0.60 -0.61 -0.03 0.00 0.02 0.00 0.00 55.97 55.95 1ypm s LYS 81 Cb -0.16 -1.60 -0.02 0.00 -0.52 0.00 0.00 37.83 35.53 1ypm s LYS 81 CO 0.56 0.22 -0.06 0.42 -0.92 0.00 0.00 175.35 175.57 1ypm s ILE 82 N 0.11 3.59 0.03 2.17 1.01 -1.26 -0.82 121.20 126.04 1ypm s ILE 82 Ca -0.06 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.20 1ypm s ILE 82 Cb -0.12 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1ypm s ILE 82 CO 0.03 0.48 -0.19 -0.44 0.00 0.00 0.00 174.94 174.82 1ypm s SER 83 N 0.64 2.23 0.21 3.58 0.01 -0.18 -4.98 113.70 115.21 1ypm s SER 83 Ca -0.03 -0.47 -0.10 0.00 1.31 0.00 0.00 55.95 56.65 1ypm s SER 83 Cb -0.15 -0.19 -0.07 0.00 0.21 0.00 0.00 66.02 65.82 1ypm s SER 83 CO 0.02 0.14 0.54 -0.04 0.41 0.00 0.00 173.24 174.31 1ypm s MET 84 N -1.03 3.81 -0.32 12.44 -1.94 -1.26 -1.22 119.30 129.78 1ypm s MET 84 Ca 0.06 0.28 -0.26 0.00 -1.71 0.00 0.00 55.69 54.06 1ypm s MET 84 Cb -0.08 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 34.07 1ypm s MET 84 CO 0.01 0.35 0.92 -0.51 -0.01 0.00 0.00 175.02 175.78 1ypm s LEU 85 N -2.68 4.02 -0.04 -0.03 1.43 -1.26 -1.51 118.68 118.61 1ypm s LEU 85 Ca 0.46 0.79 -0.24 0.00 -1.03 0.00 0.00 54.13 54.10 1ypm s LEU 85 Cb -0.12 -3.28 -0.19 0.00 0.03 0.00 0.00 46.19 42.63 1ypm s LEU 85 CO 0.21 -0.76 1.08 -0.08 0.23 0.00 0.00 176.35 177.04 1ypm h GLU 86 N 8.17 -0.12 -2.10 1.70 4.81 -1.42 -3.44 114.58 122.18 1ypm h GLU 86 Ca -0.23 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1ypm h GLU 86 Cb 1.08 0.03 -0.22 0.00 0.63 0.00 0.00 28.75 30.27 1ypm h GLU 86 CO 0.96 0.37 0.04 0.21 -0.73 0.00 0.00 179.01 179.86 1ypm s LYS 87 N -3.84 0.74 -0.09 1.92 2.47 -1.03 -4.99 119.74 114.92 1ypm s LYS 87 Ca -0.15 1.02 -0.09 0.00 -1.56 0.00 0.00 55.97 55.20 1ypm s LYS 87 Cb 0.01 0.28 -0.04 0.00 -1.46 0.00 0.00 37.83 36.62 1ypm s LYS 87 CO 0.59 -0.12 0.20 0.42 0.16 0.00 0.00 175.35 176.61 1ypm s ILE 88 N 0.83 5.40 -0.21 5.43 1.01 -1.26 -1.21 121.20 131.19 1ypm s ILE 88 Ca -0.04 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 1ypm s ILE 88 Cb -0.05 -3.47 0.06 0.00 0.01 0.00 0.00 42.46 39.01 1ypm s ILE 88 CO -0.07 0.61 -0.00 -0.31 0.00 0.00 0.00 174.94 175.17 1ypm s TYR 89 N -1.02 1.56 -0.11 3.97 1.51 0.20 -4.99 117.35 118.47 1ypm s TYR 89 Ca 0.17 -1.19 -0.08 0.00 -1.01 0.00 0.00 57.07 54.96 1ypm s TYR 89 Cb -0.13 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1ypm s TYR 89 CO 0.06 -0.67 0.17 0.42 -1.11 0.00 0.00 175.55 174.42 1ypm s ILE 90 N 1.68 5.46 0.01 2.71 1.01 -1.26 -0.63 121.20 130.17 1ypm s ILE 90 Ca -0.03 0.28 -0.35 0.00 0.00 0.00 0.00 60.65 60.55 1ypm s ILE 90 Cb -0.18 -3.44 -0.14 0.00 0.01 0.00 0.00 42.46 38.72 1ypm s ILE 90 CO -0.07 0.61 1.63 1.57 0.00 0.00 0.00 174.94 178.68 1ypm n HIS 91 N 2.00 2.09 0.25 3.97 -0.00 -0.98 -4.85 115.22 117.71 1ypm n HIS 91 Ca -0.19 0.31 0.10 0.00 -0.00 0.00 0.00 57.72 57.94 1ypm n HIS 91 Cb 0.55 -2.52 0.65 0.00 -0.00 0.00 0.00 29.99 28.66 1ypm n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ypm h PRO 92 N 6.72 0.00 -0.61 1.57 0.13 -1.94 -1.07 132.00 136.80 1ypm h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ypm h PRO 92 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ypm h PRO 92 CO 0.89 0.15 0.00 0.54 -0.23 0.00 0.00 178.00 179.35 1ypm n ARG 93 N -3.90 4.59 -1.68 0.86 1.74 -1.26 -4.99 116.66 112.02 1ypm n ARG 93 Ca -0.02 -2.95 -0.46 0.00 -0.77 0.00 0.00 57.85 53.65 1ypm n ARG 93 Cb 0.24 -2.20 -0.04 0.00 -1.02 0.00 0.00 32.46 29.44 1ypm n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ypm n TYR 94 N 0.63 2.38 -3.46 -1.55 9.36 -0.41 -4.75 117.16 119.36 1ypm n TYR 94 Ca 0.26 0.01 -0.42 0.00 3.32 0.00 0.00 57.90 61.07 1ypm n TYR 94 Cb 1.12 -2.66 -0.03 0.00 -0.63 0.00 0.00 39.34 37.14 1ypm n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ypm s ASN 95 N 3.06 6.69 0.27 2.98 3.84 0.33 -4.79 114.94 127.32 1ypm s ASN 95 Ca 0.87 -3.50 0.25 0.00 0.21 0.00 0.00 52.86 50.70 1ypm s ASN 95 Cb -0.63 -2.09 0.89 0.00 -0.55 0.00 0.00 41.25 38.87 1ypm s ASN 95 CO 0.45 -0.29 1.75 4.11 -2.79 0.00 0.00 177.10 180.34 1ypm h TRP 96 N 6.59 0.00 -0.11 0.43 5.08 -1.91 -0.42 115.95 125.61 1ypm h TRP 96 Ca 0.15 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.95 1ypm h TRP 96 Cb 0.88 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 1ypm h TRP 96 CO 0.78 0.00 -0.65 0.00 -1.28 0.00 0.00 178.44 177.29 1ypm h ARG 97 N 0.00 0.43 0.00 0.12 3.08 -1.99 -3.44 114.38 112.59 1ypm h ARG 97 Ca 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1ypm h ARG 97 Cb 0.59 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1ypm h ARG 97 CO 0.00 0.94 0.00 -1.91 -1.07 0.00 0.00 179.97 177.93 1ypm n GLU 97 N -3.89 0.00 -0.19 0.04 2.13 -1.22 -4.98 120.64 112.53 1ypm n GLU 97 Ca -0.04 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.80 1ypm n GLU 97 Cb 0.66 -0.41 0.02 0.00 0.27 0.00 0.00 31.44 31.98 1ypm n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ypm n ASN 98 N -3.32 0.56 -1.51 4.31 6.94 -1.22 -4.94 115.26 116.08 1ypm n ASN 98 Ca 0.00 -1.75 -0.16 0.00 -0.02 0.00 0.00 54.58 52.65 1ypm n ASN 98 Cb 0.00 -0.13 -0.04 0.00 -2.36 0.00 0.00 39.78 37.26 1ypm n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ypm n LEU 99 N -0.25 -1.44 -4.70 -4.53 4.77 -0.17 -4.95 117.00 105.74 1ypm n LEU 99 Ca 0.02 0.18 -0.44 0.00 -0.03 0.00 0.00 56.01 55.74 1ypm n LEU 99 Cb 0.56 -2.30 -0.02 0.00 -2.33 0.00 0.00 43.42 39.32 1ypm n LEU 99 CO 0.00 -0.48 1.06 -0.67 -1.33 0.00 0.00 177.39 175.98 1ypm n ASP 100 N -0.77 3.06 -3.53 -1.43 2.03 -1.24 -2.41 116.55 112.26 1ypm n ASP 100 Ca -0.17 1.15 -0.19 0.00 0.52 0.00 0.00 54.79 56.10 1ypm n ASP 100 Cb 0.58 -1.48 0.07 0.00 -0.72 0.00 0.00 41.12 39.57 1ypm n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ypm n ARG 101 N 1.85 -6.27 -2.42 -0.67 1.74 -1.26 -0.51 116.66 109.11 1ypm n ARG 101 Ca 0.10 0.78 -0.40 0.00 -0.77 0.00 0.00 57.85 57.55 1ypm n ARG 101 Cb 0.34 -5.68 -0.01 0.00 -1.02 0.00 0.00 32.46 26.09 1ypm n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ypm n ASP 102 N -3.09 4.52 -3.66 0.55 2.03 -1.01 -4.32 116.55 111.57 1ypm n ASP 102 Ca -0.25 -2.87 -0.15 0.00 0.52 0.00 0.00 54.79 52.03 1ypm n ASP 102 Cb 0.66 -1.73 -0.08 0.00 -0.72 0.00 0.00 41.12 39.24 1ypm n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ypm s ILE 103 N 5.36 0.02 -0.08 5.18 2.07 -1.26 -3.76 121.20 128.73 1ypm s ILE 103 Ca 0.56 -0.19 -0.23 0.00 -1.41 0.00 0.00 60.65 59.38 1ypm s ILE 103 Cb 0.04 -0.77 0.05 0.00 0.13 0.00 0.00 42.46 41.91 1ypm s ILE 103 CO 0.08 -0.10 0.54 0.00 -1.91 0.00 0.00 174.94 173.55 1ypm s ALA 104 N -0.85 -1.38 0.08 1.50 0.00 -0.83 -2.31 121.76 117.97 1ypm s ALA 104 Ca -0.09 1.10 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1ypm s ALA 104 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1ypm s ALA 104 CO 0.05 -0.31 -0.09 -0.51 0.00 0.00 0.00 175.76 174.90 1ypm s LEU 105 N -0.84 3.07 -0.10 0.00 1.43 0.20 -1.36 118.68 121.07 1ypm s LEU 105 Ca -0.09 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1ypm s LEU 105 Cb -0.03 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1ypm s LEU 105 CO 0.06 0.21 -0.05 -0.04 0.23 0.00 0.00 176.35 176.76 1ypm s MET 106 N -1.99 1.18 -0.05 1.70 -1.94 -0.24 0.60 119.30 118.57 1ypm s MET 106 Ca 0.20 -0.13 -0.19 0.00 -1.71 0.00 0.00 55.69 53.86 1ypm s MET 106 Cb -0.11 -1.38 -0.05 0.00 2.01 0.00 0.00 34.83 35.30 1ypm s MET 106 CO 0.12 -0.29 0.55 0.21 -0.01 0.00 0.00 175.02 175.60 1ypm s LYS 107 N 1.81 4.30 0.26 2.03 2.20 -0.35 -0.90 119.74 129.08 1ypm s LYS 107 Ca 0.05 0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 56.10 1ypm s LYS 107 Cb -0.13 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 1ypm s LYS 107 CO -0.07 0.29 0.73 -0.51 -0.36 0.00 0.00 175.35 175.43 1ypm s LEU 108 N 0.11 4.24 0.21 5.43 1.43 0.03 -1.24 118.68 128.89 1ypm s LEU 108 Ca 0.29 1.37 -0.10 0.00 -1.03 0.00 0.00 54.13 54.66 1ypm s LEU 108 Cb -0.17 -3.77 0.28 0.00 0.03 0.00 0.00 46.19 42.56 1ypm s LEU 108 CO 0.15 -0.06 1.71 0.11 0.23 0.00 0.00 176.35 178.49 1ypm h LYS 109 N 2.99 0.25 -4.41 1.70 1.79 -1.57 -3.42 116.57 113.90 1ypm h LYS 109 Ca -0.48 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 57.80 1ypm h LYS 109 Cb 1.19 -0.06 -0.16 0.00 -1.58 0.00 0.00 32.23 31.62 1ypm h LYS 109 CO 0.65 0.17 -0.69 0.15 -1.08 0.00 0.00 179.45 178.65 1ypm s LYS 110 N -6.11 0.67 0.50 3.15 1.02 -1.26 -4.97 119.74 112.73 1ypm s LYS 110 Ca -0.13 -1.18 -0.22 0.00 0.02 0.00 0.00 55.97 54.46 1ypm s LYS 110 Cb 0.17 -0.01 -0.06 0.00 -0.52 0.00 0.00 37.83 37.41 1ypm s LYS 110 CO 0.74 -0.05 1.22 -2.14 -0.92 0.00 0.00 175.35 174.19 1ypm s PRO 111 N -3.50 3.51 0.07 -1.68 0.02 -1.26 -4.80 135.00 127.36 1ypm s PRO 111 Ca 0.06 1.90 -0.15 0.00 0.02 0.00 0.00 61.00 62.83 1ypm s PRO 111 Cb 0.04 -2.31 -0.06 0.00 0.02 0.00 0.00 34.50 32.18 1ypm s PRO 111 CO -0.06 -0.79 0.49 0.54 -0.33 0.00 0.00 177.00 176.85 1ypm s VAL 112 N -1.49 4.90 -0.03 3.83 0.11 0.14 -5.00 120.40 122.86 1ypm s VAL 112 Ca 0.67 0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 60.34 1ypm s VAL 112 Cb -0.32 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 30.74 1ypm s VAL 112 CO 0.38 0.45 0.95 0.00 -3.33 0.00 0.00 175.10 173.55 1ypm s ALA 113 N -1.23 3.24 0.72 1.54 0.00 -1.26 -4.79 121.76 119.98 1ypm s ALA 113 Ca 0.30 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1ypm s ALA 113 Cb -0.17 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1ypm s ALA 113 CO 0.17 -0.31 1.08 -0.06 0.00 0.00 0.00 175.76 176.64 1ypm s PHE 114 N 1.23 2.82 0.34 0.00 0.08 -1.26 -4.86 117.98 116.32 1ypm s PHE 114 Ca 0.49 1.50 -0.13 0.00 0.12 0.00 0.00 56.93 58.91 1ypm s PHE 114 Cb -0.20 -2.99 0.05 0.00 -0.57 0.00 0.00 43.02 39.31 1ypm s PHE 114 CO 0.24 -1.52 0.71 -1.13 -0.10 0.00 0.00 175.22 173.43 1ypm n SER 115 N -3.13 -2.01 0.32 1.36 3.41 -0.50 -4.95 113.62 108.12 1ypm n SER 115 Ca 0.09 -2.37 0.20 0.00 -0.26 0.00 0.00 58.87 56.53 1ypm n SER 115 Cb 0.53 3.34 1.07 0.00 -0.26 0.00 0.00 64.21 68.88 1ypm n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ypm h ASP 116 N 1.75 0.00 -0.00 4.04 3.32 -1.99 -2.74 116.42 120.79 1ypm h ASP 116 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1ypm h ASP 116 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1ypm h ASP 116 CO 0.37 0.00 -0.48 -1.22 -1.72 0.00 0.00 179.24 176.19 1ypm n TYR 117 N -2.94 0.00 -3.88 4.55 4.01 -1.26 -4.74 117.16 112.89 1ypm n TYR 117 Ca -0.03 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.43 1ypm n TYR 117 Cb 0.14 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.00 1ypm n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ypm s ILE 118 N -1.96 1.08 -0.27 -0.72 1.01 -1.03 -4.14 121.20 115.16 1ypm s ILE 118 Ca 0.04 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 1ypm s ILE 118 Cb 0.08 -1.29 0.08 0.00 0.01 0.00 0.00 42.46 41.33 1ypm s ILE 118 CO 0.42 0.09 0.72 -2.28 0.00 0.00 0.00 174.94 173.89 1ypm s HIS 119 N 1.64 -0.88 0.43 3.97 2.46 -0.61 -1.41 115.29 120.89 1ypm s HIS 119 Ca 0.00 1.97 -0.22 0.00 0.47 0.00 0.00 55.06 57.28 1ypm s HIS 119 Cb -0.16 0.41 -0.09 0.00 -0.13 0.00 0.00 32.58 32.61 1ypm s HIS 119 CO -0.08 -0.43 1.01 -1.25 -2.47 0.00 0.00 174.74 171.53 1ypm s PRO 120 N 0.86 4.07 0.38 2.88 0.04 -1.26 -2.03 135.00 139.94 1ypm s PRO 120 Ca -0.04 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.25 1ypm s PRO 120 Cb -0.05 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 1ypm s PRO 120 CO -0.07 -0.20 0.73 0.54 0.04 0.00 0.00 177.00 178.04 1ypm s VAL 121 N -1.90 4.82 0.50 -0.36 0.11 -0.81 -4.91 120.40 117.85 1ypm s VAL 121 Ca 0.62 0.54 -0.15 0.00 -2.93 0.00 0.00 61.98 60.06 1ypm s VAL 121 Cb -0.16 -3.73 -0.07 0.00 -1.53 0.00 0.00 36.38 30.89 1ypm s VAL 121 CO 0.21 -0.47 0.95 0.00 -3.33 0.00 0.00 175.10 172.45 1ypm s LEU 123 N -4.10 3.76 0.46 0.00 1.43 -1.26 -0.74 118.68 118.23 1ypm s LEU 123 Ca 0.57 0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.57 1ypm s LEU 123 Cb -0.10 -2.17 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 1ypm s LEU 123 CO 0.33 0.28 0.96 -2.16 0.23 0.00 0.00 176.35 175.99 1ypm s PRO 124 N -1.65 4.13 0.53 1.29 0.04 -1.26 -4.92 135.00 133.16 1ypm s PRO 124 Ca 0.21 1.08 0.08 0.00 0.04 0.00 0.00 61.00 62.41 1ypm s PRO 124 Cb -0.12 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.34 1ypm s PRO 124 CO 0.12 -0.11 0.66 -0.40 0.04 0.00 0.00 177.00 177.31 1ypm n ASP 125 N -0.92 2.10 -0.21 6.66 5.68 -1.26 -4.80 116.55 123.80 1ypm n ASP 125 Ca 0.07 -2.49 0.10 0.00 -0.50 0.00 0.00 54.79 51.97 1ypm n ASP 125 Cb 0.54 -0.31 0.39 0.00 -1.14 0.00 0.00 41.12 40.60 1ypm n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ypm h ARG 126 N 0.00 0.64 0.14 0.11 2.43 -1.98 -2.22 114.38 113.51 1ypm h ARG 126 Ca -0.27 -0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 58.58 1ypm h ARG 126 Cb 1.16 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1ypm h ARG 126 CO 0.39 0.43 -1.28 0.93 -1.51 0.00 0.00 179.97 178.93 1ypm h GLU 127 N 0.66 0.30 0.00 0.20 3.07 -2.04 -1.28 114.58 115.50 1ypm h GLU 127 Ca 0.37 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1ypm h GLU 127 Cb 0.53 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1ypm h GLU 127 CO -0.14 1.24 0.00 2.41 -1.40 0.00 0.00 179.01 181.12 1ypm n THR 128 N -3.55 0.00 0.00 1.13 -1.04 -0.84 -0.22 114.28 109.76 1ypm n THR 128 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1ypm n THR 128 Cb 1.03 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.45 1ypm n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ypm n ALA 129 N 0.29 0.00 -0.22 2.41 0.00 -0.48 -0.97 120.51 121.53 1ypm n ALA 129 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1ypm n ALA 129 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1ypm n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ypm h SER 129 N 0.00 0.96 0.00 0.00 4.64 -0.87 -3.37 113.55 114.91 1ypm h SER 129 Ca 0.00 -0.25 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 1ypm h SER 129 Cb 0.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 1ypm h SER 129 CO 0.00 0.96 -1.83 0.18 -0.87 0.00 0.00 176.83 175.28 1ypm n LEU 129 N -4.30 0.00 -3.85 5.97 4.77 -0.15 -4.74 117.00 114.70 1ypm n LEU 129 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1ypm n LEU 129 Cb 0.27 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1ypm n LEU 129 CO 0.42 0.14 2.42 0.18 -1.33 0.00 0.00 177.39 179.22 1ypm n LEU 130 N -2.24 6.61 -4.06 2.23 4.77 -1.26 -4.79 117.00 118.27 1ypm n LEU 130 Ca -0.11 -4.25 -0.22 0.00 -0.03 0.00 0.00 56.01 51.40 1ypm n LEU 130 Cb 0.63 -1.62 -0.16 0.00 -2.33 0.00 0.00 43.42 39.94 1ypm n LEU 130 CO 0.32 1.08 -0.46 -1.10 -1.33 0.00 0.00 177.39 175.90 1ypm s GLN 131 N 2.59 1.26 0.22 3.23 -0.21 -1.26 -4.94 119.66 120.54 1ypm s GLN 131 Ca 0.46 -0.43 -0.31 0.00 0.02 0.00 0.00 55.36 55.09 1ypm s GLN 131 Cb 0.12 -1.14 -0.14 0.00 1.00 0.00 0.00 33.01 32.84 1ypm s GLN 131 CO -0.05 0.18 1.25 0.00 -2.12 0.00 0.00 175.29 174.55 1ypm n ALA 132 N 3.16 0.12 0.00 6.09 0.00 -1.26 -0.95 120.51 127.66 1ypm n ALA 132 Ca -0.18 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1ypm n ALA 132 Cb 0.54 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1ypm n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ypm n GLY 133 N 1.94 3.09 3.72 0.00 0.00 -0.32 -4.95 105.19 108.67 1ypm n GLY 133 Ca 0.13 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1ypm n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypm s TYR 134 N -1.43 3.33 0.21 1.61 1.51 -0.13 -4.61 117.35 117.83 1ypm s TYR 134 Ca 0.00 1.12 -0.14 0.00 -1.01 0.00 0.00 57.07 57.04 1ypm s TYR 134 Cb 0.00 -3.57 -0.07 0.00 -0.11 0.00 0.00 41.96 38.21 1ypm s TYR 134 CO 0.00 -1.89 0.60 0.15 -1.11 0.00 0.00 175.55 173.30 1ypm s LYS 135 N 0.94 3.97 0.46 -0.62 1.02 -1.26 -1.09 119.74 123.17 1ypm s LYS 135 Ca 0.61 0.51 0.05 0.00 0.02 0.00 0.00 55.97 57.16 1ypm s LYS 135 Cb -0.34 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1ypm s LYS 135 CO 0.31 0.37 0.15 0.20 -0.92 0.00 0.00 175.35 175.46 1ypm s GLY 136 N -1.98 2.56 -0.08 -3.33 0.00 -0.28 -4.83 107.32 99.37 1ypm s GLY 136 Ca 0.44 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.68 1ypm s GLY 136 CO 0.20 -2.02 -0.19 -1.60 0.00 0.00 0.00 173.10 169.48 1ypm s ARG 137 N -3.94 2.49 -0.05 2.90 3.52 0.48 -0.29 118.95 124.07 1ypm s ARG 137 Ca 0.29 -0.70 0.06 0.00 -0.13 0.00 0.00 55.73 55.26 1ypm s ARG 137 Cb 0.03 -1.94 -0.02 0.00 -1.56 0.00 0.00 34.95 31.47 1ypm s ARG 137 CO 0.16 0.13 -0.24 0.08 -0.81 0.00 0.00 175.30 174.62 1ypm s VAL 138 N 0.45 2.19 0.07 7.11 1.01 0.73 -1.36 120.40 130.60 1ypm s VAL 138 Ca -0.17 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 60.84 1ypm s VAL 138 Cb -0.17 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1ypm s VAL 138 CO 0.07 0.57 -0.16 0.42 0.00 0.00 0.00 175.10 176.00 1ypm s THR 139 N -0.33 1.25 0.00 3.92 -4.23 -1.23 -0.83 115.64 114.19 1ypm s THR 139 Ca 0.02 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1ypm s THR 139 Cb -0.12 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1ypm s THR 139 CO 0.02 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1ypm n GLY 140 N 1.36 0.49 1.32 3.99 0.00 -0.79 -4.49 105.19 107.07 1ypm n GLY 140 Ca -0.20 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 44.90 1ypm n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ypm n TRP 141 N -0.34 1.46 -1.44 1.61 8.01 -1.26 -1.53 117.44 123.95 1ypm n TRP 141 Ca 0.00 -0.97 -0.27 0.00 -1.31 0.00 0.00 57.50 54.95 1ypm n TRP 141 Cb 0.00 -0.44 0.20 0.00 -2.01 0.00 0.00 31.31 29.07 1ypm n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ypm n GLY 142 N -0.27 -2.07 3.56 6.99 0.00 -1.26 -4.61 105.19 107.53 1ypm n GLY 142 Ca 0.27 -1.60 -0.48 0.00 0.00 0.00 0.00 46.02 44.21 1ypm n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ypm n ASN 143 N -4.20 1.03 0.09 1.61 4.13 0.77 -2.69 115.26 116.00 1ypm n ASN 143 Ca 0.14 1.15 0.13 0.00 1.68 0.00 0.00 54.58 57.68 1ypm n ASN 143 Cb 0.52 -1.19 0.32 0.00 -1.54 0.00 0.00 39.78 37.89 1ypm n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ypm n LEU 144 N 1.83 0.79 -3.99 3.41 4.77 0.61 -1.03 117.00 123.40 1ypm n LEU 144 Ca 0.14 0.45 -0.09 0.00 -0.03 0.00 0.00 56.01 56.49 1ypm n LEU 144 Cb 0.25 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1ypm n LEU 144 CO 0.60 -0.14 -0.29 -0.54 -1.33 0.00 0.00 177.39 175.69 1ypm s LYS 145 N -3.13 0.52 0.54 3.23 1.02 -1.26 -4.28 119.74 116.39 1ypm s LYS 145 Ca 0.09 -0.84 0.26 0.00 0.02 0.00 0.00 55.97 55.50 1ypm s LYS 145 Cb 0.13 0.19 1.44 0.00 -0.52 0.00 0.00 37.83 39.06 1ypm s LYS 145 CO 0.64 -0.11 2.01 1.49 -0.92 0.00 0.00 175.35 178.47 1ypm h GLU 146 N 3.80 0.00 -0.28 1.68 4.81 -1.90 -3.48 114.58 119.22 1ypm h GLU 146 Ca -0.33 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.67 1ypm h GLU 146 Cb 1.18 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.29 1ypm h GLU 146 CO 0.52 0.00 -0.69 -2.37 -0.73 0.00 0.00 179.01 175.74 1ypm n THR 147 N -4.23 0.55 0.08 0.32 5.66 -1.26 -4.91 114.28 110.49 1ypm n THR 147 Ca 0.08 -1.99 0.00 0.00 -3.05 0.00 0.00 64.05 59.08 1ypm n THR 147 Cb 0.54 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.37 1ypm n THR 147 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ypm n GLY 150 N -0.88 -0.84 3.63 1.09 0.00 -1.26 -5.10 105.19 101.83 1ypm n GLY 150 Ca -0.04 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1ypm n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ypm s GLN 151 N -1.41 2.42 0.30 1.61 -1.52 -1.26 -0.28 119.66 119.51 1ypm s GLN 151 Ca 0.00 -0.87 -0.11 0.00 -1.95 0.00 0.00 55.36 52.44 1ypm s GLN 151 Cb 0.00 -2.46 -0.07 0.00 -0.22 0.00 0.00 33.01 30.26 1ypm s GLN 151 CO 0.00 0.55 0.66 -1.25 -0.25 0.00 0.00 175.29 174.99 1ypm s PRO 152 N -2.05 3.83 0.09 2.91 0.04 -1.26 -4.93 135.00 133.63 1ypm s PRO 152 Ca 0.22 0.40 -0.10 0.00 0.04 0.00 0.00 61.00 61.56 1ypm s PRO 152 Cb -0.11 -2.52 -0.19 0.00 0.04 0.00 0.00 34.50 31.71 1ypm s PRO 152 CO 0.14 0.17 1.22 1.03 0.04 0.00 0.00 177.00 179.61 1ypm h SER 153 N 2.05 0.75 -4.26 6.66 0.87 -1.97 -3.42 113.55 114.23 1ypm h SER 153 Ca -0.47 -0.62 -0.35 0.00 -1.23 0.00 0.00 61.79 59.12 1ypm h SER 153 Cb 1.18 -0.23 -0.14 0.00 -0.44 0.00 0.00 62.40 62.76 1ypm h SER 153 CO 0.66 1.42 -0.64 0.68 -0.53 0.00 0.00 176.83 178.43 1ypm s VAL 154 N -3.23 0.75 0.18 2.23 -7.23 -1.26 -1.17 120.40 110.66 1ypm s VAL 154 Ca -0.08 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 57.77 1ypm s VAL 154 Cb 0.07 -2.46 -0.16 0.00 0.56 0.00 0.00 36.38 34.40 1ypm s VAL 154 CO 0.90 -0.19 1.13 -0.11 -0.31 0.00 0.00 175.10 176.52 1ypm n LEU 155 N -0.42 1.48 -4.78 1.32 7.94 0.11 -4.82 117.00 117.84 1ypm n LEU 155 Ca -0.03 1.15 -0.30 0.00 -1.11 0.00 0.00 56.01 55.71 1ypm n LEU 155 Cb 0.65 -1.21 -0.06 0.00 0.53 0.00 0.00 43.42 43.32 1ypm n LEU 155 CO 0.37 -1.35 -0.26 -1.10 -1.11 0.00 0.00 177.39 173.93 1ypm s GLN 156 N -0.51 2.88 0.04 1.96 -1.52 -0.58 -0.48 119.66 121.45 1ypm s GLN 156 Ca 0.72 -0.69 0.03 0.00 -1.95 0.00 0.00 55.36 53.46 1ypm s GLN 156 Cb -0.84 -2.73 -0.02 0.00 -0.22 0.00 0.00 33.01 29.20 1ypm s GLN 156 CO 0.53 0.56 -0.09 0.54 -0.25 0.00 0.00 175.29 176.59 1ypm s VAL 157 N -1.39 0.67 -0.15 1.09 0.11 0.59 -1.89 120.40 119.43 1ypm s VAL 157 Ca 0.29 -0.95 -0.11 0.00 -2.93 0.00 0.00 61.98 58.28 1ypm s VAL 157 Cb -0.12 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1ypm s VAL 157 CO 0.22 -0.23 0.38 0.54 -3.33 0.00 0.00 175.10 172.68 1ypm s VAL 158 N -1.08 -0.01 -0.09 2.04 0.11 -0.01 -0.89 120.40 120.46 1ypm s VAL 158 Ca -0.05 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.91 1ypm s VAL 158 Cb -0.08 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1ypm s VAL 158 CO 0.01 0.02 0.31 0.20 -3.33 0.00 0.00 175.10 172.31 1ypm s ASN 159 N 0.66 6.59 -0.03 3.54 0.01 -1.26 -0.19 114.94 124.26 1ypm s ASN 159 Ca -0.04 0.69 -0.03 0.00 -0.71 0.00 0.00 52.86 52.78 1ypm s ASN 159 Cb -0.05 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.43 1ypm s ASN 159 CO -0.04 0.25 0.08 -0.76 -1.51 0.00 0.00 177.10 175.12 1ypm s LEU 160 N -0.46 1.67 0.27 0.60 1.43 0.60 -4.97 118.68 117.82 1ypm s LEU 160 Ca 0.19 0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 53.17 1ypm s LEU 160 Cb -0.14 0.26 -0.09 0.00 0.03 0.00 0.00 46.19 46.25 1ypm s LEU 160 CO 0.08 -0.03 0.96 -2.16 0.23 0.00 0.00 176.35 175.42 1ypm s PRO 161 N 0.09 4.73 0.27 1.29 0.04 -1.26 -1.13 135.00 139.04 1ypm s PRO 161 Ca -0.00 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1ypm s PRO 161 Cb -0.01 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.34 1ypm s PRO 161 CO -0.00 0.40 1.34 0.42 0.04 0.00 0.00 177.00 179.19 1ypm s ILE 162 N -1.33 2.85 0.07 0.56 1.01 -0.25 -0.92 121.20 123.19 1ypm s ILE 162 Ca 0.45 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.90 1ypm s ILE 162 Cb -0.24 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1ypm s ILE 162 CO 0.30 0.15 0.07 -0.69 0.00 0.00 0.00 174.94 174.77 1ypm s VAL 163 N -0.52 4.50 0.28 2.92 1.01 0.71 -1.17 120.40 128.12 1ypm s VAL 163 Ca 0.53 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1ypm s VAL 163 Cb -0.39 -3.15 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 1ypm s VAL 163 CO 0.46 0.15 1.20 -0.62 0.00 0.00 0.00 175.10 176.29 1ypm n GLU 164 N 0.55 1.73 -0.08 2.72 4.71 -1.26 -4.62 120.64 124.40 1ypm n GLU 164 Ca -0.09 0.61 -0.07 0.00 -0.01 0.00 0.00 57.16 57.59 1ypm n GLU 164 Cb 0.52 -2.12 -0.00 0.00 -1.01 0.00 0.00 31.44 28.82 1ypm n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1ypm h ARG 165 N 2.78 0.19 -0.44 3.49 9.65 -1.97 -0.79 114.38 127.29 1ypm h ARG 165 Ca -0.43 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.43 1ypm h ARG 165 Cb 1.31 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.82 1ypm h ARG 165 CO 0.65 0.13 0.25 -1.35 2.80 0.00 0.00 179.97 182.45 1ypm h PRO 166 N 0.20 0.60 -0.30 0.20 0.11 -1.99 -0.40 132.00 130.42 1ypm h PRO 166 Ca 0.13 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.02 1ypm h PRO 166 Cb 0.12 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 1ypm h PRO 166 CO -0.15 0.44 -0.49 0.28 -0.21 0.00 0.00 178.00 177.87 1ypm h VAL 167 N 0.61 1.28 -0.24 3.15 2.07 -1.74 -0.59 116.25 120.80 1ypm h VAL 167 Ca 0.16 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 66.03 1ypm h VAL 167 Cb 0.01 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1ypm h VAL 167 CO -0.03 0.55 0.08 0.00 0.02 0.00 0.00 177.57 178.19 1ypm h LYS 169 N 0.18 0.72 0.00 0.00 3.64 -0.76 -1.76 116.57 118.59 1ypm h LYS 169 Ca 0.10 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ypm h LYS 169 Cb 0.08 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1ypm h LYS 169 CO -0.11 0.68 0.00 -0.25 -2.27 0.00 0.00 179.45 177.49 1ypm n ASP 170 N -4.28 0.00 0.00 4.20 8.00 -0.26 -2.99 116.55 121.22 1ypm n ASP 170 Ca 0.03 -0.49 0.11 0.00 0.71 0.00 0.00 54.79 55.15 1ypm n ASP 170 Cb 0.23 -0.14 0.06 0.00 -0.02 0.00 0.00 41.12 41.25 1ypm n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ypm n SER 171 N -1.14 0.74 -3.83 -2.24 3.41 -0.66 -4.99 113.62 104.91 1ypm n SER 171 Ca 0.17 -0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 58.08 1ypm n SER 171 Cb 0.15 0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 64.67 1ypm n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ypm s THR 172 N -3.02 0.11 -0.71 6.66 -1.32 -1.16 -4.84 115.64 111.36 1ypm s THR 172 Ca 0.09 -0.88 0.25 0.00 -1.21 0.00 0.00 61.69 59.94 1ypm s THR 172 Cb 0.17 -0.94 0.18 0.00 -1.51 0.00 0.00 72.50 70.40 1ypm s THR 172 CO 0.79 -0.49 1.58 0.54 -2.21 0.00 0.00 174.62 174.83 1ypm n ARG 173 N 0.63 0.26 -2.16 7.08 1.74 -1.26 -4.88 116.66 118.07 1ypm n ARG 173 Ca -0.19 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.64 1ypm n ARG 173 Cb 0.59 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 1ypm n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ypm s ILE 174 N -3.12 2.82 -0.24 0.55 -1.09 -1.26 -4.97 121.20 113.89 1ypm s ILE 174 Ca 0.09 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 59.04 1ypm s ILE 174 Cb 0.13 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 1ypm s ILE 174 CO 0.65 0.20 1.13 -0.60 -1.23 0.00 0.00 174.94 175.09 1ypm s ARG 175 N -1.75 4.18 0.18 2.79 3.52 -1.26 -5.01 118.95 121.60 1ypm s ARG 175 Ca 0.48 1.37 -0.17 0.00 -0.13 0.00 0.00 55.73 57.28 1ypm s ARG 175 Cb -0.39 -3.71 -0.08 0.00 -1.56 0.00 0.00 34.95 29.21 1ypm s ARG 175 CO 0.51 -0.75 0.63 0.42 -0.81 0.00 0.00 175.30 175.31 1ypm s ILE 176 N 3.48 4.72 0.44 4.11 -1.09 -1.26 -4.83 121.20 126.76 1ypm s ILE 176 Ca 0.48 1.05 0.03 0.00 -2.23 0.00 0.00 60.65 59.98 1ypm s ILE 176 Cb -0.16 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1ypm s ILE 176 CO 0.12 0.22 0.04 0.42 -1.23 0.00 0.00 174.94 174.51 1ypm s THR 177 N -1.50 1.23 -0.29 2.92 -4.23 -1.26 -5.03 115.64 107.49 1ypm s THR 177 Ca 0.40 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.18 1ypm s THR 177 Cb -0.16 -2.48 0.29 0.00 1.34 0.00 0.00 72.50 71.49 1ypm s THR 177 CO 0.20 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.52 1ypm h ASP 178 N 1.65 0.00 -0.14 3.99 3.32 -2.02 -2.60 116.42 120.62 1ypm h ASP 178 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1ypm h ASP 178 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1ypm h ASP 178 CO 0.71 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.82 1ypm n ASN 179 N -2.49 0.80 -4.11 6.45 3.02 -1.26 -4.86 115.26 112.81 1ypm n ASN 179 Ca 0.02 -1.90 -0.12 0.00 -0.03 0.00 0.00 54.58 52.54 1ypm n ASN 179 Cb 0.24 -0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.22 1ypm n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ypm s MET 180 N -1.82 0.68 0.13 3.52 -1.94 -0.98 -0.56 119.30 118.33 1ypm s MET 180 Ca 0.15 -1.02 -0.03 0.00 -1.71 0.00 0.00 55.69 53.08 1ypm s MET 180 Cb 0.07 -0.29 -0.03 0.00 2.01 0.00 0.00 34.83 36.60 1ypm s MET 180 CO 0.11 0.03 0.11 -0.59 -0.01 0.00 0.00 175.02 174.67 1ypm s PHE 181 N -2.33 0.66 0.15 -0.03 -0.12 -0.48 -4.82 117.98 111.02 1ypm s PHE 181 Ca -0.00 -1.06 0.08 0.00 -0.05 0.00 0.00 56.93 55.90 1ypm s PHE 181 Cb -0.04 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 1ypm s PHE 181 CO -0.02 -0.56 -0.17 0.00 -0.05 0.00 0.00 175.22 174.43 1ypm s ALA 183 N -2.02 -0.29 0.00 0.00 0.00 -0.48 -0.21 121.76 118.75 1ypm s ALA 183 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1ypm s ALA 183 Cb -0.06 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1ypm s ALA 183 CO 0.05 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1ypm n GLY 184 N 1.39 4.40 3.79 0.00 0.00 -0.09 -2.08 105.19 112.60 1ypm n GLY 184 Ca -0.23 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 1ypm n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ypm s TYR 184 N -2.00 3.74 0.83 1.61 2.02 -1.26 -4.55 117.35 117.74 1ypm s TYR 184 Ca 0.00 1.69 -0.11 0.00 -0.37 0.00 0.00 57.07 58.27 1ypm s TYR 184 Cb 0.00 -2.84 0.09 0.00 -0.40 0.00 0.00 41.96 38.81 1ypm s TYR 184 CO 0.00 0.30 1.10 0.15 -1.57 0.00 0.00 175.55 175.53 1ypm s LYS 185 N -1.84 1.79 0.21 -0.62 3.01 -1.26 -4.84 119.74 116.18 1ypm s LYS 185 Ca 0.46 0.72 -0.10 0.00 -1.01 0.00 0.00 55.97 56.04 1ypm s LYS 185 Cb -0.19 -1.88 0.15 0.00 -1.01 0.00 0.00 37.83 34.90 1ypm s LYS 185 CO 0.24 -1.84 1.83 -1.35 0.51 0.00 0.00 175.35 174.74 1ypm h PRO 186 N -1.26 1.05 0.00 -1.68 0.11 -1.96 -2.88 132.00 125.38 1ypm h PRO 186 Ca -0.48 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.51 1ypm h PRO 186 Cb 1.27 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ypm h PRO 186 CO 0.57 0.77 -0.00 -0.44 -0.21 0.00 0.00 178.00 178.70 1ypm h ASP 186 N 1.04 0.00 1.55 -2.05 5.19 -1.96 -2.57 116.42 117.62 1ypm h ASP 186 Ca 0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1ypm h ASP 186 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1ypm h ASP 186 CO -0.04 0.00 0.00 -0.33 -3.12 0.00 0.00 179.24 175.75 1ypm h GLU 186 N 0.00 0.00 0.00 3.56 5.08 -1.88 -3.47 114.58 117.87 1ypm h GLU 186 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ypm h GLU 186 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ypm h GLU 186 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1ypm n GLY 186 N 1.25 1.62 3.62 -3.84 0.00 -0.97 -4.96 105.19 101.91 1ypm n GLY 186 Ca 0.05 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1ypm n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ypm n LYS 186 N 0.00 0.94 -4.61 1.61 5.02 -1.26 -5.02 118.16 114.84 1ypm n LYS 186 Ca 0.00 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.36 1ypm n LYS 186 Cb 0.00 -2.16 -0.07 0.00 -0.02 0.00 0.00 35.03 32.77 1ypm n LYS 186 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ypm s ARG 187 N -2.71 2.07 0.00 1.97 0.52 -1.26 -4.66 118.95 114.88 1ypm s ARG 187 Ca 0.75 -2.30 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 1ypm s ARG 187 Cb -0.42 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.21 1ypm s ARG 187 CO 0.48 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1ypm n GLY 188 N -1.07 3.78 3.56 -3.53 0.00 -1.26 -4.91 105.19 101.76 1ypm n GLY 188 Ca -0.11 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 1ypm n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ypm s ASP 189 N 0.00 -0.26 0.84 1.61 2.15 -1.01 -4.70 116.67 115.31 1ypm s ASP 189 Ca 0.00 0.09 -0.12 0.00 0.43 0.00 0.00 52.55 52.96 1ypm s ASP 189 Cb 0.00 0.25 0.10 0.00 -0.30 0.00 0.00 42.92 42.97 1ypm s ASP 189 CO 0.00 -0.37 1.12 0.00 -0.17 0.00 0.00 175.17 175.75 1ypm s ALA 190 N -2.24 2.12 0.15 3.66 0.00 -1.26 -0.41 121.76 123.77 1ypm s ALA 190 Ca 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 1ypm s ALA 190 Cb -0.01 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.07 1ypm s ALA 190 CO -0.05 -1.93 0.25 0.00 0.00 0.00 0.00 175.76 174.03 1ypm n GLU 192 N -0.22 1.70 0.00 0.00 2.13 -1.26 -1.33 120.64 121.65 1ypm n GLU 192 Ca -0.01 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1ypm n GLU 192 Cb 0.24 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1ypm n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ypm n GLY 193 N 2.28 2.91 0.10 8.31 0.00 -1.26 -0.16 105.19 117.37 1ypm n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1ypm n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ypm h ASP 194 N 0.00 0.00 -0.73 1.61 3.32 -1.56 -3.32 116.42 115.75 1ypm h ASP 194 Ca 0.00 -0.10 -0.59 0.00 0.02 0.00 0.00 57.03 56.36 1ypm h ASP 194 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.58 1ypm h ASP 194 CO 0.00 0.05 0.18 -1.20 -1.72 0.00 0.00 179.24 176.54 1ypm n SER 195 N -2.32 0.25 0.00 6.45 7.64 -1.26 -2.01 113.62 122.37 1ypm n SER 195 Ca 0.04 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1ypm n SER 195 Cb 0.46 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1ypm n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ypm n GLY 196 N 1.61 1.58 3.84 0.23 0.00 -0.43 0.37 105.19 112.39 1ypm n GLY 196 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1ypm n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ypm s GLY 197 N -2.00 1.62 0.16 -0.02 0.00 -0.85 -3.07 107.32 103.15 1ypm s GLY 197 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 44.72 44.27 1ypm s GLY 197 CO 0.00 0.10 0.55 2.56 0.00 0.00 0.00 173.10 176.32 1ypm s PRO 198 N -5.28 3.97 -0.36 2.90 0.04 -1.26 -0.21 135.00 134.79 1ypm s PRO 198 Ca 0.60 0.48 -0.10 0.00 0.04 0.00 0.00 61.00 62.02 1ypm s PRO 198 Cb -0.13 -2.90 0.03 0.00 0.04 0.00 0.00 34.50 31.54 1ypm s PRO 198 CO 0.53 0.46 0.18 0.12 0.04 0.00 0.00 177.00 178.33 1ypm s PHE 199 N -1.50 3.24 0.15 0.56 2.19 0.03 -3.50 117.98 119.16 1ypm s PHE 199 Ca 0.39 -1.05 0.09 0.00 0.33 0.00 0.00 56.93 56.69 1ypm s PHE 199 Cb -0.15 -2.40 -0.04 0.00 -1.31 0.00 0.00 43.02 39.12 1ypm s PHE 199 CO 0.19 -0.66 -0.16 0.14 1.83 0.00 0.00 175.22 176.57 1ypm s VAL 200 N 1.52 2.91 0.04 3.12 -7.23 -0.47 -0.76 120.40 119.54 1ypm s VAL 200 Ca 0.01 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1ypm s VAL 200 Cb -0.19 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1ypm s VAL 200 CO 0.06 -0.01 -0.12 -0.04 -0.31 0.00 0.00 175.10 174.67 1ypm s MET 201 N -2.47 0.81 -0.31 4.82 -1.94 -0.58 -0.38 119.30 119.25 1ypm s MET 201 Ca 0.21 -0.74 -0.10 0.00 -1.71 0.00 0.00 55.69 53.35 1ypm s MET 201 Cb -0.10 -0.78 -0.01 0.00 2.01 0.00 0.00 34.83 35.95 1ypm s MET 201 CO 0.12 0.19 0.17 0.21 -0.01 0.00 0.00 175.02 175.70 1ypm s LYS 202 N -1.20 3.45 0.15 2.03 2.20 -1.26 -0.96 119.74 124.15 1ypm s LYS 202 Ca -0.01 -0.65 -0.32 0.00 -0.36 0.00 0.00 55.97 54.63 1ypm s LYS 202 Cb -0.08 -3.61 -0.12 0.00 -1.51 0.00 0.00 37.83 32.51 1ypm s LYS 202 CO 0.01 -0.38 1.76 0.45 -0.36 0.00 0.00 175.35 176.82 1ypm n SER 203 N 5.01 3.82 0.11 1.43 2.88 -0.04 -4.87 113.62 121.97 1ypm n SER 203 Ca -0.14 1.03 0.13 0.00 -1.33 0.00 0.00 58.87 58.56 1ypm n SER 203 Cb 0.50 -1.52 0.44 0.00 -0.75 0.00 0.00 64.21 62.87 1ypm n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ypm n PRO 204 N 4.75 0.24 0.02 -1.46 -0.04 -1.26 -1.38 135.00 135.87 1ypm n PRO 204 Ca 0.17 0.29 -0.19 0.00 -0.04 0.00 0.00 63.50 63.74 1ypm n PRO 204 Cb 0.34 -1.83 -0.14 0.00 -0.04 0.00 0.00 33.50 31.83 1ypm n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ypm h PHE 204 N 0.00 0.43 0.00 0.54 0.04 -1.98 -3.41 116.94 112.56 1ypm h PHE 204 Ca 0.00 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.46 1ypm h PHE 204 Cb 0.61 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1ypm h PHE 204 CO 0.00 1.23 0.00 0.27 -0.60 0.00 0.00 178.31 179.21 1ypm n ASN 204 N -4.24 1.00 -2.97 2.17 0.23 -1.24 -5.01 115.26 105.20 1ypm n ASN 204 Ca -0.13 -1.49 -0.19 0.00 -0.53 0.00 0.00 54.58 52.24 1ypm n ASN 204 Cb 0.74 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.44 1ypm n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ypm n ASN 205 N -0.25 -4.15 -4.69 0.53 3.02 -0.48 -4.98 115.26 104.27 1ypm n ASN 205 Ca 0.00 -0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 54.10 1ypm n ASN 205 Cb 0.36 -3.45 -0.08 0.00 -0.61 0.00 0.00 39.78 36.01 1ypm n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ypm s ARG 206 N -5.61 2.53 -0.08 3.52 0.52 -1.24 -4.82 118.95 113.78 1ypm s ARG 206 Ca 0.24 -0.90 -0.21 0.00 -0.52 0.00 0.00 55.73 54.34 1ypm s ARG 206 Cb -0.12 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 1ypm s ARG 206 CO 0.29 0.52 0.60 -1.58 0.02 0.00 0.00 175.30 175.15 1ypm s TRP 207 N -1.43 3.56 -0.03 -0.53 0.52 -1.26 -0.86 118.94 118.91 1ypm s TRP 207 Ca 0.26 1.10 0.07 0.00 0.02 0.00 0.00 56.10 57.55 1ypm s TRP 207 Cb -0.11 -2.68 -0.02 0.00 -1.15 0.00 0.00 33.47 29.50 1ypm s TRP 207 CO 0.19 0.14 -0.24 0.71 0.02 0.00 0.00 176.95 177.77 1ypm s TYR 208 N 0.65 2.39 -0.36 -1.98 2.02 -0.13 -1.82 117.35 118.12 1ypm s TYR 208 Ca 0.32 -0.41 -0.16 0.00 -0.37 0.00 0.00 57.07 56.46 1ypm s TYR 208 Cb -0.17 -1.52 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1ypm s TYR 208 CO 0.15 -0.01 0.38 -1.14 -1.57 0.00 0.00 175.55 173.36 1ypm s GLN 209 N -0.62 3.44 -0.05 -0.62 0.74 0.08 -1.52 119.66 121.10 1ypm s GLN 209 Ca 0.10 -0.51 0.15 0.00 0.05 0.00 0.00 55.36 55.16 1ypm s GLN 209 Cb -0.10 -3.85 -0.22 0.00 1.10 0.00 0.00 33.01 29.94 1ypm s GLN 209 CO -0.01 -0.61 0.56 -1.33 -0.55 0.00 0.00 175.29 173.35 1ypm n MET 210 N 5.44 0.64 -4.18 1.67 2.81 0.06 -4.41 117.12 119.16 1ypm n MET 210 Ca -0.09 0.19 -0.11 0.00 -1.81 0.00 0.00 57.70 55.88 1ypm n MET 210 Cb 0.49 -1.72 -0.10 0.00 -0.71 0.00 0.00 33.22 31.18 1ypm n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ypm s GLY 211 N -5.09 0.92 -0.07 3.03 0.00 -0.73 -1.30 107.32 104.08 1ypm s GLY 211 Ca -0.06 -1.43 0.05 0.00 0.00 0.00 0.00 44.72 43.28 1ypm s GLY 211 CO 0.83 -1.45 -0.24 -0.42 0.00 0.00 0.00 173.10 171.82 1ypm s ILE 212 N -3.74 1.97 -0.05 0.90 1.01 -0.88 -0.79 121.20 119.61 1ypm s ILE 212 Ca 0.17 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 1ypm s ILE 212 Cb 0.06 -1.68 -0.07 0.00 0.01 0.00 0.00 42.46 40.78 1ypm s ILE 212 CO -0.01 0.55 2.05 -0.69 0.00 0.00 0.00 174.94 176.83 1ypm s VAL 213 N -0.01 3.03 0.01 2.92 1.01 0.70 -1.11 120.40 126.94 1ypm s VAL 213 Ca -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1ypm s VAL 213 Cb -0.15 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1ypm s VAL 213 CO 0.05 -0.01 -0.08 -0.24 0.00 0.00 0.00 175.10 174.82 1ypm n SER 214 N 8.96 1.02 -3.86 3.32 2.88 -0.88 -1.32 113.62 123.74 1ypm n SER 214 Ca 0.23 0.15 -0.08 0.00 -1.33 0.00 0.00 58.87 57.84 1ypm n SER 214 Cb 0.42 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 1ypm n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ypm s TRP 215 N -1.95 0.05 0.09 0.66 1.48 -0.90 -4.94 118.94 113.43 1ypm s TRP 215 Ca -0.07 -0.48 -0.27 0.00 -1.06 0.00 0.00 56.10 54.23 1ypm s TRP 215 Cb 0.01 0.51 0.08 0.00 -1.16 0.00 0.00 33.47 32.91 1ypm s TRP 215 CO 0.10 -1.16 1.02 0.20 -4.06 0.00 0.00 176.95 173.05 1ypm s GLY 216 N -2.97 -0.30 -0.40 3.67 0.00 -1.26 0.06 107.32 106.12 1ypm s GLY 216 Ca 0.16 0.41 0.04 0.00 0.00 0.00 0.00 44.72 45.32 1ypm s GLY 216 CO 0.08 0.09 0.13 -0.54 0.00 0.00 0.00 173.10 172.86 1ypm s GLU 217 N -3.07 1.63 1.33 2.90 2.02 -1.26 -4.99 118.70 117.25 1ypm s GLU 217 Ca 0.11 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.98 1ypm s GLU 217 Cb -0.00 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 31.03 1ypm s GLU 217 CO -0.01 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.68 1ypm n GLY 219 N 3.85 -1.79 2.93 -1.39 0.00 -1.26 -4.80 105.19 102.73 1ypm n GLY 219 Ca 0.04 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.53 1ypm n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypm n ASP 221 N 3.54 -3.83 -4.85 0.00 2.03 -1.26 -4.63 116.55 107.55 1ypm n ASP 221 Ca -0.20 -0.88 -0.34 0.00 0.52 0.00 0.00 54.79 53.89 1ypm n ASP 221 Cb 0.54 -3.41 -0.06 0.00 -0.72 0.00 0.00 41.12 37.46 1ypm n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ypm s ARG 221 N -6.71 3.96 0.37 -0.67 0.52 -1.26 -4.94 118.95 110.22 1ypm s ARG 221 Ca 0.63 0.51 -0.28 0.00 -0.52 0.00 0.00 55.73 56.07 1ypm s ARG 221 Cb -0.33 -2.72 -0.10 0.00 0.52 0.00 0.00 34.95 32.33 1ypm s ARG 221 CO 0.87 0.34 1.34 -0.51 0.02 0.00 0.00 175.30 177.36 1ypm s ASP 222 N -2.04 6.53 0.00 0.23 1.11 -1.26 -2.57 116.67 118.67 1ypm s ASP 222 Ca 0.45 2.74 0.00 0.00 0.18 0.00 0.00 52.55 55.92 1ypm s ASP 222 Cb -0.13 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.21 1ypm s ASP 222 CO 0.20 -0.71 0.00 0.61 1.18 0.00 0.00 175.17 176.45 1ypm n GLY 223 N 0.69 2.18 3.67 0.21 0.00 -1.26 -5.01 105.19 105.68 1ypm n GLY 223 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1ypm n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypm s LYS 224 N -0.09 2.40 0.04 1.61 -0.14 -1.06 -4.74 119.74 117.76 1ypm s LYS 224 Ca 0.00 -1.34 0.02 0.00 -1.36 0.00 0.00 55.97 53.29 1ypm s LYS 224 Cb 0.00 -2.23 -0.02 0.00 -1.68 0.00 0.00 37.83 33.89 1ypm s LYS 224 CO 0.00 0.38 -0.07 0.71 -0.76 0.00 0.00 175.35 175.60 1ypm s TYR 225 N -2.26 0.63 0.28 3.18 2.02 -1.26 -4.70 117.35 115.24 1ypm s TYR 225 Ca 0.31 -0.52 -0.28 0.00 -0.37 0.00 0.00 57.07 56.21 1ypm s TYR 225 Cb -0.07 -0.38 -0.09 0.00 -0.40 0.00 0.00 41.96 41.02 1ypm s TYR 225 CO 0.21 -0.10 0.95 0.20 -1.57 0.00 0.00 175.55 175.23 1ypm s GLY 226 N -1.61 2.97 -0.07 0.71 0.00 -0.88 -4.65 107.32 103.79 1ypm s GLY 226 Ca -0.10 0.59 -0.01 0.00 0.00 0.00 0.00 44.72 45.19 1ypm s GLY 226 CO 0.00 1.10 -0.00 -1.36 0.00 0.00 0.00 173.10 172.84 1ypm s PHE 227 N -1.38 3.14 -0.02 1.90 0.40 0.11 -1.38 117.98 120.75 1ypm s PHE 227 Ca 0.45 0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.99 1ypm s PHE 227 Cb -0.23 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 1ypm s PHE 227 CO 0.29 0.46 -0.12 0.71 0.70 0.00 0.00 175.22 177.25 1ypm s TYR 228 N -0.91 1.16 0.18 0.36 1.51 0.53 -2.06 117.35 118.11 1ypm s TYR 228 Ca 0.14 -0.24 -0.32 0.00 -1.01 0.00 0.00 57.07 55.64 1ypm s TYR 228 Cb -0.11 -0.76 -0.11 0.00 -0.11 0.00 0.00 41.96 40.86 1ypm s TYR 228 CO 0.03 -0.05 1.68 0.99 -1.11 0.00 0.00 175.55 177.09 1ypm s THR 229 N -0.17 2.34 -0.74 -0.71 2.01 -0.27 -1.38 115.64 116.72 1ypm s THR 229 Ca 0.03 0.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 1ypm s THR 229 Cb -0.06 -3.13 0.04 0.00 0.01 0.00 0.00 72.50 69.36 1ypm s THR 229 CO -0.00 0.01 1.25 -2.28 -0.69 0.00 0.00 174.62 172.91 1ypm s HIS 230 N 1.40 2.33 0.14 4.92 2.46 0.28 -2.08 115.29 124.73 1ypm s HIS 230 Ca 0.74 -0.12 -0.15 0.00 0.47 0.00 0.00 55.06 56.00 1ypm s HIS 230 Cb -0.47 -4.59 0.00 0.00 -0.13 0.00 0.00 32.58 27.39 1ypm s HIS 230 CO 0.32 -2.03 1.64 0.28 -2.47 0.00 0.00 174.74 172.48 1ypm h VAL 231 N 6.04 1.23 -0.84 0.89 2.07 -1.49 -2.76 116.25 121.39 1ypm h VAL 231 Ca -0.27 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1ypm h VAL 231 Cb 1.05 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1ypm h VAL 231 CO 1.27 0.28 0.47 0.15 0.02 0.00 0.00 177.57 179.76 1ypm h PHE 232 N 0.57 1.13 0.00 1.57 3.57 -1.86 -0.94 116.94 120.98 1ypm h PHE 232 Ca 0.14 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1ypm h PHE 232 Cb 0.32 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1ypm h PHE 232 CO 0.02 0.78 0.00 0.00 -2.23 0.00 0.00 178.31 176.88 1ypm h ARG 233 N 1.16 0.00 -0.20 1.11 2.47 -1.86 -1.64 114.38 115.43 1ypm h ARG 233 Ca 0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1ypm h ARG 233 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1ypm h ARG 233 CO -0.05 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.76 1ypm n LEU 234 N -2.43 2.94 -0.14 3.04 4.77 -0.42 -4.68 117.00 120.08 1ypm n LEU 234 Ca 0.00 -2.49 0.08 0.00 -0.03 0.00 0.00 56.01 53.58 1ypm n LEU 234 Cb 0.16 -0.31 0.40 0.00 -2.33 0.00 0.00 43.42 41.34 1ypm n LEU 234 CO 0.17 0.66 1.20 0.50 -1.33 0.00 0.00 177.39 178.60 1ypm h LYS 235 N 1.23 0.62 -0.60 3.23 1.63 -0.65 -2.60 116.57 119.42 1ypm h LYS 235 Ca 0.00 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1ypm h LYS 235 Cb 0.95 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.41 1ypm h LYS 235 CO 0.07 0.41 0.31 0.87 -3.45 0.00 0.00 179.45 177.65 1ypm h LYS 236 N 0.63 0.85 -0.69 1.90 1.57 -1.83 -0.88 116.57 118.13 1ypm h LYS 236 Ca 0.29 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1ypm h LYS 236 Cb 0.33 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1ypm h LYS 236 CO -0.09 0.67 0.28 2.35 -0.57 0.00 0.00 179.45 182.09 1ypm h TRP 237 N 0.81 1.04 -0.54 -1.35 7.01 -1.84 -0.71 115.95 120.38 1ypm h TRP 237 Ca 0.21 -0.08 0.05 0.00 2.11 0.00 0.00 58.89 61.18 1ypm h TRP 237 Cb 0.09 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 26.79 1ypm h TRP 237 CO -0.00 0.81 0.28 0.82 -2.79 0.00 0.00 178.44 177.55 1ypm h ILE 238 N 0.98 0.96 -0.02 2.65 2.04 -1.04 -0.34 117.51 122.73 1ypm h ILE 238 Ca 0.23 -0.18 -0.18 0.00 1.00 0.00 0.00 64.86 65.73 1ypm h ILE 238 Cb 0.20 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1ypm h ILE 238 CO -0.02 0.10 -0.77 1.56 0.00 0.00 0.00 178.15 179.02 1ypm h GLN 239 N 0.53 0.19 -0.45 2.37 1.08 -0.99 -1.30 115.11 116.55 1ypm h GLN 239 Ca 0.24 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1ypm h GLN 239 Cb 0.14 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1ypm h GLN 239 CO -0.16 0.87 0.22 0.87 -0.95 0.00 0.00 178.83 179.68 1ypm h LYS 240 N 0.12 0.65 -0.69 1.46 6.56 -0.79 1.00 116.57 124.88 1ypm h LYS 240 Ca -0.03 -0.09 -0.05 0.00 -1.06 0.00 0.00 60.65 59.42 1ypm h LYS 240 Cb 1.35 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.86 1ypm h LYS 240 CO 0.12 0.55 0.23 0.28 -2.06 0.00 0.00 179.45 178.56 1ypm h VAL 241 N 0.59 1.25 0.15 0.50 2.07 -0.87 -1.21 116.25 118.73 1ypm h VAL 241 Ca 0.16 -0.87 -0.30 0.00 0.82 0.00 0.00 66.70 66.51 1ypm h VAL 241 Cb 0.11 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1ypm h VAL 241 CO -0.02 0.34 -1.37 0.40 0.02 0.00 0.00 177.57 176.94 1ypm h ILE 242 N 1.01 1.36 -0.87 4.57 2.04 -0.88 0.37 117.51 125.11 1ypm h ILE 242 Ca 0.22 -2.92 -0.01 0.00 1.00 0.00 0.00 64.86 63.16 1ypm h ILE 242 Cb 0.29 2.91 -0.04 0.00 -0.74 0.00 0.00 36.82 39.24 1ypm h ILE 242 CO -0.01 0.86 0.51 0.44 0.00 0.00 0.00 178.15 179.96 1ypm h ASP 243 N 0.09 1.05 0.20 1.72 3.45 0.11 -3.19 116.42 119.84 1ypm h ASP 243 Ca -0.19 -0.07 -0.27 0.00 0.43 0.00 0.00 57.03 56.93 1ypm h ASP 243 Cb 2.02 -0.27 0.03 0.00 -0.56 0.00 0.00 39.33 40.56 1ypm h ASP 243 CO 0.21 0.82 -1.19 -0.61 -1.57 0.00 0.00 179.24 176.89 1ypm h GLN 244 N 1.21 0.43 -0.02 3.56 4.15 -1.08 -3.51 115.11 119.85 1ypm h GLN 244 Ca 0.31 -0.73 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1ypm h GLN 244 Cb -0.03 0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1ypm h GLN 244 CO -0.06 1.35 0.00 1.19 -1.93 0.00 0.00 178.83 179.38