#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2weo s TRP 5 N 0.00 2.67 0.00 4.41 1.48 -1.26 -4.85 118.94 121.39 2weo s TRP 5 Ca 0.00 1.55 0.00 0.00 -1.06 0.00 0.00 56.10 56.59 2weo s TRP 5 Cb 0.00 -3.21 0.00 0.00 -1.16 0.00 0.00 33.47 29.10 2weo s TRP 5 CO 0.00 -1.59 0.00 0.41 -4.06 0.00 0.00 176.95 171.71 2weo n GLY 6 N -0.23 2.78 0.10 3.67 0.00 -0.18 -5.03 105.19 106.30 2weo n GLY 6 Ca 0.11 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2weo n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2weo n TYR 7 N 0.00 0.00 -2.09 1.61 4.01 -1.26 -3.84 117.16 115.58 2weo n TYR 7 Ca 0.00 -0.43 -0.28 0.00 -0.16 0.00 0.00 57.90 57.03 2weo n TYR 7 Cb 0.00 -0.06 0.17 0.00 -0.31 0.00 0.00 39.34 39.13 2weo n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2weo s GLY 8 N -1.25 1.77 0.43 2.72 0.00 -1.26 -4.71 107.32 105.02 2weo s GLY 8 Ca 0.08 -1.33 0.12 0.00 0.00 0.00 0.00 44.72 43.59 2weo s GLY 8 CO 0.01 -0.61 1.99 1.70 0.00 0.00 0.00 173.10 176.19 2weo h LYS 9 N -1.36 0.17 0.00 2.90 1.63 -1.98 -0.41 116.57 117.52 2weo h LYS 9 Ca -0.42 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2weo h LYS 9 Cb 1.24 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2weo h LYS 9 CO 0.39 0.26 -0.94 0.72 -3.45 0.00 0.00 179.45 176.43 2weo n HIS 10 N -4.35 0.01 -1.74 1.91 8.25 -1.26 -4.46 115.22 113.57 2weo n HIS 10 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2weo n HIS 10 Cb 0.21 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2weo n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2weo n ASN 11 N -1.53 0.00 -2.83 0.41 6.94 -1.17 -4.97 115.26 112.11 2weo n ASN 11 Ca 0.04 -1.71 -0.12 0.00 -0.02 0.00 0.00 54.58 52.78 2weo n ASN 11 Cb 0.34 -0.14 0.08 0.00 -2.36 0.00 0.00 39.78 37.70 2weo n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2weo n GLY 12 N 0.00 -1.03 0.52 4.83 0.00 -0.17 -1.01 105.19 108.34 2weo n GLY 12 Ca 0.00 -1.73 0.36 0.00 0.00 0.00 0.00 46.02 44.65 2weo n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2weo h PRO 13 N 0.00 0.09 0.00 1.61 0.11 -1.85 0.22 132.00 132.18 2weo h PRO 13 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2weo h PRO 13 Cb 0.49 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2weo h PRO 13 CO 0.13 0.06 0.00 -0.85 -0.21 0.00 0.00 178.00 177.13 2weo n GLU 14 N -4.32 0.13 -0.01 1.05 0.00 -1.26 -3.06 120.64 113.17 2weo n GLU 14 Ca 0.31 0.26 0.11 0.00 0.00 0.00 0.00 57.16 57.84 2weo n GLU 14 Cb 1.33 -1.70 -0.16 0.00 0.00 0.00 0.00 31.44 30.91 2weo n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2weo n HIS 15 N -1.93 0.03 -0.14 -1.84 8.25 0.76 -4.62 115.22 115.73 2weo n HIS 15 Ca 0.04 0.01 0.09 0.00 -0.26 0.00 0.00 57.72 57.60 2weo n HIS 15 Cb 0.27 -0.46 0.42 0.00 1.12 0.00 0.00 29.99 31.35 2weo n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2weo h TRP 16 N 0.00 0.61 -0.17 4.41 6.55 -1.47 -2.29 115.95 123.59 2weo h TRP 16 Ca 0.00 0.02 0.05 0.00 0.95 0.00 0.00 58.89 59.91 2weo h TRP 16 Cb 0.94 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 29.03 2weo h TRP 16 CO 0.00 0.31 0.19 1.12 -1.05 0.00 0.00 178.44 179.01 2weo h HIS 17 N 0.59 0.00 -0.08 0.49 2.07 -1.80 0.85 115.15 117.27 2weo h HIS 17 Ca 0.30 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.72 2weo h HIS 17 Cb 0.40 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.36 2weo h HIS 17 CO -0.00 0.00 -0.39 0.87 -3.07 0.00 0.00 177.93 175.33 2weo h LYS 18 N 0.00 0.17 0.00 5.12 1.57 -1.76 -2.79 116.57 118.87 2weo h LYS 18 Ca 0.08 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2weo h LYS 18 Cb 0.46 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2weo h LYS 18 CO -0.00 0.54 -1.88 -0.25 -0.57 0.00 0.00 179.45 177.29 2weo n ASP 19 N -4.05 0.69 -3.52 0.86 8.00 -0.86 -4.79 116.55 112.88 2weo n ASP 19 Ca -0.01 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.22 2weo n ASP 19 Cb 0.45 1.81 -0.10 0.00 -0.02 0.00 0.00 41.12 43.26 2weo n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2weo n PHE 20 N -2.19 1.12 0.29 1.24 3.72 0.24 -4.98 117.46 116.90 2weo n PHE 20 Ca -0.05 -3.78 0.19 0.00 -0.05 0.00 0.00 57.45 53.75 2weo n PHE 20 Cb 0.53 -0.23 0.98 0.00 -0.94 0.00 0.00 39.48 39.82 2weo n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2weo h PRO 21 N 5.07 0.00 0.00 -1.08 0.13 -1.73 0.47 132.00 134.85 2weo h PRO 21 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2weo h PRO 21 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2weo h PRO 21 CO 0.56 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.84 2weo n ILE 22 N -3.34 1.39 0.04 -3.56 3.06 -1.26 -2.00 119.36 113.69 2weo n ILE 22 Ca -0.01 0.57 0.21 0.00 -2.50 0.00 0.00 62.75 61.02 2weo n ILE 22 Cb 0.22 -1.55 0.73 0.00 0.54 0.00 0.00 39.64 39.58 2weo n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2weo h ALA 23 N 2.05 2.27 -0.53 1.51 0.00 -1.21 0.21 119.26 123.56 2weo h ALA 23 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2weo h ALA 23 Cb 0.05 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2weo h ALA 23 CO 0.00 -0.70 0.09 1.63 0.00 0.00 0.00 179.25 180.26 2weo n LYS 24 N -3.91 3.80 -0.53 0.00 5.02 -0.85 -4.96 118.16 116.73 2weo n LYS 24 Ca 0.09 -3.06 -0.12 0.00 -2.02 0.00 0.00 58.31 53.20 2weo n LYS 24 Cb 0.65 -2.12 0.09 0.00 -0.02 0.00 0.00 35.03 33.64 2weo n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2weo n GLY 25 N -0.05 -2.09 0.05 0.72 0.00 0.74 -4.99 105.19 99.56 2weo n GLY 25 Ca 0.31 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.90 2weo n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2weo n GLU 26 N -2.54 0.27 -3.06 1.61 -0.58 -1.26 -4.32 120.64 110.76 2weo n GLU 26 Ca 0.06 0.07 -0.16 0.00 -0.42 0.00 0.00 57.16 56.71 2weo n GLU 26 Cb 0.23 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 2weo n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2weo n ARG 27 N -2.04 1.05 -3.09 3.49 1.85 -1.26 -4.57 116.66 112.09 2weo n ARG 27 Ca 0.03 -3.37 -0.31 0.00 -1.00 0.00 0.00 57.85 53.20 2weo n ARG 27 Cb 0.43 -1.61 -0.05 0.00 -1.05 0.00 0.00 32.46 30.19 2weo n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2weo s GLN 28 N -2.62 3.86 0.21 2.89 -1.52 -1.26 -2.72 119.66 118.50 2weo s GLN 28 Ca 0.37 0.48 0.09 0.00 -1.95 0.00 0.00 55.36 54.35 2weo s GLN 28 Cb 0.38 -2.47 -0.05 0.00 -0.22 0.00 0.00 33.01 30.65 2weo s GLN 28 CO -0.05 0.11 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.82 2weo s SER 29 N -2.68 2.77 0.99 5.90 0.01 -1.26 -4.66 113.70 114.76 2weo s SER 29 Ca 0.51 -0.98 -0.16 0.00 1.31 0.00 0.00 55.95 56.63 2weo s SER 29 Cb -0.10 -0.17 0.22 0.00 0.21 0.00 0.00 66.02 66.18 2weo s SER 29 CO 0.24 -0.10 1.33 -0.81 0.41 0.00 0.00 173.24 174.31 2weo n PRO 30 N -0.24 -1.25 -4.20 12.44 -0.04 -1.26 -4.50 135.00 135.95 2weo n PRO 30 Ca -0.09 -2.12 -0.12 0.00 -0.04 0.00 0.00 63.50 61.13 2weo n PRO 30 Cb 0.59 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 2weo n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2weo s VAL 31 N -3.90 0.48 0.06 0.52 -7.23 -1.26 -0.50 120.40 108.57 2weo s VAL 31 Ca 0.76 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 2weo s VAL 31 Cb -0.02 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 2weo s VAL 31 CO 0.53 -0.53 0.99 -0.62 -0.31 0.00 0.00 175.10 175.16 2weo s ASP 32 N -3.11 7.40 -0.54 4.85 2.15 -1.26 -2.99 116.67 123.17 2weo s ASP 32 Ca 0.22 1.76 -0.19 0.00 0.43 0.00 0.00 52.55 54.77 2weo s ASP 32 Cb 0.07 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 40.19 2weo s ASP 32 CO 0.02 -0.19 0.63 -0.63 -0.17 0.00 0.00 175.17 174.83 2weo s ILE 33 N 0.53 4.90 -0.54 4.11 1.01 0.57 -4.94 121.20 126.83 2weo s ILE 33 Ca 0.50 -0.78 -0.26 0.00 0.00 0.00 0.00 60.65 60.11 2weo s ILE 33 Cb -0.23 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 37.91 2weo s ILE 33 CO 0.29 -0.92 1.03 -0.62 0.00 0.00 0.00 174.94 174.73 2weo s ASP 34 N 3.09 6.43 0.37 3.58 -1.08 -1.26 -0.60 116.67 127.20 2weo s ASP 34 Ca 0.12 -0.04 0.13 0.00 -0.52 0.00 0.00 52.55 52.25 2weo s ASP 34 Cb -0.22 -2.49 0.73 0.00 -1.46 0.00 0.00 42.92 39.48 2weo s ASP 34 CO 0.09 -1.27 1.82 0.71 0.52 0.00 0.00 175.17 177.04 2weo h THR 35 N 6.10 1.23 0.00 1.71 1.35 -1.95 -1.73 112.91 119.61 2weo h THR 35 Ca -0.25 -1.30 -0.12 0.00 -0.55 0.00 0.00 66.41 64.19 2weo h THR 35 Cb 1.07 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.18 2weo h THR 35 CO 1.11 0.37 -0.58 0.45 -0.25 0.00 0.00 175.52 176.61 2weo h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.04 -3.28 115.15 118.42 2weo h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2weo h HIS 36 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2weo h HIS 36 CO 0.00 0.58 -1.08 0.25 0.86 0.00 0.00 177.93 178.54 2weo n THR 37 N -3.45 0.08 -1.80 2.45 -2.24 -0.94 -4.91 114.28 103.47 2weo n THR 37 Ca 0.00 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 2weo n THR 37 Cb 0.68 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 69.36 2weo n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2weo s ALA 38 N -3.16 3.19 -0.28 6.98 0.00 -0.70 -4.86 121.76 122.95 2weo s ALA 38 Ca 0.04 1.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.34 2weo s ALA 38 Cb 0.15 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2weo s ALA 38 CO 0.83 -1.20 0.18 0.21 0.00 0.00 0.00 175.76 175.78 2weo s LYS 39 N -2.50 3.94 0.14 0.00 2.47 -0.25 -4.85 119.74 118.69 2weo s LYS 39 Ca 0.62 -0.33 -0.31 0.00 -1.56 0.00 0.00 55.97 54.39 2weo s LYS 39 Cb -0.43 -3.64 -0.10 0.00 -1.46 0.00 0.00 37.83 32.20 2weo s LYS 39 CO 0.55 -0.18 1.69 -0.47 0.16 0.00 0.00 175.35 177.10 2weo s TYR 40 N 1.74 2.64 -0.33 4.03 5.04 -1.26 -0.44 117.35 128.78 2weo s TYR 40 Ca 0.07 0.33 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 2weo s TYR 40 Cb -0.16 -4.04 0.08 0.00 0.35 0.00 0.00 41.96 38.19 2weo s TYR 40 CO 0.11 -4.07 0.03 0.34 -1.34 0.00 0.00 175.55 170.61 2weo s ASP 41 N 1.87 4.78 0.26 4.32 -1.08 -0.40 -4.86 116.67 121.56 2weo s ASP 41 Ca 0.75 -1.83 0.23 0.00 -0.52 0.00 0.00 52.55 51.18 2weo s ASP 41 Cb -0.44 -1.65 1.00 0.00 -1.46 0.00 0.00 42.92 40.36 2weo s ASP 41 CO 0.33 -0.34 1.69 -0.81 0.52 0.00 0.00 175.17 176.56 2weo n PRO 42 N 4.40 0.18 0.08 4.34 -0.04 -1.26 -1.75 135.00 140.95 2weo n PRO 42 Ca -0.04 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 2weo n PRO 42 Cb 0.42 -1.88 0.40 0.00 -0.04 0.00 0.00 33.50 32.40 2weo n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2weo n SER 43 N -2.22 0.66 -4.70 3.54 3.41 -1.26 -4.84 113.62 108.20 2weo n SER 43 Ca 0.02 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.68 2weo n SER 43 Cb 0.20 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 2weo n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2weo s LEU 44 N -4.20 4.36 0.53 1.04 1.43 -0.72 -5.00 118.68 116.12 2weo s LEU 44 Ca 0.11 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.49 2weo s LEU 44 Cb 0.14 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 2weo s LEU 44 CO 0.61 -0.78 0.93 -0.54 0.23 0.00 0.00 176.35 176.80 2weo s LYS 45 N 1.84 3.74 0.57 1.70 1.02 -1.23 -4.99 119.74 122.39 2weo s LYS 45 Ca 0.69 0.69 -0.21 0.00 0.02 0.00 0.00 55.97 57.16 2weo s LYS 45 Cb -0.38 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2weo s LYS 45 CO 0.30 -0.32 1.31 -2.14 -0.92 0.00 0.00 175.35 173.58 2weo s PRO 46 N -4.51 3.04 0.52 -1.68 0.02 -1.26 -2.99 135.00 128.13 2weo s PRO 46 Ca 0.55 2.11 -0.21 0.00 0.02 0.00 0.00 61.00 63.46 2weo s PRO 46 Cb -0.10 -2.14 -0.06 0.00 0.02 0.00 0.00 34.50 32.22 2weo s PRO 46 CO 0.41 -1.23 1.22 -0.51 -0.33 0.00 0.00 177.00 176.56 2weo s LEU 47 N -3.74 3.87 -0.29 -5.54 1.43 -1.26 -1.75 118.68 111.40 2weo s LEU 47 Ca 0.74 2.42 0.03 0.00 -1.03 0.00 0.00 54.13 56.28 2weo s LEU 47 Cb -0.38 -4.36 0.07 0.00 0.03 0.00 0.00 46.19 41.55 2weo s LEU 47 CO 0.43 -1.25 -0.05 -0.55 0.23 0.00 0.00 176.35 175.16 2weo s SER 48 N -1.36 4.60 -0.34 2.29 0.15 0.11 -4.84 113.70 114.31 2weo s SER 48 Ca 0.69 -1.59 -0.10 0.00 0.70 0.00 0.00 55.95 55.65 2weo s SER 48 Cb -0.31 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.41 2weo s SER 48 CO 0.37 -0.25 0.18 -0.69 1.20 0.00 0.00 173.24 174.04 2weo s VAL 49 N 1.07 4.58 -0.57 4.45 1.01 -1.26 -1.20 120.40 128.47 2weo s VAL 49 Ca -0.03 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2weo s VAL 49 Cb -0.20 -3.44 0.14 0.00 0.00 0.00 0.00 36.38 32.89 2weo s VAL 49 CO -0.05 -0.07 0.34 -0.44 0.00 0.00 0.00 175.10 174.87 2weo s SER 50 N 1.58 4.59 0.00 3.32 0.01 -0.07 -4.90 113.70 118.24 2weo s SER 50 Ca 0.03 -3.13 0.11 0.00 1.31 0.00 0.00 55.95 54.27 2weo s SER 50 Cb -0.18 -1.69 0.28 0.00 0.21 0.00 0.00 66.02 64.64 2weo s SER 50 CO 0.06 -0.23 1.20 -1.22 0.41 0.00 0.00 173.24 173.47 2weo n TYR 51 N 2.99 0.40 0.23 2.43 4.01 -1.26 -1.29 117.16 124.68 2weo n TYR 51 Ca 0.08 -0.44 0.06 0.00 -0.16 0.00 0.00 57.90 57.44 2weo n TYR 51 Cb 0.34 -0.02 0.54 0.00 -0.31 0.00 0.00 39.34 39.88 2weo n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2weo h ASP 52 N 2.00 0.00 -0.54 7.72 2.03 -1.91 -2.38 116.42 123.35 2weo h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2weo h ASP 52 Cb 0.70 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 2weo h ASP 52 CO 0.00 0.14 0.00 1.67 -1.03 0.00 0.00 179.24 180.02 2weo n GLN 53 N -4.37 3.83 -1.75 4.15 -0.06 -1.21 -5.01 117.38 112.95 2weo n GLN 53 Ca -0.03 -2.89 -0.41 0.00 -2.00 0.00 0.00 57.00 51.68 2weo n GLN 53 Cb 0.21 -1.93 0.00 0.00 -4.06 0.00 0.00 30.24 24.46 2weo n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2weo n ALA 54 N 0.68 1.95 -3.96 1.69 0.00 -0.90 -4.61 120.51 115.36 2weo n ALA 54 Ca 0.24 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.70 2weo n ALA 54 Cb 0.93 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 17.88 2weo n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2weo s THR 55 N -1.13 2.24 0.50 0.00 2.01 -1.26 -4.92 115.64 113.08 2weo s THR 55 Ca 0.56 -2.62 -0.20 0.00 0.31 0.00 0.00 61.69 59.74 2weo s THR 55 Cb -0.50 -2.62 -0.08 0.00 0.01 0.00 0.00 72.50 69.31 2weo s THR 55 CO 0.62 -0.69 1.06 -0.94 -0.69 0.00 0.00 174.62 173.98 2weo s SER 56 N 0.53 6.18 -0.01 3.53 1.04 -1.26 -0.84 113.70 122.87 2weo s SER 56 Ca 0.13 1.97 -0.00 0.00 0.48 0.00 0.00 55.95 58.53 2weo s SER 56 Cb -0.21 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 2weo s SER 56 CO -0.06 -0.89 -0.01 0.18 0.98 0.00 0.00 173.24 173.44 2weo n LEU 57 N -1.10 1.56 -3.45 2.42 4.77 0.44 -4.00 117.00 117.63 2weo n LEU 57 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2weo n LEU 57 Cb 0.52 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2weo n LEU 57 CO 0.41 0.27 0.50 -0.60 -1.33 0.00 0.00 177.39 176.64 2weo s ARG 58 N -2.02 1.11 -0.03 3.23 3.52 -1.22 -1.18 118.95 122.36 2weo s ARG 58 Ca -0.01 -0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 2weo s ARG 58 Cb 0.00 0.51 -0.00 0.00 -1.56 0.00 0.00 34.95 33.90 2weo s ARG 58 CO 0.02 -0.48 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.37 2weo s ILE 59 N -3.38 1.33 -0.03 4.11 2.07 -0.17 -0.67 121.20 124.47 2weo s ILE 59 Ca 0.02 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.60 2weo s ILE 59 Cb -0.01 -1.14 0.01 0.00 0.13 0.00 0.00 42.46 41.45 2weo s ILE 59 CO -0.10 0.39 -0.06 -0.22 -1.91 0.00 0.00 174.94 173.03 2weo s LEU 60 N -0.03 1.62 -0.35 8.50 0.20 -0.28 -0.97 118.68 127.37 2weo s LEU 60 Ca -0.02 -0.14 -0.20 0.00 0.69 0.00 0.00 54.13 54.46 2weo s LEU 60 Cb -0.10 -0.45 -0.00 0.00 -0.43 0.00 0.00 46.19 45.21 2weo s LEU 60 CO 0.01 0.01 0.62 0.21 -0.29 0.00 0.00 176.35 176.91 2weo s ASN 61 N 0.46 6.42 0.00 3.68 3.84 -0.26 -0.59 114.94 128.50 2weo s ASN 61 Ca -0.06 0.17 0.21 0.00 0.21 0.00 0.00 52.86 53.39 2weo s ASN 61 Cb -0.10 -2.32 0.60 0.00 -0.55 0.00 0.00 41.25 38.88 2weo s ASN 61 CO 0.00 -0.56 1.50 -0.46 -2.79 0.00 0.00 177.10 174.80 2weo n ASN 62 N 5.97 3.82 0.00 -4.21 0.23 -0.84 -0.44 115.26 119.79 2weo n ASN 62 Ca -0.02 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 2weo n ASN 62 Cb 0.49 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 2weo n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2weo n GLY 63 N 1.50 1.18 0.00 4.83 0.00 -1.26 -4.79 105.19 106.65 2weo n GLY 63 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2weo n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2weo n HIS 64 N -2.00 0.00 -3.05 1.61 8.25 -1.26 -4.72 115.22 114.05 2weo n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2weo n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2weo n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2weo n ALA 65 N -1.76 0.00 -2.43 -1.41 0.00 -1.26 -4.87 120.51 108.78 2weo n ALA 65 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2weo n ALA 65 Cb 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.68 2weo n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2weo s PHE 66 N -8.65 2.53 -0.14 0.00 -0.71 -1.26 -1.98 117.98 107.76 2weo s PHE 66 Ca 0.00 -0.31 -0.02 0.00 -1.04 0.00 0.00 56.93 55.56 2weo s PHE 66 Cb 0.00 -1.58 -0.02 0.00 -1.21 0.00 0.00 43.02 40.22 2weo s PHE 66 CO 0.00 0.06 -0.09 -0.80 -1.34 0.00 0.00 175.22 173.05 2weo s ASN 67 N -0.63 4.33 -0.29 1.98 0.02 0.24 -4.24 114.94 116.35 2weo s ASN 67 Ca 0.10 -0.25 -0.17 0.00 -1.02 0.00 0.00 52.86 51.52 2weo s ASN 67 Cb -0.11 -1.68 -0.02 0.00 0.02 0.00 0.00 41.25 39.46 2weo s ASN 67 CO 0.00 0.16 0.45 -0.69 0.02 0.00 0.00 177.10 177.04 2weo s VAL 68 N 0.37 5.10 0.03 1.60 1.01 0.12 -1.12 120.40 127.50 2weo s VAL 68 Ca -0.08 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 2weo s VAL 68 Cb -0.15 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2weo s VAL 68 CO 0.04 0.03 0.16 -1.61 0.00 0.00 0.00 175.10 173.72 2weo s GLU 69 N 2.22 3.29 0.21 2.72 2.02 0.16 -1.26 118.70 128.06 2weo s GLU 69 Ca 0.18 -0.44 0.10 0.00 0.02 0.00 0.00 54.97 54.82 2weo s GLU 69 Cb -0.16 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 2weo s GLU 69 CO 0.11 0.63 -0.19 -0.06 0.02 0.00 0.00 175.26 175.77 2weo s PHE 70 N -1.37 2.03 -0.33 1.61 0.40 -0.17 -0.42 117.98 119.73 2weo s PHE 70 Ca 0.29 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 2weo s PHE 70 Cb -0.13 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.44 2weo s PHE 70 CO 0.21 0.48 1.62 0.34 0.70 0.00 0.00 175.22 178.57 2weo s ASP 71 N -3.03 6.16 -0.30 1.36 2.15 -0.02 -4.83 116.67 118.17 2weo s ASP 71 Ca 0.22 1.20 0.09 0.00 0.43 0.00 0.00 52.55 54.49 2weo s ASP 71 Cb -0.05 -2.53 0.51 0.00 -0.30 0.00 0.00 42.92 40.55 2weo s ASP 71 CO 0.10 -1.51 1.48 -0.90 -0.17 0.00 0.00 175.17 174.17 2weo n ASP 72 N 9.34 2.54 -0.70 -0.34 5.75 -1.26 -4.56 116.55 127.31 2weo n ASP 72 Ca 0.20 -3.76 0.13 0.00 -0.01 0.00 0.00 54.79 51.34 2weo n ASP 72 Cb 0.47 -0.64 0.34 0.00 -1.03 0.00 0.00 41.12 40.26 2weo n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2weo n SER 73 N -1.11 2.17 -3.91 -1.12 3.41 -1.26 -4.89 113.62 106.90 2weo n SER 73 Ca 0.34 -1.73 -0.09 0.00 -0.26 0.00 0.00 58.87 57.12 2weo n SER 73 Cb 1.06 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 2weo n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2weo s GLN 74 N -1.92 1.30 -1.28 4.33 -0.21 -1.26 -5.07 119.66 115.56 2weo s GLN 74 Ca 0.34 -1.11 -0.10 0.00 0.02 0.00 0.00 55.36 54.51 2weo s GLN 74 Cb 0.20 0.43 -0.06 0.00 1.00 0.00 0.00 33.01 34.58 2weo s GLN 74 CO 0.31 -0.51 2.47 -0.25 -2.12 0.00 0.00 175.29 175.19 2weo n ASP 75 N -0.29 6.15 0.06 5.90 8.00 -1.26 -4.59 116.55 130.52 2weo n ASP 75 Ca -0.07 -2.54 -0.22 0.00 0.71 0.00 0.00 54.79 52.67 2weo n ASP 75 Cb 0.63 -1.38 -0.15 0.00 -0.02 0.00 0.00 41.12 40.20 2weo n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2weo h LYS 76 N 5.88 0.36 -3.37 -1.24 1.57 -1.86 -3.44 116.57 114.46 2weo h LYS 76 Ca 0.66 -0.61 -0.50 0.00 -1.87 0.00 0.00 60.65 58.33 2weo h LYS 76 Cb 0.33 0.23 -0.40 0.00 0.08 0.00 0.00 32.23 32.47 2weo h LYS 76 CO 1.71 1.28 -0.76 0.00 -0.57 0.00 0.00 179.45 181.11 2weo s ALA 77 N -2.58 0.81 0.10 3.86 0.00 -1.26 -3.10 121.76 119.60 2weo s ALA 77 Ca -0.17 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.28 2weo s ALA 77 Cb 0.06 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 2weo s ALA 77 CO 0.84 -1.18 -0.15 0.14 0.00 0.00 0.00 175.76 175.41 2weo s VAL 78 N 1.95 1.30 -0.10 0.00 -7.23 -0.41 -0.47 120.40 115.44 2weo s VAL 78 Ca 0.00 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2weo s VAL 78 Cb -0.17 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 2weo s VAL 78 CO -0.08 -0.33 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.02 2weo s LEU 79 N -2.19 2.68 0.00 1.32 2.96 0.79 -0.89 118.68 123.35 2weo s LEU 79 Ca 0.05 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2weo s LEU 79 Cb -0.07 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 45.04 2weo s LEU 79 CO 0.03 0.23 0.41 2.29 -1.32 0.00 0.00 176.35 177.99 2weo n LYS 80 N 3.10 0.60 0.00 1.98 2.85 -0.34 -1.43 118.16 124.92 2weo n LYS 80 Ca -0.18 -2.77 0.00 0.00 -1.05 0.00 0.00 58.31 54.31 2weo n LYS 80 Cb 0.53 2.56 0.00 0.00 -0.65 0.00 0.00 35.03 37.46 2weo n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2weo n GLY 81 N -0.56 0.20 7.00 2.58 0.00 -1.26 -0.71 105.19 112.44 2weo n GLY 81 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2weo n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weo n GLY 82 N 0.00 3.06 0.16 -0.02 0.00 -0.72 -1.01 105.19 106.66 2weo n GLY 82 Ca 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.04 2weo n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2weo n PRO 83 N 14.00 1.21 -3.26 1.61 -0.04 -1.26 -3.53 135.00 143.72 2weo n PRO 83 Ca 0.00 -0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 62.79 2weo n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 2weo n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2weo s LEU 84 N -2.01 4.31 -0.18 1.53 1.43 -0.18 -5.07 118.68 118.51 2weo s LEU 84 Ca 0.44 1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 54.67 2weo s LEU 84 Cb 0.22 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 2weo s LEU 84 CO 0.36 0.04 0.02 -1.81 0.23 0.00 0.00 176.35 175.20 2weo s ASP 85 N -1.79 5.20 0.00 2.29 -0.00 -1.26 -4.27 116.67 116.85 2weo s ASP 85 Ca 0.41 -0.05 0.00 0.00 -0.00 0.00 0.00 52.55 52.91 2weo s ASP 85 Cb -0.15 -1.88 0.00 0.00 -0.00 0.00 0.00 42.92 40.89 2weo s ASP 85 CO 0.20 0.14 0.00 0.61 -0.00 0.00 0.00 175.17 176.12 2weo n GLY 86 N 3.75 -1.71 3.23 0.21 0.00 -1.26 -4.94 105.19 104.47 2weo n GLY 86 Ca -0.17 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 2weo n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2weo s THR 87 N 0.00 2.15 -0.15 2.61 2.01 -1.26 -4.53 115.64 116.47 2weo s THR 87 Ca 0.00 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.03 2weo s THR 87 Cb 0.00 -1.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.68 2weo s THR 87 CO 0.00 0.55 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.01 2weo s TYR 88 N 0.41 2.75 -0.11 4.92 1.51 -0.51 -1.27 117.35 125.05 2weo s TYR 88 Ca -0.17 -1.06 -0.16 0.00 -1.01 0.00 0.00 57.07 54.68 2weo s TYR 88 Cb -0.17 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 2weo s TYR 88 CO 0.07 -0.47 0.40 0.50 -1.11 0.00 0.00 175.55 174.94 2weo s ARG 89 N 0.75 4.23 0.01 -0.62 3.52 0.10 -0.15 118.95 126.78 2weo s ARG 89 Ca -0.07 0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.55 2weo s ARG 89 Cb -0.16 -3.39 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 2weo s ARG 89 CO 0.01 0.29 1.64 -1.17 -0.81 0.00 0.00 175.30 175.25 2weo s LEU 90 N 0.24 4.34 -0.19 -0.88 2.96 0.38 -1.13 118.68 124.41 2weo s LEU 90 Ca 0.22 2.35 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 2weo s LEU 90 Cb -0.15 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.87 2weo s LEU 90 CO 0.09 -0.89 -0.16 0.00 -1.32 0.00 0.00 176.35 174.06 2weo n ILE 91 N 5.08 1.07 -3.47 6.68 3.06 -0.38 -4.47 119.36 126.93 2weo n ILE 91 Ca 0.16 -0.41 -0.10 0.00 -2.50 0.00 0.00 62.75 59.90 2weo n ILE 91 Cb 0.42 -1.16 -0.02 0.00 0.54 0.00 0.00 39.64 39.42 2weo n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2weo s GLN 92 N -2.37 1.02 0.20 9.51 1.03 -1.21 -1.00 119.66 126.84 2weo s GLN 92 Ca -0.25 -0.37 0.08 0.00 0.04 0.00 0.00 55.36 54.86 2weo s GLN 92 Cb 0.06 0.47 -0.05 0.00 0.03 0.00 0.00 33.01 33.53 2weo s GLN 92 CO 0.43 -0.45 -0.15 -0.59 -2.54 0.00 0.00 175.29 172.00 2weo s PHE 93 N -3.38 1.72 0.34 9.60 -0.12 -0.39 -0.83 117.98 124.93 2weo s PHE 93 Ca 0.03 -0.56 -0.14 0.00 -0.05 0.00 0.00 56.93 56.21 2weo s PHE 93 Cb -0.01 -0.80 0.03 0.00 -0.63 0.00 0.00 43.02 41.61 2weo s PHE 93 CO -0.11 0.36 0.69 -3.38 -0.05 0.00 0.00 175.22 172.74 2weo s HIS 94 N -2.89 0.24 0.19 3.49 -3.43 -0.68 -0.70 115.29 111.51 2weo s HIS 94 Ca 0.22 -0.77 0.06 0.00 -0.80 0.00 0.00 55.06 53.76 2weo s HIS 94 Cb -0.01 0.60 -0.05 0.00 -1.43 0.00 0.00 32.58 31.69 2weo s HIS 94 CO 0.07 -1.38 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.28 2weo s PHE 95 N -2.92 1.52 -0.02 0.38 0.40 -1.26 -0.79 117.98 115.30 2weo s PHE 95 Ca 0.18 -0.72 0.07 0.00 -0.60 0.00 0.00 56.93 55.85 2weo s PHE 95 Cb -0.04 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 2weo s PHE 95 CO 0.12 0.17 -0.21 -1.01 0.70 0.00 0.00 175.22 174.98 2weo s HIS 96 N -3.20 1.91 0.24 0.36 3.76 -0.21 -4.72 115.29 113.43 2weo s HIS 96 Ca 0.22 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.66 2weo s HIS 96 Cb 0.02 -1.23 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 2weo s HIS 96 CO 0.05 -0.03 0.42 1.67 -0.85 0.00 0.00 174.74 175.99 2weo s TRP 97 N -0.49 0.49 0.47 1.40 -2.14 -1.21 -0.85 118.94 116.61 2weo s TRP 97 Ca 0.08 -0.83 0.08 0.00 2.66 0.00 0.00 56.10 58.09 2weo s TRP 97 Cb -0.08 0.06 0.02 0.00 -3.10 0.00 0.00 33.47 30.37 2weo s TRP 97 CO -0.01 -0.93 0.50 0.20 -2.66 0.00 0.00 176.95 174.05 2weo s GLY 98 N -3.04 2.07 0.09 3.67 0.00 -1.14 -0.86 107.32 108.12 2weo s GLY 98 Ca 0.25 -1.78 0.26 0.00 0.00 0.00 0.00 44.72 43.45 2weo s GLY 98 CO 0.09 -1.71 1.60 -1.14 0.00 0.00 0.00 173.10 171.94 2weo n SER 99 N -1.78 0.52 -4.00 1.64 3.41 -1.26 -4.33 113.62 107.82 2weo n SER 99 Ca 0.06 0.25 -0.09 0.00 -0.26 0.00 0.00 58.87 58.83 2weo n SER 99 Cb 0.62 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 2weo n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2weo s LEU 100 N -3.76 2.27 0.59 1.04 1.43 -1.26 -5.05 118.68 113.94 2weo s LEU 100 Ca 0.10 -0.60 0.35 0.00 -1.03 0.00 0.00 54.13 52.95 2weo s LEU 100 Cb 0.15 0.15 1.86 0.00 0.03 0.00 0.00 46.19 48.39 2weo s LEU 100 CO 0.64 -0.37 2.20 0.44 0.23 0.00 0.00 176.35 179.49 2weo h ASP 101 N 4.28 0.00 -0.05 2.29 3.32 -1.92 -2.68 116.42 121.66 2weo h ASP 101 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2weo h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2weo h ASP 101 CO 0.47 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.64 2weo n GLY 102 N -0.85 -0.69 3.48 2.75 0.00 -1.26 -3.49 105.19 105.12 2weo n GLY 102 Ca -0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2weo n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2weo s GLN 103 N -1.93 1.33 0.00 1.61 -2.07 -1.01 -4.67 119.66 112.91 2weo s GLN 103 Ca 0.19 -0.85 0.00 0.00 -1.82 0.00 0.00 55.36 52.87 2weo s GLN 103 Cb 0.09 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 2weo s GLN 103 CO 0.14 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 2weo n GLY 104 N -0.32 2.40 3.81 2.60 0.00 -1.02 -3.19 105.19 109.46 2weo n GLY 104 Ca -0.11 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2weo n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weo s SER 105 N 0.00 5.25 -0.18 1.61 1.04 -0.46 -3.34 113.70 117.63 2weo s SER 105 Ca 0.00 1.68 -0.15 0.00 0.48 0.00 0.00 55.95 57.96 2weo s SER 105 Cb 0.00 -2.50 -0.06 0.00 0.10 0.00 0.00 66.02 63.55 2weo s SER 105 CO 0.00 -1.53 -0.25 -0.62 0.98 0.00 0.00 173.24 171.82 2weo n GLU 106 N -3.10 0.51 -1.97 4.02 1.02 -1.26 -4.85 120.64 115.01 2weo n GLU 106 Ca 0.08 0.36 -0.34 0.00 -0.02 0.00 0.00 57.16 57.23 2weo n GLU 106 Cb 0.53 -1.56 0.03 0.00 -0.02 0.00 0.00 31.44 30.43 2weo n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2weo s HIS 107 N -2.59 2.56 0.22 -0.32 3.76 -1.26 -4.22 115.29 113.44 2weo s HIS 107 Ca -0.25 1.55 0.06 0.00 -0.15 0.00 0.00 55.06 56.28 2weo s HIS 107 Cb 0.04 -3.29 -0.05 0.00 1.11 0.00 0.00 32.58 30.39 2weo s HIS 107 CO 0.37 -1.80 -0.10 0.95 -0.85 0.00 0.00 174.74 173.31 2weo s THR 108 N -1.97 1.53 -0.20 1.30 -4.23 -1.16 -4.69 115.64 106.23 2weo s THR 108 Ca 0.71 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2weo s THR 108 Cb -0.24 -2.14 0.05 0.00 1.34 0.00 0.00 72.50 71.50 2weo s THR 108 CO 0.35 -0.52 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.14 2weo s VAL 109 N -3.10 1.43 -1.60 2.29 1.01 -0.72 -0.32 120.40 119.40 2weo s VAL 109 Ca 0.24 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 2weo s VAL 109 Cb 0.02 -1.60 0.11 0.00 0.00 0.00 0.00 36.38 34.91 2weo s VAL 109 CO 0.07 0.08 0.77 0.47 0.00 0.00 0.00 175.10 176.49 2weo n ASP 110 N 4.74 -3.12 0.00 3.32 8.00 0.23 -0.62 116.55 129.10 2weo n ASP 110 Ca -0.13 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2weo n ASP 110 Cb 0.46 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.44 2weo n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2weo n LYS 111 N -4.46 0.00 -2.46 -1.24 4.76 -1.26 -4.99 118.16 108.51 2weo n LYS 111 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 2weo n LYS 111 Cb 0.54 -2.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.05 2weo n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2weo s LYS 112 N -0.14 4.47 -0.11 1.97 2.20 0.21 -5.00 119.74 123.34 2weo s LYS 112 Ca 0.00 1.74 -0.12 0.00 -0.36 0.00 0.00 55.97 57.23 2weo s LYS 112 Cb 0.00 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2weo s LYS 112 CO 0.00 -0.19 0.27 0.15 -0.36 0.00 0.00 175.35 175.23 2weo s LYS 113 N 0.79 3.93 0.54 4.03 1.02 -1.26 -1.75 119.74 127.04 2weo s LYS 113 Ca 0.57 0.10 -0.00 0.00 0.02 0.00 0.00 55.97 56.65 2weo s LYS 113 Cb -0.29 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.74 2weo s LYS 113 CO 0.30 0.52 0.78 0.71 -0.92 0.00 0.00 175.35 176.74 2weo s TYR 114 N -0.39 3.01 0.36 3.18 2.02 -1.26 -4.64 117.35 119.63 2weo s TYR 114 Ca 0.18 0.17 0.21 0.00 -0.37 0.00 0.00 57.07 57.25 2weo s TYR 114 Cb -0.14 -2.66 1.09 0.00 -0.40 0.00 0.00 41.96 39.85 2weo s TYR 114 CO 0.06 -0.77 1.95 0.00 -1.57 0.00 0.00 175.55 175.22 2weo h ALA 115 N 0.08 1.31 -2.39 3.71 0.00 -1.38 -1.12 119.26 119.46 2weo h ALA 115 Ca -0.44 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.44 2weo h ALA 115 Cb 1.28 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2weo h ALA 115 CO 0.55 0.28 0.48 0.00 0.00 0.00 0.00 179.25 180.56 2weo s ALA 116 N -4.14 -1.62 -0.08 0.00 0.00 -1.12 -2.87 121.76 111.92 2weo s ALA 116 Ca -0.02 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 2weo s ALA 116 Cb 0.13 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.96 2weo s ALA 116 CO 0.65 -1.05 0.18 -2.00 0.00 0.00 0.00 175.76 173.55 2weo s GLU 117 N -3.20 0.11 -0.06 0.00 2.12 -0.03 -1.02 118.70 116.62 2weo s GLU 117 Ca 0.13 0.48 -0.18 0.00 0.36 0.00 0.00 54.97 55.76 2weo s GLU 117 Cb -0.02 -0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.15 2weo s GLU 117 CO 0.03 -0.20 0.48 -1.17 -0.54 0.00 0.00 175.26 173.86 2weo s LEU 118 N 1.52 4.36 -0.22 2.70 2.96 0.32 -1.04 118.68 129.28 2weo s LEU 118 Ca -0.06 0.93 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 2weo s LEU 118 Cb -0.11 -2.71 0.04 0.00 0.50 0.00 0.00 46.19 43.90 2weo s LEU 118 CO -0.07 0.11 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.92 2weo s HIS 119 N -0.02 3.02 -0.38 5.38 3.76 0.03 -0.78 115.29 126.29 2weo s HIS 119 Ca 0.26 -1.97 -0.14 0.00 -0.15 0.00 0.00 55.06 53.05 2weo s HIS 119 Cb -0.16 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.60 2weo s HIS 119 CO 0.13 -0.84 0.30 -0.51 -0.85 0.00 0.00 174.74 172.96 2weo s LEU 120 N 1.20 4.78 -0.21 0.89 1.43 -0.27 -1.69 118.68 124.82 2weo s LEU 120 Ca -0.02 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 2weo s LEU 120 Cb -0.16 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 2weo s LEU 120 CO -0.09 -0.37 0.19 -0.69 0.23 0.00 0.00 176.35 175.62 2weo s VAL 121 N 1.79 5.36 0.06 -1.59 1.01 -0.01 -1.06 120.40 125.95 2weo s VAL 121 Ca 0.07 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.39 2weo s VAL 121 Cb -0.18 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2weo s VAL 121 CO 0.11 0.38 -0.14 -1.00 0.00 0.00 0.00 175.10 174.45 2weo s HIS 122 N 0.71 1.20 0.07 5.22 3.76 -0.15 -1.24 115.29 124.85 2weo s HIS 122 Ca 0.10 -0.42 0.09 0.00 -0.15 0.00 0.00 55.06 54.67 2weo s HIS 122 Cb -0.13 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.85 2weo s HIS 122 CO 0.02 0.05 -0.23 1.67 -0.85 0.00 0.00 174.74 175.39 2weo s TRP 123 N -1.13 2.03 -0.22 1.40 1.48 -0.29 -0.75 118.94 121.46 2weo s TRP 123 Ca -0.01 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.34 2weo s TRP 123 Cb -0.09 -1.17 -0.02 0.00 -1.16 0.00 0.00 33.47 31.03 2weo s TRP 123 CO 0.02 0.16 1.49 1.21 -4.06 0.00 0.00 176.95 175.78 2weo s ASN 124 N -1.48 6.56 0.38 -2.66 3.84 0.53 -0.73 114.94 121.37 2weo s ASN 124 Ca 0.09 1.59 0.27 0.00 0.21 0.00 0.00 52.86 55.02 2weo s ASN 124 Cb -0.10 -2.53 1.30 0.00 -0.55 0.00 0.00 41.25 39.37 2weo s ASN 124 CO 0.03 -1.11 1.82 0.71 -2.79 0.00 0.00 177.10 175.75 2weo h THR 125 N 5.95 0.00 0.00 -5.21 1.35 -1.53 -1.54 112.91 111.94 2weo h THR 125 Ca -0.31 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2weo h THR 125 Cb 1.13 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2weo h THR 125 CO 1.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.56 2weo n LYS 127 N -2.47 0.06 -0.02 4.72 2.85 -1.26 -2.12 118.16 119.92 2weo n LYS 127 Ca -0.00 0.36 0.12 0.00 -1.05 0.00 0.00 58.31 57.74 2weo n LYS 127 Cb 0.14 -1.63 0.17 0.00 -0.65 0.00 0.00 35.03 33.06 2weo n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2weo n TYR 128 N -1.75 0.05 0.00 5.58 4.01 -0.58 -5.00 117.16 119.48 2weo n TYR 128 Ca 0.02 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2weo n TYR 128 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2weo n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2weo n GLY 129 N 1.34 1.41 3.51 2.72 0.00 -0.90 -4.52 105.19 108.75 2weo n GLY 129 Ca 0.15 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2weo n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2weo s ASP 130 N 0.00 -0.10 0.20 1.61 1.47 -1.26 -5.06 116.67 113.52 2weo s ASP 130 Ca 0.00 -0.79 -0.11 0.00 1.18 0.00 0.00 52.55 52.83 2weo s ASP 130 Cb 0.00 0.55 0.12 0.00 -0.34 0.00 0.00 42.92 43.25 2weo s ASP 130 CO 0.00 -1.05 1.83 0.15 0.68 0.00 0.00 175.17 176.78 2weo h PHE 131 N 2.31 0.91 -0.58 2.11 3.57 -1.95 -1.47 116.94 121.84 2weo h PHE 131 Ca -0.28 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.23 2weo h PHE 131 Cb 1.25 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2weo h PHE 131 CO 0.39 0.62 0.39 0.78 -2.23 0.00 0.00 178.31 178.25 2weo h GLY 132 N 0.94 0.80 1.20 2.40 0.00 -1.97 -1.88 103.07 104.56 2weo h GLY 132 Ca 0.25 -0.29 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 2weo h GLY 132 CO -0.05 0.27 -0.93 0.50 0.00 0.00 0.00 176.54 176.34 2weo h LYS 133 N 0.75 0.75 -0.89 4.80 1.79 -1.74 -3.33 116.57 118.70 2weo h LYS 133 Ca 0.22 -0.72 0.01 0.00 -2.18 0.00 0.00 60.65 57.99 2weo h LYS 133 Cb -0.02 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 2weo h LYS 133 CO -0.05 1.30 0.59 0.00 -1.08 0.00 0.00 179.45 180.21 2weo h ALA 134 N 0.47 1.37 0.00 3.86 0.00 -0.55 -1.97 119.26 122.45 2weo h ALA 134 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2weo h ALA 134 Cb 1.57 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2weo h ALA 134 CO 0.19 0.58 0.00 1.33 0.00 0.00 0.00 179.25 181.35 2weo n VAL 135 N -4.40 1.09 1.00 0.00 0.24 -0.78 -1.42 118.33 114.05 2weo n VAL 135 Ca 0.10 0.28 0.10 0.00 -2.04 0.00 0.00 64.34 62.78 2weo n VAL 135 Cb 0.03 -1.07 0.31 0.00 -1.47 0.00 0.00 33.84 31.64 2weo n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2weo n GLN 136 N -1.56 1.88 -4.82 7.34 6.02 -0.74 -4.65 117.38 120.86 2weo n GLN 136 Ca 0.03 -1.34 -0.30 0.00 -0.01 0.00 0.00 57.00 55.38 2weo n GLN 136 Cb 0.16 -1.40 -0.14 0.00 1.02 0.00 0.00 30.24 29.88 2weo n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2weo s GLN 137 N -1.69 1.82 0.53 -1.09 -1.52 -0.51 -5.03 119.66 112.19 2weo s GLN 137 Ca 0.32 -1.10 0.30 0.00 -1.95 0.00 0.00 55.36 52.93 2weo s GLN 137 Cb 0.18 -2.01 1.48 0.00 -0.22 0.00 0.00 33.01 32.44 2weo s GLN 137 CO 0.25 0.51 2.06 -1.00 -0.25 0.00 0.00 175.29 176.87 2weo h PRO 138 N 4.68 0.00 -0.60 2.91 0.13 -1.86 -2.30 132.00 134.96 2weo h PRO 138 Ca -0.47 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.23 2weo h PRO 138 Cb 1.15 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.96 2weo h PRO 138 CO 0.44 0.10 -0.55 -0.40 -0.23 0.00 0.00 178.00 177.36 2weo n ASP 139 N -3.42 4.37 0.10 1.44 5.75 -1.26 -4.27 116.55 119.26 2weo n ASP 139 Ca -0.01 -3.79 -0.17 0.00 -0.01 0.00 0.00 54.79 50.82 2weo n ASP 139 Cb 0.26 -0.46 -0.13 0.00 -1.03 0.00 0.00 41.12 39.76 2weo n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2weo h GLY 140 N 1.85 0.37 -3.83 6.12 0.00 -1.11 -3.43 103.07 103.03 2weo h GLY 140 Ca 0.31 -0.89 -0.63 0.00 0.00 0.00 0.00 47.33 46.13 2weo h GLY 140 CO 0.66 0.78 -0.84 1.08 0.00 0.00 0.00 176.54 178.22 2weo s LEU 141 N -7.28 2.34 -0.12 3.11 1.02 0.03 -0.35 118.68 117.44 2weo s LEU 141 Ca -0.05 -0.76 0.01 0.00 0.02 0.00 0.00 54.13 53.35 2weo s LEU 141 Cb 0.07 -1.07 0.02 0.00 0.02 0.00 0.00 46.19 45.23 2weo s LEU 141 CO 0.89 0.11 -0.13 0.00 0.02 0.00 0.00 176.35 177.25 2weo s ALA 142 N -1.28 1.61 -0.20 4.21 0.00 0.07 -0.69 121.76 125.48 2weo s ALA 142 Ca 0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 2weo s ALA 142 Cb -0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 2weo s ALA 142 CO 0.06 -0.24 -0.07 0.08 0.00 0.00 0.00 175.76 175.59 2weo s VAL 143 N 1.30 3.28 -0.35 0.00 1.01 -0.90 -0.97 120.40 123.76 2weo s VAL 143 Ca -0.01 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 2weo s VAL 143 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2weo s VAL 143 CO -0.06 0.45 0.63 -0.22 0.00 0.00 0.00 175.10 175.90 2weo s LEU 144 N 1.20 4.25 -0.14 3.92 2.96 -0.22 -1.40 118.68 129.25 2weo s LEU 144 Ca 0.02 0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 2weo s LEU 144 Cb -0.14 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 2weo s LEU 144 CO -0.02 -0.58 0.05 -0.83 -1.32 0.00 0.00 176.35 173.65 2weo s GLY 145 N 1.78 1.92 -0.07 7.98 0.00 0.53 -1.11 107.32 118.35 2weo s GLY 145 Ca 0.24 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2weo s GLY 145 CO 0.14 -0.22 -0.05 -0.42 0.00 0.00 0.00 173.10 172.55 2weo s ILE 146 N -0.27 0.67 0.40 0.90 1.01 0.04 -0.87 121.20 123.08 2weo s ILE 146 Ca 0.08 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 2weo s ILE 146 Cb -0.12 -0.71 -0.10 0.00 0.01 0.00 0.00 42.46 41.55 2weo s ILE 146 CO 0.02 0.28 1.00 -0.36 0.00 0.00 0.00 174.94 175.87 2weo s PHE 147 N 1.30 3.33 -0.14 3.97 0.08 -1.26 -0.52 117.98 124.74 2weo s PHE 147 Ca -0.04 1.65 0.01 0.00 0.12 0.00 0.00 56.93 58.67 2weo s PHE 147 Cb -0.14 -3.00 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 2weo s PHE 147 CO -0.02 -0.34 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.10 2weo s LEU 148 N -2.79 2.53 0.20 -0.37 1.02 -0.19 -0.68 118.68 118.40 2weo s LEU 148 Ca 0.59 -0.42 0.08 0.00 0.02 0.00 0.00 54.13 54.40 2weo s LEU 148 Cb -0.17 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 2weo s LEU 148 CO 0.22 0.13 -0.02 -1.59 0.02 0.00 0.00 176.35 175.10 2weo s LYS 149 N 0.57 2.30 -0.19 1.70 -2.85 -0.31 -1.78 119.74 119.18 2weo s LYS 149 Ca -0.09 -1.22 -0.20 0.00 -1.00 0.00 0.00 55.97 53.46 2weo s LYS 149 Cb -0.16 -2.27 -0.03 0.00 -2.06 0.00 0.00 37.83 33.32 2weo s LYS 149 CO 0.04 0.43 0.61 0.08 0.10 0.00 0.00 175.35 176.60 2weo s VAL 150 N -1.86 5.04 0.00 1.79 1.01 -1.26 -0.73 120.40 124.39 2weo s VAL 150 Ca 0.28 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.41 2weo s VAL 150 Cb -0.08 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2weo s VAL 150 CO 0.18 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2weo n GLY 151 N 3.77 0.98 3.80 4.51 0.00 0.88 -4.89 105.19 114.24 2weo n GLY 151 Ca -0.02 0.41 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 2weo n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weo s SER 152 N 2.00 5.82 0.61 1.61 1.04 -1.26 -4.13 113.70 119.38 2weo s SER 152 Ca 0.00 1.83 -0.18 0.00 0.48 0.00 0.00 55.95 58.08 2weo s SER 152 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2weo s SER 152 CO 0.00 -1.14 1.20 0.00 0.98 0.00 0.00 173.24 174.28 2weo s ALA 153 N -2.40 2.51 -0.47 5.32 0.00 -1.26 -2.38 121.76 123.07 2weo s ALA 153 Ca 0.64 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 2weo s ALA 153 Cb -0.16 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.57 2weo s ALA 153 CO 0.35 -1.22 0.43 0.21 0.00 0.00 0.00 175.76 175.54 2weo s LYS 154 N -3.40 3.01 0.37 0.00 2.47 -1.18 -4.80 119.74 116.21 2weo s LYS 154 Ca 0.77 -1.21 0.04 0.00 -1.56 0.00 0.00 55.97 54.00 2weo s LYS 154 Cb -0.30 -4.11 0.71 0.00 -1.46 0.00 0.00 37.83 32.67 2weo s LYS 154 CO 0.34 -1.04 2.01 -1.35 0.16 0.00 0.00 175.35 175.48 2weo h PRO 155 N 8.79 0.75 0.00 4.03 0.11 -1.91 -1.38 132.00 142.39 2weo h PRO 155 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2weo h PRO 155 Cb 1.11 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2weo h PRO 155 CO 0.88 0.50 0.00 0.41 -0.21 0.00 0.00 178.00 179.58 2weo n GLY 156 N -1.45 -1.03 0.10 -0.55 0.00 -1.26 -1.84 105.19 99.15 2weo n GLY 156 Ca 0.06 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2weo n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2weo h LEU 157 N 0.00 0.00 -1.16 0.99 5.85 -1.46 -3.41 115.31 116.12 2weo h LEU 157 Ca 0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2weo h LEU 157 Cb 0.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2weo h LEU 157 CO 0.00 0.06 0.13 -0.61 -0.34 0.00 0.00 178.44 177.67 2weo h GLN 158 N 0.00 0.71 -0.32 1.25 5.75 -1.39 -1.54 115.11 119.57 2weo h GLN 158 Ca 0.00 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2weo h GLN 158 Cb 0.86 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 2weo h GLN 158 CO 0.00 0.64 0.09 0.87 -2.65 0.00 0.00 178.83 177.78 2weo h LYS 159 N 0.70 0.46 -0.00 1.69 1.57 -1.79 -0.84 116.57 118.35 2weo h LYS 159 Ca 0.16 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2weo h LYS 159 Cb 0.24 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2weo h LYS 159 CO -0.00 0.42 -0.00 0.28 -0.57 0.00 0.00 179.45 179.57 2weo h VAL 160 N 0.46 1.27 -0.94 0.50 2.07 -1.59 -3.12 116.25 114.89 2weo h VAL 160 Ca 0.11 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 66.95 2weo h VAL 160 Cb 0.16 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 2weo h VAL 160 CO -0.01 0.21 0.58 0.58 0.02 0.00 0.00 177.57 178.94 2weo h VAL 161 N -0.32 0.93 0.00 2.57 2.07 -0.83 -2.41 116.25 118.26 2weo h VAL 161 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2weo h VAL 161 Cb 0.34 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2weo h VAL 161 CO 0.00 0.17 0.00 0.44 0.02 0.00 0.00 177.57 178.20 2weo h ASP 162 N 0.94 0.00 0.36 0.57 3.32 -1.17 -2.69 116.42 117.76 2weo h ASP 162 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 2weo h ASP 162 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2weo h ASP 162 CO -0.25 0.00 -0.49 0.55 -1.72 0.00 0.00 179.24 177.33 2weo n VAL 163 N -2.75 0.00 0.24 -1.35 3.14 -0.91 -4.39 118.33 112.31 2weo n VAL 163 Ca 0.03 -0.04 0.08 0.00 -2.96 0.00 0.00 64.34 61.45 2weo n VAL 163 Cb 0.37 0.41 0.60 0.00 -1.06 0.00 0.00 33.84 34.16 2weo n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2weo h LEU 164 N 0.39 0.00 -2.67 6.55 3.38 -1.42 -0.50 115.31 121.04 2weo h LEU 164 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2weo h LEU 164 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2weo h LEU 164 CO 0.00 0.15 -0.01 0.44 0.09 0.00 0.00 178.44 179.11 2weo h ASP 165 N 0.00 0.00 0.37 -0.43 3.32 -1.79 -1.97 116.42 115.92 2weo h ASP 165 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2weo h ASP 165 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2weo h ASP 165 CO 0.02 0.01 -0.40 -1.54 -1.72 0.00 0.00 179.24 175.61 2weo n SER 166 N -3.28 0.75 -2.53 6.45 3.41 -0.19 -4.15 113.62 114.08 2weo n SER 166 Ca -0.03 -0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 57.90 2weo n SER 166 Cb 0.11 0.21 0.03 0.00 -0.26 0.00 0.00 64.21 64.29 2weo n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2weo n ILE 167 N -1.11 1.71 -0.24 -1.33 -5.35 -0.75 -4.70 119.36 107.59 2weo n ILE 167 Ca 0.09 -3.61 0.02 0.00 -0.27 0.00 0.00 62.75 58.97 2weo n ILE 167 Cb 0.34 0.12 0.25 0.00 -1.74 0.00 0.00 39.64 38.61 2weo n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2weo h LYS 168 N 2.58 0.98 -6.21 6.28 3.64 -1.70 -3.42 116.57 118.73 2weo h LYS 168 Ca 0.07 -0.06 -0.60 0.00 -1.27 0.00 0.00 60.65 58.79 2weo h LYS 168 Cb 1.26 -0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 32.73 2weo h LYS 168 CO 0.51 0.65 -0.74 0.95 -2.27 0.00 0.00 179.45 178.54 2weo s THR 169 N -5.86 2.61 0.10 1.00 -4.23 -1.26 -0.58 115.64 107.42 2weo s THR 169 Ca -0.11 -2.34 -0.35 0.00 -1.18 0.00 0.00 61.69 57.70 2weo s THR 169 Cb 0.18 -2.37 -0.15 0.00 1.34 0.00 0.00 72.50 71.50 2weo s THR 169 CO 0.79 -0.40 1.51 1.17 -0.54 0.00 0.00 174.62 177.15 2weo n LYS 170 N -0.66 1.73 -0.01 3.99 4.81 0.00 -2.02 118.16 126.01 2weo n LYS 170 Ca -0.05 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 2weo n LYS 170 Cb 0.60 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.30 2weo n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2weo n GLY 171 N 3.16 0.80 3.75 3.14 0.00 0.42 -4.51 105.19 111.94 2weo n GLY 171 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2weo n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2weo s LYS 172 N -0.73 4.78 0.12 1.61 1.02 -0.86 -4.89 119.74 120.79 2weo s LYS 172 Ca 0.00 1.54 0.04 0.00 0.02 0.00 0.00 55.97 57.57 2weo s LYS 172 Cb 0.00 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2weo s LYS 172 CO 0.00 0.38 -0.10 -1.54 -0.92 0.00 0.00 175.35 173.17 2weo s SER 173 N -0.81 1.60 -0.01 2.83 1.04 -1.26 -1.10 113.70 116.00 2weo s SER 173 Ca 0.43 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 2weo s SER 173 Cb -0.26 0.00 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 2weo s SER 173 CO 0.33 -0.30 0.08 0.00 0.98 0.00 0.00 173.24 174.33 2weo s ALA 174 N -2.87 -0.18 0.38 5.32 0.00 -0.14 -4.93 121.76 119.33 2weo s ALA 174 Ca 0.11 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 2weo s ALA 174 Cb -0.00 0.02 -0.11 0.00 0.00 0.00 0.00 23.12 23.03 2weo s ALA 174 CO 0.00 -0.14 1.23 -0.25 0.00 0.00 0.00 175.76 176.60 2weo n ASP 175 N 2.08 2.40 -2.91 0.00 8.00 -1.26 -1.00 116.55 123.86 2weo n ASP 175 Ca -0.19 1.15 -0.13 0.00 0.71 0.00 0.00 54.79 56.33 2weo n ASP 175 Cb 0.57 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 2weo n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2weo n PHE 176 N 0.02 -2.56 -3.44 1.24 7.35 -0.32 -4.69 117.46 115.05 2weo n PHE 176 Ca 0.06 -2.22 -0.24 0.00 -0.76 0.00 0.00 57.45 54.29 2weo n PHE 176 Cb 0.38 1.01 -0.02 0.00 0.35 0.00 0.00 39.48 41.20 2weo n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2weo s THR 177 N 0.25 5.12 -1.61 -2.13 -4.23 -1.26 -3.11 115.64 108.67 2weo s THR 177 Ca 0.32 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2weo s THR 177 Cb 0.16 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2weo s THR 177 CO -0.18 -0.49 0.00 0.59 -0.54 0.00 0.00 174.62 174.00 2weo n ASN 178 N -1.60 -4.97 -4.74 3.99 4.13 -1.26 -4.96 115.26 105.86 2weo n ASN 178 Ca -0.05 0.22 -0.40 0.00 1.68 0.00 0.00 54.58 56.03 2weo n ASN 178 Cb 0.56 -4.00 -0.05 0.00 -1.54 0.00 0.00 39.78 34.75 2weo n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2weo s PHE 179 N -2.71 3.69 -0.43 3.10 5.36 -1.26 -5.01 117.98 120.71 2weo s PHE 179 Ca 0.00 1.40 -0.12 0.00 -0.96 0.00 0.00 56.93 57.25 2weo s PHE 179 Cb 0.00 -2.81 0.07 0.00 -0.34 0.00 0.00 43.02 39.94 2weo s PHE 179 CO 0.00 0.22 0.30 0.34 -1.46 0.00 0.00 175.22 174.62 2weo s ASP 180 N 0.20 5.85 0.00 6.13 -1.08 -1.26 -4.46 116.67 122.04 2weo s ASP 180 Ca 0.38 -1.36 0.15 0.00 -0.52 0.00 0.00 52.55 51.20 2weo s ASP 180 Cb -0.20 -2.07 0.67 0.00 -1.46 0.00 0.00 42.92 39.87 2weo s ASP 180 CO 0.21 -0.55 1.47 -0.81 0.52 0.00 0.00 175.17 176.01 2weo n PRO 181 N 5.04 0.04 0.29 4.34 -0.04 -1.26 -2.23 135.00 141.18 2weo n PRO 181 Ca -0.11 0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 2weo n PRO 181 Cb 0.44 -1.50 0.86 0.00 -0.04 0.00 0.00 33.50 33.26 2weo n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2weo h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.67 114.38 114.41 2weo h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2weo h ARG 182 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2weo h ARG 182 CO 0.00 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 2weo n GLY 183 N -1.30 -0.71 0.48 0.04 0.00 -0.95 -2.77 105.19 99.98 2weo n GLY 183 Ca -0.03 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.95 2weo n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2weo n LEU 184 N -0.97 1.93 -4.84 0.99 4.77 -0.63 -4.03 117.00 114.23 2weo n LEU 184 Ca 0.16 -0.81 -0.33 0.00 -0.03 0.00 0.00 56.01 55.00 2weo n LEU 184 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2weo n LEU 184 CO 0.12 0.36 0.45 -0.76 -1.33 0.00 0.00 177.39 176.23 2weo s LEU 185 N -2.09 4.09 1.04 2.23 1.43 -1.12 -4.93 118.68 119.33 2weo s LEU 185 Ca 0.17 1.36 -0.18 0.00 -1.03 0.00 0.00 54.13 54.45 2weo s LEU 185 Cb 0.15 -4.08 0.24 0.00 0.03 0.00 0.00 46.19 42.53 2weo s LEU 185 CO 0.43 -0.19 1.32 -2.16 0.23 0.00 0.00 176.35 175.97 2weo s PRO 186 N -2.87 0.03 0.04 1.29 0.04 -1.26 -5.01 135.00 127.27 2weo s PRO 186 Ca 0.54 -0.49 -0.20 0.00 0.04 0.00 0.00 61.00 60.89 2weo s PRO 186 Cb -0.11 -1.78 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 2weo s PRO 186 CO 0.17 -2.81 1.34 1.49 0.04 0.00 0.00 177.00 177.23 2weo h GLU 187 N -1.93 0.39 -6.23 4.56 4.81 -1.92 -3.45 114.58 110.81 2weo h GLU 187 Ca -0.44 -0.21 -0.57 0.00 -0.13 0.00 0.00 59.36 58.01 2weo h GLU 187 Cb 1.22 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 2weo h GLU 187 CO 0.31 0.78 -0.13 0.45 -0.73 0.00 0.00 179.01 179.68 2weo s SER 188 N -6.19 6.79 -0.23 1.04 0.15 -1.26 -4.99 113.70 109.01 2weo s SER 188 Ca -0.14 1.01 0.14 0.00 0.70 0.00 0.00 55.95 57.66 2weo s SER 188 Cb 0.05 -2.26 0.67 0.00 -1.71 0.00 0.00 66.02 62.77 2weo s SER 188 CO 0.76 0.15 1.61 0.18 1.20 0.00 0.00 173.24 177.15 2weo n LEU 189 N 0.99 4.96 -4.78 3.45 4.77 -1.26 -4.73 117.00 120.40 2weo n LEU 189 Ca -0.07 -3.08 -0.41 0.00 -0.03 0.00 0.00 56.01 52.42 2weo n LEU 189 Cb 0.52 -0.64 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2weo n LEU 189 CO 0.42 0.72 1.13 -1.81 -1.33 0.00 0.00 177.39 176.52 2weo s ASP 190 N -1.42 6.17 0.12 -1.43 1.01 -1.26 -4.72 116.67 115.15 2weo s ASP 190 Ca 0.49 3.04 -0.10 0.00 0.71 0.00 0.00 52.55 56.70 2weo s ASP 190 Cb 0.39 -2.67 0.00 0.00 1.01 0.00 0.00 42.92 41.66 2weo s ASP 190 CO 0.12 -0.99 0.25 -0.72 0.21 0.00 0.00 175.17 174.04 2weo s TYR 191 N -1.14 0.20 0.13 4.23 -0.85 -1.26 -1.23 117.35 117.42 2weo s TYR 191 Ca 0.55 -0.59 0.04 0.00 -0.52 0.00 0.00 57.07 56.56 2weo s TYR 191 Cb -0.46 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 2weo s TYR 191 CO 0.62 -0.63 0.10 -1.58 -1.52 0.00 0.00 175.55 172.54 2weo s TRP 192 N -3.89 3.14 -0.02 -3.49 0.51 0.05 -0.84 118.94 114.41 2weo s TRP 192 Ca 0.09 0.01 -0.05 0.00 -2.12 0.00 0.00 56.10 54.03 2weo s TRP 192 Cb 0.04 -1.55 0.00 0.00 -0.81 0.00 0.00 33.47 31.15 2weo s TRP 192 CO -0.07 0.52 0.10 -0.08 -0.51 0.00 0.00 176.95 176.91 2weo s THR 193 N -1.58 0.05 0.05 2.01 -1.32 0.42 -0.69 115.64 114.59 2weo s THR 193 Ca 0.30 -0.40 -0.27 0.00 -1.21 0.00 0.00 61.69 60.11 2weo s THR 193 Cb -0.11 -0.29 0.08 0.00 -1.51 0.00 0.00 72.50 70.67 2weo s THR 193 CO 0.22 -0.22 0.70 -0.72 -2.21 0.00 0.00 174.62 172.39 2weo s TYR 194 N -0.72 -0.53 -0.00 9.09 1.13 -1.00 -1.46 117.35 123.86 2weo s TYR 194 Ca -0.08 0.54 -0.29 0.00 -1.41 0.00 0.00 57.07 55.84 2weo s TYR 194 Cb -0.05 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 2weo s TYR 194 CO 0.01 -0.70 0.92 -1.25 -2.51 0.00 0.00 175.55 172.02 2weo s PRO 195 N -2.78 4.54 0.00 -3.49 0.04 -1.26 -1.27 135.00 130.78 2weo s PRO 195 Ca -0.02 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2weo s PRO 195 Cb -0.01 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2weo s PRO 195 CO -0.05 -0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.40 2weo n GLY 196 N 2.88 4.58 3.22 0.56 0.00 0.59 -4.81 105.19 112.22 2weo n GLY 196 Ca 0.04 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 2weo n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weo s SER 197 N 1.49 0.45 0.43 1.61 1.04 -1.10 -2.44 113.70 115.18 2weo s SER 197 Ca 0.00 -1.44 -0.26 0.00 0.48 0.00 0.00 55.95 54.73 2weo s SER 197 Cb 0.00 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.42 2weo s SER 197 CO 0.00 -0.86 1.39 0.18 0.98 0.00 0.00 173.24 174.93 2weo n LEU 198 N -0.34 4.76 -0.67 2.42 4.77 -0.42 -4.46 117.00 123.08 2weo n LEU 198 Ca 0.03 1.13 0.12 0.00 -0.03 0.00 0.00 56.01 57.25 2weo n LEU 198 Cb 0.66 -1.57 0.36 0.00 -2.33 0.00 0.00 43.42 40.53 2weo n LEU 198 CO 0.33 -0.27 0.77 0.35 -1.33 0.00 0.00 177.39 177.24 2weo n THR 199 N -0.15 0.17 -4.35 -5.08 -2.24 -1.26 -4.39 114.28 96.98 2weo n THR 199 Ca 0.05 -0.40 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 2weo n THR 199 Cb 0.41 0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 69.16 2weo n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2weo s THR 200 N -1.83 1.77 0.31 4.28 -4.23 -1.26 -4.66 115.64 110.02 2weo s THR 200 Ca 0.34 -2.17 -0.27 0.00 -1.18 0.00 0.00 61.69 58.42 2weo s THR 200 Cb 0.20 -2.01 -0.14 0.00 1.34 0.00 0.00 72.50 71.88 2weo s THR 200 CO 0.30 -0.55 0.83 -2.65 -0.54 0.00 0.00 174.62 172.01 2weo n PRO 201 N -0.28 0.94 0.00 3.99 -0.02 -1.26 -0.37 135.00 138.00 2weo n PRO 201 Ca -0.09 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 61.77 2weo n PRO 201 Cb 0.60 -1.63 0.24 0.00 -0.02 0.00 0.00 33.50 32.69 2weo n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2weo n PRO 202 N 0.70 0.99 -2.13 0.52 -0.04 -1.26 -5.00 135.00 128.78 2weo n PRO 202 Ca 0.11 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 2weo n PRO 202 Cb 0.33 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 2weo n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2weo n LEU 203 N -0.63 -1.69 -4.77 1.53 4.77 0.49 -4.90 117.00 111.81 2weo n LEU 203 Ca 0.06 0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.74 2weo n LEU 203 Cb 0.03 -2.57 -0.01 0.00 -2.33 0.00 0.00 43.42 38.54 2weo n LEU 203 CO 0.05 -0.37 1.00 -0.76 -1.33 0.00 0.00 177.39 175.97 2weo s LEU 204 N -4.87 4.28 -1.26 2.23 1.43 -1.26 -4.44 118.68 114.79 2weo s LEU 204 Ca 0.00 2.74 -0.08 0.00 -1.03 0.00 0.00 54.13 55.76 2weo s LEU 204 Cb 0.00 -3.80 0.18 0.00 0.03 0.00 0.00 46.19 42.60 2weo s LEU 204 CO 0.00 -0.79 1.93 -0.62 0.23 0.00 0.00 176.35 177.10 2weo n GLU 205 N 0.34 3.92 0.00 1.70 1.02 -1.26 -1.30 120.64 125.06 2weo n GLU 205 Ca 0.02 -3.64 0.00 0.00 -0.02 0.00 0.00 57.16 53.52 2weo n GLU 205 Cb 0.42 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.02 2weo n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2weo s VAL 207 N -0.57 3.38 -0.43 0.00 1.01 -1.02 -0.79 120.40 121.98 2weo s VAL 207 Ca 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 2weo s VAL 207 Cb 0.00 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.93 2weo s VAL 207 CO 0.00 0.49 0.87 -0.89 0.00 0.00 0.00 175.10 175.57 2weo s THR 208 N 0.66 4.58 0.05 3.92 2.01 0.14 -0.30 115.64 126.69 2weo s THR 208 Ca -0.04 0.77 -0.26 0.00 0.31 0.00 0.00 61.69 62.47 2weo s THR 208 Cb -0.15 -4.35 -0.05 0.00 0.01 0.00 0.00 72.50 67.96 2weo s THR 208 CO 0.02 -0.69 0.79 0.26 -0.69 0.00 0.00 174.62 174.32 2weo s TRP 209 N 3.48 3.74 -0.23 4.92 0.52 -0.40 -2.12 118.94 128.86 2weo s TRP 209 Ca 0.35 1.51 -0.01 0.00 0.02 0.00 0.00 56.10 57.97 2weo s TRP 209 Cb -0.11 -2.85 0.06 0.00 -1.15 0.00 0.00 33.47 29.42 2weo s TRP 209 CO 0.23 0.26 -0.00 0.42 0.02 0.00 0.00 176.95 177.87 2weo s ILE 210 N -0.02 1.08 -0.21 2.03 1.01 -0.50 -2.37 121.20 122.23 2weo s ILE 210 Ca 0.40 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 2weo s ILE 210 Cb -0.21 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2weo s ILE 210 CO 0.24 -0.21 -0.06 -0.69 0.00 0.00 0.00 174.94 174.21 2weo s VAL 211 N 1.59 3.23 0.30 2.92 1.01 0.13 -0.35 120.40 129.24 2weo s VAL 211 Ca -0.02 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 2weo s VAL 211 Cb -0.18 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 2weo s VAL 211 CO -0.09 0.44 1.12 -0.76 0.00 0.00 0.00 175.10 175.81 2weo s LEU 212 N 1.36 4.48 0.20 3.92 1.43 -0.05 -0.77 118.68 129.26 2weo s LEU 212 Ca 0.04 2.29 -0.07 0.00 -1.03 0.00 0.00 54.13 55.37 2weo s LEU 212 Cb -0.14 -3.71 0.12 0.00 0.03 0.00 0.00 46.19 42.49 2weo s LEU 212 CO -0.04 -0.24 1.61 0.50 0.23 0.00 0.00 176.35 178.41 2weo h LYS 213 N 3.57 0.88 -5.52 1.70 3.64 -1.51 -3.43 116.57 115.91 2weo h LYS 213 Ca -0.47 -0.35 -0.61 0.00 -1.27 0.00 0.00 60.65 57.95 2weo h LYS 213 Cb 1.21 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 2weo h LYS 213 CO 0.66 0.99 0.17 -2.00 -2.27 0.00 0.00 179.45 177.00 2weo s GLU 214 N -4.69 4.08 0.74 1.90 2.12 -1.26 -5.02 118.70 116.56 2weo s GLU 214 Ca -0.10 0.52 -0.11 0.00 0.36 0.00 0.00 54.97 55.64 2weo s GLU 214 Cb 0.13 -3.66 0.03 0.00 0.26 0.00 0.00 34.13 30.89 2weo s GLU 214 CO 0.85 -0.44 1.07 -2.14 -0.54 0.00 0.00 175.26 174.06 2weo s PRO 215 N 2.53 2.58 0.20 4.30 0.02 -1.26 -4.64 135.00 138.73 2weo s PRO 215 Ca 0.26 0.99 0.01 0.00 0.02 0.00 0.00 61.00 62.28 2weo s PRO 215 Cb -0.15 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2weo s PRO 215 CO 0.09 -1.36 0.36 0.96 -0.33 0.00 0.00 177.00 176.72 2weo s ILE 216 N -3.01 5.24 -0.12 2.83 -4.36 0.15 -4.85 121.20 117.09 2weo s ILE 216 Ca 0.59 -0.56 -0.04 0.00 -0.26 0.00 0.00 60.65 60.38 2weo s ILE 216 Cb -0.15 -3.76 -0.04 0.00 1.25 0.00 0.00 42.46 39.76 2weo s ILE 216 CO 0.55 -0.20 0.04 -0.94 0.24 0.00 0.00 174.94 174.64 2weo s SER 217 N -3.37 5.54 0.25 4.36 1.04 -1.26 -1.16 113.70 119.10 2weo s SER 217 Ca 0.37 0.19 0.08 0.00 0.48 0.00 0.00 55.95 57.07 2weo s SER 217 Cb -0.11 -1.72 -0.05 0.00 0.10 0.00 0.00 66.02 64.24 2weo s SER 217 CO 0.29 0.33 -0.13 0.68 0.98 0.00 0.00 173.24 175.40 2weo s VAL 218 N -0.60 1.91 0.53 5.02 -7.23 0.09 -3.08 120.40 117.05 2weo s VAL 218 Ca 0.11 -2.23 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 2weo s VAL 218 Cb -0.12 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 2weo s VAL 218 CO 0.02 -0.44 0.84 -0.94 -0.31 0.00 0.00 175.10 174.26 2weo s SER 219 N -3.42 5.92 0.28 4.85 1.04 -1.16 -0.09 113.70 121.13 2weo s SER 219 Ca 0.27 0.79 0.02 0.00 0.48 0.00 0.00 55.95 57.51 2weo s SER 219 Cb -0.00 -1.95 0.60 0.00 0.10 0.00 0.00 66.02 64.76 2weo s SER 219 CO 0.11 -0.82 1.80 -1.28 0.98 0.00 0.00 173.24 174.03 2weo h SER 220 N 0.04 0.80 -0.07 7.02 0.87 -1.92 -1.93 113.55 118.36 2weo h SER 220 Ca -0.46 0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.04 2weo h SER 220 Cb 1.23 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2weo h SER 220 CO 0.61 0.37 -0.37 -0.33 -0.53 0.00 0.00 176.83 176.58 2weo h GLU 221 N 0.85 0.57 -0.14 2.24 3.07 -1.95 -0.21 114.58 119.01 2weo h GLU 221 Ca 0.51 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 2weo h GLU 221 Cb 0.64 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 2weo h GLU 221 CO -0.32 0.86 0.06 1.96 -1.40 0.00 0.00 179.01 180.17 2weo h GLN 222 N 0.48 0.21 -0.06 2.33 4.20 -1.75 -2.34 115.11 118.18 2weo h GLN 222 Ca 0.05 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 2weo h GLN 222 Cb 0.87 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2weo h GLN 222 CO 0.07 0.28 -0.62 -0.24 -0.67 0.00 0.00 178.83 177.66 2weo h VAL 223 N 0.09 1.39 -0.75 -0.54 3.04 -1.26 -2.51 116.25 115.70 2weo h VAL 223 Ca 0.05 -2.02 0.07 0.00 -1.01 0.00 0.00 66.70 63.79 2weo h VAL 223 Cb 0.15 2.03 -0.05 0.00 -2.01 0.00 0.00 31.29 31.41 2weo h VAL 223 CO -0.00 0.60 0.49 -0.07 -1.01 0.00 0.00 177.57 177.57 2weo h LEU 224 N 0.17 0.67 -0.83 3.16 4.07 -0.95 -1.54 115.31 120.07 2weo h LEU 224 Ca -0.01 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 2weo h LEU 224 Cb 1.13 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 2weo h LEU 224 CO 0.10 0.42 -0.45 0.11 -1.08 0.00 0.00 178.44 177.54 2weo h LYS 225 N 0.76 0.29 -0.90 1.13 1.57 -0.97 -2.35 116.57 116.10 2weo h LYS 225 Ca 0.33 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2weo h LYS 225 Cb 0.31 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 2weo h LYS 225 CO -0.12 0.69 0.58 0.74 -0.57 0.00 0.00 179.45 180.78 2weo h PHE 226 N 0.24 1.09 0.00 -1.35 -1.00 -1.14 -2.70 116.94 112.09 2weo h PHE 226 Ca 0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.82 2weo h PHE 226 Cb 0.90 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 40.10 2weo h PHE 226 CO 0.02 0.63 0.00 0.54 -1.61 0.00 0.00 178.31 177.89 2weo n ARG 227 N -4.52 0.28 0.00 1.51 1.74 -0.89 -2.29 116.66 112.49 2weo n ARG 227 Ca 0.11 0.10 0.12 0.00 -0.77 0.00 0.00 57.85 57.42 2weo n ARG 227 Cb 0.09 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.25 2weo n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2weo n LYS 228 N -1.28 0.37 -0.92 5.56 5.02 -1.02 -4.53 118.16 121.37 2weo n LYS 228 Ca 0.09 -0.24 -0.30 0.00 -2.02 0.00 0.00 58.31 55.85 2weo n LYS 228 Cb 0.15 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.84 2weo n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2weo s LEU 229 N -2.80 2.07 0.01 -0.35 1.43 -0.97 -4.87 118.68 113.20 2weo s LEU 229 Ca 0.16 1.68 0.08 0.00 -1.03 0.00 0.00 54.13 55.01 2weo s LEU 229 Cb 0.18 -3.97 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 2weo s LEU 229 CO 0.65 -3.12 -0.24 0.20 0.23 0.00 0.00 176.35 174.07 2weo s ASN 230 N -3.01 2.89 0.22 2.29 0.02 0.25 -0.44 114.94 117.16 2weo s ASN 230 Ca 0.65 -0.49 0.04 0.00 -1.02 0.00 0.00 52.86 52.05 2weo s ASN 230 Cb -0.21 -0.30 0.19 0.00 0.02 0.00 0.00 41.25 40.95 2weo s ASN 230 CO 0.59 0.27 1.51 -0.26 0.02 0.00 0.00 177.10 179.24 2weo h PHE 231 N 5.26 0.27 -4.35 2.20 0.04 -1.34 -3.36 116.94 115.66 2weo h PHE 231 Ca -0.43 -0.12 -0.50 0.00 2.80 0.00 0.00 57.97 59.73 2weo h PHE 231 Cb 1.13 -0.04 0.07 0.00 2.20 0.00 0.00 35.95 39.31 2weo h PHE 231 CO 0.43 0.82 0.39 0.54 -0.60 0.00 0.00 178.31 179.89 2weo s ASN 232 N -6.90 5.70 0.68 2.17 4.22 -1.26 -4.35 114.94 115.19 2weo s ASN 232 Ca -0.03 1.17 -0.11 0.00 -2.14 0.00 0.00 52.86 51.75 2weo s ASN 232 Cb 0.12 -2.07 -0.00 0.00 1.28 0.00 0.00 41.25 40.57 2weo s ASN 232 CO 0.80 -1.17 1.07 -0.83 -2.04 0.00 0.00 177.10 174.94 2weo s GLY 233 N -4.30 1.64 0.27 0.45 0.00 -1.26 -0.82 107.32 103.30 2weo s GLY 233 Ca 0.57 -0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.70 2weo s GLY 233 CO 0.52 0.06 1.53 -2.21 0.00 0.00 0.00 173.10 172.99 2weo n GLU 234 N -2.91 2.47 -0.74 2.90 2.13 -1.26 -1.89 120.64 121.33 2weo n GLU 234 Ca 0.07 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2weo n GLU 234 Cb 0.56 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.65 2weo n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2weo n GLY 235 N 2.18 1.06 3.98 8.31 0.00 -1.26 -5.04 105.19 114.42 2weo n GLY 235 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2weo n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2weo s GLU 236 N -0.18 3.25 0.27 1.61 2.02 -0.79 -5.06 118.70 119.81 2weo s GLU 236 Ca 0.00 -0.86 -0.31 0.00 0.02 0.00 0.00 54.97 53.82 2weo s GLU 236 Cb 0.00 -2.82 -0.12 0.00 0.10 0.00 0.00 34.13 31.28 2weo s GLU 236 CO 0.00 0.18 1.56 -2.30 0.02 0.00 0.00 175.26 174.71 2weo n PRO 237 N -1.59 2.51 -2.44 0.39 -0.02 -1.26 -4.87 135.00 127.71 2weo n PRO 237 Ca -0.03 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 2weo n PRO 237 Cb 0.58 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 2weo n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2weo s GLU 238 N -0.27 4.34 -0.13 -0.52 2.12 -1.26 -4.72 118.70 118.28 2weo s GLU 238 Ca 0.67 1.69 -0.01 0.00 0.36 0.00 0.00 54.97 57.68 2weo s GLU 238 Cb -0.55 -3.56 0.03 0.00 0.26 0.00 0.00 34.13 30.32 2weo s GLU 238 CO 0.47 -0.46 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.48 2weo s GLU 239 N 2.26 1.15 0.28 4.30 2.02 -1.26 -5.06 118.70 122.39 2weo s GLU 239 Ca 0.56 -0.25 -0.30 0.00 0.02 0.00 0.00 54.97 55.01 2weo s GLU 239 Cb -0.25 -1.60 -0.10 0.00 0.10 0.00 0.00 34.13 32.28 2weo s GLU 239 CO 0.22 -0.37 1.43 -0.51 0.02 0.00 0.00 175.26 176.06 2weo s LEU 240 N 1.78 4.38 -0.98 1.80 1.43 -1.26 -1.06 118.68 124.76 2weo s LEU 240 Ca 0.03 2.74 -0.23 0.00 -1.03 0.00 0.00 54.13 55.64 2weo s LEU 240 Cb -0.14 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.49 2weo s LEU 240 CO -0.07 -0.71 1.47 -0.32 0.23 0.00 0.00 176.35 176.95 2weo s MET 241 N -0.86 3.48 0.05 1.70 -2.45 0.41 -4.57 119.30 117.05 2weo s MET 241 Ca 0.57 -0.97 -0.03 0.00 -1.25 0.00 0.00 55.69 54.01 2weo s MET 241 Cb -0.43 -5.23 -0.03 0.00 1.25 0.00 0.00 34.83 30.40 2weo s MET 241 CO 0.48 -2.29 0.02 0.14 1.05 0.00 0.00 175.02 174.42 2weo s VAL 242 N 5.42 0.18 -1.38 10.11 -7.23 -1.26 -4.50 120.40 121.74 2weo s VAL 242 Ca 0.47 -1.49 -0.07 0.00 -1.81 0.00 0.00 61.98 59.08 2weo s VAL 242 Cb -0.01 -1.23 0.03 0.00 0.56 0.00 0.00 36.38 35.73 2weo s VAL 242 CO -0.07 -0.82 0.97 0.47 -0.31 0.00 0.00 175.10 175.34 2weo n ASP 243 N 0.39 -3.93 -2.65 4.85 8.00 -0.04 -4.85 116.55 118.33 2weo n ASP 243 Ca -0.16 -0.70 -0.31 0.00 0.71 0.00 0.00 54.79 54.32 2weo n ASP 243 Cb 0.60 -4.41 -0.03 0.00 -0.02 0.00 0.00 41.12 37.26 2weo n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2weo n ASN 244 N -2.98 6.84 -4.28 -2.24 6.94 -1.11 -4.90 115.26 113.52 2weo n ASN 244 Ca -0.10 -3.41 -0.27 0.00 -0.02 0.00 0.00 54.58 50.78 2weo n ASN 244 Cb 0.59 -1.18 -0.14 0.00 -2.36 0.00 0.00 39.78 36.69 2weo n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2weo s TRP 245 N -2.48 1.98 -0.01 -2.53 1.48 -1.26 -4.58 118.94 111.53 2weo s TRP 245 Ca 0.57 -0.39 -0.18 0.00 -1.06 0.00 0.00 56.10 55.04 2weo s TRP 245 Cb 0.40 -1.19 -0.06 0.00 -1.16 0.00 0.00 33.47 31.47 2weo s TRP 245 CO -0.29 0.10 0.50 0.50 -4.06 0.00 0.00 176.95 173.70 2weo s ARG 246 N -1.16 4.17 0.95 3.25 3.52 -1.26 -4.97 118.95 123.44 2weo s ARG 246 Ca 0.09 0.57 -0.12 0.00 -0.13 0.00 0.00 55.73 56.13 2weo s ARG 246 Cb -0.09 -3.30 0.16 0.00 -1.56 0.00 0.00 34.95 30.16 2weo s ARG 246 CO 0.02 0.49 1.11 -1.25 -0.81 0.00 0.00 175.30 174.86 2weo s PRO 247 N -0.52 0.86 0.37 5.12 0.04 -1.26 -4.60 135.00 135.01 2weo s PRO 247 Ca 0.27 0.49 -0.28 0.00 0.04 0.00 0.00 61.00 61.52 2weo s PRO 247 Cb -0.17 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 2weo s PRO 247 CO 0.15 -2.43 1.51 0.00 0.04 0.00 0.00 177.00 176.26 2weo s ALA 248 N -3.07 3.60 0.26 8.56 0.00 -1.26 -4.35 121.76 125.49 2weo s ALA 248 Ca 0.64 1.59 0.08 0.00 0.00 0.00 0.00 51.96 54.27 2weo s ALA 248 Cb -0.17 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 2weo s ALA 248 CO 0.56 -1.07 0.12 -0.65 0.00 0.00 0.00 175.76 174.72 2weo s GLN 249 N -1.93 2.66 0.35 0.00 -1.52 0.35 -4.94 119.66 114.64 2weo s GLN 249 Ca 0.54 -1.21 -0.29 0.00 -1.95 0.00 0.00 55.36 52.45 2weo s GLN 249 Cb -0.47 -2.40 -0.11 0.00 -0.22 0.00 0.00 33.01 29.81 2weo s GLN 249 CO 0.62 0.37 1.52 -2.30 -0.25 0.00 0.00 175.29 175.25 2weo n PRO 250 N -1.08 2.69 0.09 2.91 -0.02 -1.26 -4.56 135.00 133.78 2weo n PRO 250 Ca -0.07 0.95 -0.04 0.00 -2.02 0.00 0.00 63.50 62.32 2weo n PRO 250 Cb 0.58 -2.70 0.15 0.00 -0.02 0.00 0.00 33.50 31.52 2weo n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2weo h LEU 251 N 3.48 0.26 0.00 2.45 5.85 -1.95 -3.43 115.31 121.97 2weo h LEU 251 Ca -0.50 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2weo h LEU 251 Cb 1.24 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2weo h LEU 251 CO 0.68 0.76 0.00 0.29 -0.34 0.00 0.00 178.44 179.83 2weo n LYS 252 N -3.92 0.00 -2.15 1.25 5.02 -1.26 -3.32 118.16 113.79 2weo n LYS 252 Ca -0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 2weo n LYS 252 Cb 0.58 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.59 2weo n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2weo n ASN 253 N 1.18 6.77 -3.97 4.39 4.05 -1.26 -4.89 115.26 121.53 2weo n ASN 253 Ca 0.00 -3.13 -0.11 0.00 0.45 0.00 0.00 54.58 51.79 2weo n ASN 253 Cb 0.00 -1.41 -0.12 0.00 1.23 0.00 0.00 39.78 39.48 2weo n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2weo s ARG 254 N -0.51 0.29 -0.10 1.20 0.52 -1.21 -5.10 118.95 114.04 2weo s ARG 254 Ca 0.48 -0.46 0.04 0.00 -0.52 0.00 0.00 55.73 55.27 2weo s ARG 254 Cb 0.14 -0.04 -0.00 0.00 0.52 0.00 0.00 34.95 35.58 2weo s ARG 254 CO -0.05 -0.01 -0.24 -1.14 0.02 0.00 0.00 175.30 173.89 2weo s GLN 255 N -1.02 3.06 0.03 3.54 -0.44 -1.26 -5.03 119.66 118.53 2weo s GLN 255 Ca -0.10 -0.87 -0.27 0.00 -2.50 0.00 0.00 55.36 51.62 2weo s GLN 255 Cb -0.07 -2.31 -0.04 0.00 -1.64 0.00 0.00 33.01 28.94 2weo s GLN 255 CO -0.00 0.18 0.86 0.42 0.50 0.00 0.00 175.29 177.25 2weo s ILE 256 N 0.33 4.78 0.02 -2.34 1.01 -1.26 -4.80 121.20 118.94 2weo s ILE 256 Ca -0.19 1.82 0.03 0.00 0.00 0.00 0.00 60.65 62.31 2weo s ILE 256 Cb -0.18 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2weo s ILE 256 CO 0.09 0.27 -0.02 -0.54 0.00 0.00 0.00 174.94 174.74 2weo s LYS 257 N 0.43 2.67 -0.01 2.79 1.02 -0.54 -1.09 119.74 125.02 2weo s LYS 257 Ca 0.44 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.80 2weo s LYS 257 Cb -0.21 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 2weo s LYS 257 CO 0.25 0.60 -0.17 0.00 -0.92 0.00 0.00 175.35 175.11 2weo s ALA 258 N -1.09 2.58 -1.97 5.17 0.00 0.42 -0.43 121.76 126.44 2weo s ALA 258 Ca 0.20 -1.09 0.29 0.00 0.00 0.00 0.00 51.96 51.36 2weo s ALA 258 Cb -0.11 -0.82 1.37 0.00 0.00 0.00 0.00 23.12 23.56 2weo s ALA 258 CO 0.11 0.56 1.93 -1.13 0.00 0.00 0.00 175.76 177.23 2weo n SER 259 N 1.97 0.60 -3.96 0.00 3.41 -0.02 -1.27 113.62 114.36 2weo n SER 259 Ca -0.16 -0.94 -0.08 0.00 -0.26 0.00 0.00 58.87 57.43 2weo n SER 259 Cb 0.52 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 2weo n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2weo s PHE 260 N -2.22 0.31 -0.49 7.33 -0.71 -1.26 -4.90 117.98 116.04 2weo s PHE 260 Ca 0.37 -0.79 0.04 0.00 -1.04 0.00 0.00 56.93 55.51 2weo s PHE 260 Cb 0.21 -0.20 0.03 0.00 -1.21 0.00 0.00 43.02 41.85 2weo s PHE 260 CO 0.41 -0.48 0.63 0.36 -1.34 0.00 0.00 175.22 174.79