#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5pep s GLY 2 N 0.00 2.45 -0.15 7.39 0.00 -0.72 -4.96 107.32 111.33 5pep s GLY 2 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.81 5pep s GLY 2 CO 0.00 0.39 0.05 -0.35 0.00 0.00 0.00 173.10 173.18 5pep s ASP 3 N -2.03 2.39 -0.36 1.64 3.68 0.12 -2.38 116.67 119.73 5pep s ASP 3 Ca 0.50 -0.57 0.03 0.00 2.13 0.00 0.00 52.55 54.65 5pep s ASP 3 Cb -0.13 -0.44 0.10 0.00 -1.45 0.00 0.00 42.92 41.01 5pep s ASP 3 CO 0.19 -0.29 0.09 -0.70 0.13 0.00 0.00 175.17 174.58 5pep s GLU 4 N 1.98 1.60 0.57 4.34 2.56 -1.03 -4.12 118.70 124.61 5pep s GLU 4 Ca 0.01 -1.89 -0.20 0.00 0.00 0.00 0.00 54.97 52.89 5pep s GLU 4 Cb -0.16 -3.29 -0.04 0.00 2.00 0.00 0.00 34.13 32.65 5pep s GLU 4 CO -0.07 -0.97 1.29 -2.14 -0.56 0.00 0.00 175.26 172.80 5pep s PRO 5 N 0.91 3.01 0.04 4.30 0.02 -1.26 -1.78 135.00 140.25 5pep s PRO 5 Ca 0.11 2.05 0.06 0.00 0.02 0.00 0.00 61.00 63.24 5pep s PRO 5 Cb -0.20 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 5pep s PRO 5 CO -0.07 -1.24 -0.17 -0.51 -0.33 0.00 0.00 177.00 174.68 5pep s LEU 6 N -3.82 2.18 -0.29 -5.54 1.43 0.13 -4.39 118.68 108.38 5pep s LEU 6 Ca 0.75 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 5pep s LEU 6 Cb -0.36 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 5pep s LEU 6 CO 0.41 0.08 0.43 -1.61 0.23 0.00 0.00 176.35 175.89 5pep s GLU 7 N -1.20 3.93 -0.31 1.70 2.02 0.24 -4.11 118.70 120.97 5pep s GLU 7 Ca 0.04 0.04 -0.29 0.00 0.02 0.00 0.00 54.97 54.78 5pep s GLU 7 Cb -0.08 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.46 5pep s GLU 7 CO 0.02 -0.38 1.27 1.21 0.02 0.00 0.00 175.26 177.40 5pep s ASN 8 N 1.64 6.70 -0.41 -0.19 3.84 -1.26 -2.19 114.94 123.07 5pep s ASN 8 Ca 0.17 1.15 -0.05 0.00 0.21 0.00 0.00 52.86 54.33 5pep s ASN 8 Cb -0.16 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.10 5pep s ASN 8 CO 0.10 -1.07 0.22 -0.47 -2.79 0.00 0.00 177.10 173.10 5pep s TYR 9 N 4.31 3.47 -1.59 0.43 6.14 0.92 -4.63 117.35 126.39 5pep s TYR 9 Ca 0.55 -2.05 -0.15 0.00 0.64 0.00 0.00 57.07 56.05 5pep s TYR 9 Cb -0.16 -3.10 0.11 0.00 0.42 0.00 0.00 41.96 39.24 5pep s TYR 9 CO 0.23 -0.93 0.91 1.28 0.64 0.00 0.00 175.55 177.67 5pep n LEU 10 N 4.73 -2.24 -1.49 6.97 4.77 -1.26 0.43 117.00 128.90 5pep n LEU 10 Ca -0.06 -0.87 -0.06 0.00 -0.03 0.00 0.00 56.01 54.99 5pep n LEU 10 Cb 0.42 -2.38 -0.02 0.00 -2.33 0.00 0.00 43.42 39.11 5pep n LEU 10 CO 0.36 0.40 -0.06 0.47 -1.33 0.00 0.00 177.39 177.23 5pep n ASP 11 N -2.77 -1.71 0.00 -1.43 10.43 -1.26 -4.64 116.55 115.16 5pep n ASP 11 Ca 0.05 0.20 0.00 0.00 2.57 0.00 0.00 54.79 57.60 5pep n ASP 11 Cb 0.52 -1.79 0.00 0.00 1.84 0.00 0.00 41.12 41.69 5pep n ASP 11 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 5pep n THR 12 N -1.76 0.00 -3.68 -3.53 5.66 0.17 -4.97 114.28 106.16 5pep n THR 12 Ca -0.06 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.77 5pep n THR 12 Cb 0.28 -0.40 -0.16 0.00 -1.55 0.00 0.00 70.33 68.50 5pep n THR 12 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 5pep s GLU 13 N -1.82 0.01 -0.35 1.09 2.02 0.32 -4.54 118.70 115.43 5pep s GLU 13 Ca 0.00 0.47 -0.04 0.00 0.02 0.00 0.00 54.97 55.42 5pep s GLU 13 Cb 0.00 -0.32 0.07 0.00 0.10 0.00 0.00 34.13 33.97 5pep s GLU 13 CO 0.00 -0.29 0.10 0.71 0.02 0.00 0.00 175.26 175.81 5pep s TYR 14 N 2.06 3.35 0.44 1.61 1.51 -1.26 -0.06 117.35 125.01 5pep s TYR 14 Ca 0.01 -1.86 0.06 0.00 -1.01 0.00 0.00 57.07 54.27 5pep s TYR 14 Cb -0.12 -2.52 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 5pep s TYR 14 CO -0.05 -0.83 0.12 -0.59 -1.11 0.00 0.00 175.55 173.09 5pep s PHE 15 N 1.28 2.34 0.19 2.71 -0.71 -0.93 -3.92 117.98 118.94 5pep s PHE 15 Ca -0.00 -0.71 -0.12 0.00 -1.04 0.00 0.00 56.93 55.06 5pep s PHE 15 Cb -0.21 -1.84 0.00 0.00 -1.21 0.00 0.00 43.02 39.77 5pep s PHE 15 CO -0.01 0.20 0.40 0.20 -1.34 0.00 0.00 175.22 174.67 5pep s GLY 16 N -3.88 0.32 0.05 1.99 0.00 -0.00 0.81 107.32 106.59 5pep s GLY 16 Ca 0.32 -0.68 -0.00 0.00 0.00 0.00 0.00 44.72 44.35 5pep s GLY 16 CO 0.17 -0.62 0.19 -1.59 0.00 0.00 0.00 173.10 171.26 5pep s THR 17 N -3.95 5.33 0.14 0.90 2.01 -1.26 -0.61 115.64 118.20 5pep s THR 17 Ca 0.16 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 5pep s THR 17 Cb 0.01 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 5pep s THR 17 CO 0.01 0.18 0.07 0.27 -0.69 0.00 0.00 174.62 174.46 5pep s ILE 18 N -1.46 0.09 -0.01 1.82 -4.36 -0.68 -4.76 121.20 111.84 5pep s ILE 18 Ca 0.33 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 58.83 5pep s ILE 18 Cb -0.13 -2.09 -0.00 0.00 1.25 0.00 0.00 42.46 41.48 5pep s ILE 18 CO 0.25 -0.41 -0.10 -0.83 0.24 0.00 0.00 174.94 174.09 5pep s GLY 19 N -3.06 0.53 -0.08 6.27 0.00 -1.08 -1.31 107.32 108.58 5pep s GLY 19 Ca 0.26 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.55 5pep s GLY 19 CO 0.03 -0.29 -0.07 -0.42 0.00 0.00 0.00 173.10 172.35 5pep s ILE 20 N -0.10 0.85 0.00 0.90 1.01 -0.20 -0.91 121.20 122.75 5pep s ILE 20 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.44 5pep s ILE 20 Cb -0.06 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.54 5pep s ILE 20 CO -0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.87 5pep n GLY 21 N 4.56 -2.47 2.73 6.18 0.00 -0.76 -1.97 105.19 113.45 5pep n GLY 21 Ca -0.16 -2.18 -0.20 0.00 0.00 0.00 0.00 46.02 43.48 5pep n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5pep s THR 22 N -0.83 -0.21 0.92 2.61 2.01 -1.26 -2.57 115.64 116.31 5pep s THR 22 Ca 0.00 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 5pep s THR 22 Cb 0.00 -0.45 0.14 0.00 0.01 0.00 0.00 72.50 72.20 5pep s THR 22 CO 0.00 -0.06 1.08 -2.65 -0.69 0.00 0.00 174.62 172.30 5pep n PRO 23 N 5.31 -0.47 -2.22 4.92 -0.02 -1.26 -1.45 135.00 139.81 5pep n PRO 23 Ca -0.05 -0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 60.94 5pep n PRO 23 Cb 0.50 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 5pep n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 5pep s ALA 24 N -2.62 3.54 -0.22 3.55 0.00 -1.06 -4.80 121.76 120.16 5pep s ALA 24 Ca 0.66 1.07 -0.08 0.00 0.00 0.00 0.00 51.96 53.60 5pep s ALA 24 Cb -0.23 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 5pep s ALA 24 CO 0.59 -0.57 0.09 -0.65 0.00 0.00 0.00 175.76 175.22 5pep s GLN 25 N 0.93 3.90 0.26 0.00 -0.21 -0.83 -4.80 119.66 118.90 5pep s GLN 25 Ca 0.62 -0.37 -0.17 0.00 0.02 0.00 0.00 55.36 55.47 5pep s GLN 25 Cb -0.35 -3.34 -0.08 0.00 1.00 0.00 0.00 33.01 30.23 5pep s GLN 25 CO 0.31 0.07 0.71 -0.51 -2.12 0.00 0.00 175.29 173.75 5pep s ASP 26 N 0.96 6.90 -0.15 5.90 -0.00 -1.26 -1.03 116.67 127.98 5pep s ASP 26 Ca 0.05 1.32 -0.11 0.00 -0.00 0.00 0.00 52.55 53.80 5pep s ASP 26 Cb -0.14 -2.38 0.05 0.00 -0.00 0.00 0.00 42.92 40.45 5pep s ASP 26 CO 0.03 -0.08 0.39 -0.36 -0.00 0.00 0.00 175.17 175.15 5pep s PHE 27 N -1.74 -0.48 -0.14 4.23 0.08 -0.43 -4.97 117.98 114.52 5pep s PHE 27 Ca 0.48 1.11 -0.20 0.00 0.12 0.00 0.00 56.93 58.45 5pep s PHE 27 Cb -0.13 0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.46 5pep s PHE 27 CO 0.19 -0.26 0.56 0.95 -0.10 0.00 0.00 175.22 176.56 5pep s THR 28 N 0.70 5.11 0.17 0.64 -4.23 -1.26 -1.69 115.64 115.08 5pep s THR 28 Ca -0.04 1.09 0.06 0.00 -1.18 0.00 0.00 61.69 61.63 5pep s THR 28 Cb -0.05 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 5pep s THR 28 CO -0.05 0.24 -0.13 0.68 -0.54 0.00 0.00 174.62 174.82 5pep s VAL 29 N 1.12 1.50 -0.13 2.29 -7.23 0.22 -1.19 120.40 116.99 5pep s VAL 29 Ca 0.28 -2.06 -0.20 0.00 -1.81 0.00 0.00 61.98 58.19 5pep s VAL 29 Cb -0.16 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 5pep s VAL 29 CO 0.12 -0.59 0.58 -0.63 -0.31 0.00 0.00 175.10 174.26 5pep s ILE 30 N -2.86 5.10 -0.85 -0.62 1.01 -0.80 -0.82 121.20 121.35 5pep s ILE 30 Ca 0.18 1.14 -0.19 0.00 0.00 0.00 0.00 60.65 61.78 5pep s ILE 30 Cb -0.01 -3.91 0.12 0.00 0.01 0.00 0.00 42.46 38.67 5pep s ILE 30 CO 0.04 0.24 1.05 -0.36 0.00 0.00 0.00 174.94 175.91 5pep s PHE 31 N 1.10 3.07 -0.49 3.97 0.40 -1.25 -0.46 117.98 124.31 5pep s PHE 31 Ca 0.29 -1.24 -0.22 0.00 -0.60 0.00 0.00 56.93 55.16 5pep s PHE 31 Cb -0.16 -4.24 0.04 0.00 0.51 0.00 0.00 43.02 39.17 5pep s PHE 31 CO 0.12 -1.48 0.77 0.34 0.70 0.00 0.00 175.22 175.68 5pep s ASP 32 N 3.57 6.34 0.00 1.36 3.68 -0.51 -4.53 116.67 126.58 5pep s ASP 32 Ca 0.28 -0.38 0.18 0.00 2.13 0.00 0.00 52.55 54.76 5pep s ASP 32 Cb -0.09 -2.37 0.79 0.00 -1.45 0.00 0.00 42.92 39.80 5pep s ASP 32 CO -0.05 -0.98 1.55 0.35 0.13 0.00 0.00 175.17 176.17 5pep n THR 33 N 6.00 0.16 0.64 1.71 -2.24 -1.26 0.10 114.28 119.39 5pep n THR 33 Ca -0.00 -0.23 0.10 0.00 -2.27 0.00 0.00 64.05 61.64 5pep n THR 33 Cb 0.47 0.14 0.12 0.00 -2.10 0.00 0.00 70.33 68.96 5pep n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5pep n GLY 34 N 0.99 0.92 3.28 3.38 0.00 -1.26 -4.13 105.19 108.37 5pep n GLY 34 Ca 0.14 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 5pep n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 5pep s SER 35 N -1.56 1.14 0.00 1.61 0.15 -1.17 -4.98 113.70 108.89 5pep s SER 35 Ca 0.26 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.63 5pep s SER 35 Cb 0.18 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 5pep s SER 35 CO 0.26 -0.66 0.13 -1.20 1.20 0.00 0.00 173.24 172.97 5pep n SER 36 N -0.35 0.27 -4.95 5.45 7.64 -1.26 -1.25 113.62 119.16 5pep n SER 36 Ca -0.03 -0.68 -0.24 0.00 1.01 0.00 0.00 58.87 58.93 5pep n SER 36 Cb 0.65 0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 5pep n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 5pep s ASN 37 N -0.19 6.34 -0.19 6.43 -0.87 -1.26 -4.20 114.94 120.99 5pep s ASN 37 Ca 0.00 0.21 0.01 0.00 -1.57 0.00 0.00 52.86 51.50 5pep s ASN 37 Cb 0.00 -1.92 0.04 0.00 -0.02 0.00 0.00 41.25 39.35 5pep s ASN 37 CO 0.00 -0.04 -0.10 -0.22 -2.57 0.00 0.00 177.10 174.17 5pep s LEU 38 N -3.59 2.17 -0.00 0.60 2.96 -1.26 -0.92 118.68 118.63 5pep s LEU 38 Ca 0.36 -0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 5pep s LEU 38 Cb -0.10 -1.21 -0.00 0.00 0.50 0.00 0.00 46.19 45.38 5pep s LEU 38 CO 0.29 -0.14 0.03 -1.66 -1.32 0.00 0.00 176.35 173.56 5pep s TRP 39 N 1.42 0.08 0.11 5.38 1.48 -1.02 -0.66 118.94 125.73 5pep s TRP 39 Ca -0.00 -0.15 0.06 0.00 -1.06 0.00 0.00 56.10 54.94 5pep s TRP 39 Cb -0.16 -0.07 -0.04 0.00 -1.16 0.00 0.00 33.47 32.05 5pep s TRP 39 CO -0.08 -0.13 -0.15 0.14 -4.06 0.00 0.00 176.95 172.67 5pep s VAL 40 N -0.73 1.31 0.69 -0.66 -7.23 -1.12 -1.66 120.40 111.00 5pep s VAL 40 Ca -0.08 -1.60 -0.17 0.00 -1.81 0.00 0.00 61.98 58.32 5pep s VAL 40 Cb -0.05 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.48 5pep s VAL 40 CO -0.00 -0.34 1.18 -2.65 -0.31 0.00 0.00 175.10 172.98 5pep n PRO 41 N 0.76 0.77 -4.37 4.82 -0.01 -1.26 -3.05 135.00 132.66 5pep n PRO 41 Ca -0.17 0.32 -0.19 0.00 -0.01 0.00 0.00 63.50 63.45 5pep n PRO 41 Cb 0.56 -2.42 -0.10 0.00 -0.01 0.00 0.00 33.50 31.53 5pep n PRO 41 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 5pep s SER 42 N -1.58 2.02 0.00 2.55 1.04 -1.25 -0.22 113.70 116.25 5pep s SER 42 Ca 0.78 -1.27 0.24 0.00 0.48 0.00 0.00 55.95 56.18 5pep s SER 42 Cb -0.36 -0.02 1.42 0.00 0.10 0.00 0.00 66.02 67.16 5pep s SER 42 CO 0.45 -0.54 1.82 0.52 0.98 0.00 0.00 173.24 176.47 5pep n VAL 43 N -0.51 0.05 -1.02 5.02 0.31 -0.78 -2.50 118.33 118.90 5pep n VAL 43 Ca -0.04 0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.34 5pep n VAL 43 Cb 0.65 -0.63 0.31 0.00 -0.91 0.00 0.00 33.84 33.27 5pep n VAL 43 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 5pep n TYR 44 N -1.05 1.72 -3.97 3.52 4.01 -1.26 -4.87 117.16 115.27 5pep n TYR 44 Ca 0.17 -0.97 -0.34 0.00 -0.16 0.00 0.00 57.90 56.60 5pep n TYR 44 Cb 0.10 -0.49 -0.14 0.00 -0.31 0.00 0.00 39.34 38.49 5pep n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 5pep n SER 46 N 4.64 2.52 -4.66 0.00 7.64 -1.25 -4.67 113.62 117.83 5pep n SER 46 Ca -0.16 -1.77 -0.35 0.00 1.01 0.00 0.00 58.87 57.60 5pep n SER 46 Cb 0.46 0.18 0.10 0.00 -1.01 0.00 0.00 64.21 63.94 5pep n SER 46 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 5pep n SER 47 N 0.73 0.96 0.23 6.43 7.64 -1.26 -4.83 113.62 123.52 5pep n SER 47 Ca 0.12 0.67 0.16 0.00 1.01 0.00 0.00 58.87 60.83 5pep n SER 47 Cb 0.53 -1.47 0.78 0.00 -1.01 0.00 0.00 64.21 63.04 5pep n SER 47 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 5pep h LEU 48 N -0.35 0.00 0.00 -3.43 3.38 -1.92 -1.94 115.31 111.06 5pep h LEU 48 Ca -0.48 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.34 5pep h LEU 48 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 5pep h LEU 48 CO 0.48 0.00 -0.86 0.00 0.09 0.00 0.00 178.44 178.14 5pep h ALA 49 N 2.05 0.58 0.00 1.53 0.00 -1.87 -3.19 119.26 118.37 5pep h ALA 49 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 54.91 53.97 5pep h ALA 49 Cb 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 5pep h ALA 49 CO 0.00 0.92 -1.34 0.00 0.00 0.00 0.00 179.25 178.83 5pep h SER 51 N 0.00 0.00 1.32 0.00 0.02 -1.60 -2.63 113.55 110.66 5pep h SER 51 Ca -0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 5pep h SER 51 Cb 1.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 5pep h SER 51 CO 0.09 0.40 -0.39 -0.78 -1.14 0.00 0.00 176.83 175.01 5pep h ASP 52 N 0.00 0.00 -2.59 3.07 -0.00 -1.63 -3.47 116.42 111.80 5pep h ASP 52 Ca -0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 57.03 56.43 5pep h ASP 52 Cb 0.77 0.00 -0.13 0.00 -0.00 0.00 0.00 39.33 39.97 5pep h ASP 52 CO 0.05 0.39 -0.51 -1.00 -0.00 0.00 0.00 179.24 178.17 5pep s HIS 53 N -3.22 1.79 0.42 0.28 3.76 -0.99 -5.08 115.29 112.25 5pep s HIS 53 Ca 0.03 -1.25 -0.25 0.00 -0.15 0.00 0.00 55.06 53.44 5pep s HIS 53 Cb 0.08 -1.24 -0.08 0.00 1.11 0.00 0.00 32.58 32.46 5pep s HIS 53 CO 0.71 -0.22 1.25 -0.80 -0.85 0.00 0.00 174.74 174.83 5pep s ASN 54 N -3.67 6.27 -0.16 1.40 0.01 -1.26 -4.86 114.94 112.67 5pep s ASN 54 Ca 0.19 2.53 0.01 0.00 -0.71 0.00 0.00 52.86 54.89 5pep s ASN 54 Cb 0.02 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 39.07 5pep s ASN 54 CO 0.12 -0.87 -0.20 -1.10 -1.51 0.00 0.00 177.10 173.55 5pep s GLN 55 N -2.36 2.91 0.07 -0.60 -0.21 -1.26 -4.25 119.66 113.96 5pep s GLN 55 Ca 0.59 -0.80 -0.31 0.00 0.02 0.00 0.00 55.36 54.86 5pep s GLN 55 Cb -0.35 -2.47 -0.08 0.00 1.00 0.00 0.00 33.01 31.12 5pep s GLN 55 CO 0.44 -0.15 1.49 0.12 -2.12 0.00 0.00 175.29 175.07 5pep s PHE 56 N 1.15 2.86 -0.50 0.91 2.19 0.69 -4.53 117.98 120.76 5pep s PHE 56 Ca 0.01 0.68 -0.07 0.00 0.33 0.00 0.00 56.93 57.89 5pep s PHE 56 Cb -0.14 -3.79 0.13 0.00 -1.31 0.00 0.00 43.02 37.91 5pep s PHE 56 CO -0.09 -2.96 0.35 1.21 1.83 0.00 0.00 175.22 175.55 5pep s ASN 57 N 1.74 5.58 0.54 6.13 2.47 -1.26 -1.86 114.94 128.27 5pep s ASN 57 Ca 0.68 -2.12 0.28 0.00 0.42 0.00 0.00 52.86 52.12 5pep s ASN 57 Cb -0.37 -1.95 1.52 0.00 -1.45 0.00 0.00 41.25 39.00 5pep s ASN 57 CO 0.30 -0.60 2.10 -0.65 -3.72 0.00 0.00 177.10 174.52 5pep h PRO 58 N 8.11 0.00 0.00 0.43 0.10 -1.94 -1.81 132.00 136.89 5pep h PRO 58 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.96 5pep h PRO 58 Cb 1.05 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.15 5pep h PRO 58 CO 0.79 0.10 0.00 -0.25 0.10 0.00 0.00 178.00 178.74 5pep n ASP 59 N -3.62 0.49 -0.47 -2.05 10.43 -1.26 -1.77 116.55 118.30 5pep n ASP 59 Ca -0.02 0.70 0.05 0.00 2.57 0.00 0.00 54.79 58.10 5pep n ASP 59 Cb 0.22 -0.78 0.07 0.00 1.84 0.00 0.00 41.12 42.47 5pep n ASP 59 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 5pep n ASP 60 N -2.13 2.10 -4.50 -2.24 10.43 -0.68 -4.92 116.55 114.61 5pep n ASP 60 Ca -0.00 -1.56 -0.35 0.00 2.57 0.00 0.00 54.79 55.44 5pep n ASP 60 Cb 0.07 -0.05 -0.12 0.00 1.84 0.00 0.00 41.12 42.87 5pep n ASP 60 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 5pep s SER 61 N -0.92 5.13 0.40 -2.24 0.15 -0.73 -4.23 113.70 111.26 5pep s SER 61 Ca 0.15 -0.13 0.25 0.00 0.70 0.00 0.00 55.95 56.92 5pep s SER 61 Cb 0.10 -1.89 0.63 0.00 -1.71 0.00 0.00 66.02 63.15 5pep s SER 61 CO 0.14 0.07 1.71 0.77 1.20 0.00 0.00 173.24 177.12 5pep h SER 62 N 7.48 0.00 -0.60 5.45 4.64 -1.54 -3.18 113.55 125.80 5pep h SER 62 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 5pep h SER 62 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 5pep h SER 62 CO 0.62 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.93 5pep n THR 63 N -2.89 1.69 -2.87 2.95 -2.24 -1.26 -4.97 114.28 104.68 5pep n THR 63 Ca 0.04 -1.21 -0.34 0.00 -2.27 0.00 0.00 64.05 60.27 5pep n THR 63 Cb 0.46 0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.81 5pep n THR 63 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 5pep s PHE 64 N -1.73 3.39 -0.28 4.78 2.19 -1.20 -4.40 117.98 120.73 5pep s PHE 64 Ca 0.48 1.57 -0.14 0.00 0.33 0.00 0.00 56.93 59.16 5pep s PHE 64 Cb 0.30 -2.80 0.09 0.00 -1.31 0.00 0.00 43.02 39.30 5pep s PHE 64 CO 0.24 -0.02 0.67 -2.00 1.83 0.00 0.00 175.22 175.94 5pep s GLU 65 N -2.94 0.66 0.78 10.12 2.12 -0.74 -5.01 118.70 123.69 5pep s GLU 65 Ca 0.58 1.29 -0.12 0.00 0.36 0.00 0.00 54.97 57.09 5pep s GLU 65 Cb -0.11 0.36 0.06 0.00 0.26 0.00 0.00 34.13 34.71 5pep s GLU 65 CO 0.16 -0.17 1.14 0.00 -0.54 0.00 0.00 175.26 175.85 5pep s ALA 66 N 2.03 2.60 0.19 6.30 0.00 -1.26 0.48 121.76 132.10 5pep s ALA 66 Ca -0.09 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 5pep s ALA 66 Cb -0.07 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 5pep s ALA 66 CO -0.20 -1.56 0.25 0.95 0.00 0.00 0.00 175.76 175.20 5pep s THR 67 N -3.43 0.03 -0.77 0.00 -4.23 -1.17 -4.81 115.64 101.27 5pep s THR 67 Ca 0.61 -1.69 0.23 0.00 -1.18 0.00 0.00 61.69 59.66 5pep s THR 67 Cb -0.12 -2.20 -0.10 0.00 1.34 0.00 0.00 72.50 71.42 5pep s THR 67 CO 0.51 -0.14 1.11 -0.24 -0.54 0.00 0.00 174.62 175.32 5pep n SER 68 N -0.26 0.65 -4.70 3.99 2.88 -1.26 -4.78 113.62 110.13 5pep n SER 68 Ca -0.02 -0.34 -0.42 0.00 -1.33 0.00 0.00 58.87 56.76 5pep n SER 68 Cb 0.64 0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 64.75 5pep n SER 68 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 5pep s GLN 69 N -3.12 4.22 0.16 -1.46 -0.21 -1.26 -5.00 119.66 112.99 5pep s GLN 69 Ca 0.06 2.31 0.03 0.00 0.02 0.00 0.00 55.36 57.79 5pep s GLN 69 Cb 0.15 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.75 5pep s GLN 69 CO 0.79 -0.65 0.26 -1.21 -2.12 0.00 0.00 175.29 172.35 5pep s GLU 70 N 1.86 3.33 0.02 2.91 2.02 -1.26 -1.87 118.70 125.71 5pep s GLU 70 Ca 0.71 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 55.05 5pep s GLU 70 Cb -0.41 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 5pep s GLU 70 CO 0.31 0.51 -0.05 -0.48 0.02 0.00 0.00 175.26 175.58 5pep s LEU 71 N -3.24 2.18 -0.06 1.80 0.05 0.43 -4.84 118.68 114.98 5pep s LEU 71 Ca 0.34 -0.39 -0.05 0.00 0.05 0.00 0.00 54.13 54.08 5pep s LEU 71 Cb -0.11 -0.06 0.02 0.00 -2.05 0.00 0.00 46.19 44.00 5pep s LEU 71 CO 0.27 -0.17 0.16 -0.55 -0.55 0.00 0.00 176.35 175.51 5pep s SER 72 N -1.11 -0.16 -0.04 1.48 0.15 -1.26 -0.97 113.70 111.79 5pep s SER 72 Ca -0.09 0.33 -0.03 0.00 0.70 0.00 0.00 55.95 56.85 5pep s SER 72 Cb -0.07 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 5pep s SER 72 CO -0.00 -0.09 0.09 -0.63 1.20 0.00 0.00 173.24 173.81 5pep s ILE 73 N 0.46 -0.01 -0.13 6.45 1.01 -0.94 -4.85 121.20 123.18 5pep s ILE 73 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.65 5pep s ILE 73 Cb -0.05 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 5pep s ILE 73 CO -0.02 0.01 -0.16 -0.89 0.00 0.00 0.00 174.94 173.88 5pep s THR 74 N 0.20 2.73 0.17 2.92 2.01 -1.26 -1.61 115.64 120.79 5pep s THR 74 Ca -0.01 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.29 5pep s THR 74 Cb -0.02 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 5pep s THR 74 CO -0.01 0.53 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.14 5pep s TYR 75 N 0.53 2.84 -0.84 4.92 1.51 0.41 -5.01 117.35 121.71 5pep s TYR 75 Ca -0.10 -0.14 0.10 0.00 -1.01 0.00 0.00 57.07 55.92 5pep s TYR 75 Cb -0.16 -1.37 0.46 0.00 -0.11 0.00 0.00 41.96 40.78 5pep s TYR 75 CO 0.04 0.52 1.31 0.41 -1.11 0.00 0.00 175.55 176.72 5pep n GLY 76 N -0.12 -0.80 1.15 0.71 0.00 -1.26 -3.74 105.19 101.13 5pep n GLY 76 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 5pep n GLY 76 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 5pep n THR 77 N -1.67 0.31 -4.00 2.61 -2.24 -1.26 -5.10 114.28 102.93 5pep n THR 77 Ca 0.01 0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.66 5pep n THR 77 Cb 0.09 -1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 66.87 5pep n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 5pep s GLY 78 N -4.75 2.08 0.13 3.38 0.00 -1.25 -4.86 107.32 102.05 5pep s GLY 78 Ca 0.00 -1.91 0.06 0.00 0.00 0.00 0.00 44.72 42.87 5pep s GLY 78 CO 0.00 -1.78 -0.14 -1.35 0.00 0.00 0.00 173.10 169.83 5pep s SER 79 N -3.92 2.05 0.12 1.64 1.04 -1.26 -0.44 113.70 112.93 5pep s SER 79 Ca 0.41 -0.83 -0.21 0.00 0.48 0.00 0.00 55.95 55.79 5pep s SER 79 Cb -0.01 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.09 5pep s SER 79 CO 0.24 -0.15 0.53 -0.32 0.98 0.00 0.00 173.24 174.52 5pep s MET 80 N -2.77 1.17 -0.15 4.02 0.00 -0.64 -4.25 119.30 116.68 5pep s MET 80 Ca 0.10 -0.48 -0.09 0.00 0.00 0.00 0.00 55.69 55.22 5pep s MET 80 Cb -0.04 0.53 0.05 0.00 0.00 0.00 0.00 34.83 35.37 5pep s MET 80 CO 0.03 -0.48 0.37 0.99 0.00 0.00 0.00 175.02 175.93 5pep s THR 81 N -3.47 -0.02 0.00 10.11 2.01 -0.07 -2.22 115.64 121.99 5pep s THR 81 Ca 0.00 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.09 5pep s THR 81 Cb -0.00 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.97 5pep s THR 81 CO -0.10 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 5pep n GLY 82 N 3.95 1.24 3.64 4.40 0.00 -0.15 -0.02 105.19 118.26 5pep n GLY 82 Ca -0.21 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 5pep n GLY 82 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 5pep s ILE 83 N -2.46 3.58 0.03 -0.61 1.10 -0.50 0.16 121.20 122.49 5pep s ILE 83 Ca 0.00 -1.56 -0.00 0.00 -0.51 0.00 0.00 60.65 58.58 5pep s ILE 83 Cb 0.00 -2.82 -0.04 0.00 0.15 0.00 0.00 42.46 39.75 5pep s ILE 83 CO 0.00 -0.16 0.15 -0.76 -2.11 0.00 0.00 174.94 172.06 5pep s LEU 84 N -3.07 4.17 0.07 8.50 1.43 -0.78 -0.59 118.68 128.41 5pep s LEU 84 Ca 0.28 0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 53.36 5pep s LEU 84 Cb -0.09 -2.66 0.06 0.00 0.03 0.00 0.00 46.19 43.53 5pep s LEU 84 CO 0.18 0.21 0.54 -0.83 0.23 0.00 0.00 176.35 176.69 5pep s GLY 85 N -2.21 -0.47 0.02 -3.19 0.00 -0.82 -3.02 107.32 97.63 5pep s GLY 85 Ca 0.30 0.58 0.01 0.00 0.00 0.00 0.00 44.72 45.60 5pep s GLY 85 CO 0.22 0.27 0.07 -0.19 0.00 0.00 0.00 173.10 173.47 5pep s TYR 86 N -2.78 3.23 0.16 1.90 2.02 0.18 -1.39 117.35 120.67 5pep s TYR 86 Ca -0.03 0.15 -0.23 0.00 -0.37 0.00 0.00 57.07 56.58 5pep s TYR 86 Cb -0.00 -1.69 0.08 0.00 -0.40 0.00 0.00 41.96 39.94 5pep s TYR 86 CO -0.04 0.53 1.04 0.34 -1.57 0.00 0.00 175.55 175.85 5pep s ASP 87 N -1.91 -0.04 -0.21 2.29 3.68 -1.12 -1.80 116.67 117.57 5pep s ASP 87 Ca 0.24 -0.57 -0.18 0.00 2.13 0.00 0.00 52.55 54.17 5pep s ASP 87 Cb -0.12 0.47 -0.03 0.00 -1.45 0.00 0.00 42.92 41.79 5pep s ASP 87 CO 0.16 -0.92 0.51 -0.89 0.13 0.00 0.00 175.17 174.17 5pep s THR 88 N -2.44 5.10 -0.16 1.71 2.01 -1.26 -1.27 115.64 119.34 5pep s THR 88 Ca 0.19 0.94 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 5pep s THR 88 Cb -0.02 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 5pep s THR 88 CO 0.04 0.17 0.00 -0.69 -0.69 0.00 0.00 174.62 173.45 5pep s VAL 89 N 1.69 4.27 -0.36 3.82 1.01 -0.24 -1.82 120.40 128.77 5pep s VAL 89 Ca 0.24 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 5pep s VAL 89 Cb -0.15 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.35 5pep s VAL 89 CO 0.09 0.49 0.21 -1.10 0.00 0.00 0.00 175.10 174.80 5pep s GLN 90 N 0.28 3.05 -0.03 2.72 -0.21 -0.09 0.16 119.66 125.54 5pep s GLN 90 Ca -0.00 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.46 5pep s GLN 90 Cb -0.13 -3.74 0.01 0.00 1.00 0.00 0.00 33.01 30.14 5pep s GLN 90 CO 0.02 -0.61 -0.07 0.08 -2.12 0.00 0.00 175.29 172.58 5pep s VAL 91 N 1.61 0.68 -0.88 1.09 1.01 0.66 -2.64 120.40 121.92 5pep s VAL 91 Ca 0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 5pep s VAL 91 Cb -0.18 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.62 5pep s VAL 91 CO 0.08 0.23 0.21 0.61 0.00 0.00 0.00 175.10 176.22 5pep n GLY 92 N 3.47 -0.49 1.62 4.51 0.00 -1.26 0.11 105.19 113.15 5pep n GLY 92 Ca -0.20 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 5pep n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5pep n GLY 93 N -0.85 0.75 3.47 -0.02 0.00 -1.26 0.13 105.19 107.41 5pep n GLY 93 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 5pep n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5pep s ILE 94 N -2.66 3.47 -0.85 -0.61 1.01 0.29 -5.02 121.20 116.83 5pep s ILE 94 Ca 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 59.87 5pep s ILE 94 Cb 0.00 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 40.06 5pep s ILE 94 CO 0.00 0.54 1.31 -0.44 0.00 0.00 0.00 174.94 176.34 5pep s SER 95 N -0.01 6.32 -1.22 3.58 0.01 -1.26 -0.25 113.70 120.87 5pep s SER 95 Ca -0.01 -0.99 -0.17 0.00 1.31 0.00 0.00 55.95 56.09 5pep s SER 95 Cb -0.14 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.67 5pep s SER 95 CO 0.03 -1.63 1.55 -0.62 0.41 0.00 0.00 173.24 172.99 5pep s ASP 96 N 4.20 6.90 0.55 2.44 3.68 0.42 -4.93 116.67 129.93 5pep s ASP 96 Ca 0.38 -2.58 -0.21 0.00 2.13 0.00 0.00 52.55 52.27 5pep s ASP 96 Cb -0.06 -2.49 -0.05 0.00 -1.45 0.00 0.00 42.92 38.88 5pep s ASP 96 CO 0.03 -1.01 1.28 0.42 0.13 0.00 0.00 175.17 176.02 5pep s THR 97 N 3.06 2.43 -1.49 1.71 -4.23 -1.26 -1.08 115.64 114.78 5pep s THR 97 Ca 0.47 0.30 -0.06 0.00 -1.18 0.00 0.00 61.69 61.23 5pep s THR 97 Cb 0.00 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.75 5pep s THR 97 CO 0.02 -0.02 0.58 0.59 -0.54 0.00 0.00 174.62 175.25 5pep n ASN 98 N -1.11 -1.55 -4.69 3.99 3.02 -1.23 -4.91 115.26 108.79 5pep n ASN 98 Ca 0.11 -0.98 -0.40 0.00 -0.03 0.00 0.00 54.58 53.28 5pep n ASN 98 Cb 0.47 -3.11 -0.05 0.00 -0.61 0.00 0.00 39.78 36.48 5pep n ASN 98 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 5pep s GLN 99 N -6.63 4.32 -0.14 3.52 2.00 -0.39 -4.85 119.66 117.49 5pep s GLN 99 Ca 0.26 0.74 -0.29 0.00 -2.00 0.00 0.00 55.36 54.06 5pep s GLN 99 Cb -0.14 -3.51 -0.01 0.00 0.80 0.00 0.00 33.01 30.16 5pep s GLN 99 CO 0.89 -0.08 1.07 -1.50 -0.50 0.00 0.00 175.29 175.17 5pep s ILE 100 N 1.35 4.62 0.08 -2.34 2.07 -1.26 -2.78 121.20 122.94 5pep s ILE 100 Ca 0.33 1.92 0.01 0.00 -1.41 0.00 0.00 60.65 61.49 5pep s ILE 100 Cb -0.17 -4.23 -0.04 0.00 0.13 0.00 0.00 42.46 38.15 5pep s ILE 100 CO 0.13 -0.07 -0.06 0.72 -1.91 0.00 0.00 174.94 173.76 5pep s PHE 101 N 2.56 0.77 0.24 3.50 -0.71 -0.49 -4.77 117.98 119.08 5pep s PHE 101 Ca 0.49 -0.93 -0.05 0.00 -1.04 0.00 0.00 56.93 55.40 5pep s PHE 101 Cb -0.19 -0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 41.10 5pep s PHE 101 CO 0.15 -0.21 0.50 0.20 -1.34 0.00 0.00 175.22 174.52 5pep s GLY 102 N -2.91 1.97 -0.31 1.99 0.00 0.17 -1.94 107.32 106.30 5pep s GLY 102 Ca 0.09 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.27 5pep s GLY 102 CO -0.06 -0.46 -0.01 1.08 0.00 0.00 0.00 173.10 173.65 5pep s LEU 103 N -3.25 4.12 0.55 0.66 1.02 0.24 -2.78 118.68 119.24 5pep s LEU 103 Ca 0.43 -1.69 -0.20 0.00 0.02 0.00 0.00 54.13 52.69 5pep s LEU 103 Cb -0.11 -1.63 -0.06 0.00 0.02 0.00 0.00 46.19 44.41 5pep s LEU 103 CO 0.28 -0.30 1.09 -1.20 0.02 0.00 0.00 176.35 176.24 5pep n SER 104 N 4.42 1.41 0.00 2.29 7.64 -1.17 -1.42 113.62 126.79 5pep n SER 104 Ca -0.07 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.71 5pep n SER 104 Cb 0.42 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 5pep n SER 104 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 5pep n GLU 105 N -0.80 2.47 -3.79 1.43 1.02 0.96 -3.85 120.64 118.08 5pep n GLU 105 Ca 0.12 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 5pep n GLU 105 Cb 0.45 -0.82 -0.12 0.00 -0.02 0.00 0.00 31.44 30.92 5pep n GLU 105 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 5pep s THR 106 N -1.64 -0.01 -0.39 2.62 -4.23 -0.39 -3.97 115.64 107.62 5pep s THR 106 Ca 0.00 0.03 0.09 0.00 -1.18 0.00 0.00 61.69 60.63 5pep s THR 106 Cb 0.00 -0.29 0.28 0.00 1.34 0.00 0.00 72.50 73.83 5pep s THR 106 CO 0.00 0.01 0.59 -0.62 -0.54 0.00 0.00 174.62 174.06 5pep n GLU 107 N 3.18 0.85 -2.11 3.99 1.02 -1.26 -0.89 120.64 125.42 5pep n GLU 107 Ca -0.15 -3.31 -0.38 0.00 -0.02 0.00 0.00 57.16 53.30 5pep n GLU 107 Cb 0.58 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 5pep n GLU 107 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 5pep s PRO 108 N -1.58 3.70 0.00 3.49 0.04 -1.26 -4.34 135.00 135.04 5pep s PRO 108 Ca 0.37 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.37 5pep s PRO 108 Cb 0.22 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.28 5pep s PRO 108 CO -0.10 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.69 5pep n GLY 109 N 0.57 1.89 0.13 0.56 0.00 -1.26 -4.50 105.19 102.59 5pep n GLY 109 Ca 0.07 -2.07 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 5pep n GLY 109 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 5pep h SER 110 N 0.00 0.56 -0.54 1.61 0.87 -1.96 -3.39 113.55 110.70 5pep h SER 110 Ca 0.00 -0.91 -0.05 0.00 -1.23 0.00 0.00 61.79 59.60 5pep h SER 110 Cb 0.00 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 5pep h SER 110 CO 0.00 1.60 0.14 0.15 -0.53 0.00 0.00 176.83 178.19 5pep h PHE 111 N -0.16 0.89 0.00 2.24 3.04 -1.90 -2.23 116.94 118.82 5pep h PHE 111 Ca -0.25 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.60 5pep h PHE 111 Cb 1.87 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 40.13 5pep h PHE 111 CO 0.15 0.78 0.00 1.28 -2.02 0.00 0.00 178.31 178.49 5pep n LEU 112 N -4.43 0.08 0.09 0.59 4.77 -1.26 -3.03 117.00 113.81 5pep n LEU 112 Ca 0.02 0.52 -0.23 0.00 -0.03 0.00 0.00 56.01 56.29 5pep n LEU 112 Cb 0.22 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 5pep n LEU 112 CO 0.40 -0.27 -0.18 0.22 -1.33 0.00 0.00 177.39 176.23 5pep h TYR 113 N 0.00 0.76 -0.00 -1.77 3.20 -1.60 -3.36 116.97 114.21 5pep h TYR 113 Ca 0.00 -0.55 0.00 0.00 3.14 0.00 0.00 58.73 61.32 5pep h TYR 113 Cb 0.28 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.52 5pep h TYR 113 CO 0.00 1.48 -0.07 0.66 -1.64 0.00 0.00 178.16 178.59 5pep n TYR 114 N -3.88 0.00 -2.49 -3.82 4.01 -1.17 -4.94 117.16 104.88 5pep n TYR 114 Ca -0.17 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.16 5pep n TYR 114 Cb 0.98 -0.26 -0.04 0.00 -0.31 0.00 0.00 39.34 39.71 5pep n TYR 114 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 5pep s ALA 115 N -2.59 3.40 -1.40 -0.72 0.00 -1.22 -4.94 121.76 114.29 5pep s ALA 115 Ca 0.27 0.87 0.28 0.00 0.00 0.00 0.00 51.96 53.38 5pep s ALA 115 Cb 0.20 -3.33 1.42 0.00 0.00 0.00 0.00 23.12 21.41 5pep s ALA 115 CO 0.49 -0.16 1.98 -0.35 0.00 0.00 0.00 175.76 177.72 5pep n PRO 116 N 1.44 0.38 -4.13 0.00 -0.04 -1.26 -4.80 135.00 126.59 5pep n PRO 116 Ca -0.00 0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.16 5pep n PRO 116 Cb 0.45 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 5pep n PRO 116 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 5pep s PHE 117 N -2.60 3.17 -0.14 0.54 -0.71 -1.26 -4.94 117.98 112.03 5pep s PHE 117 Ca 0.26 0.10 -0.23 0.00 -1.04 0.00 0.00 56.93 56.02 5pep s PHE 117 Cb 0.19 -1.66 -0.25 0.00 -1.21 0.00 0.00 43.02 40.10 5pep s PHE 117 CO 0.44 0.51 0.57 -0.44 -1.34 0.00 0.00 175.22 174.96 5pep h ASP 118 N 3.78 0.14 -0.56 1.98 3.32 -1.46 -3.50 116.42 120.12 5pep h ASP 118 Ca -0.48 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 55.75 5pep h ASP 118 Cb 1.17 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.68 5pep h ASP 118 CO 0.62 1.33 0.00 0.61 -1.72 0.00 0.00 179.24 180.09 5pep n GLY 119 N 1.60 4.09 2.97 2.75 0.00 -0.90 -4.13 105.19 111.57 5pep n GLY 119 Ca -0.20 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 5pep n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5pep s ILE 120 N -1.89 0.54 -0.33 -0.61 1.01 -0.67 -1.91 121.20 117.34 5pep s ILE 120 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.41 5pep s ILE 120 Cb 0.00 -0.47 0.10 0.00 0.01 0.00 0.00 42.46 42.10 5pep s ILE 120 CO 0.00 0.16 0.04 -0.22 0.00 0.00 0.00 174.94 174.92 5pep s LEU 121 N -0.03 4.63 0.39 2.97 0.20 0.39 -2.42 118.68 124.81 5pep s LEU 121 Ca 0.01 -2.05 -0.25 0.00 0.69 0.00 0.00 54.13 52.52 5pep s LEU 121 Cb -0.04 -1.63 -0.09 0.00 -0.43 0.00 0.00 46.19 44.00 5pep s LEU 121 CO -0.00 -0.37 1.12 -0.83 -0.29 0.00 0.00 176.35 175.98 5pep s GLY 122 N 0.98 2.84 -0.13 7.98 0.00 -0.10 -1.42 107.32 117.46 5pep s GLY 122 Ca 0.08 0.86 0.15 0.00 0.00 0.00 0.00 44.72 45.81 5pep s GLY 122 CO -0.07 1.35 1.18 1.04 0.00 0.00 0.00 173.10 176.59 5pep n LEU 123 N 0.11 2.05 0.00 0.66 4.77 0.28 -4.56 117.00 120.32 5pep n LEU 123 Ca 0.04 -3.11 -0.04 0.00 -0.03 0.00 0.00 56.01 52.87 5pep n LEU 123 Cb 0.48 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 5pep n LEU 123 CO 0.49 0.99 0.07 0.00 -1.33 0.00 0.00 177.39 177.61 5pep n ALA 124 N -0.73 0.25 -1.77 -1.18 0.00 -0.38 -4.80 120.51 111.90 5pep n ALA 124 Ca 0.14 -0.43 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 5pep n ALA 124 Cb 0.78 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 20.33 5pep n ALA 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 5pep s TYR 125 N 0.21 3.27 -1.58 0.00 1.51 -0.92 -4.78 117.35 115.05 5pep s TYR 125 Ca 0.12 1.59 0.04 0.00 -1.01 0.00 0.00 57.07 57.81 5pep s TYR 125 Cb -0.01 -3.39 0.24 0.00 -0.11 0.00 0.00 41.96 38.69 5pep s TYR 125 CO 0.08 -1.10 0.91 -0.35 -1.11 0.00 0.00 175.55 173.98 5pep n PRO 126 N 0.62 0.09 -0.28 -1.71 -0.04 -1.26 -2.31 135.00 130.10 5pep n PRO 126 Ca 0.01 0.18 -0.06 0.00 -0.04 0.00 0.00 63.50 63.59 5pep n PRO 126 Cb 0.45 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.48 5pep n PRO 126 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 5pep h SER 127 N 0.00 1.09 -0.59 3.54 0.02 -1.90 -2.95 113.55 112.77 5pep h SER 127 Ca 0.00 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.66 5pep h SER 127 Cb 0.03 -0.29 -0.06 0.00 0.14 0.00 0.00 62.40 62.22 5pep h SER 127 CO 0.00 0.99 0.12 2.30 -1.14 0.00 0.00 176.83 179.10 5pep n ILE 128 N -4.26 2.76 -2.71 3.27 -5.35 -0.98 -4.96 119.36 107.13 5pep n ILE 128 Ca 0.07 -1.67 -0.42 0.00 -0.27 0.00 0.00 62.75 60.46 5pep n ILE 128 Cb 0.21 -0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 37.77 5pep n ILE 128 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 5pep s SER 129 N -1.19 7.19 0.02 7.28 0.15 -1.12 -4.64 113.70 121.39 5pep s SER 129 Ca 0.52 1.46 -0.30 0.00 0.70 0.00 0.00 55.95 58.33 5pep s SER 129 Cb 0.42 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 62.13 5pep s SER 129 CO 0.13 -0.47 1.36 0.00 1.20 0.00 0.00 173.24 175.46 5pep s ALA 130 N 2.19 3.56 -0.24 5.45 0.00 -1.26 -2.34 121.76 129.12 5pep s ALA 130 Ca 0.46 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.33 5pep s ALA 130 Cb -0.18 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.38 5pep s ALA 130 CO 0.15 -0.79 0.00 0.43 0.00 0.00 0.00 175.76 175.55 5pep n SER 131 N 4.94 -3.44 -2.91 0.00 7.64 -1.26 -3.44 113.62 115.16 5pep n SER 131 Ca 0.12 0.06 -0.21 0.00 1.01 0.00 0.00 58.87 59.85 5pep n SER 131 Cb 0.44 -1.13 0.01 0.00 -1.01 0.00 0.00 64.21 62.52 5pep n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5pep n GLY 132 N -2.50 -0.51 3.70 0.23 0.00 -0.99 -4.92 105.19 100.21 5pep n GLY 132 Ca -0.02 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 5pep n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5pep s ALA 133 N -3.01 3.37 -0.13 4.61 0.00 -1.22 -4.97 121.76 120.40 5pep s ALA 133 Ca 0.23 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 5pep s ALA 133 Cb -0.11 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 5pep s ALA 133 CO 0.28 -0.49 2.03 0.99 0.00 0.00 0.00 175.76 178.57 5pep s THR 134 N 1.44 3.12 0.95 0.00 2.01 -1.26 -4.82 115.64 117.08 5pep s THR 134 Ca 0.56 0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.59 5pep s THR 134 Cb -0.25 -3.13 0.17 0.00 0.01 0.00 0.00 72.50 69.29 5pep s THR 134 CO 0.26 -0.06 1.13 -2.84 -0.69 0.00 0.00 174.62 172.42 5pep s PRO 135 N 5.43 0.73 0.04 4.92 0.02 -1.26 -4.59 135.00 140.29 5pep s PRO 135 Ca 0.91 1.46 -0.26 0.00 0.02 0.00 0.00 61.00 63.13 5pep s PRO 135 Cb -0.35 -1.70 -0.17 0.00 0.02 0.00 0.00 34.50 32.30 5pep s PRO 135 CO 0.36 -2.80 1.48 0.28 -0.33 0.00 0.00 177.00 175.99 5pep h VAL 136 N -1.99 0.79 -0.04 3.83 2.07 -1.82 -1.91 116.25 117.18 5pep h VAL 136 Ca -0.46 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 66.73 5pep h VAL 136 Cb 1.28 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 5pep h VAL 136 CO 0.43 0.08 0.03 0.15 0.02 0.00 0.00 177.57 178.27 5pep h PHE 137 N -0.53 0.00 -0.10 1.57 -0.00 -1.93 0.14 116.94 116.09 5pep h PHE 137 Ca -0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 57.97 57.72 5pep h PHE 137 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.34 5pep h PHE 137 CO -0.01 0.00 -0.80 -0.44 -0.00 0.00 0.00 178.31 177.06 5pep h ASP 138 N 0.00 0.74 0.86 0.41 3.32 -1.90 -1.63 116.42 118.21 5pep h ASP 138 Ca 0.02 -0.50 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 5pep h ASP 138 Cb 0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 5pep h ASP 138 CO -0.00 1.28 -0.47 -1.13 -1.72 0.00 0.00 179.24 177.20 5pep h ASN 139 N 0.40 0.00 -0.02 6.45 -1.24 -0.23 -1.47 115.58 119.48 5pep h ASN 139 Ca -0.05 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.93 5pep h ASN 139 Cb 1.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.46 5pep h ASN 139 CO 0.15 0.47 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.60 5pep h LEU 140 N 0.00 0.12 -0.33 0.34 3.38 -0.75 -2.21 115.31 115.86 5pep h LEU 140 Ca -0.00 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.32 5pep h LEU 140 Cb 1.02 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 5pep h LEU 140 CO 0.06 0.76 0.18 -0.25 0.09 0.00 0.00 178.44 179.28 5pep h TRP 141 N -0.52 0.33 -0.76 1.13 2.91 -1.26 0.13 115.95 117.91 5pep h TRP 141 Ca -0.01 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.07 5pep h TRP 141 Cb 0.76 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.25 5pep h TRP 141 CO 0.15 0.19 0.47 -0.44 -1.03 0.00 0.00 178.44 177.78 5pep h ASP 142 N 0.37 0.75 -0.25 2.65 3.32 -1.34 -1.06 116.42 120.86 5pep h ASP 142 Ca 0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 5pep h ASP 142 Cb 0.03 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.43 5pep h ASP 142 CO -0.08 0.49 0.00 0.00 -1.72 0.00 0.00 179.24 177.94 5pep n GLN 143 N -4.66 1.60 -3.79 3.56 6.02 -0.83 -4.90 117.38 114.37 5pep n GLN 143 Ca 0.10 -0.93 -0.26 0.00 -0.01 0.00 0.00 57.00 55.90 5pep n GLN 143 Cb 0.14 -1.22 0.03 0.00 1.02 0.00 0.00 30.24 30.21 5pep n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 5pep n GLY 144 N 0.93 -0.41 0.10 1.08 0.00 -0.40 -4.87 105.19 101.63 5pep n GLY 144 Ca 0.10 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.40 5pep n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 5pep n LEU 145 N -4.53 0.92 -4.13 0.99 4.77 0.37 -4.85 117.00 110.55 5pep n LEU 145 Ca -0.11 -0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 55.35 5pep n LEU 145 Cb 0.59 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 5pep n LEU 145 CO 0.72 0.20 -0.49 0.68 -1.33 0.00 0.00 177.39 177.17 5pep s VAL 146 N -2.85 1.28 0.17 4.08 -7.23 -1.25 -4.77 120.40 109.81 5pep s VAL 146 Ca 0.13 -0.67 -0.12 0.00 -1.81 0.00 0.00 61.98 59.52 5pep s VAL 146 Cb 0.17 -1.08 0.06 0.00 0.56 0.00 0.00 36.38 36.10 5pep s VAL 146 CO 0.70 0.37 1.70 -1.28 -0.31 0.00 0.00 175.10 176.28 5pep h SER 147 N 5.96 0.83 -4.18 4.85 0.87 -1.89 -3.45 113.55 116.54 5pep h SER 147 Ca -0.35 -0.20 -0.61 0.00 -1.23 0.00 0.00 61.79 59.40 5pep h SER 147 Cb 1.16 -0.22 -0.24 0.00 -0.44 0.00 0.00 62.40 62.67 5pep h SER 147 CO 0.48 0.81 -0.85 -1.10 -0.53 0.00 0.00 176.83 175.65 5pep s GLN 148 N -5.42 1.35 -0.20 2.24 -0.21 -1.26 -5.04 119.66 111.13 5pep s GLN 148 Ca -0.13 -1.12 -0.03 0.00 0.02 0.00 0.00 55.36 54.10 5pep s GLN 148 Cb 0.13 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.49 5pep s GLN 148 CO 0.80 0.39 2.82 -3.47 -2.12 0.00 0.00 175.29 173.72 5pep n ASP 149 N 1.39 5.86 -4.06 5.90 4.64 -1.26 -4.15 116.55 124.86 5pep n ASP 149 Ca -0.18 -2.80 -0.10 0.00 -1.38 0.00 0.00 54.79 50.33 5pep n ASP 149 Cb 0.53 -1.25 -0.08 0.00 -1.04 0.00 0.00 41.12 39.28 5pep n ASP 149 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 5pep s LEU 150 N -1.00 0.84 0.02 -2.67 0.05 -1.26 -1.17 118.68 113.48 5pep s LEU 150 Ca 0.48 -1.07 -0.11 0.00 0.05 0.00 0.00 54.13 53.47 5pep s LEU 150 Cb 0.28 1.09 0.01 0.00 -2.05 0.00 0.00 46.19 45.51 5pep s LEU 150 CO -0.07 -0.95 0.23 0.72 -0.55 0.00 0.00 176.35 175.73 5pep s PHE 151 N -4.05 -0.04 0.08 3.48 -0.71 -0.93 -0.42 117.98 115.39 5pep s PHE 151 Ca 0.26 -0.04 0.03 0.00 -1.04 0.00 0.00 56.93 56.15 5pep s PHE 151 Cb 0.03 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 5pep s PHE 151 CO 0.07 -0.40 -0.10 -1.54 -1.34 0.00 0.00 175.22 171.91 5pep s SER 152 N -1.69 1.35 -0.01 1.98 1.04 0.18 -1.10 113.70 115.45 5pep s SER 152 Ca -0.10 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 55.61 5pep s SER 152 Cb -0.04 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.09 5pep s SER 152 CO -0.00 -0.23 -0.05 -0.69 0.98 0.00 0.00 173.24 173.25 5pep s VAL 153 N -2.10 0.42 -0.17 5.02 1.01 -0.42 0.14 120.40 124.30 5pep s VAL 153 Ca 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.79 5pep s VAL 153 Cb -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.98 5pep s VAL 153 CO 0.00 0.12 -0.20 -0.47 0.00 0.00 0.00 175.10 174.55 5pep s TYR 154 N -0.07 2.71 -0.13 5.22 5.04 0.11 -3.47 117.35 126.75 5pep s TYR 154 Ca 0.01 -1.53 -0.01 0.00 -2.44 0.00 0.00 57.07 53.10 5pep s TYR 154 Cb -0.03 -1.87 -0.02 0.00 0.35 0.00 0.00 41.96 40.40 5pep s TYR 154 CO -0.00 -0.74 -0.10 -0.51 -1.34 0.00 0.00 175.55 172.86 5pep s LEU 155 N 1.15 2.90 0.53 6.97 1.43 -1.26 -0.14 118.68 130.27 5pep s LEU 155 Ca 0.01 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 5pep s LEU 155 Cb -0.14 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 5pep s LEU 155 CO -0.09 0.18 1.12 -0.44 0.23 0.00 0.00 176.35 177.35 5pep s SER 156 N 0.27 5.80 0.24 2.29 0.01 -1.26 -4.63 113.70 116.42 5pep s SER 156 Ca -0.07 2.16 0.08 0.00 1.31 0.00 0.00 55.95 59.43 5pep s SER 156 Cb -0.15 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 5pep s SER 156 CO 0.05 -1.16 0.09 -0.44 0.41 0.00 0.00 173.24 172.18 5pep s SER 157 N -1.77 5.06 -1.08 2.44 0.01 -1.26 -4.79 113.70 112.31 5pep s SER 157 Ca 0.72 -0.40 -0.31 0.00 1.31 0.00 0.00 55.95 57.26 5pep s SER 157 Cb -0.23 -1.15 0.04 0.00 0.21 0.00 0.00 66.02 64.89 5pep s SER 157 CO 0.27 0.00 0.58 0.59 0.41 0.00 0.00 173.24 175.09 5pep n ASN 158 N -0.85 -3.49 0.00 2.44 5.03 -1.26 -1.41 115.26 115.72 5pep n ASN 158 Ca -0.08 -1.16 0.00 0.00 0.87 0.00 0.00 54.58 54.21 5pep n ASN 158 Cb 0.58 -1.39 0.00 0.00 -1.02 0.00 0.00 39.78 37.95 5pep n ASN 158 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 5pep n ASP 159 N -1.77 -1.58 -4.60 6.41 9.92 -1.26 -4.92 116.55 118.74 5pep n ASP 159 Ca -0.10 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.87 5pep n ASP 159 Cb 0.50 -2.18 0.20 0.00 -0.64 0.00 0.00 41.12 39.00 5pep n ASP 159 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 5pep s ASP 160 N -1.50 2.13 0.62 -2.24 -0.00 -0.50 -4.83 116.67 110.35 5pep s ASP 160 Ca 0.00 1.69 -0.02 0.00 -0.00 0.00 0.00 52.55 54.22 5pep s ASP 160 Cb 0.00 -2.33 0.04 0.00 -0.00 0.00 0.00 42.92 40.63 5pep s ASP 160 CO 0.00 -3.51 0.88 -0.55 -0.00 0.00 0.00 175.17 171.98 5pep s SER 161 N -2.80 5.08 0.00 0.27 0.15 -1.26 -4.57 113.70 110.57 5pep s SER 161 Ca 0.67 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.51 5pep s SER 161 Cb -0.23 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 5pep s SER 161 CO 0.61 -1.34 0.00 0.61 1.20 0.00 0.00 173.24 174.32 5pep n GLY 162 N -2.59 1.31 3.72 9.45 0.00 -1.26 -4.89 105.19 110.92 5pep n GLY 162 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 5pep n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 5pep s SER 163 N -1.63 6.86 0.06 1.61 0.01 -1.26 -4.79 113.70 114.55 5pep s SER 163 Ca 0.00 2.29 -0.17 0.00 1.31 0.00 0.00 55.95 59.38 5pep s SER 163 Cb 0.00 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.68 5pep s SER 163 CO 0.00 -0.63 0.39 0.54 0.41 0.00 0.00 173.24 173.95 5pep s VAL 164 N 1.08 0.06 -0.24 3.43 0.11 0.80 -0.69 120.40 124.96 5pep s VAL 164 Ca 0.64 -0.53 -0.00 0.00 -2.93 0.00 0.00 61.98 59.15 5pep s VAL 164 Cb -0.36 -0.99 0.03 0.00 -1.53 0.00 0.00 36.38 33.53 5pep s VAL 164 CO 0.30 -0.29 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.99 5pep s VAL 165 N -2.73 2.59 -0.37 2.04 1.01 -0.73 0.08 120.40 122.29 5pep s VAL 165 Ca -0.04 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.70 5pep s VAL 165 Cb -0.00 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.07 5pep s VAL 165 CO -0.04 0.23 0.26 -0.76 0.00 0.00 0.00 175.10 174.79 5pep s LEU 166 N 1.28 4.78 -0.16 3.92 1.43 0.36 -2.46 118.68 127.84 5pep s LEU 166 Ca -0.00 -0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 52.16 5pep s LEU 166 Cb -0.16 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 5pep s LEU 166 CO -0.06 -0.34 0.82 -0.76 0.23 0.00 0.00 176.35 176.23 5pep s LEU 167 N 1.68 4.19 -1.32 1.79 1.43 -1.00 0.48 118.68 125.93 5pep s LEU 167 Ca 0.05 1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 54.28 5pep s LEU 167 Cb -0.18 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 42.83 5pep s LEU 167 CO 0.10 -0.37 1.00 0.61 0.23 0.00 0.00 176.35 177.92 5pep n GLY 168 N 3.42 -0.43 3.57 -3.19 0.00 0.44 -1.75 105.19 107.25 5pep n GLY 168 Ca 0.04 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 5pep n GLY 168 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 5pep s GLY 169 N -3.87 -0.37 -0.05 -0.02 0.00 -1.26 -4.08 107.32 97.68 5pep s GLY 169 Ca 0.29 1.21 0.02 0.00 0.00 0.00 0.00 44.72 46.24 5pep s GLY 169 CO 0.76 0.39 -0.08 -0.42 0.00 0.00 0.00 173.10 173.76 5pep s ILE 170 N -2.75 0.78 -0.27 0.90 1.01 -1.26 -3.86 121.20 115.74 5pep s ILE 170 Ca 0.08 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.46 5pep s ILE 170 Cb -0.01 -0.74 0.08 0.00 0.01 0.00 0.00 42.46 41.80 5pep s ILE 170 CO -0.06 0.27 -0.01 -0.62 0.00 0.00 0.00 174.94 174.52 5pep s ASP 171 N 0.68 4.13 0.00 3.58 3.68 -1.26 -4.98 116.67 122.51 5pep s ASP 171 Ca -0.11 -1.50 0.00 0.00 2.13 0.00 0.00 52.55 53.07 5pep s ASP 171 Cb -0.14 -1.25 0.00 0.00 -1.45 0.00 0.00 42.92 40.08 5pep s ASP 171 CO 0.01 -0.30 0.82 -1.20 0.13 0.00 0.00 175.17 174.63 5pep n SER 172 N 4.59 0.00 0.22 -0.34 7.64 -1.26 -1.97 113.62 122.50 5pep n SER 172 Ca -0.07 0.33 0.11 0.00 1.01 0.00 0.00 58.87 60.25 5pep n SER 172 Cb 0.43 -0.33 0.37 0.00 -1.01 0.00 0.00 64.21 63.67 5pep n SER 172 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 5pep h SER 173 N 0.00 0.00 0.60 6.43 0.87 -2.03 -3.25 113.55 116.17 5pep h SER 173 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 5pep h SER 173 Cb 0.07 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 5pep h SER 173 CO 0.00 0.18 -1.41 -1.22 -0.53 0.00 0.00 176.83 173.85 5pep n TYR 174 N -3.24 0.60 -4.31 2.24 4.01 -0.83 -4.78 117.16 110.84 5pep n TYR 174 Ca 0.01 0.18 -0.17 0.00 -0.16 0.00 0.00 57.90 57.76 5pep n TYR 174 Cb 0.48 -0.80 -0.10 0.00 -0.31 0.00 0.00 39.34 38.61 5pep n TYR 174 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 5pep s TYR 175 N -3.39 1.52 0.12 -0.72 1.13 -1.23 -1.19 117.35 113.59 5pep s TYR 175 Ca -0.04 -0.77 0.06 0.00 -1.41 0.00 0.00 57.07 54.91 5pep s TYR 175 Cb 0.11 -0.81 -0.04 0.00 -1.10 0.00 0.00 41.96 40.12 5pep s TYR 175 CO 0.84 0.12 -0.01 0.95 -2.51 0.00 0.00 175.55 174.93 5pep s THR 176 N -3.25 3.82 0.00 -3.49 -4.23 0.52 -4.76 115.64 104.25 5pep s THR 176 Ca 0.23 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 5pep s THR 176 Cb 0.03 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.02 5pep s THR 176 CO 0.06 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 5pep n GLY 177 N 0.36 -1.87 3.85 3.99 0.00 -1.26 -4.04 105.19 106.21 5pep n GLY 177 Ca -0.11 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 5pep n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 5pep s SER 178 N -4.00 5.87 -0.32 1.61 0.15 -1.26 -5.03 113.70 110.71 5pep s SER 178 Ca 0.00 0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.42 5pep s SER 178 Cb 0.00 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 5pep s SER 178 CO 0.00 0.12 1.57 -0.76 1.20 0.00 0.00 173.24 175.38 5pep s LEU 179 N -2.75 3.69 -0.17 3.45 1.43 -1.26 -4.71 118.68 118.35 5pep s LEU 179 Ca 0.32 1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 54.47 5pep s LEU 179 Cb -0.12 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 5pep s LEU 179 CO 0.25 -1.42 0.58 0.20 0.23 0.00 0.00 176.35 176.19 5pep s ASN 180 N 4.51 6.68 -0.09 2.29 0.01 0.18 -4.85 114.94 123.67 5pep s ASN 180 Ca 0.69 0.82 -0.01 0.00 -0.71 0.00 0.00 52.86 53.65 5pep s ASN 180 Cb -0.20 -2.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 5pep s ASN 180 CO 0.31 -0.18 -0.03 0.26 -1.51 0.00 0.00 177.10 175.95 5pep s TRP 181 N 1.49 3.05 -0.13 2.20 0.52 -1.26 -0.17 118.94 124.65 5pep s TRP 181 Ca 0.28 0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.46 5pep s TRP 181 Cb -0.16 -1.79 -0.00 0.00 -1.15 0.00 0.00 33.47 30.37 5pep s TRP 181 CO 0.11 0.33 -0.19 0.08 0.02 0.00 0.00 176.95 177.31 5pep s VAL 182 N -0.65 2.47 0.71 4.03 1.01 0.75 -4.95 120.40 123.78 5pep s VAL 182 Ca 0.10 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 5pep s VAL 182 Cb -0.12 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.29 5pep s VAL 182 CO 0.02 0.54 1.11 -2.16 0.00 0.00 0.00 175.10 174.60 5pep s PRO 183 N 0.55 2.52 -0.26 2.72 0.04 -1.26 -0.89 135.00 138.41 5pep s PRO 183 Ca -0.11 1.31 -0.22 0.00 0.04 0.00 0.00 61.00 62.02 5pep s PRO 183 Cb -0.16 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 5pep s PRO 183 CO 0.04 -1.46 0.71 0.08 0.04 0.00 0.00 177.00 176.41 5pep s VAL 184 N -2.57 4.91 0.01 -0.36 1.01 -1.03 -4.56 120.40 117.82 5pep s VAL 184 Ca 0.65 1.27 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 5pep s VAL 184 Cb -0.19 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 5pep s VAL 184 CO 0.48 -0.04 1.04 0.28 0.00 0.00 0.00 175.10 176.86 5pep h SER 185 N 7.86 -0.11 -3.25 3.32 0.02 -1.29 -3.43 113.55 116.67 5pep h SER 185 Ca -0.25 0.01 -0.50 0.00 -0.84 0.00 0.00 61.79 60.21 5pep h SER 185 Cb 1.11 0.04 -0.36 0.00 0.14 0.00 0.00 62.40 63.33 5pep h SER 185 CO 0.82 -0.04 -0.80 -0.69 -1.14 0.00 0.00 176.83 174.98 5pep s VAL 186 N -3.20 0.89 -0.24 2.27 1.01 -1.26 -5.08 120.40 114.79 5pep s VAL 186 Ca -0.01 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 5pep s VAL 186 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 5pep s VAL 186 CO 0.04 0.34 1.36 -1.61 0.00 0.00 0.00 175.10 175.23 5pep s GLU 187 N 1.55 3.99 0.00 2.72 2.02 -1.26 -4.32 118.70 123.39 5pep s GLU 187 Ca 0.01 1.47 0.00 0.00 0.02 0.00 0.00 54.97 56.47 5pep s GLU 187 Cb -0.13 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.22 5pep s GLU 187 CO -0.05 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.60 5pep n GLY 188 N 4.19 -2.53 3.14 -1.39 0.00 -1.26 -4.90 105.19 102.44 5pep n GLY 188 Ca 0.15 0.82 -0.22 0.00 0.00 0.00 0.00 46.02 46.78 5pep n GLY 188 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 5pep n TYR 189 N 0.00 -3.56 -2.71 1.61 4.01 -1.26 -2.17 117.16 113.07 5pep n TYR 189 Ca 0.00 -1.17 -0.43 0.00 -0.16 0.00 0.00 57.90 56.15 5pep n TYR 189 Cb 0.00 -0.73 0.01 0.00 -0.31 0.00 0.00 39.34 38.31 5pep n TYR 189 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 5pep n TRP 190 N -3.09 2.50 -2.64 -0.72 7.02 -1.26 -4.78 117.44 114.48 5pep n TRP 190 Ca 0.13 -2.65 -0.43 0.00 -1.02 0.00 0.00 57.50 53.54 5pep n TRP 190 Cb 0.47 -1.51 -0.02 0.00 -2.42 0.00 0.00 31.31 27.83 5pep n TRP 190 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 5pep s GLN 191 N -1.71 4.13 0.20 -0.99 0.74 -1.26 -0.73 119.66 120.04 5pep s GLN 191 Ca 0.35 1.19 0.07 0.00 0.05 0.00 0.00 55.36 57.02 5pep s GLN 191 Cb 0.08 -3.71 -0.05 0.00 1.10 0.00 0.00 33.01 30.44 5pep s GLN 191 CO 0.05 -0.81 -0.14 0.42 -0.55 0.00 0.00 175.29 174.27 5pep s ILE 192 N 3.51 1.65 -0.16 -2.34 1.01 0.76 -0.78 121.20 124.85 5pep s ILE 192 Ca 0.45 -2.18 -0.15 0.00 0.00 0.00 0.00 60.65 58.77 5pep s ILE 192 Cb -0.13 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 5pep s ILE 192 CO 0.12 -0.61 0.36 -0.89 0.00 0.00 0.00 174.94 173.91 5pep s THR 193 N -3.01 5.25 -0.12 2.92 2.01 -1.26 -1.48 115.64 119.95 5pep s THR 193 Ca 0.21 0.67 -0.07 0.00 0.31 0.00 0.00 61.69 62.82 5pep s THR 193 Cb -0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 5pep s THR 193 CO 0.06 0.34 0.12 -0.76 -0.69 0.00 0.00 174.62 173.68 5pep s LEU 194 N 0.75 4.26 -0.12 4.42 1.02 -0.19 -4.36 118.68 124.46 5pep s LEU 194 Ca 0.19 0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.76 5pep s LEU 194 Cb -0.14 -2.04 -0.24 0.00 0.02 0.00 0.00 46.19 43.79 5pep s LEU 194 CO 0.06 0.38 0.38 0.47 0.02 0.00 0.00 176.35 177.66 5pep n ASP 195 N 2.15 1.57 -3.65 2.29 10.43 0.10 -2.47 116.55 126.97 5pep n ASP 195 Ca -0.19 0.22 -0.05 0.00 2.57 0.00 0.00 54.79 57.34 5pep n ASP 195 Cb 0.55 -0.43 -0.01 0.00 1.84 0.00 0.00 41.12 43.06 5pep n ASP 195 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 5pep s SER 196 N -6.58 -0.16 -0.18 -2.24 1.04 -1.22 -3.07 113.70 101.29 5pep s SER 196 Ca -0.17 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 5pep s SER 196 Cb 0.07 0.61 0.06 0.00 0.10 0.00 0.00 66.02 66.86 5pep s SER 196 CO 0.77 -1.15 0.07 -0.63 0.98 0.00 0.00 173.24 173.29 5pep s ILE 197 N -3.27 0.10 0.32 -1.02 1.01 -1.02 -2.08 121.20 115.24 5pep s ILE 197 Ca 0.13 -0.28 0.10 0.00 0.00 0.00 0.00 60.65 60.59 5pep s ILE 197 Cb -0.03 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.67 5pep s ILE 197 CO 0.05 -0.26 -0.04 0.42 0.00 0.00 0.00 174.94 175.11 5pep s THR 198 N 2.05 2.71 -0.30 2.92 -4.23 0.63 -1.23 115.64 118.20 5pep s THR 198 Ca 0.01 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 5pep s THR 198 Cb -0.16 -2.70 0.13 0.00 1.34 0.00 0.00 72.50 71.10 5pep s THR 198 CO -0.09 -0.27 0.75 -0.32 -0.54 0.00 0.00 174.62 174.15 5pep s MET 199 N -3.66 0.53 -1.63 3.99 0.00 -0.43 0.45 119.30 118.55 5pep s MET 199 Ca 0.33 1.23 0.00 0.00 0.00 0.00 0.00 55.69 57.25 5pep s MET 199 Cb -0.02 0.63 0.00 0.00 0.00 0.00 0.00 34.83 35.44 5pep s MET 199 CO 0.18 -0.16 0.00 -0.25 0.00 0.00 0.00 175.02 174.79 5pep n ASP 200 N 5.07 -5.02 0.00 1.11 10.43 -1.26 -1.10 116.55 125.78 5pep n ASP 200 Ca -0.13 0.21 0.00 0.00 2.57 0.00 0.00 54.79 57.44 5pep n ASP 200 Cb 0.52 -4.06 0.00 0.00 1.84 0.00 0.00 41.12 39.42 5pep n ASP 200 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 5pep n GLY 201 N -0.95 0.73 3.67 0.44 0.00 -1.26 -4.99 105.19 102.82 5pep n GLY 201 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 5pep n GLY 201 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 5pep s GLU 202 N -0.25 4.06 -1.06 1.61 -1.05 -0.26 -5.03 118.70 116.72 5pep s GLU 202 Ca 0.00 -0.30 -0.22 0.00 -0.15 0.00 0.00 54.97 54.30 5pep s GLU 202 Cb 0.00 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.40 5pep s GLU 202 CO 0.00 0.28 1.73 0.99 0.95 0.00 0.00 175.26 179.21 5pep s THR 203 N 0.36 3.75 -1.59 1.83 2.01 -1.26 -1.32 115.64 119.42 5pep s THR 203 Ca 0.05 -0.88 0.14 0.00 0.31 0.00 0.00 61.69 61.31 5pep s THR 203 Cb -0.12 -4.69 0.28 0.00 0.01 0.00 0.00 72.50 67.99 5pep s THR 203 CO -0.01 -1.50 1.33 2.30 -0.69 0.00 0.00 174.62 176.05 5pep n ILE 204 N 7.25 0.45 0.00 1.82 -5.35 -0.37 -4.87 119.36 118.29 5pep n ILE 204 Ca 0.40 0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.99 5pep n ILE 204 Cb 0.48 -0.89 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 5pep n ILE 204 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 5pep n ALA 205 N -1.20 0.00 -3.88 -1.28 0.00 -0.94 -4.80 120.51 108.40 5pep n ALA 205 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 5pep n ALA 205 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 5pep n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5pep s SER 207 N -4.33 7.06 0.00 0.00 0.01 -1.26 -2.60 113.70 112.57 5pep s SER 207 Ca 0.02 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.52 5pep s SER 207 Cb -0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.62 5pep s SER 207 CO 0.87 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.72 5pep n GLY 208 N 2.33 0.31 0.00 3.44 0.00 -1.26 -4.82 105.19 105.20 5pep n GLY 208 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 5pep n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5pep n GLY 209 N -1.31 1.34 3.70 -0.02 0.00 -1.07 -5.06 105.19 102.76 5pep n GLY 209 Ca 0.00 -1.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 5pep n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5pep s GLN 211 N -3.40 3.14 -0.06 0.00 -1.52 -1.26 -1.02 119.66 115.54 5pep s GLN 211 Ca 0.10 -0.53 -0.06 0.00 -1.95 0.00 0.00 55.36 52.92 5pep s GLN 211 Cb -0.02 -2.89 0.02 0.00 -0.22 0.00 0.00 33.01 29.90 5pep s GLN 211 CO -0.00 0.61 0.17 0.00 -0.25 0.00 0.00 175.29 175.82 5pep s ALA 212 N -1.36 -0.41 0.09 6.09 0.00 -0.55 -1.78 121.76 123.84 5pep s ALA 212 Ca 0.29 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.72 5pep s ALA 212 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 5pep s ALA 212 CO 0.21 -0.09 -0.04 0.96 0.00 0.00 0.00 175.76 176.79 5pep s ILE 213 N -0.06 3.75 -0.69 0.00 -4.36 -0.31 -0.17 121.20 119.36 5pep s ILE 213 Ca -0.02 -1.07 -0.20 0.00 -0.26 0.00 0.00 60.65 59.11 5pep s ILE 213 Cb -0.02 -2.76 0.10 0.00 1.25 0.00 0.00 42.46 41.03 5pep s ILE 213 CO 0.00 0.14 0.89 -0.69 0.24 0.00 0.00 174.94 175.52 5pep s VAL 214 N -1.25 4.66 -0.23 8.37 1.01 0.09 0.69 120.40 133.74 5pep s VAL 214 Ca 0.23 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 5pep s VAL 214 Cb -0.11 -4.62 0.01 0.00 0.00 0.00 0.00 36.38 31.65 5pep s VAL 214 CO 0.16 -1.32 -0.04 -0.62 0.00 0.00 0.00 175.10 173.27 5pep s ASP 215 N 3.58 4.32 0.00 3.32 -1.08 -1.01 -4.62 116.67 121.18 5pep s ASP 215 Ca 0.20 -0.58 0.29 0.00 -0.52 0.00 0.00 52.55 51.94 5pep s ASP 215 Cb -0.17 -1.72 1.26 0.00 -1.46 0.00 0.00 42.92 40.83 5pep s ASP 215 CO 0.04 -0.07 1.90 0.35 0.52 0.00 0.00 175.17 177.91 5pep n THR 216 N 4.76 0.00 0.34 1.71 -2.24 -1.26 -3.28 114.28 114.31 5pep n THR 216 Ca -0.17 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.70 5pep n THR 216 Cb 0.49 -0.29 0.26 0.00 -2.10 0.00 0.00 70.33 68.69 5pep n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5pep n GLY 217 N 1.36 1.62 3.21 3.38 0.00 -1.26 -4.77 105.19 108.73 5pep n GLY 217 Ca 0.12 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 5pep n GLY 217 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5pep s THR 218 N -1.44 2.35 0.06 2.61 2.01 -1.20 -5.05 115.64 114.97 5pep s THR 218 Ca 0.39 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 5pep s THR 218 Cb 0.22 -1.97 -0.15 0.00 0.01 0.00 0.00 72.50 70.61 5pep s THR 218 CO 0.31 0.53 1.30 0.28 -0.69 0.00 0.00 174.62 176.34 5pep h SER 219 N 7.36 0.65 -0.77 3.53 0.02 -1.86 0.18 113.55 122.66 5pep h SER 219 Ca -0.33 -0.58 -0.54 0.00 -0.84 0.00 0.00 61.79 59.49 5pep h SER 219 Cb 1.19 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 5pep h SER 219 CO 0.57 1.11 -0.26 -0.76 -1.14 0.00 0.00 176.83 176.35 5pep s LEU 220 N -8.74 2.91 -0.42 5.07 1.02 -1.26 -2.86 118.68 114.40 5pep s LEU 220 Ca -0.13 -1.06 -0.13 0.00 0.02 0.00 0.00 54.13 52.83 5pep s LEU 220 Cb 0.07 -1.44 0.05 0.00 0.02 0.00 0.00 46.19 44.89 5pep s LEU 220 CO 0.82 -1.10 0.29 -0.76 0.02 0.00 0.00 176.35 175.63 5pep s LEU 221 N -4.36 5.16 -0.09 1.79 1.02 0.37 -3.35 118.68 119.22 5pep s LEU 221 Ca 0.43 -1.18 -0.07 0.00 0.02 0.00 0.00 54.13 53.34 5pep s LEU 221 Cb -0.03 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 5pep s LEU 221 CO 0.27 -0.51 0.17 -0.89 0.02 0.00 0.00 176.35 175.41 5pep s THR 222 N 1.58 5.46 0.18 5.49 2.01 -1.12 -1.41 115.64 127.83 5pep s THR 222 Ca 0.03 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.99 5pep s THR 222 Cb -0.21 -3.45 0.07 0.00 0.01 0.00 0.00 72.50 68.92 5pep s THR 222 CO 0.06 0.56 0.99 -0.83 -0.69 0.00 0.00 174.62 174.72 5pep s GLY 223 N -1.19 -0.06 0.13 4.40 0.00 -1.10 0.07 107.32 109.57 5pep s GLY 223 Ca 0.18 -0.10 -0.33 0.00 0.00 0.00 0.00 44.72 44.47 5pep s GLY 223 CO 0.07 0.97 1.72 -1.05 0.00 0.00 0.00 173.10 174.81 5pep n PRO 224 N -0.57 2.47 -0.42 2.90 -0.02 -1.26 -0.27 135.00 137.83 5pep n PRO 224 Ca -0.05 0.89 0.34 0.00 -2.02 0.00 0.00 63.50 62.66 5pep n PRO 224 Cb 0.60 -2.73 0.62 0.00 -0.02 0.00 0.00 33.50 31.98 5pep n PRO 224 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 5pep h THR 225 N 4.18 0.23 -0.01 3.45 2.02 -1.87 -1.03 112.91 119.89 5pep h THR 225 Ca -0.45 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 5pep h THR 225 Cb 1.24 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 5pep h THR 225 CO 0.93 0.03 -0.02 -1.28 0.37 0.00 0.00 175.52 175.54 5pep h SER 226 N 0.16 0.04 -0.38 4.18 0.87 -2.00 -3.11 113.55 113.30 5pep h SER 226 Ca 0.75 -0.56 0.06 0.00 -1.23 0.00 0.00 61.79 60.82 5pep h SER 226 Cb 2.32 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 64.22 5pep h SER 226 CO -0.35 0.59 0.05 0.00 -0.53 0.00 0.00 176.83 176.59 5pep h ALA 227 N 0.45 0.39 0.00 6.23 0.00 -1.59 -2.07 119.26 122.67 5pep h ALA 227 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 5pep h ALA 227 Cb 0.58 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 5pep h ALA 227 CO 0.01 -0.35 -0.39 0.82 0.00 0.00 0.00 179.25 179.33 5pep h ILE 228 N 0.17 1.17 -0.82 0.00 5.03 -1.46 -2.72 117.51 118.88 5pep h ILE 228 Ca 0.19 -1.40 0.16 0.00 -0.12 0.00 0.00 64.86 63.68 5pep h ILE 228 Cb 0.24 1.78 -0.10 0.00 -3.03 0.00 0.00 36.82 35.70 5pep h ILE 228 CO -0.27 0.39 0.36 0.00 -0.68 0.00 0.00 178.15 177.95 5pep h ALA 229 N 1.61 1.22 -0.78 1.87 0.00 -1.30 0.25 119.26 122.12 5pep h ALA 229 Ca -0.00 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.05 5pep h ALA 229 Cb 0.75 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 5pep h ALA 229 CO 0.05 -0.20 0.51 -0.91 0.00 0.00 0.00 179.25 178.69 5pep h ASN 231 N 0.49 0.85 -0.04 0.00 -0.26 -1.45 0.68 115.58 115.85 5pep h ASN 231 Ca 0.46 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 56.16 5pep h ASN 231 Cb 0.74 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 5pep h ASN 231 CO -0.42 0.59 -0.11 0.40 -1.06 0.00 0.00 177.43 176.83 5pep h ILE 232 N 1.00 1.46 -0.76 2.81 2.04 -0.69 -2.41 117.51 120.96 5pep h ILE 232 Ca 0.31 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.61 5pep h ILE 232 Cb -0.03 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 5pep h ILE 232 CO -0.10 0.41 0.31 1.56 0.00 0.00 0.00 178.15 180.33 5pep h GLN 233 N -0.41 1.14 -0.72 2.37 1.08 -0.57 0.43 115.11 118.42 5pep h GLN 233 Ca -0.00 -0.21 0.04 0.00 -1.45 0.00 0.00 58.65 57.04 5pep h GLN 233 Cb 0.73 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.93 5pep h GLN 233 CO 0.02 0.93 0.48 0.77 -0.95 0.00 0.00 178.83 180.08 5pep h SER 234 N 1.10 0.73 -0.01 1.46 0.02 -0.91 0.19 113.55 116.13 5pep h SER 234 Ca 0.26 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.07 5pep h SER 234 Cb 0.21 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.60 5pep h SER 234 CO -0.02 0.49 -0.50 0.44 -1.14 0.00 0.00 176.83 176.10 5pep h ASP 235 N 0.84 0.47 -0.12 3.07 3.45 -0.82 -3.24 116.42 120.06 5pep h ASP 235 Ca 0.30 -0.75 0.00 0.00 0.43 0.00 0.00 57.03 57.01 5pep h ASP 235 Cb 0.12 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 5pep h ASP 235 CO -0.09 1.15 0.00 2.30 -1.57 0.00 0.00 179.24 181.03 5pep n ILE 236 N -4.29 0.16 -2.76 0.35 -5.35 0.07 -4.91 119.36 102.62 5pep n ILE 236 Ca -0.10 -0.22 -0.07 0.00 -0.27 0.00 0.00 62.75 62.09 5pep n ILE 236 Cb 0.62 0.11 0.02 0.00 -1.74 0.00 0.00 39.64 38.66 5pep n ILE 236 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 5pep n GLY 237 N 0.96 0.49 3.82 3.28 0.00 -0.15 -5.02 105.19 108.57 5pep n GLY 237 Ca 0.14 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 5pep n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5pep s ALA 238 N -3.09 2.98 -0.06 4.61 0.00 0.50 -4.76 121.76 121.94 5pep s ALA 238 Ca 0.14 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 5pep s ALA 238 Cb -0.06 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.90 5pep s ALA 238 CO 0.21 -0.08 -0.00 -1.12 0.00 0.00 0.00 175.76 174.76 5pep s SER 239 N -2.27 1.30 -0.82 0.00 0.01 -0.61 -4.78 113.70 106.52 5pep s SER 239 Ca 0.63 -0.07 -0.26 0.00 1.31 0.00 0.00 55.95 57.56 5pep s SER 239 Cb -0.11 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.75 5pep s SER 239 CO 0.18 -0.16 1.46 -1.61 0.41 0.00 0.00 173.24 173.53 5pep s GLU 240 N 1.69 3.18 1.09 12.44 0.41 -1.22 -2.30 118.70 133.99 5pep s GLU 240 Ca 0.00 -0.39 -0.16 0.00 -0.41 0.00 0.00 54.97 54.01 5pep s GLU 240 Cb -0.13 -4.63 0.23 0.00 -1.78 0.00 0.00 34.13 27.82 5pep s GLU 240 CO -0.04 -2.35 1.13 0.54 -0.49 0.00 0.00 175.26 174.06 5pep s ASN 241 N 5.05 1.91 0.00 -0.19 6.03 0.44 -4.81 114.94 123.38 5pep s ASN 241 Ca 0.46 0.76 0.00 0.00 -1.03 0.00 0.00 52.86 53.04 5pep s ASN 241 Cb -0.06 -1.13 0.00 0.00 -3.03 0.00 0.00 41.25 37.03 5pep s ASN 241 CO 0.07 -3.52 0.70 -0.24 -2.03 0.00 0.00 177.10 172.07 5pep n SER 242 N -4.38 0.00 0.00 3.54 2.88 -1.26 -1.20 113.62 113.20 5pep n SER 242 Ca 0.10 0.70 0.08 0.00 -1.33 0.00 0.00 58.87 58.42 5pep n SER 242 Cb 0.59 -0.34 0.43 0.00 -0.75 0.00 0.00 64.21 64.13 5pep n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 5pep n ASP 243 N -2.63 0.00 -0.46 -3.46 9.92 -1.26 -4.88 116.55 113.77 5pep n ASP 243 Ca 0.00 -0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 5pep n ASP 243 Cb 0.00 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 5pep n ASP 243 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 5pep n GLY 244 N 0.07 0.62 3.45 0.44 0.00 -0.34 -5.13 105.19 104.29 5pep n GLY 244 Ca 0.09 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 5pep n GLY 244 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5pep s GLU 245 N -2.31 1.15 -0.68 1.61 2.02 -1.25 -4.95 118.70 114.30 5pep s GLU 245 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.62 5pep s GLU 245 Cb 0.00 0.53 0.17 0.00 0.10 0.00 0.00 34.13 34.93 5pep s GLU 245 CO 0.00 -0.50 0.48 -1.64 0.02 0.00 0.00 175.26 173.62 5pep s MET 246 N -3.45 2.50 0.66 1.61 -1.94 -1.22 0.17 119.30 117.64 5pep s MET 246 Ca 0.01 -3.02 0.02 0.00 -1.71 0.00 0.00 55.69 50.99 5pep s MET 246 Cb -0.01 -3.54 0.13 0.00 2.01 0.00 0.00 34.83 33.41 5pep s MET 246 CO -0.11 -1.22 0.91 1.33 -0.01 0.00 0.00 175.02 175.92 5pep n VAL 247 N 2.57 0.00 -3.74 -6.03 0.24 -0.97 -2.69 118.33 107.72 5pep n VAL 247 Ca 0.14 -1.56 -0.14 0.00 -2.04 0.00 0.00 64.34 60.75 5pep n VAL 247 Cb 0.35 -0.84 -0.08 0.00 -1.47 0.00 0.00 33.84 31.79 5pep n VAL 247 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 5pep s ILE 248 N -2.81 0.05 -0.38 1.34 -4.36 0.21 -1.57 121.20 113.67 5pep s ILE 248 Ca 0.62 -0.42 -0.31 0.00 -0.26 0.00 0.00 60.65 60.28 5pep s ILE 248 Cb -0.04 -0.65 -0.09 0.00 1.25 0.00 0.00 42.46 42.93 5pep s ILE 248 CO 0.41 -0.23 2.28 -0.24 0.24 0.00 0.00 174.94 177.39 5pep n SER 249 N 1.26 2.39 0.25 4.36 2.88 -1.26 -4.29 113.62 119.22 5pep n SER 249 Ca -0.21 0.15 0.07 0.00 -1.33 0.00 0.00 58.87 57.55 5pep n SER 249 Cb 0.56 -1.39 0.36 0.00 -0.75 0.00 0.00 64.21 62.99 5pep n SER 249 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 5pep n SER 251 N -2.35 0.71 0.00 0.00 7.64 -1.26 -3.97 113.62 114.39 5pep n SER 251 Ca -0.01 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.05 5pep n SER 251 Cb 0.55 0.60 0.02 0.00 -1.01 0.00 0.00 64.21 64.38 5pep n SER 251 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 5pep n SER 252 N -2.44 0.00 -0.00 6.43 7.64 0.32 -3.04 113.62 122.53 5pep n SER 252 Ca 0.00 -1.01 -0.10 0.00 1.01 0.00 0.00 58.87 58.78 5pep n SER 252 Cb 0.52 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.76 5pep n SER 252 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 5pep h ILE 253 N 0.00 1.32 -0.05 0.44 2.04 -1.70 -3.27 117.51 116.28 5pep h ILE 253 Ca 0.00 -1.79 0.03 0.00 1.00 0.00 0.00 64.86 64.10 5pep h ILE 253 Cb 0.00 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 5pep h ILE 253 CO 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 178.15 178.60 5pep h ALA 254 N 0.95 -0.08 -0.05 1.87 0.00 -1.87 -3.23 119.26 116.86 5pep h ALA 254 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 5pep h ALA 254 Cb 1.10 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 5pep h ALA 254 CO 0.10 -0.58 -0.08 0.77 0.00 0.00 0.00 179.25 179.46 5pep h SER 255 N -0.16 0.15 -1.09 0.00 0.02 -1.81 -3.47 113.55 107.20 5pep h SER 255 Ca 0.06 -0.55 -0.80 0.00 -0.84 0.00 0.00 61.79 59.66 5pep h SER 255 Cb 0.24 -0.04 0.04 0.00 0.14 0.00 0.00 62.40 62.78 5pep h SER 255 CO -0.15 0.67 0.30 0.18 -1.14 0.00 0.00 176.83 176.70 5pep n LEU 256 N -4.70 0.58 0.00 5.07 4.32 -1.22 -5.01 117.00 116.04 5pep n LEU 256 Ca -0.08 1.16 0.00 0.00 -0.02 0.00 0.00 56.01 57.07 5pep n LEU 256 Cb 0.33 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.19 5pep n LEU 256 CO 0.36 -1.47 0.00 -0.81 -1.22 0.00 0.00 177.39 174.25 5pep n PRO 257 N 2.44 1.24 -4.53 3.23 -0.04 -1.26 -4.86 135.00 131.22 5pep n PRO 257 Ca 0.23 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.36 5pep n PRO 257 Cb 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.39 5pep n PRO 257 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 5pep s ASP 258 N -1.11 4.57 -0.21 3.54 1.11 -1.26 -4.45 116.67 118.86 5pep s ASP 258 Ca 0.00 -0.16 -0.24 0.00 0.18 0.00 0.00 52.55 52.33 5pep s ASP 258 Cb 0.00 -1.65 -0.01 0.00 1.07 0.00 0.00 42.92 42.33 5pep s ASP 258 CO 0.00 0.20 0.78 -0.51 1.18 0.00 0.00 175.17 176.82 5pep s ILE 259 N 0.18 4.90 -0.05 0.77 2.07 -0.96 -4.44 121.20 123.67 5pep s ILE 259 Ca -0.03 1.49 0.05 0.00 -1.41 0.00 0.00 60.65 60.75 5pep s ILE 259 Cb -0.14 -4.08 -0.02 0.00 0.13 0.00 0.00 42.46 38.35 5pep s ILE 259 CO 0.03 0.01 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.19 5pep s VAL 260 N 2.37 2.62 -0.18 4.00 1.01 0.17 -0.13 120.40 130.26 5pep s VAL 260 Ca 0.34 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 5pep s VAL 260 Cb -0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 5pep s VAL 260 CO 0.10 0.58 -0.05 -0.36 0.00 0.00 0.00 175.10 175.37 5pep s PHE 261 N -0.53 2.97 -0.29 5.22 0.08 -0.84 -0.27 117.98 124.31 5pep s PHE 261 Ca 0.07 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.44 5pep s PHE 261 Cb -0.11 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 5pep s PHE 261 CO 0.01 -0.28 0.12 0.99 -0.10 0.00 0.00 175.22 175.96 5pep s THR 262 N 0.87 4.45 -0.16 0.64 2.01 -0.88 -0.74 115.64 121.82 5pep s THR 262 Ca -0.01 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.65 5pep s THR 262 Cb -0.15 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.17 5pep s THR 262 CO 0.01 0.16 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.26 5pep s ILE 263 N 1.60 2.07 -1.63 1.82 1.01 -0.46 0.02 121.20 125.63 5pep s ILE 263 Ca 0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 5pep s ILE 263 Cb -0.16 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.46 5pep s ILE 263 CO 0.05 0.54 0.06 -3.20 0.00 0.00 0.00 174.94 172.39 5pep n ASN 264 N 4.40 -5.56 0.00 3.58 2.85 -1.26 -1.33 115.26 117.93 5pep n ASN 264 Ca -0.21 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 5pep n ASN 264 Cb 0.51 -4.63 0.00 0.00 1.24 0.00 0.00 39.78 36.90 5pep n ASN 264 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 5pep n GLY 265 N -1.03 2.72 3.73 8.20 0.00 -1.26 -5.02 105.19 112.53 5pep n GLY 265 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 5pep n GLY 265 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5pep s VAL 266 N -2.49 4.82 0.11 1.61 1.01 -0.44 -5.04 120.40 119.98 5pep s VAL 266 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 5pep s VAL 266 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 5pep s VAL 266 CO 0.00 0.30 1.00 -1.10 0.00 0.00 0.00 175.10 175.30 5pep s GLN 267 N 0.35 4.65 -0.43 2.72 -0.21 -1.26 -1.35 119.66 124.12 5pep s GLN 267 Ca 0.41 1.52 0.02 0.00 0.02 0.00 0.00 55.36 57.33 5pep s GLN 267 Cb -0.20 -3.36 0.14 0.00 1.00 0.00 0.00 33.01 30.59 5pep s GLN 267 CO 0.23 0.13 0.25 0.71 -2.12 0.00 0.00 175.29 174.50 5pep s TYR 268 N 0.11 1.75 0.55 0.91 1.51 0.08 -4.98 117.35 117.28 5pep s TYR 268 Ca 0.49 -2.31 -0.19 0.00 -1.01 0.00 0.00 57.07 54.05 5pep s TYR 268 Cb -0.25 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 5pep s TYR 268 CO 0.31 -0.78 1.11 -1.25 -1.11 0.00 0.00 175.55 173.82 5pep s PRO 269 N 0.37 3.35 -0.30 -1.71 0.04 -1.26 -1.99 135.00 133.50 5pep s PRO 269 Ca 0.19 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.78 5pep s PRO 269 Cb -0.21 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.41 5pep s PRO 269 CO -0.02 -0.83 0.03 -0.51 0.04 0.00 0.00 177.00 175.70 5pep s LEU 270 N -3.92 3.55 0.39 -3.56 1.43 0.82 -4.93 118.68 112.46 5pep s LEU 270 Ca 0.71 -1.75 -0.25 0.00 -1.03 0.00 0.00 54.13 51.81 5pep s LEU 270 Cb -0.22 -1.34 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 5pep s LEU 270 CO 0.28 -0.34 1.11 -0.55 0.23 0.00 0.00 176.35 177.08 5pep s SER 271 N 1.20 6.69 0.55 2.29 0.15 -1.26 -2.26 113.70 121.06 5pep s SER 271 Ca 0.05 2.19 0.25 0.00 0.70 0.00 0.00 55.95 59.15 5pep s SER 271 Cb -0.19 -2.60 1.48 0.00 -1.71 0.00 0.00 66.02 63.00 5pep s SER 271 CO -0.12 -0.55 2.05 -0.65 1.20 0.00 0.00 173.24 175.17 5pep h PRO 272 N 2.67 0.00 0.00 5.44 0.11 -1.89 0.43 132.00 138.76 5pep h PRO 272 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 5pep h PRO 272 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 5pep h PRO 272 CO 0.63 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.85 5pep n SER 273 N -4.15 0.26 -0.07 -2.05 7.64 -1.26 -1.72 113.62 112.27 5pep n SER 273 Ca 0.05 0.60 -0.15 0.00 1.01 0.00 0.00 58.87 60.37 5pep n SER 273 Cb 0.44 -0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 5pep n SER 273 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 5pep n ALA 274 N -1.62 1.96 0.70 -0.43 0.00 0.14 -4.65 120.51 116.61 5pep n ALA 274 Ca 0.01 -0.61 0.11 0.00 0.00 0.00 0.00 53.44 52.95 5pep n ALA 274 Cb 0.09 0.27 0.47 0.00 0.00 0.00 0.00 19.45 20.28 5pep n ALA 274 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 5pep n TYR 275 N -3.75 0.23 -3.86 0.00 4.11 -0.64 -4.56 117.16 108.67 5pep n TYR 275 Ca -0.28 0.08 -0.36 0.00 -0.00 0.00 0.00 57.90 57.34 5pep n TYR 275 Cb 0.66 -0.63 -0.14 0.00 -0.00 0.00 0.00 39.34 39.24 5pep n TYR 275 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 5pep s ILE 276 N -3.05 3.46 0.39 -3.48 1.01 -0.70 -0.66 121.20 118.17 5pep s ILE 276 Ca 0.10 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 5pep s ILE 276 Cb 0.14 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 5pep s ILE 276 CO 0.43 0.21 0.83 -0.76 0.00 0.00 0.00 174.94 175.66 5pep s LEU 277 N 1.44 3.93 -0.21 2.97 1.02 -0.44 -4.80 118.68 122.59 5pep s LEU 277 Ca 0.03 1.41 -0.27 0.00 0.02 0.00 0.00 54.13 55.32 5pep s LEU 277 Cb -0.16 -4.26 0.09 0.00 0.02 0.00 0.00 46.19 41.88 5pep s LEU 277 CO -0.01 -0.33 0.81 0.00 0.02 0.00 0.00 176.35 176.83 5pep s GLN 278 N -3.32 0.79 -0.00 1.70 -2.07 -1.26 -0.61 119.66 114.89 5pep s GLN 278 Ca 0.57 0.66 0.01 0.00 -1.82 0.00 0.00 55.36 54.77 5pep s GLN 278 Cb -0.10 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 5pep s GLN 278 CO 0.20 -0.15 0.01 -0.51 -1.32 0.00 0.00 175.29 173.52 5pep s ASP 279 N -0.16 5.19 0.00 12.60 1.11 -0.95 -4.94 116.67 129.52 5pep s ASP 279 Ca -0.02 0.01 0.00 0.00 0.18 0.00 0.00 52.55 52.72 5pep s ASP 279 Cb -0.03 -1.37 0.00 0.00 1.07 0.00 0.00 42.92 42.58 5pep s ASP 279 CO 0.02 0.28 0.00 -0.67 1.18 0.00 0.00 175.17 175.97 5pep n ASP 280 N 1.36 0.00 0.00 0.27 4.64 -1.26 -1.10 116.55 120.46 5pep n ASP 280 Ca -0.14 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.27 5pep n ASP 280 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.61 5pep n ASP 280 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 5pep n ASP 281 N 0.61 3.62 -3.64 1.67 9.92 -1.26 -5.10 116.55 122.37 5pep n ASP 281 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.20 5pep n ASP 281 Cb 0.00 0.09 -0.07 0.00 -0.64 0.00 0.00 41.12 40.50 5pep n ASP 281 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 5pep s SER 282 N -3.62 -0.51 -0.15 -2.24 0.01 -0.26 -5.04 113.70 101.90 5pep s SER 282 Ca 0.00 0.88 -0.20 0.00 1.31 0.00 0.00 55.95 57.94 5pep s SER 282 Cb 0.00 1.07 -0.03 0.00 0.21 0.00 0.00 66.02 67.26 5pep s SER 282 CO 0.00 -0.14 0.58 0.00 0.41 0.00 0.00 173.24 174.08 5pep s THR 284 N 1.23 1.82 -0.06 0.00 2.01 0.22 -0.62 115.64 120.24 5pep s THR 284 Ca 0.29 -1.87 -0.11 0.00 0.31 0.00 0.00 61.69 60.31 5pep s THR 284 Cb -0.16 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 5pep s THR 284 CO 0.12 0.00 0.29 -0.55 -0.69 0.00 0.00 174.62 173.78 5pep s SER 285 N -3.86 6.61 0.00 3.53 0.15 -1.09 -1.33 113.70 117.70 5pep s SER 285 Ca 0.29 0.73 0.16 0.00 0.70 0.00 0.00 55.95 57.82 5pep s SER 285 Cb 0.05 -2.17 0.45 0.00 -1.71 0.00 0.00 66.02 62.64 5pep s SER 285 CO 0.15 0.35 1.37 0.61 1.20 0.00 0.00 173.24 176.93 5pep n GLY 286 N 1.97 1.23 3.73 9.45 0.00 0.17 -4.71 105.19 117.03 5pep n GLY 286 Ca -0.16 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 5pep n GLY 286 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5pep s PHE 287 N -1.38 3.44 -0.03 1.61 0.40 -1.26 -0.48 117.98 120.29 5pep s PHE 287 Ca 0.33 0.48 0.03 0.00 -0.60 0.00 0.00 56.93 57.17 5pep s PHE 287 Cb 0.17 -2.26 0.00 0.00 0.51 0.00 0.00 43.02 41.45 5pep s PHE 287 CO 0.23 0.27 -0.09 -2.00 0.70 0.00 0.00 175.22 174.33 5pep s GLU 288 N 0.38 1.02 -0.11 0.44 2.12 -0.50 -4.93 118.70 117.12 5pep s GLU 288 Ca 0.13 -0.32 -0.22 0.00 0.36 0.00 0.00 54.97 54.92 5pep s GLU 288 Cb -0.12 -0.94 -0.03 0.00 0.26 0.00 0.00 34.13 33.29 5pep s GLU 288 CO 0.01 0.12 0.64 0.20 -0.54 0.00 0.00 175.26 175.69 5pep s GLY 289 N 0.19 2.44 -0.29 -1.50 0.00 -1.26 -2.69 107.32 104.21 5pep s GLY 289 Ca -0.03 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.71 5pep s GLY 289 CO 0.01 1.13 0.51 -0.29 0.00 0.00 0.00 173.10 174.45 5pep s MET 290 N 1.02 0.49 -0.31 2.90 0.00 0.62 -4.80 119.30 119.22 5pep s MET 290 Ca 0.33 0.40 -0.29 0.00 0.00 0.00 0.00 55.69 56.13 5pep s MET 290 Cb -0.17 0.01 -0.01 0.00 0.00 0.00 0.00 34.83 34.66 5pep s MET 290 CO 0.15 -1.00 1.57 -0.51 0.00 0.00 0.00 175.02 175.22 5pep s ASP 291 N 2.70 6.29 -0.61 1.11 1.01 -1.26 -4.16 116.67 121.76 5pep s ASP 291 Ca 0.11 1.29 0.04 0.00 0.71 0.00 0.00 52.55 54.70 5pep s ASP 291 Cb -0.11 -2.53 0.15 0.00 1.01 0.00 0.00 42.92 41.44 5pep s ASP 291 CO -0.27 -1.39 0.39 -0.69 0.21 0.00 0.00 175.17 173.42 5pep s VAL 292 N 5.56 2.52 0.59 -1.27 1.01 -1.26 -5.04 120.40 122.49 5pep s VAL 292 Ca 0.69 -3.73 -0.18 0.00 0.00 0.00 0.00 61.98 58.76 5pep s VAL 292 Cb -0.20 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 5pep s VAL 292 CO 0.30 -0.94 1.15 -2.16 0.00 0.00 0.00 175.10 173.45 5pep s PRO 293 N -0.84 3.08 0.18 2.72 0.05 -1.26 -1.59 135.00 137.34 5pep s PRO 293 Ca 0.22 1.65 -0.21 0.00 0.05 0.00 0.00 61.00 62.71 5pep s PRO 293 Cb -0.13 -1.96 0.05 0.00 0.05 0.00 0.00 34.50 32.51 5pep s PRO 293 CO -0.10 -1.08 0.58 0.99 0.05 0.00 0.00 177.00 177.45 5pep s THR 294 N -1.82 0.01 0.29 1.26 2.01 -0.63 -4.91 115.64 111.86 5pep s THR 294 Ca 0.73 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.42 5pep s THR 294 Cb -0.26 -1.27 0.29 0.00 0.01 0.00 0.00 72.50 71.27 5pep s THR 294 CO 0.32 -0.06 1.78 -1.28 -0.69 0.00 0.00 174.62 174.70 5pep h SER 295 N 2.08 0.79 0.04 3.53 0.87 -2.05 -0.10 113.55 118.70 5pep h SER 295 Ca -0.31 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.28 5pep h SER 295 Cb 1.29 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 5pep h SER 295 CO 0.37 0.31 -0.18 0.28 -0.53 0.00 0.00 176.83 177.07 5pep h SER 296 N 0.79 0.27 -0.13 6.23 0.02 -1.99 -3.49 113.55 115.25 5pep h SER 296 Ca 0.55 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 5pep h SER 296 Cb 0.80 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.27 5pep h SER 296 CO -0.36 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.41 5pep n GLY 297 N -0.70 0.94 3.61 -3.77 0.00 -0.05 -5.00 105.19 100.22 5pep n GLY 297 Ca -0.01 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 5pep n GLY 297 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 5pep s GLU 298 N -2.00 3.81 0.26 1.61 2.12 -1.26 -1.60 118.70 121.63 5pep s GLU 298 Ca 0.00 0.71 -0.30 0.00 0.36 0.00 0.00 54.97 55.75 5pep s GLU 298 Cb 0.00 -3.87 -0.09 0.00 0.26 0.00 0.00 34.13 30.43 5pep s GLU 298 CO 0.00 -1.26 1.12 -0.51 -0.54 0.00 0.00 175.26 174.07 5pep s LEU 299 N 4.28 4.53 -0.23 2.70 1.02 -0.62 -4.56 118.68 125.80 5pep s LEU 299 Ca 0.48 2.27 -0.08 0.00 0.02 0.00 0.00 54.13 56.82 5pep s LEU 299 Cb -0.09 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.46 5pep s LEU 299 CO 0.28 -0.20 0.09 0.26 0.02 0.00 0.00 176.35 176.80 5pep s TRP 300 N -0.93 3.18 -0.20 0.29 0.52 -0.73 -4.27 118.94 116.80 5pep s TRP 300 Ca 0.46 -0.10 -0.06 0.00 0.02 0.00 0.00 56.10 56.43 5pep s TRP 300 Cb -0.32 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 5pep s TRP 300 CO 0.41 -0.09 0.02 0.42 0.02 0.00 0.00 176.95 177.72 5pep s ILE 301 N 1.10 4.12 -0.99 2.03 1.01 0.11 -1.16 121.20 127.42 5pep s ILE 301 Ca 0.05 -0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 5pep s ILE 301 Cb -0.14 -2.87 0.15 0.00 0.01 0.00 0.00 42.46 39.61 5pep s ILE 301 CO 0.04 0.42 1.17 -0.76 0.00 0.00 0.00 174.94 175.81 5pep s LEU 302 N 0.96 5.24 0.00 2.97 1.43 0.22 -2.81 118.68 126.68 5pep s LEU 302 Ca 0.02 -2.37 0.00 0.00 -1.03 0.00 0.00 54.13 50.75 5pep s LEU 302 Cb -0.14 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.70 5pep s LEU 302 CO 0.02 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.29 5pep n GLY 303 N 4.95 -1.54 0.33 -3.19 0.00 -1.21 -2.39 105.19 102.14 5pep n GLY 303 Ca 0.26 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.87 5pep n GLY 303 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 5pep h ASP 304 N -0.29 0.00 -0.36 1.61 3.45 -0.62 -1.37 116.42 118.84 5pep h ASP 304 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 5pep h ASP 304 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 5pep h ASP 304 CO 0.00 0.00 0.15 0.58 -1.57 0.00 0.00 179.24 178.40 5pep h VAL 305 N 0.00 1.18 0.01 -1.35 2.07 -1.79 -0.89 116.25 115.49 5pep h VAL 305 Ca 0.07 -0.56 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 5pep h VAL 305 Cb 0.37 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 5pep h VAL 305 CO -0.00 0.20 -0.55 0.15 0.02 0.00 0.00 177.57 177.39 5pep h PHE 306 N 0.44 0.53 -0.24 1.57 3.57 -1.77 -3.32 116.94 117.72 5pep h PHE 306 Ca 0.12 -0.30 -0.05 0.00 3.53 0.00 0.00 57.97 61.28 5pep h PHE 306 Cb 0.17 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 5pep h PHE 306 CO -0.01 1.12 -0.07 0.82 -2.23 0.00 0.00 178.31 177.95 5pep h ILE 307 N -0.21 1.19 -0.10 1.41 2.04 -1.23 -2.74 117.51 117.85 5pep h ILE 307 Ca -0.07 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.04 5pep h ILE 307 Cb 1.28 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 5pep h ILE 307 CO 0.11 0.26 0.08 0.03 0.00 0.00 0.00 178.15 178.62 5pep h ARG 308 N 0.36 0.00 0.00 2.37 3.08 -1.26 -2.40 114.38 116.54 5pep h ARG 308 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 5pep h ARG 308 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 5pep h ARG 308 CO 0.02 0.00 -1.48 1.04 -1.07 0.00 0.00 179.97 178.48 5pep n GLN 309 N -4.30 0.51 -3.85 0.04 1.13 -1.05 -4.81 117.38 105.05 5pep n GLN 309 Ca -0.01 -0.07 -0.25 0.00 -1.94 0.00 0.00 57.00 54.73 5pep n GLN 309 Cb 0.19 -1.61 -0.17 0.00 0.11 0.00 0.00 30.24 28.77 5pep n GLN 309 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 5pep s TYR 310 N -3.37 1.16 -0.14 1.08 1.51 -0.90 -2.04 117.35 114.65 5pep s TYR 310 Ca -0.02 -0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 55.22 5pep s TYR 310 Cb 0.13 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 5pep s TYR 310 CO 0.86 -0.44 1.49 -0.47 -1.11 0.00 0.00 175.55 175.87 5pep s TYR 311 N 1.81 2.35 -0.13 2.71 6.14 0.16 -4.66 117.35 125.73 5pep s TYR 311 Ca 0.05 0.59 -0.04 0.00 0.64 0.00 0.00 57.07 58.31 5pep s TYR 311 Cb -0.12 -3.77 -0.03 0.00 0.42 0.00 0.00 41.96 38.45 5pep s TYR 311 CO -0.07 -2.79 0.00 0.99 0.64 0.00 0.00 175.55 174.32 5pep s THR 312 N 4.06 4.30 -0.16 4.34 2.01 -1.23 -2.35 115.64 126.62 5pep s THR 312 Ca 0.65 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 5pep s THR 312 Cb -0.27 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 5pep s THR 312 CO 0.24 0.53 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.89 5pep s VAL 313 N -0.14 2.96 -0.50 3.82 1.01 0.59 -1.30 120.40 126.85 5pep s VAL 313 Ca 0.05 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 5pep s VAL 313 Cb -0.13 -2.27 0.13 0.00 0.00 0.00 0.00 36.38 34.11 5pep s VAL 313 CO 0.02 0.50 0.36 -0.36 0.00 0.00 0.00 175.10 175.62 5pep s PHE 314 N 0.77 3.47 -0.56 5.22 0.40 -0.26 0.22 117.98 127.24 5pep s PHE 314 Ca -0.05 -2.04 -0.18 0.00 -0.60 0.00 0.00 56.93 54.06 5pep s PHE 314 Cb -0.15 -3.45 0.10 0.00 0.51 0.00 0.00 43.02 40.02 5pep s PHE 314 CO 0.01 -0.98 0.64 0.34 0.70 0.00 0.00 175.22 175.93 5pep s ASP 315 N 2.35 6.19 0.23 1.36 -1.08 -0.39 -2.19 116.67 123.14 5pep s ASP 315 Ca 0.08 -1.40 0.25 0.00 -0.52 0.00 0.00 52.55 50.95 5pep s ASP 315 Cb -0.24 -2.28 0.90 0.00 -1.46 0.00 0.00 42.92 39.84 5pep s ASP 315 CO -0.02 -1.01 1.75 0.54 0.52 0.00 0.00 175.17 176.95 5pep n ARG 316 N 6.05 0.22 0.14 4.34 5.12 -0.32 -1.01 116.66 131.21 5pep n ARG 316 Ca -0.10 0.32 -0.11 0.00 -1.93 0.00 0.00 57.85 56.02 5pep n ARG 316 Cb 0.43 -1.84 -0.07 0.00 -1.16 0.00 0.00 32.46 29.82 5pep n ARG 316 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 5pep h ALA 317 N 2.40 -0.41 -0.41 7.54 0.00 -1.88 -3.34 119.26 123.16 5pep h ALA 317 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 5pep h ALA 317 Cb 0.55 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.50 5pep h ALA 317 CO 0.00 -0.48 0.00 0.09 0.00 0.00 0.00 179.25 178.86 5pep n ASN 318 N -5.08 3.21 -3.86 0.00 5.03 -1.24 -5.00 115.26 108.31 5pep n ASN 318 Ca -0.08 -1.93 -0.39 0.00 0.87 0.00 0.00 54.58 53.05 5pep n ASN 318 Cb 0.26 -0.27 0.03 0.00 -1.02 0.00 0.00 39.78 38.79 5pep n ASN 318 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 5pep n ASN 319 N 1.08 -4.82 -4.12 6.41 3.02 -0.18 -4.90 115.26 111.76 5pep n ASN 319 Ca 0.16 -1.15 -0.09 0.00 -0.03 0.00 0.00 54.58 53.47 5pep n ASN 319 Cb 0.51 -2.61 -0.10 0.00 -0.61 0.00 0.00 39.78 36.96 5pep n ASN 319 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 5pep s LYS 320 N -6.64 0.69 -0.19 3.52 1.02 -0.88 -2.46 119.74 114.80 5pep s LYS 320 Ca 0.49 -1.18 -0.03 0.00 0.02 0.00 0.00 55.97 55.27 5pep s LYS 320 Cb -0.22 -0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.03 5pep s LYS 320 CO 0.91 -0.04 -0.06 0.08 -0.92 0.00 0.00 175.35 175.31 5pep s VAL 321 N -3.34 3.37 -0.11 3.17 1.01 -0.07 -1.26 120.40 123.18 5pep s VAL 321 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 5pep s VAL 321 Cb 0.04 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 5pep s VAL 321 CO -0.06 0.46 0.04 -0.83 0.00 0.00 0.00 175.10 174.71 5pep s GLY 322 N 1.00 1.92 0.13 4.51 0.00 0.13 -0.18 107.32 114.83 5pep s GLY 322 Ca -0.00 -0.76 0.06 0.00 0.00 0.00 0.00 44.72 44.02 5pep s GLY 322 CO -0.00 -0.44 -0.15 1.08 0.00 0.00 0.00 173.10 173.59 5pep s LEU 323 N -0.72 2.41 -0.24 0.66 1.43 0.76 -0.30 118.68 122.68 5pep s LEU 323 Ca 0.12 -0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 52.12 5pep s LEU 323 Cb -0.12 -0.61 0.13 0.00 0.03 0.00 0.00 46.19 45.62 5pep s LEU 323 CO 0.02 -0.12 1.04 0.00 0.23 0.00 0.00 176.35 177.52 5pep s ALA 324 N -2.14 -1.97 0.36 4.21 0.00 -0.99 -0.65 121.76 120.58 5pep s ALA 324 Ca 0.11 1.77 -0.28 0.00 0.00 0.00 0.00 51.96 53.56 5pep s ALA 324 Cb -0.05 -1.22 -0.11 0.00 0.00 0.00 0.00 23.12 21.74 5pep s ALA 324 CO 0.04 -0.25 1.49 -1.25 0.00 0.00 0.00 175.76 175.78 5pep s PRO 325 N -0.21 4.13 0.95 0.00 0.04 -1.26 0.37 135.00 139.02 5pep s PRO 325 Ca 0.02 2.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.48 5pep s PRO 325 Cb -0.04 -2.98 0.16 0.00 0.04 0.00 0.00 34.50 31.68 5pep s PRO 325 CO -0.04 -0.52 1.10 0.14 0.04 0.00 0.00 177.00 177.73 5pep s VAL 326 N -0.97 2.20 -2.12 -0.36 -7.23 -0.87 -0.35 120.40 110.69 5pep s VAL 326 Ca 0.54 0.07 0.17 0.00 -1.81 0.00 0.00 61.98 60.94 5pep s VAL 326 Cb -0.46 -2.64 0.13 0.00 0.56 0.00 0.00 36.38 33.97 5pep s VAL 326 CO 0.60 -0.08 1.04 0.00 -0.31 0.00 0.00 175.10 176.35