#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa6 h LEU 2 N 0.00 0.00 -0.03 4.03 3.38 -2.10 -1.34 115.31 119.25 2pa6 h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pa6 h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2pa6 h LEU 2 CO 0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.55 2pa6 n TYR 3 N -3.89 0.04 1.06 1.13 0.18 -1.26 -1.97 117.16 112.46 2pa6 n TYR 3 Ca -0.03 0.02 0.11 0.00 1.88 0.00 0.00 57.90 59.88 2pa6 n TYR 3 Cb 0.10 -0.53 0.11 0.00 -0.38 0.00 0.00 39.34 38.64 2pa6 n TYR 3 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2pa6 n ASN 4 N -1.54 1.33 -4.74 9.48 3.02 -0.50 -4.91 115.26 117.41 2pa6 n ASN 4 Ca 0.04 -1.07 -0.41 0.00 -0.03 0.00 0.00 54.58 53.11 2pa6 n ASN 4 Cb 0.19 0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 2pa6 n ASN 4 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2pa6 s MET 5 N -2.67 4.39 -0.28 3.52 -1.94 -0.83 -4.99 119.30 116.50 2pa6 s MET 5 Ca 0.17 2.05 -0.02 0.00 -1.71 0.00 0.00 55.69 56.18 2pa6 s MET 5 Cb 0.18 -3.19 0.16 0.00 2.01 0.00 0.00 34.83 33.99 2pa6 s MET 5 CO 0.64 -0.24 0.52 0.34 -0.01 0.00 0.00 175.02 176.27 2pa6 s ASP 6 N 0.30 -0.81 0.57 3.03 -1.08 -1.26 -5.02 116.67 112.40 2pa6 s ASP 6 Ca 0.56 0.73 0.27 0.00 -0.52 0.00 0.00 52.55 53.59 2pa6 s ASP 6 Cb -0.36 1.81 1.56 0.00 -1.46 0.00 0.00 42.92 44.47 2pa6 s ASP 6 CO 0.39 -0.27 2.06 -0.08 0.52 0.00 0.00 175.17 177.79 2pa6 h GLU 7 N 8.07 0.00 -0.22 4.34 4.81 -2.00 -2.36 114.58 127.22 2pa6 h GLU 7 Ca -0.21 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.08 2pa6 h GLU 7 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2pa6 h GLU 7 CO 0.25 0.00 0.19 0.00 -0.73 0.00 0.00 179.01 178.72 2pa6 h ARG 8 N 0.00 0.00 -0.01 1.92 3.08 -1.95 -1.14 114.38 116.28 2pa6 h ARG 8 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2pa6 h ARG 8 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2pa6 h ARG 8 CO -0.00 0.00 -0.08 1.19 -1.07 0.00 0.00 179.97 180.01 2pa6 n PHE 9 N -4.09 0.00 -2.08 3.04 3.72 -0.89 -0.91 117.46 116.25 2pa6 n PHE 9 Ca 0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 2pa6 n PHE 9 Cb 0.33 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 2pa6 n PHE 9 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2pa6 s GLU 10 N -2.23 4.32 -0.15 -1.08 2.02 -0.43 -0.50 118.70 120.65 2pa6 s GLU 10 Ca 0.34 2.23 -0.29 0.00 0.02 0.00 0.00 54.97 57.27 2pa6 s GLU 10 Cb 0.21 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 2pa6 s GLU 10 CO 0.42 -0.31 1.40 0.42 0.02 0.00 0.00 175.26 177.21 2pa6 s ILE 11 N -0.41 4.03 -0.09 -1.63 1.01 -0.16 -0.75 121.20 123.21 2pa6 s ILE 11 Ca 0.55 1.24 -0.09 0.00 0.00 0.00 0.00 60.65 62.35 2pa6 s ILE 11 Cb -0.40 -3.83 -0.28 0.00 0.01 0.00 0.00 42.46 37.95 2pa6 s ILE 11 CO 0.46 -0.15 0.50 0.50 0.00 0.00 0.00 174.94 176.25 2pa6 h LYS 12 N 8.82 0.32 -2.84 2.79 3.64 -1.15 0.25 116.57 128.40 2pa6 h LYS 12 Ca -0.31 -0.55 -0.05 0.00 -1.27 0.00 0.00 60.65 58.47 2pa6 h LYS 12 Cb 1.13 0.21 -0.15 0.00 -0.41 0.00 0.00 32.23 33.00 2pa6 h LYS 12 CO 0.97 1.26 0.05 0.34 -2.27 0.00 0.00 179.45 179.81 2pa6 s ASP 13 N -7.15 -0.44 -0.05 4.20 2.15 -1.01 -4.87 116.67 109.50 2pa6 s ASP 13 Ca -0.20 0.12 -0.03 0.00 0.43 0.00 0.00 52.55 52.87 2pa6 s ASP 13 Cb 0.06 0.50 0.02 0.00 -0.30 0.00 0.00 42.92 43.21 2pa6 s ASP 13 CO 0.81 -0.76 0.11 -0.63 -0.17 0.00 0.00 175.17 174.52 2pa6 s ILE 14 N -2.72 -0.02 -0.02 4.11 1.01 -1.26 -1.80 121.20 120.50 2pa6 s ILE 14 Ca -0.04 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 2pa6 s ILE 14 Cb -0.00 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.31 2pa6 s ILE 14 CO -0.04 0.04 0.03 -0.69 0.00 0.00 0.00 174.94 174.28 2pa6 s VAL 15 N 0.55 -0.03 0.14 2.92 1.01 -0.36 -4.92 120.40 119.71 2pa6 s VAL 15 Ca -0.04 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.15 2pa6 s VAL 15 Cb -0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 2pa6 s VAL 15 CO -0.02 0.05 -0.19 0.00 0.00 0.00 0.00 175.10 174.94 2pa6 s ALA 16 N 0.61 2.65 0.13 5.51 0.00 -1.26 -0.12 121.76 129.28 2pa6 s ALA 16 Ca -0.05 -1.42 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 2pa6 s ALA 16 Cb -0.07 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.48 2pa6 s ALA 16 CO -0.02 0.55 0.29 -0.98 0.00 0.00 0.00 175.76 175.60 2pa6 s ARG 17 N -2.29 1.02 -0.26 0.00 1.70 -0.30 -4.94 118.95 113.89 2pa6 s ARG 17 Ca 0.19 -0.95 -0.13 0.00 -0.47 0.00 0.00 55.73 54.37 2pa6 s ARG 17 Cb -0.10 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 2pa6 s ARG 17 CO 0.10 -0.37 0.29 -2.00 -1.08 0.00 0.00 175.30 172.24 2pa6 s GLU 18 N -3.88 4.03 0.23 3.89 2.12 -1.26 -1.78 118.70 122.06 2pa6 s GLU 18 Ca 0.08 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.33 2pa6 s GLU 18 Cb 0.03 -3.62 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 2pa6 s GLU 18 CO -0.08 -0.15 0.03 1.33 -0.54 0.00 0.00 175.26 175.85 2pa6 n VAL 19 N 4.83 0.00 -4.41 3.70 0.24 -0.57 -4.95 118.33 117.17 2pa6 n VAL 19 Ca -0.11 -1.18 -0.27 0.00 -2.04 0.00 0.00 64.34 60.73 2pa6 n VAL 19 Cb 0.51 0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 33.08 2pa6 n VAL 19 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2pa6 s ILE 20 N -2.08 2.35 0.43 1.34 -4.36 -1.26 -0.54 121.20 117.07 2pa6 s ILE 20 Ca 0.05 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2pa6 s ILE 20 Cb 0.00 -2.10 0.08 0.00 1.25 0.00 0.00 42.46 41.69 2pa6 s ILE 20 CO 0.03 -0.06 0.58 -0.90 0.24 0.00 0.00 174.94 174.84 2pa6 n ASP 21 N 0.45 0.91 0.00 4.36 5.68 0.15 -4.87 116.55 123.23 2pa6 n ASP 21 Ca -0.14 -1.74 0.02 0.00 -0.50 0.00 0.00 54.79 52.43 2pa6 n ASP 21 Cb 0.55 -0.37 0.11 0.00 -1.14 0.00 0.00 41.12 40.27 2pa6 n ASP 21 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2pa6 n SER 22 N -2.87 0.00 -0.25 -1.12 3.41 0.10 -0.96 113.62 111.93 2pa6 n SER 22 Ca 0.10 0.18 0.02 0.00 -0.26 0.00 0.00 58.87 58.91 2pa6 n SER 22 Cb 0.36 -0.25 0.06 0.00 -0.26 0.00 0.00 64.21 64.12 2pa6 n SER 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pa6 n ARG 23 N -1.25 2.93 -0.97 4.33 1.74 -1.26 -4.96 116.66 117.22 2pa6 n ARG 23 Ca 0.02 -1.73 0.00 0.00 -0.77 0.00 0.00 57.85 55.37 2pa6 n ARG 23 Cb 0.03 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 2pa6 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pa6 n GLY 24 N -0.13 0.53 3.89 -0.13 0.00 -0.14 -5.04 105.19 104.18 2pa6 n GLY 24 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2pa6 n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pa6 s ASN 25 N -2.04 6.50 0.70 1.61 0.02 -1.26 -4.76 114.94 115.70 2pa6 s ASN 25 Ca 0.00 0.57 -0.16 0.00 -1.02 0.00 0.00 52.86 52.25 2pa6 s ASN 25 Cb 0.00 -2.09 0.02 0.00 0.02 0.00 0.00 41.25 39.20 2pa6 s ASN 25 CO 0.00 0.12 1.20 -2.84 0.02 0.00 0.00 177.10 175.61 2pa6 s PRO 26 N -2.36 2.36 0.27 -0.60 0.02 -1.26 0.31 135.00 133.74 2pa6 s PRO 26 Ca 0.37 1.76 -0.20 0.00 0.02 0.00 0.00 61.00 62.94 2pa6 s PRO 26 Cb -0.13 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.55 2pa6 s PRO 26 CO 0.22 -1.67 0.69 -0.08 -0.33 0.00 0.00 177.00 175.84 2pa6 s THR 27 N -1.91 0.00 -0.14 0.99 -1.32 0.30 -4.72 115.64 108.84 2pa6 s THR 27 Ca 0.75 -1.02 -0.10 0.00 -1.21 0.00 0.00 61.69 60.11 2pa6 s THR 27 Cb -0.29 -2.00 -0.05 0.00 -1.51 0.00 0.00 72.50 68.66 2pa6 s THR 27 CO 0.43 -0.00 0.19 -0.69 -2.21 0.00 0.00 174.62 172.33 2pa6 s VAL 28 N -3.93 5.40 -0.04 5.08 1.01 -1.26 -1.51 120.40 125.14 2pa6 s VAL 28 Ca 0.12 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.48 2pa6 s VAL 28 Cb -0.05 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2pa6 s VAL 28 CO 0.07 0.53 -0.22 -0.70 0.00 0.00 0.00 175.10 174.77 2pa6 s GLU 29 N -0.38 2.12 -0.02 2.72 2.12 -0.73 -1.82 118.70 122.71 2pa6 s GLU 29 Ca 0.14 -0.79 0.04 0.00 0.36 0.00 0.00 54.97 54.72 2pa6 s GLU 29 Cb -0.12 -1.87 -0.00 0.00 0.26 0.00 0.00 34.13 32.39 2pa6 s GLU 29 CO 0.03 0.37 -0.13 0.08 -0.54 0.00 0.00 175.26 175.07 2pa6 s VAL 30 N -0.20 1.07 -0.04 3.70 1.01 0.08 -1.14 120.40 124.89 2pa6 s VAL 30 Ca -0.00 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2pa6 s VAL 30 Cb -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2pa6 s VAL 30 CO 0.02 0.31 -0.13 -1.61 0.00 0.00 0.00 175.10 173.70 2pa6 s GLU 31 N -0.08 2.50 -0.01 2.72 2.02 0.83 -1.40 118.70 125.29 2pa6 s GLU 31 Ca 0.01 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2pa6 s GLU 31 Cb -0.08 -2.40 0.01 0.00 0.10 0.00 0.00 34.13 31.76 2pa6 s GLU 31 CO 0.00 0.62 -0.00 0.08 0.02 0.00 0.00 175.26 175.98 2pa6 s VAL 32 N -0.79 0.09 -0.00 2.63 1.01 0.42 -1.22 120.40 122.54 2pa6 s VAL 32 Ca 0.13 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.14 2pa6 s VAL 32 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2pa6 s VAL 32 CO 0.02 0.06 -0.07 -0.51 0.00 0.00 0.00 175.10 174.60 2pa6 s ILE 33 N 0.32 0.54 0.48 2.22 2.07 -0.74 -0.76 121.20 125.33 2pa6 s ILE 33 Ca -0.03 -0.35 0.06 0.00 -1.41 0.00 0.00 60.65 58.92 2pa6 s ILE 33 Cb -0.05 -0.47 0.03 0.00 0.13 0.00 0.00 42.46 42.10 2pa6 s ILE 33 CO -0.01 0.12 0.67 0.42 -1.91 0.00 0.00 174.94 174.23 2pa6 s THR 34 N -0.24 2.79 0.45 4.00 -4.23 -0.47 -0.68 115.64 117.25 2pa6 s THR 34 Ca 0.02 -0.88 0.22 0.00 -1.18 0.00 0.00 61.69 59.87 2pa6 s THR 34 Cb -0.03 -2.91 0.25 0.00 1.34 0.00 0.00 72.50 71.15 2pa6 s THR 34 CO -0.00 0.00 2.05 0.11 -0.54 0.00 0.00 174.62 176.24 2pa6 h LYS 35 N 0.38 0.00 -0.22 3.99 1.57 -0.87 0.21 116.57 121.63 2pa6 h LYS 35 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2pa6 h LYS 35 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2pa6 h LYS 35 CO 0.47 0.14 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 2pa6 n GLY 36 N -0.88 -0.08 2.27 3.86 0.00 -0.09 -4.87 105.19 105.39 2pa6 n GLY 36 Ca -0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 2pa6 n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pa6 n ASN 37 N -0.00 -4.20 -4.65 1.61 3.02 0.06 -4.97 115.26 106.13 2pa6 n ASN 37 Ca 0.06 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 2pa6 n ASN 37 Cb 0.16 -3.34 -0.04 0.00 -0.61 0.00 0.00 39.78 35.95 2pa6 n ASN 37 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2pa6 s GLY 38 N -2.43 1.86 -0.11 7.41 0.00 -1.25 -4.82 107.32 107.97 2pa6 s GLY 38 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.63 2pa6 s GLY 38 CO 0.00 1.80 0.02 -0.47 0.00 0.00 0.00 173.10 174.45 2pa6 s TYR 39 N 2.66 3.21 -0.00 1.90 5.04 -1.26 -1.37 117.35 127.52 2pa6 s TYR 39 Ca 0.37 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 2pa6 s TYR 39 Cb -0.16 -1.87 -0.00 0.00 0.35 0.00 0.00 41.96 40.29 2pa6 s TYR 39 CO 0.09 0.40 -0.01 0.20 -1.34 0.00 0.00 175.55 174.88 2pa6 s GLY 40 N -0.58 0.05 -0.04 8.97 0.00 0.06 -4.23 107.32 111.55 2pa6 s GLY 40 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.75 2pa6 s GLY 40 CO 0.02 -0.03 0.10 -0.45 0.00 0.00 0.00 173.10 172.74 2pa6 s SER 41 N -0.02 -0.08 -0.01 1.64 0.15 -1.26 -0.43 113.70 113.68 2pa6 s SER 41 Ca 0.00 0.19 -0.09 0.00 0.70 0.00 0.00 55.95 56.76 2pa6 s SER 41 Cb -0.00 0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2pa6 s SER 41 CO -0.00 -0.06 0.18 0.00 1.20 0.00 0.00 173.24 174.56 2pa6 s ALA 42 N 0.35 -0.44 -0.06 5.45 0.00 -0.49 -4.84 121.76 121.72 2pa6 s ALA 42 Ca -0.02 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.04 2pa6 s ALA 42 Cb -0.04 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 2pa6 s ALA 42 CO -0.01 -0.20 -0.19 0.42 0.00 0.00 0.00 175.76 175.77 2pa6 s ILE 43 N -1.16 1.63 0.12 0.00 1.01 -1.26 -0.74 121.20 120.80 2pa6 s ILE 43 Ca -0.12 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 2pa6 s ILE 43 Cb -0.06 -1.40 -0.06 0.00 0.01 0.00 0.00 42.46 40.95 2pa6 s ILE 43 CO 0.02 0.46 0.42 0.68 0.00 0.00 0.00 174.94 176.52 2pa6 s VAL 44 N 0.10 5.08 0.93 2.92 -7.23 -0.75 -4.78 120.40 116.67 2pa6 s VAL 44 Ca -0.07 0.37 -0.14 0.00 -1.81 0.00 0.00 61.98 60.33 2pa6 s VAL 44 Cb -0.13 -3.64 0.15 0.00 0.56 0.00 0.00 36.38 33.32 2pa6 s VAL 44 CO 0.04 0.18 1.18 -2.16 -0.31 0.00 0.00 175.10 174.03 2pa6 s PRO 45 N -2.21 1.00 0.50 4.82 0.04 -1.26 -4.50 135.00 133.39 2pa6 s PRO 45 Ca 0.37 0.07 -0.18 0.00 0.04 0.00 0.00 61.00 61.29 2pa6 s PRO 45 Cb -0.13 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 2pa6 s PRO 45 CO 0.20 -2.25 1.00 -1.12 0.04 0.00 0.00 177.00 174.87 2pa6 s SER 46 N -4.32 6.49 0.00 6.66 0.01 0.08 -4.96 113.70 117.66 2pa6 s SER 46 Ca 0.66 1.73 0.00 0.00 1.31 0.00 0.00 55.95 59.65 2pa6 s SER 46 Cb -0.11 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2pa6 s SER 46 CO 0.52 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2pa6 n GLY 47 N -0.90 5.16 3.16 3.44 0.00 -1.26 -4.63 105.19 110.16 2pa6 n GLY 47 Ca 0.08 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 2pa6 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa6 s ALA 48 N -2.00 1.50 -2.23 4.61 0.00 -1.26 -4.99 121.76 117.39 2pa6 s ALA 48 Ca 0.00 -0.75 0.22 0.00 0.00 0.00 0.00 51.96 51.43 2pa6 s ALA 48 Cb 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.75 2pa6 s ALA 48 CO 0.00 0.35 1.11 -1.13 0.00 0.00 0.00 175.76 176.09 2pa6 n SER 49 N 2.76 2.25 -3.78 0.00 3.41 -1.26 -0.38 113.62 116.62 2pa6 n SER 49 Ca -0.16 -1.63 -0.13 0.00 -0.26 0.00 0.00 58.87 56.70 2pa6 n SER 49 Cb 0.54 0.35 -0.14 0.00 -0.26 0.00 0.00 64.21 64.70 2pa6 n SER 49 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pa6 s THR 50 N -2.29 -0.03 0.00 6.66 -1.32 -1.26 -4.65 115.64 112.75 2pa6 s THR 50 Ca 0.20 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 2pa6 s THR 50 Cb 0.18 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.96 2pa6 s THR 50 CO 0.49 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.55 2pa6 n GLY 51 N 3.76 1.36 0.14 6.08 0.00 -1.26 -5.07 105.19 110.20 2pa6 n GLY 51 Ca -0.21 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.35 2pa6 n GLY 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pa6 h THR 52 N 0.72 1.18 0.00 2.61 1.35 -2.01 -3.42 112.91 113.35 2pa6 h THR 52 Ca 0.00 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.63 2pa6 h THR 52 Cb 0.00 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2pa6 h THR 52 CO 0.00 0.58 -0.17 1.41 -0.25 0.00 0.00 175.52 177.09 2pa6 n HIS 53 N -3.47 0.00 -2.05 4.73 8.25 -1.26 -5.11 115.22 116.31 2pa6 n HIS 53 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 2pa6 n HIS 53 Cb 0.68 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.85 2pa6 n HIS 53 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2pa6 s GLU 54 N -0.35 2.56 0.35 -0.41 -1.05 -1.26 -4.90 118.70 113.64 2pa6 s GLU 54 Ca 0.00 0.16 -0.27 0.00 -0.15 0.00 0.00 54.97 54.71 2pa6 s GLU 54 Cb 0.00 -2.08 -0.09 0.00 -0.44 0.00 0.00 34.13 31.51 2pa6 s GLU 54 CO 0.00 -1.12 1.21 0.00 0.95 0.00 0.00 175.26 176.29 2pa6 s ALA 55 N -3.31 3.33 -0.14 -0.84 0.00 0.12 -4.86 121.76 116.06 2pa6 s ALA 55 Ca 0.58 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 53.57 2pa6 s ALA 55 Cb -0.11 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2pa6 s ALA 55 CO 0.49 -0.50 -0.01 -0.51 0.00 0.00 0.00 175.76 175.23 2pa6 s LEU 56 N -2.01 3.43 0.65 0.00 1.43 -0.21 -4.75 118.68 117.22 2pa6 s LEU 56 Ca 0.51 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 2pa6 s LEU 56 Cb -0.34 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2pa6 s LEU 56 CO 0.45 0.22 1.08 -1.61 0.23 0.00 0.00 176.35 176.72 2pa6 s GLU 57 N 0.04 2.96 -0.26 1.70 2.02 0.49 -0.61 118.70 125.03 2pa6 s GLU 57 Ca 0.02 1.25 -0.09 0.00 0.02 0.00 0.00 54.97 56.18 2pa6 s GLU 57 Cb -0.13 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 2pa6 s GLU 57 CO 0.02 -1.11 0.11 -1.17 0.02 0.00 0.00 175.26 173.13 2pa6 s LEU 58 N -4.90 3.64 0.03 1.80 2.96 -1.26 -4.25 118.68 116.70 2pa6 s LEU 58 Ca 0.64 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 2pa6 s LEU 58 Cb -0.18 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2pa6 s LEU 58 CO 0.42 -0.05 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.15 2pa6 s ARG 59 N 1.66 2.28 0.30 1.98 1.81 -1.26 -4.57 118.95 121.14 2pa6 s ARG 59 Ca 0.06 -0.88 0.07 0.00 -1.72 0.00 0.00 55.73 53.27 2pa6 s ARG 59 Cb -0.15 -2.33 0.46 0.00 -0.45 0.00 0.00 34.95 32.48 2pa6 s ARG 59 CO 0.06 0.56 1.70 -0.44 -0.68 0.00 0.00 175.30 176.50 2pa6 h ASP 60 N 4.44 0.20 -6.15 0.23 3.32 -0.74 -3.48 116.42 114.25 2pa6 h ASP 60 Ca -0.48 -0.09 -0.44 0.00 0.02 0.00 0.00 57.03 56.04 2pa6 h ASP 60 Cb 1.16 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.68 2pa6 h ASP 60 CO 0.51 0.62 -0.77 0.29 -1.72 0.00 0.00 179.24 178.17 2pa6 n LYS 61 N -4.01 -5.79 -3.77 3.56 4.76 -0.26 -4.99 118.16 107.67 2pa6 n LYS 61 Ca -0.02 0.65 -0.26 0.00 -2.87 0.00 0.00 58.31 55.82 2pa6 n LYS 61 Cb 0.49 -5.48 0.01 0.00 -1.84 0.00 0.00 35.03 28.20 2pa6 n LYS 61 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2pa6 s GLU 62 N -6.34 2.24 0.18 1.97 2.02 -1.26 -4.89 118.70 112.62 2pa6 s GLU 62 Ca 0.44 -2.00 -0.14 0.00 0.02 0.00 0.00 54.97 53.30 2pa6 s GLU 62 Cb -0.22 -2.17 0.08 0.00 0.10 0.00 0.00 34.13 31.93 2pa6 s GLU 62 CO 0.81 -0.70 1.83 -0.22 0.02 0.00 0.00 175.26 177.00 2pa6 h LYS 63 N 0.63 0.64 -7.02 1.61 3.64 -1.95 -1.44 116.57 112.68 2pa6 h LYS 63 Ca -0.35 -0.04 -0.54 0.00 -1.27 0.00 0.00 60.65 58.45 2pa6 h LYS 63 Cb 1.30 -0.15 0.12 0.00 -0.41 0.00 0.00 32.23 33.10 2pa6 h LYS 63 CO 0.54 0.43 0.64 -0.98 -2.27 0.00 0.00 179.45 177.81 2pa6 s ARG 64 N -6.15 3.44 -1.41 1.90 1.70 -1.26 -3.05 118.95 114.13 2pa6 s ARG 64 Ca -0.13 2.28 -0.05 0.00 -0.47 0.00 0.00 55.73 57.35 2pa6 s ARG 64 Cb 0.13 -2.45 0.03 0.00 -0.57 0.00 0.00 34.95 32.08 2pa6 s ARG 64 CO 0.74 -0.96 0.43 1.19 -1.08 0.00 0.00 175.30 175.62 2pa6 n PHE 65 N -0.60 -1.75 -2.60 5.89 3.72 -1.26 -1.51 117.46 119.35 2pa6 n PHE 65 Ca 0.08 0.39 -0.20 0.00 -0.05 0.00 0.00 57.45 57.67 2pa6 n PHE 65 Cb 0.44 -3.67 0.00 0.00 -0.94 0.00 0.00 39.48 35.31 2pa6 n PHE 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pa6 n GLY 66 N -1.26 -0.50 2.07 1.37 0.00 -1.17 -1.34 105.19 104.35 2pa6 n GLY 66 Ca -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 2pa6 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa6 n GLY 67 N -1.09 0.47 1.30 -0.02 0.00 -0.54 -4.93 105.19 100.37 2pa6 n GLY 67 Ca -0.19 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.73 2pa6 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pa6 n LYS 68 N -2.76 3.69 -1.45 1.61 5.02 -0.45 -1.10 118.16 122.73 2pa6 n LYS 68 Ca -0.00 -2.90 -0.33 0.00 -2.02 0.00 0.00 58.31 53.06 2pa6 n LYS 68 Cb 0.04 -1.95 0.08 0.00 -0.02 0.00 0.00 35.03 33.18 2pa6 n LYS 68 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2pa6 s GLY 69 N -1.35 2.06 -0.16 0.72 0.00 -1.26 -4.23 107.32 103.10 2pa6 s GLY 69 Ca 0.46 0.59 0.15 0.00 0.00 0.00 0.00 44.72 45.91 2pa6 s GLY 69 CO 0.14 0.96 1.21 3.33 0.00 0.00 0.00 173.10 178.74 2pa6 n VAL 70 N -2.93 1.68 -0.01 1.40 0.24 -1.26 -0.20 118.33 117.24 2pa6 n VAL 70 Ca 0.11 -2.72 0.01 0.00 -2.04 0.00 0.00 64.34 59.70 2pa6 n VAL 70 Cb 0.52 0.05 0.34 0.00 -1.47 0.00 0.00 33.84 33.28 2pa6 n VAL 70 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2pa6 h LEU 71 N 1.04 0.50 -0.32 1.34 3.38 -1.93 -0.64 115.31 118.68 2pa6 h LEU 71 Ca -0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2pa6 h LEU 71 Cb 1.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2pa6 h LEU 71 CO 0.04 0.49 -0.05 0.24 0.09 0.00 0.00 178.44 179.25 2pa6 h MET 72 N 0.55 0.61 -0.67 1.13 2.86 -1.91 0.45 114.93 117.95 2pa6 h MET 72 Ca 0.13 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2pa6 h MET 72 Cb 0.17 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2pa6 h MET 72 CO -0.01 0.77 0.30 0.00 1.06 0.00 0.00 176.91 179.04 2pa6 h ALA 73 N 0.81 0.87 -0.62 6.32 0.00 -1.71 0.46 119.26 125.39 2pa6 h ALA 73 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2pa6 h ALA 73 Cb 0.54 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2pa6 h ALA 73 CO 0.03 0.45 0.34 0.28 0.00 0.00 0.00 179.25 180.34 2pa6 h VAL 74 N 0.93 1.20 -0.31 0.00 2.07 -0.92 -1.89 116.25 117.33 2pa6 h VAL 74 Ca 0.23 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2pa6 h VAL 74 Cb 0.15 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2pa6 h VAL 74 CO -0.03 0.22 -0.14 -0.08 0.02 0.00 0.00 177.57 177.56 2pa6 h GLU 75 N 0.84 0.54 -0.79 1.57 4.57 -0.48 -1.39 114.58 119.45 2pa6 h GLU 75 Ca 0.22 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2pa6 h GLU 75 Cb 0.04 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 2pa6 h GLU 75 CO -0.03 0.67 0.40 -0.91 -1.18 0.00 0.00 179.01 177.96 2pa6 h ASN 76 N 0.50 1.01 0.12 1.04 2.35 -0.23 0.24 115.58 120.60 2pa6 h ASN 76 Ca 0.09 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2pa6 h ASN 76 Cb 0.53 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2pa6 h ASN 76 CO 0.03 0.83 -0.06 0.58 -1.65 0.00 0.00 177.43 177.17 2pa6 h VAL 77 N 1.11 1.06 -0.29 2.81 2.07 -0.84 0.45 116.25 122.63 2pa6 h VAL 77 Ca 0.28 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 2pa6 h VAL 77 Cb 0.08 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2pa6 h VAL 77 CO -0.04 0.20 -0.16 0.78 0.02 0.00 0.00 177.57 178.37 2pa6 h ASN 78 N -0.57 0.50 0.00 0.57 2.35 -1.07 -0.72 115.58 116.64 2pa6 h ASN 78 Ca -0.02 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.49 2pa6 h ASN 78 Cb 0.45 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2pa6 h ASN 78 CO 0.03 0.68 -1.69 -1.20 -1.65 0.00 0.00 177.43 173.60 2pa6 n SER 79 N -4.18 2.07 -0.10 5.81 7.64 0.82 -4.56 113.62 121.13 2pa6 n SER 79 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 2pa6 n SER 79 Cb 0.35 1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 64.70 2pa6 n SER 79 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2pa6 n ILE 80 N -2.17 1.10 -0.03 0.44 2.08 -0.25 -4.64 119.36 115.89 2pa6 n ILE 80 Ca -0.10 -0.25 -0.15 0.00 0.56 0.00 0.00 62.75 62.81 2pa6 n ILE 80 Cb 0.59 -1.79 -0.11 0.00 -0.75 0.00 0.00 39.64 37.58 2pa6 n ILE 80 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2pa6 h ILE 81 N -0.71 1.53 -0.68 1.39 2.04 -1.03 -3.37 117.51 116.69 2pa6 h ILE 81 Ca -0.48 -1.86 0.10 0.00 1.00 0.00 0.00 64.86 63.62 2pa6 h ILE 81 Cb 1.40 2.69 -0.11 0.00 -0.74 0.00 0.00 36.82 40.06 2pa6 h ILE 81 CO -0.29 0.51 -0.45 -0.09 0.00 0.00 0.00 178.15 177.83 2pa6 h ARG 82 N -0.49 -0.17 0.00 2.37 2.43 -1.35 -0.53 114.38 116.64 2pa6 h ARG 82 Ca -0.02 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2pa6 h ARG 82 Cb 0.94 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2pa6 h ARG 82 CO 0.04 -0.11 -0.01 -1.00 -1.51 0.00 0.00 179.97 177.38 2pa6 h PRO 83 N -0.18 0.00 0.00 0.20 0.13 -1.82 -1.10 132.00 129.23 2pa6 h PRO 83 Ca 0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.31 2pa6 h PRO 83 Cb 0.55 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 2pa6 h PRO 83 CO -0.75 0.01 -0.09 0.93 -0.23 0.00 0.00 178.00 177.86 2pa6 h GLU 84 N 0.00 0.00 -0.00 0.86 4.39 -1.25 -3.34 114.58 115.23 2pa6 h GLU 84 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2pa6 h GLU 84 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2pa6 h GLU 84 CO 0.00 0.09 0.00 0.44 -1.16 0.00 0.00 179.01 178.38 2pa6 n ILE 85 N -3.12 0.08 -1.85 3.13 -5.35 -0.84 -4.94 119.36 106.47 2pa6 n ILE 85 Ca 0.03 -0.54 -0.41 0.00 -0.27 0.00 0.00 62.75 61.56 2pa6 n ILE 85 Cb 0.56 0.98 -0.02 0.00 -1.74 0.00 0.00 39.64 39.42 2pa6 n ILE 85 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2pa6 s LEU 86 N -0.17 4.36 0.00 7.28 1.43 -0.48 -1.59 118.68 129.50 2pa6 s LEU 86 Ca 0.01 2.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 2pa6 s LEU 86 Cb 0.01 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2pa6 s LEU 86 CO 0.01 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.36 2pa6 n GLY 87 N 2.09 1.81 3.80 -3.19 0.00 0.87 -4.92 105.19 105.65 2pa6 n GLY 87 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2pa6 n GLY 87 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pa6 s TYR 88 N -3.27 3.05 -0.32 1.61 6.14 -0.62 -4.34 117.35 119.60 2pa6 s TYR 88 Ca 0.00 1.59 -0.28 0.00 0.64 0.00 0.00 57.07 59.01 2pa6 s TYR 88 Cb 0.00 -3.05 -0.02 0.00 0.42 0.00 0.00 41.96 39.31 2pa6 s TYR 88 CO 0.00 -0.74 1.84 0.34 0.64 0.00 0.00 175.55 177.63 2pa6 s ASP 89 N -1.96 5.85 0.60 4.32 -1.08 -1.26 -0.99 116.67 122.15 2pa6 s ASP 89 Ca 0.66 1.37 0.38 0.00 -0.52 0.00 0.00 52.55 54.43 2pa6 s ASP 89 Cb -0.16 -2.52 2.05 0.00 -1.46 0.00 0.00 42.92 40.82 2pa6 s ASP 89 CO 0.20 -1.73 2.15 0.00 0.52 0.00 0.00 175.17 176.30 2pa6 h ALA 90 N 13.10 1.06 0.00 3.66 0.00 -1.13 -0.88 119.26 135.07 2pa6 h ALA 90 Ca -0.34 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2pa6 h ALA 90 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pa6 h ALA 90 CO 1.02 -0.06 -0.07 0.00 0.00 0.00 0.00 179.25 180.14 2pa6 h ARG 91 N 0.00 0.00 -2.98 0.00 3.08 -1.89 -3.35 114.38 109.24 2pa6 h ARG 91 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 2pa6 h ARG 91 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2pa6 h ARG 91 CO 0.00 0.07 3.58 -1.33 -1.07 0.00 0.00 179.97 181.22 2pa6 n MET 92 N -3.16 3.83 -0.03 0.04 2.81 -0.34 -4.75 117.12 115.52 2pa6 n MET 92 Ca 0.01 -2.44 -0.09 0.00 -1.81 0.00 0.00 57.70 53.37 2pa6 n MET 92 Cb 0.41 -2.79 -0.02 0.00 -0.71 0.00 0.00 33.22 30.10 2pa6 n MET 92 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 2pa6 h GLN 93 N 4.98 -0.26 -0.60 0.03 5.75 -1.83 -1.08 115.11 122.10 2pa6 h GLN 93 Ca 0.83 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 59.34 2pa6 h GLN 93 Cb 0.30 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 2pa6 h GLN 93 CO 1.74 -0.18 0.33 0.00 -2.65 0.00 0.00 178.83 178.07 2pa6 h ARG 94 N -0.27 0.82 -0.47 1.69 3.08 -1.96 0.28 114.38 117.55 2pa6 h ARG 94 Ca 0.12 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2pa6 h ARG 94 Cb 0.46 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2pa6 h ARG 94 CO -0.36 0.60 -0.13 0.93 -1.07 0.00 0.00 179.97 179.95 2pa6 h GLU 95 N 0.83 0.92 -0.41 0.04 5.08 -1.80 -0.84 114.58 118.39 2pa6 h GLU 95 Ca 0.21 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 2pa6 h GLU 95 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2pa6 h GLU 95 CO -0.04 1.01 -0.26 0.82 -1.00 0.00 0.00 179.01 179.55 2pa6 h ILE 96 N 0.76 1.28 -0.71 3.13 2.04 -0.76 -0.65 117.51 122.60 2pa6 h ILE 96 Ca 0.12 -1.41 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 2pa6 h ILE 96 Cb 0.68 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2pa6 h ILE 96 CO 0.05 0.48 0.20 0.44 0.00 0.00 0.00 178.15 179.31 2pa6 h ASP 97 N 0.72 1.05 -0.60 1.72 3.32 -0.88 -2.25 116.42 119.50 2pa6 h ASP 97 Ca 0.08 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 2pa6 h ASP 97 Cb 0.83 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2pa6 h ASP 97 CO 0.07 0.99 -0.00 0.74 -1.72 0.00 0.00 179.24 179.31 2pa6 h THR 98 N 1.06 1.27 -0.73 0.35 2.02 -0.96 -0.53 112.91 115.39 2pa6 h THR 98 Ca 0.23 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.26 2pa6 h THR 98 Cb 0.33 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2pa6 h THR 98 CO -0.00 0.42 0.48 0.40 0.37 0.00 0.00 175.52 177.19 2pa6 h ILE 99 N 0.98 1.18 -0.33 3.11 2.04 -0.84 0.35 117.51 124.00 2pa6 h ILE 99 Ca 0.17 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 2pa6 h ILE 99 Cb 0.56 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2pa6 h ILE 99 CO 0.03 0.18 -0.12 0.24 0.00 0.00 0.00 178.15 178.48 2pa6 h MET 100 N 0.99 0.67 -0.57 2.37 2.86 -1.12 0.12 114.93 120.25 2pa6 h MET 100 Ca 0.27 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2pa6 h MET 100 Cb -0.10 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2pa6 h MET 100 CO -0.06 0.86 0.36 0.82 1.06 0.00 0.00 176.91 179.95 2pa6 h ILE 101 N 0.44 1.10 -0.18 -1.22 2.04 -0.78 -1.35 117.51 117.57 2pa6 h ILE 101 Ca 0.08 -0.25 -0.17 0.00 1.00 0.00 0.00 64.86 65.52 2pa6 h ILE 101 Cb 0.64 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2pa6 h ILE 101 CO 0.04 0.13 -0.61 -0.33 0.00 0.00 0.00 178.15 177.39 2pa6 h GLU 102 N 0.73 0.59 -0.72 2.37 5.08 -0.86 -2.36 114.58 119.41 2pa6 h GLU 102 Ca 0.22 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2pa6 h GLU 102 Cb -0.03 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2pa6 h GLU 102 CO -0.07 1.02 0.39 1.25 -1.00 0.00 0.00 179.01 180.60 2pa6 h LEU 103 N 0.44 0.90 0.11 1.33 5.85 -0.70 -2.63 115.31 120.61 2pa6 h LEU 103 Ca -0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2pa6 h LEU 103 Cb 1.17 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2pa6 h LEU 103 CO 0.12 0.73 -0.05 -0.78 -0.34 0.00 0.00 178.44 178.12 2pa6 h ASP 104 N 0.99 -0.12 0.00 1.25 1.82 -1.19 -3.47 116.42 115.70 2pa6 h ASP 104 Ca 0.25 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2pa6 h ASP 104 Cb 0.04 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.08 2pa6 h ASP 104 CO -0.04 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.21 2pa6 n GLY 105 N -0.88 2.53 3.75 -0.78 0.00 -0.90 -4.77 105.19 104.14 2pa6 n GLY 105 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2pa6 n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pa6 s THR 106 N -2.21 4.35 0.31 2.61 -4.23 -1.26 -5.03 115.64 110.18 2pa6 s THR 106 Ca 0.00 -0.88 -0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2pa6 s THR 106 Cb 0.00 -3.10 0.27 0.00 1.34 0.00 0.00 72.50 71.01 2pa6 s THR 106 CO 0.00 0.09 1.95 -0.65 -0.54 0.00 0.00 174.62 175.48 2pa6 h PRO 107 N 3.24 1.01 -0.59 3.99 0.11 -1.96 -2.94 132.00 134.87 2pa6 h PRO 107 Ca -0.47 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 2pa6 h PRO 107 Cb 1.17 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 2pa6 h PRO 107 CO 0.63 0.67 0.07 0.27 -0.21 0.00 0.00 178.00 179.43 2pa6 n ASN 108 N -4.44 5.34 -2.57 -2.05 6.94 -1.26 -4.94 115.26 112.27 2pa6 n ASN 108 Ca 0.11 -3.03 -0.15 0.00 -0.02 0.00 0.00 54.58 51.49 2pa6 n ASN 108 Cb 0.10 -0.69 -0.00 0.00 -2.36 0.00 0.00 39.78 36.83 2pa6 n ASN 108 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2pa6 n LYS 109 N 0.30 -2.45 0.24 -3.83 5.02 -1.11 -1.04 118.16 115.29 2pa6 n LYS 109 Ca 0.31 0.66 0.15 0.00 -2.02 0.00 0.00 58.31 57.41 2pa6 n LYS 109 Cb 1.22 -5.30 0.53 0.00 -0.02 0.00 0.00 35.03 31.47 2pa6 n LYS 109 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2pa6 h SER 110 N -0.19 0.00 0.08 4.39 4.64 -1.84 -1.20 113.55 119.43 2pa6 h SER 110 Ca -0.35 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2pa6 h SER 110 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2pa6 h SER 110 CO 0.41 0.00 -0.04 -0.09 -0.87 0.00 0.00 176.83 176.24 2pa6 h ARG 111 N 0.00 -0.10 0.00 4.77 2.43 -1.89 -3.38 114.38 116.21 2pa6 h ARG 111 Ca 0.00 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 2pa6 h ARG 111 Cb 0.61 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2pa6 h ARG 111 CO 0.00 0.31 -1.29 -0.07 -1.51 0.00 0.00 179.97 177.41 2pa6 h LEU 112 N -0.97 0.00 0.00 3.80 3.38 -1.87 -3.50 115.31 116.15 2pa6 h LEU 112 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pa6 h LEU 112 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2pa6 h LEU 112 CO 0.02 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.62 2pa6 n GLY 113 N 1.34 2.16 0.24 0.83 0.00 -0.47 -4.53 105.19 104.77 2pa6 n GLY 113 Ca -0.07 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.70 2pa6 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa6 h ALA 114 N 0.00 1.57 -0.27 4.61 0.00 -0.72 -1.53 119.26 122.92 2pa6 h ALA 114 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 2pa6 h ALA 114 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2pa6 h ALA 114 CO 0.00 0.19 -0.56 -2.95 0.00 0.00 0.00 179.25 175.93 2pa6 h ASN 115 N 0.00 0.95 -0.17 0.00 -1.07 -1.89 -0.47 115.58 112.93 2pa6 h ASN 115 Ca -0.00 -0.52 -0.04 0.00 0.07 0.00 0.00 56.30 55.81 2pa6 h ASN 115 Cb 0.30 -0.27 -0.01 0.00 -2.07 0.00 0.00 38.32 36.28 2pa6 h ASN 115 CO 0.02 1.31 -0.05 0.00 0.07 0.00 0.00 177.43 178.78 2pa6 h ALA 116 N 0.70 0.23 -0.18 4.14 0.00 -1.65 -2.43 119.26 120.07 2pa6 h ALA 116 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2pa6 h ALA 116 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2pa6 h ALA 116 CO 0.12 0.00 0.05 0.82 0.00 0.00 0.00 179.25 180.25 2pa6 h ILE 117 N 0.03 1.20 -0.72 0.00 2.04 -1.30 -2.86 117.51 115.90 2pa6 h ILE 117 Ca 0.04 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 2pa6 h ILE 117 Cb 0.49 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2pa6 h ILE 117 CO 0.02 0.19 0.29 0.25 0.00 0.00 0.00 178.15 178.90 2pa6 h LEU 118 N 0.11 0.99 -0.68 1.44 5.85 -0.72 -1.05 115.31 121.24 2pa6 h LEU 118 Ca 0.06 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.67 2pa6 h LEU 118 Cb 0.25 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2pa6 h LEU 118 CO -0.00 0.88 0.38 0.00 -0.34 0.00 0.00 178.44 179.36 2pa6 h ALA 119 N 1.14 0.91 -0.36 1.25 0.00 -1.38 0.07 119.26 120.89 2pa6 h ALA 119 Ca 0.24 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2pa6 h ALA 119 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2pa6 h ALA 119 CO -0.02 0.06 -0.07 0.28 0.00 0.00 0.00 179.25 179.50 2pa6 h VAL 120 N 0.70 1.28 -0.50 0.00 2.07 -1.26 -1.94 116.25 116.60 2pa6 h VAL 120 Ca 0.30 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.74 2pa6 h VAL 120 Cb 0.18 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2pa6 h VAL 120 CO -0.18 0.37 0.24 -1.28 0.02 0.00 0.00 177.57 176.74 2pa6 h SER 121 N 0.47 0.33 -0.26 0.57 0.87 -0.47 -0.35 113.55 114.71 2pa6 h SER 121 Ca 0.09 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 2pa6 h SER 121 Cb 0.57 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2pa6 h SER 121 CO 0.03 0.23 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.18 2pa6 h LEU 122 N 0.47 0.73 -0.98 2.23 3.38 -0.98 -2.93 115.31 117.22 2pa6 h LEU 122 Ca 0.22 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2pa6 h LEU 122 Cb 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2pa6 h LEU 122 CO -0.17 1.07 0.25 0.00 0.09 0.00 0.00 178.44 179.68 2pa6 h ALA 123 N 0.68 1.19 -0.25 1.53 0.00 -1.09 -2.08 119.26 119.23 2pa6 h ALA 123 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2pa6 h ALA 123 Cb 0.88 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2pa6 h ALA 123 CO 0.07 0.59 0.11 0.28 0.00 0.00 0.00 179.25 180.30 2pa6 h VAL 124 N 0.97 1.16 -0.43 0.00 2.07 -1.07 -1.09 116.25 117.86 2pa6 h VAL 124 Ca 0.22 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2pa6 h VAL 124 Cb 0.21 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2pa6 h VAL 124 CO -0.02 0.16 0.24 0.00 0.02 0.00 0.00 177.57 177.97 2pa6 h ALA 125 N 0.96 0.55 -0.81 1.67 0.00 -1.31 -0.56 119.26 119.76 2pa6 h ALA 125 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2pa6 h ALA 125 Cb 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2pa6 h ALA 125 CO -0.01 -0.10 0.37 0.87 0.00 0.00 0.00 179.25 180.39 2pa6 h LYS 126 N 0.48 1.16 -0.27 0.00 1.57 -1.21 -1.26 116.57 117.05 2pa6 h LYS 126 Ca 0.18 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 2pa6 h LYS 126 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2pa6 h LYS 126 CO -0.10 0.90 -0.33 0.00 -0.57 0.00 0.00 179.45 179.35 2pa6 h ALA 127 N 1.26 0.93 -0.27 3.86 0.00 -0.72 -1.08 119.26 123.25 2pa6 h ALA 127 Ca 0.28 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2pa6 h ALA 127 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pa6 h ALA 127 CO -0.03 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.72 2pa6 h ALA 128 N 1.16 0.37 -0.57 0.00 0.00 -0.75 -1.25 119.26 118.22 2pa6 h ALA 128 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2pa6 h ALA 128 Cb 0.81 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2pa6 h ALA 128 CO 0.07 0.23 0.34 0.00 0.00 0.00 0.00 179.25 179.89 2pa6 h ALA 129 N 0.74 0.72 -0.58 0.00 0.00 -1.13 -0.96 119.26 118.06 2pa6 h ALA 129 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2pa6 h ALA 129 Cb 0.62 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2pa6 h ALA 129 CO 0.04 0.20 0.24 0.00 0.00 0.00 0.00 179.25 179.73 2pa6 h ALA 130 N 1.17 1.34 -0.26 0.00 0.00 -1.09 0.15 119.26 120.56 2pa6 h ALA 130 Ca 0.20 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2pa6 h ALA 130 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2pa6 h ALA 130 CO -0.04 0.50 -0.49 1.15 0.00 0.00 0.00 179.25 180.38 2pa6 h THR 131 N 0.82 1.29 0.00 0.00 2.02 -0.69 -2.91 112.91 113.45 2pa6 h THR 131 Ca 0.20 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.69 2pa6 h THR 131 Cb 0.15 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2pa6 h THR 131 CO -0.02 0.54 0.00 0.00 0.37 0.00 0.00 175.52 176.41 2pa6 h ALA 132 N 0.89 1.00 -4.78 6.16 0.00 -0.72 -3.47 119.26 118.34 2pa6 h ALA 132 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 2pa6 h ALA 132 Cb 1.05 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.96 2pa6 h ALA 132 CO 0.10 0.00 -0.55 1.17 0.00 0.00 0.00 179.25 179.97 2pa6 n LYS 133 N -2.63 -5.80 -5.20 0.00 3.00 0.48 -5.02 118.16 103.00 2pa6 n LYS 133 Ca 0.04 0.65 -0.32 0.00 -0.00 0.00 0.00 58.31 58.68 2pa6 n LYS 133 Cb 0.43 -5.12 -0.17 0.00 0.00 0.00 0.00 35.03 30.18 2pa6 n LYS 133 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2pa6 s ILE 134 N -3.26 2.15 0.29 3.15 -1.09 -0.83 -5.05 121.20 116.56 2pa6 s ILE 134 Ca 0.29 -1.00 -0.28 0.00 -2.23 0.00 0.00 60.65 57.42 2pa6 s ILE 134 Cb -0.13 -1.81 -0.14 0.00 -1.58 0.00 0.00 42.46 38.80 2pa6 s ILE 134 CO 0.56 0.56 1.02 -2.65 -1.23 0.00 0.00 174.94 173.20 2pa6 n PRO 135 N 3.30 1.38 -0.25 2.79 -0.02 -1.26 -4.54 135.00 136.40 2pa6 n PRO 135 Ca -0.18 0.48 0.03 0.00 -2.02 0.00 0.00 63.50 61.81 2pa6 n PRO 135 Cb 0.53 -1.86 0.12 0.00 -0.02 0.00 0.00 33.50 32.27 2pa6 n PRO 135 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2pa6 h LEU 136 N 2.00 -0.51 -1.57 2.45 5.85 -1.96 0.39 115.31 121.95 2pa6 h LEU 136 Ca -0.40 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 2pa6 h LEU 136 Cb 1.34 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 2pa6 h LEU 136 CO 0.61 -0.21 -0.22 0.10 -0.34 0.00 0.00 178.44 178.37 2pa6 h TYR 137 N 0.05 0.00 -0.06 1.25 -0.00 -1.88 -0.42 116.97 115.91 2pa6 h TYR 137 Ca 0.38 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.91 2pa6 h TYR 137 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.37 2pa6 h TYR 137 CO -0.50 0.22 -0.82 0.87 -0.00 0.00 0.00 178.16 177.93 2pa6 h LYS 138 N 0.00 0.47 -0.31 0.10 1.79 -1.20 -1.14 116.57 116.28 2pa6 h LYS 138 Ca -0.00 -0.43 -0.17 0.00 -2.18 0.00 0.00 60.65 57.87 2pa6 h LYS 138 Cb 0.41 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2pa6 h LYS 138 CO 0.03 1.07 -0.46 -0.92 -1.08 0.00 0.00 179.45 178.08 2pa6 h TYR 139 N 0.30 1.07 -0.24 -1.35 3.20 -0.63 0.20 116.97 119.51 2pa6 h TYR 139 Ca -0.05 -0.36 -0.12 0.00 3.14 0.00 0.00 58.73 61.34 2pa6 h TYR 139 Cb 1.43 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 2pa6 h TYR 139 CO 0.06 1.18 -0.30 -0.07 -1.64 0.00 0.00 178.16 177.38 2pa6 h LEU 140 N 0.65 0.69 -2.08 2.82 3.38 -1.09 -3.36 115.31 116.32 2pa6 h LEU 140 Ca 0.03 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2pa6 h LEU 140 Cb 1.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2pa6 h LEU 140 CO 0.11 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.29 2pa6 n GLY 141 N 0.24 1.03 0.00 0.83 0.00 -0.43 -4.97 105.19 101.89 2pa6 n GLY 141 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2pa6 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa6 n GLY 142 N 0.44 -0.30 0.32 -0.02 0.00 0.69 -4.51 105.19 101.81 2pa6 n GLY 142 Ca 0.07 -1.82 0.08 0.00 0.00 0.00 0.00 46.02 44.36 2pa6 n GLY 142 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2pa6 h PHE 143 N 0.00 0.36 -0.56 1.61 -5.15 -1.94 -3.16 116.94 108.11 2pa6 h PHE 143 Ca 0.00 0.01 -0.34 0.00 -0.20 0.00 0.00 57.97 57.44 2pa6 h PHE 143 Cb 0.00 -0.12 -0.12 0.00 0.22 0.00 0.00 35.95 35.93 2pa6 h PHE 143 CO 0.00 0.20 0.09 -1.71 -2.00 0.00 0.00 178.31 174.89 2pa6 n ASN 144 N -4.48 5.96 -4.26 -0.68 5.15 -1.26 -4.80 115.26 110.89 2pa6 n ASN 144 Ca 0.05 -2.88 -0.37 0.00 -0.60 0.00 0.00 54.58 50.77 2pa6 n ASN 144 Cb 0.21 -1.28 -0.13 0.00 -0.53 0.00 0.00 39.78 38.05 2pa6 n ASN 144 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2pa6 s SER 145 N 1.02 5.12 0.00 1.20 0.01 -1.19 -4.87 113.70 114.99 2pa6 s SER 145 Ca 0.55 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2pa6 s SER 145 Cb 0.32 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2pa6 s SER 145 CO -0.11 -0.28 0.01 0.00 0.41 0.00 0.00 173.24 173.27 2pa6 n TYR 146 N 4.77 0.00 -3.17 2.43 4.11 -1.26 -4.87 117.16 119.17 2pa6 n TYR 146 Ca -0.13 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.37 2pa6 n TYR 146 Cb 0.45 0.06 -0.07 0.00 -0.00 0.00 0.00 39.34 39.78 2pa6 n TYR 146 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2pa6 s VAL 147 N 0.00 5.04 0.00 -3.48 1.01 -1.26 -1.54 120.40 120.17 2pa6 s VAL 147 Ca 0.00 1.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.79 2pa6 s VAL 147 Cb 0.00 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2pa6 s VAL 147 CO 0.00 0.09 0.75 -0.04 0.00 0.00 0.00 175.10 175.90 2pa6 s MET 148 N 2.14 4.47 0.52 2.72 -1.94 0.16 -4.41 119.30 122.96 2pa6 s MET 148 Ca 0.25 1.01 -0.18 0.00 -1.71 0.00 0.00 55.69 55.06 2pa6 s MET 148 Cb -0.16 -3.39 -0.07 0.00 2.01 0.00 0.00 34.83 33.22 2pa6 s MET 148 CO 0.09 0.20 1.01 -1.25 -0.01 0.00 0.00 175.02 175.07 2pa6 s PRO 149 N 0.26 3.75 -0.14 2.03 0.04 -1.26 -1.48 135.00 138.20 2pa6 s PRO 149 Ca 0.38 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.31 2pa6 s PRO 149 Cb -0.19 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 2pa6 s PRO 149 CO 0.21 -0.45 0.82 0.08 0.04 0.00 0.00 177.00 177.71 2pa6 s VAL 150 N -2.38 4.90 0.08 -0.36 1.01 -0.25 -4.81 120.40 118.59 2pa6 s VAL 150 Ca 0.62 1.64 -0.26 0.00 0.00 0.00 0.00 61.98 63.98 2pa6 s VAL 150 Cb -0.13 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 2pa6 s VAL 150 CO 0.28 0.07 0.82 -2.16 0.00 0.00 0.00 175.10 174.12 2pa6 s PRO 151 N 1.88 4.56 -0.42 2.72 0.04 -1.26 -2.05 135.00 140.47 2pa6 s PRO 151 Ca 0.39 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 2pa6 s PRO 151 Cb -0.17 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2pa6 s PRO 151 CO 0.14 0.29 0.32 -1.64 0.04 0.00 0.00 177.00 176.15 2pa6 s MET 152 N -0.14 2.97 -0.33 4.56 -1.94 -0.08 -4.17 119.30 120.15 2pa6 s MET 152 Ca 0.41 -1.10 -0.11 0.00 -1.71 0.00 0.00 55.69 53.17 2pa6 s MET 152 Cb -0.22 -4.01 -0.01 0.00 2.01 0.00 0.00 34.83 32.61 2pa6 s MET 152 CO 0.25 -0.82 0.20 -1.64 -0.01 0.00 0.00 175.02 173.01 2pa6 s MET 153 N 1.67 3.34 -1.00 2.03 -1.94 -0.42 -4.05 119.30 118.92 2pa6 s MET 153 Ca 0.05 -0.74 -0.23 0.00 -1.71 0.00 0.00 55.69 53.06 2pa6 s MET 153 Cb -0.20 -3.70 0.01 0.00 2.01 0.00 0.00 34.83 32.95 2pa6 s MET 153 CO 0.09 -0.47 1.66 1.21 -0.01 0.00 0.00 175.02 177.50 2pa6 s ASN 154 N 1.66 5.99 0.08 3.03 2.47 -1.26 -1.68 114.94 125.23 2pa6 s ASN 154 Ca 0.05 -1.23 0.22 0.00 0.42 0.00 0.00 52.86 52.32 2pa6 s ASN 154 Cb -0.17 -2.57 -0.16 0.00 -1.45 0.00 0.00 41.25 36.89 2pa6 s ASN 154 CO 0.08 -1.98 0.77 1.33 -3.72 0.00 0.00 177.10 173.58 2pa6 n VAL 155 N 7.25 0.29 -3.98 -5.21 0.24 -0.99 -3.68 118.33 112.25 2pa6 n VAL 155 Ca 0.37 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.87 2pa6 n VAL 155 Cb 0.49 -0.13 -0.16 0.00 -1.47 0.00 0.00 33.84 32.57 2pa6 n VAL 155 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2pa6 s ILE 156 N -3.43 1.49 0.10 1.34 1.01 -1.06 -0.50 121.20 120.16 2pa6 s ILE 156 Ca -0.04 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 2pa6 s ILE 156 Cb 0.12 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 41.01 2pa6 s ILE 156 CO 0.85 0.28 0.46 0.20 0.00 0.00 0.00 174.94 176.73 2pa6 s ASN 157 N 1.49 6.73 0.14 3.58 0.02 0.11 -1.51 114.94 125.49 2pa6 s ASN 157 Ca 0.02 0.93 0.03 0.00 -1.02 0.00 0.00 52.86 52.81 2pa6 s ASN 157 Cb -0.15 -2.23 -0.01 0.00 0.02 0.00 0.00 41.25 38.88 2pa6 s ASN 157 CO -0.09 0.15 0.11 0.61 0.02 0.00 0.00 177.10 177.90 2pa6 n GLY 158 N 0.92 3.59 0.00 0.66 0.00 0.05 -4.69 105.19 105.73 2pa6 n GLY 158 Ca -0.07 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2pa6 n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa6 n GLY 159 N -0.14 0.73 0.30 -0.02 0.00 0.75 -4.22 105.19 102.59 2pa6 n GLY 159 Ca 0.03 -1.93 0.20 0.00 0.00 0.00 0.00 46.02 44.31 2pa6 n GLY 159 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pa6 h LYS 160 N 0.00 0.00 -0.23 1.61 6.56 -1.88 -2.79 116.57 119.83 2pa6 h LYS 160 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2pa6 h LYS 160 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2pa6 h LYS 160 CO 0.00 0.00 0.00 0.72 -2.06 0.00 0.00 179.45 178.11 2pa6 n HIS 161 N -2.99 0.30 -0.02 -1.35 8.25 -1.26 -4.47 115.22 113.67 2pa6 n HIS 161 Ca -0.02 -0.24 -0.17 0.00 -0.26 0.00 0.00 57.72 57.04 2pa6 n HIS 161 Cb 0.14 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.17 2pa6 n HIS 161 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pa6 h ALA 162 N 2.86 0.31 0.00 -1.41 0.00 -1.66 -3.48 119.26 115.88 2pa6 h ALA 162 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2pa6 h ALA 162 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pa6 h ALA 162 CO 0.00 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2pa6 n GLY 163 N 0.70 1.79 0.00 0.00 0.00 -1.26 -4.82 105.19 101.60 2pa6 n GLY 163 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2pa6 n GLY 163 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pa6 n ASN 164 N 0.00 0.00 -1.49 1.61 0.23 -1.26 -5.03 115.26 109.32 2pa6 n ASN 164 Ca 0.00 -0.64 0.03 0.00 -0.53 0.00 0.00 54.58 53.44 2pa6 n ASN 164 Cb 0.00 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.01 2pa6 n ASN 164 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2pa6 n ASP 165 N -1.93 4.52 -4.73 0.53 8.00 -0.73 -4.85 116.55 117.36 2pa6 n ASP 165 Ca 0.00 -3.13 -0.41 0.00 0.71 0.00 0.00 54.79 51.96 2pa6 n ASP 165 Cb 0.00 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.12 40.41 2pa6 n ASP 165 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pa6 s LEU 166 N -2.91 4.52 -0.07 0.64 1.43 -1.18 -4.51 118.68 116.60 2pa6 s LEU 166 Ca 0.49 1.89 -0.19 0.00 -1.03 0.00 0.00 54.13 55.29 2pa6 s LEU 166 Cb 0.40 -3.60 -0.29 0.00 0.03 0.00 0.00 46.19 42.73 2pa6 s LEU 166 CO 0.11 -0.06 0.74 0.44 0.23 0.00 0.00 176.35 177.81 2pa6 h ASP 167 N 5.23 0.42 -3.95 2.29 3.32 -1.91 0.21 116.42 122.03 2pa6 h ASP 167 Ca -0.44 -0.90 -0.51 0.00 0.02 0.00 0.00 57.03 55.20 2pa6 h ASP 167 Cb 1.21 -0.14 0.06 0.00 0.22 0.00 0.00 39.33 40.68 2pa6 h ASP 167 CO 0.71 1.49 0.51 -0.76 -1.72 0.00 0.00 179.24 179.47 2pa6 s LEU 168 N -7.74 4.16 -0.02 1.55 1.02 -1.26 -3.91 118.68 112.47 2pa6 s LEU 168 Ca -0.16 2.35 -0.21 0.00 0.02 0.00 0.00 54.13 56.13 2pa6 s LEU 168 Cb 0.02 -4.06 -0.28 0.00 0.02 0.00 0.00 46.19 41.90 2pa6 s LEU 168 CO 0.80 -0.73 0.99 -0.61 0.02 0.00 0.00 176.35 176.82 2pa6 h GLN 169 N 2.53 0.34 -4.17 1.70 4.15 -1.42 -2.94 115.11 115.30 2pa6 h GLN 169 Ca -0.49 -0.47 -0.42 0.00 0.77 0.00 0.00 58.65 58.04 2pa6 h GLN 169 Cb 1.24 0.16 -0.33 0.00 0.21 0.00 0.00 27.48 28.75 2pa6 h GLN 169 CO 0.62 1.17 -0.78 -1.21 -1.93 0.00 0.00 178.83 176.71 2pa6 s GLU 170 N -2.79 0.91 -0.30 1.69 2.02 -0.49 -0.77 118.70 118.97 2pa6 s GLU 170 Ca -0.13 -0.17 -0.01 0.00 0.02 0.00 0.00 54.97 54.68 2pa6 s GLU 170 Cb 0.02 -0.87 0.06 0.00 0.10 0.00 0.00 34.13 33.43 2pa6 s GLU 170 CO 0.82 -0.03 -0.00 -0.06 0.02 0.00 0.00 175.26 176.01 2pa6 s PHE 171 N 0.71 3.30 0.21 1.61 0.40 -0.57 -1.34 117.98 122.30 2pa6 s PHE 171 Ca -0.10 -2.00 0.09 0.00 -0.60 0.00 0.00 56.93 54.32 2pa6 s PHE 171 Cb -0.13 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 2pa6 s PHE 171 CO 0.01 -0.83 -0.08 -1.64 0.70 0.00 0.00 175.22 173.38 2pa6 s MET 172 N 1.21 2.10 0.02 0.44 -1.94 -0.06 -2.34 119.30 118.74 2pa6 s MET 172 Ca -0.04 -1.35 0.05 0.00 -1.71 0.00 0.00 55.69 52.63 2pa6 s MET 172 Cb -0.20 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.47 2pa6 s MET 172 CO -0.02 0.41 -0.10 0.96 -0.01 0.00 0.00 175.02 176.26 2pa6 s ILE 173 N -1.95 3.41 -0.22 2.53 -4.36 -0.67 -1.72 121.20 118.22 2pa6 s ILE 173 Ca 0.27 -0.92 -0.01 0.00 -0.26 0.00 0.00 60.65 59.73 2pa6 s ILE 173 Cb -0.08 -2.49 0.06 0.00 1.25 0.00 0.00 42.46 41.21 2pa6 s ILE 173 CO 0.17 0.35 0.01 -0.04 0.24 0.00 0.00 174.94 175.66 2pa6 s MET 174 N -1.50 1.02 -1.40 0.37 -1.94 0.72 -1.30 119.30 115.28 2pa6 s MET 174 Ca 0.17 -0.67 -0.12 0.00 -1.71 0.00 0.00 55.69 53.36 2pa6 s MET 174 Cb -0.11 -2.29 -0.04 0.00 2.01 0.00 0.00 34.83 34.40 2pa6 s MET 174 CO 0.08 -0.64 2.47 -0.35 -0.01 0.00 0.00 175.02 176.57 2pa6 n PRO 175 N 4.90 2.96 0.29 2.03 -0.04 -1.26 -1.30 135.00 142.59 2pa6 n PRO 175 Ca -0.10 -2.24 0.17 0.00 -0.04 0.00 0.00 63.50 61.29 2pa6 n PRO 175 Cb 0.46 -2.97 0.90 0.00 -0.04 0.00 0.00 33.50 31.84 2pa6 n PRO 175 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pa6 h VAL 176 N 3.60 0.29 -0.00 0.52 -1.51 -1.66 -2.38 116.25 115.10 2pa6 h VAL 176 Ca 0.67 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 2pa6 h VAL 176 Cb 0.45 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2pa6 h VAL 176 CO 1.81 0.05 -0.14 0.61 -1.23 0.00 0.00 177.57 178.67 2pa6 n GLY 177 N -0.75 -0.87 3.75 5.19 0.00 0.72 -2.77 105.19 110.45 2pa6 n GLY 177 Ca -0.02 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2pa6 n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa6 s ALA 178 N -2.48 2.09 -2.05 4.61 0.00 -0.90 -4.92 121.76 118.12 2pa6 s ALA 178 Ca 0.28 0.35 0.17 0.00 0.00 0.00 0.00 51.96 52.75 2pa6 s ALA 178 Cb 0.20 -3.31 0.16 0.00 0.00 0.00 0.00 23.12 20.17 2pa6 s ALA 178 CO 0.48 -1.98 1.07 0.25 0.00 0.00 0.00 175.76 175.58 2pa6 n THR 179 N -3.65 0.09 -3.61 0.00 -2.24 -1.26 -4.77 114.28 98.83 2pa6 n THR 179 Ca 0.10 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 61.24 2pa6 n THR 179 Cb 0.53 1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 70.01 2pa6 n THR 179 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pa6 s SER 180 N -1.37 -0.41 0.28 3.42 1.04 -1.26 -4.65 113.70 110.75 2pa6 s SER 180 Ca 0.21 -0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.46 2pa6 s SER 180 Cb 0.14 0.63 0.41 0.00 0.10 0.00 0.00 66.02 67.30 2pa6 s SER 180 CO 0.21 -1.08 1.66 -0.29 0.98 0.00 0.00 173.24 174.72 2pa6 h ILE 181 N 2.00 1.35 -0.23 -1.02 -0.00 -1.93 -0.36 117.51 117.32 2pa6 h ILE 181 Ca -0.27 -1.73 -0.00 0.00 -0.00 0.00 0.00 64.86 62.87 2pa6 h ILE 181 Cb 1.28 1.85 -0.01 0.00 -0.00 0.00 0.00 36.82 39.94 2pa6 h ILE 181 CO 0.31 0.51 0.14 0.28 -0.00 0.00 0.00 178.15 179.39 2pa6 h SER 182 N 0.14 0.27 -0.46 2.19 0.02 -1.94 -0.44 113.55 113.33 2pa6 h SER 182 Ca 0.00 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.81 2pa6 h SER 182 Cb 0.93 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 2pa6 h SER 182 CO 0.07 0.23 -0.13 -0.08 -1.14 0.00 0.00 176.83 175.78 2pa6 h GLU 183 N 0.29 0.93 -0.68 3.45 4.81 -1.89 -2.28 114.58 119.21 2pa6 h GLU 183 Ca 0.08 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2pa6 h GLU 183 Cb 0.00 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 2pa6 h GLU 183 CO -0.02 1.00 0.45 0.00 -0.73 0.00 0.00 179.01 179.71 2pa6 h ALA 184 N 1.02 0.87 -0.62 2.92 0.00 -0.70 0.10 119.26 122.85 2pa6 h ALA 184 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2pa6 h ALA 184 Cb 0.67 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2pa6 h ALA 184 CO 0.05 0.27 0.15 0.28 0.00 0.00 0.00 179.25 180.00 2pa6 h VAL 185 N 0.90 1.25 -0.31 0.00 2.07 -0.93 -1.36 116.25 117.87 2pa6 h VAL 185 Ca 0.26 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2pa6 h VAL 185 Cb -0.08 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2pa6 h VAL 185 CO -0.07 0.35 0.07 -0.09 0.02 0.00 0.00 177.57 177.85 2pa6 h ARG 186 N 0.91 0.51 -0.65 1.57 2.43 -0.81 -0.93 114.38 117.40 2pa6 h ARG 186 Ca 0.20 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2pa6 h ARG 186 Cb 0.36 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 2pa6 h ARG 186 CO 0.00 0.58 0.40 0.52 -1.51 0.00 0.00 179.97 179.97 2pa6 h MET 187 N 0.34 0.77 -0.50 0.20 2.86 -0.66 0.43 114.93 118.38 2pa6 h MET 187 Ca 0.10 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2pa6 h MET 187 Cb 0.31 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2pa6 h MET 187 CO 0.00 0.51 0.27 0.78 1.06 0.00 0.00 176.91 179.54 2pa6 h GLY 188 N 0.79 0.74 1.02 8.32 0.00 -1.04 -0.96 103.07 111.96 2pa6 h GLY 188 Ca 0.26 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2pa6 h GLY 188 CO -0.10 0.32 0.14 0.23 0.00 0.00 0.00 176.54 177.13 2pa6 h SER 189 N 0.66 0.92 -0.58 0.19 0.87 -0.66 -0.22 113.55 114.74 2pa6 h SER 189 Ca 0.18 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 2pa6 h SER 189 Cb 0.05 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2pa6 h SER 189 CO -0.03 0.92 0.05 -0.33 -0.53 0.00 0.00 176.83 176.92 2pa6 h GLU 190 N 0.89 0.99 -0.48 2.24 5.08 -0.72 -0.82 114.58 121.75 2pa6 h GLU 190 Ca 0.19 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2pa6 h GLU 190 Cb 0.36 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2pa6 h GLU 190 CO 0.00 0.96 -0.03 0.28 -1.00 0.00 0.00 179.01 179.22 2pa6 h VAL 191 N 0.88 1.27 -0.57 3.13 2.07 -1.03 -1.30 116.25 120.70 2pa6 h VAL 191 Ca 0.17 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.61 2pa6 h VAL 191 Cb 0.48 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2pa6 h VAL 191 CO 0.02 0.39 0.32 0.22 0.02 0.00 0.00 177.57 178.54 2pa6 h TYR 192 N 0.73 0.59 -0.11 1.57 3.20 -0.80 0.81 116.97 122.95 2pa6 h TYR 192 Ca 0.13 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 2pa6 h TYR 192 Cb 0.56 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2pa6 h TYR 192 CO 0.04 0.31 -0.53 0.45 -1.64 0.00 0.00 178.16 176.79 2pa6 h HIS 193 N 0.62 0.39 -0.33 -3.82 3.86 -0.95 -0.42 115.15 114.51 2pa6 h HIS 193 Ca 0.24 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.25 2pa6 h HIS 193 Cb 0.10 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2pa6 h HIS 193 CO -0.08 0.78 -0.07 0.28 0.86 0.00 0.00 177.93 179.70 2pa6 h VAL 194 N 0.25 1.28 -0.64 2.45 2.07 -0.81 -2.43 116.25 118.41 2pa6 h VAL 194 Ca 0.01 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.44 2pa6 h VAL 194 Cb 1.02 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 2pa6 h VAL 194 CO 0.09 0.36 0.39 0.25 0.02 0.00 0.00 177.57 178.68 2pa6 h LEU 195 N 0.41 0.63 -0.57 2.57 5.85 -0.68 -0.18 115.31 123.33 2pa6 h LEU 195 Ca 0.08 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2pa6 h LEU 195 Cb 0.56 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2pa6 h LEU 195 CO 0.03 0.43 0.34 0.50 -0.34 0.00 0.00 178.44 179.40 2pa6 h LYS 196 N 0.76 0.64 -0.18 1.25 3.64 -0.91 -0.85 116.57 120.91 2pa6 h LYS 196 Ca 0.26 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.45 2pa6 h LYS 196 Cb 0.04 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2pa6 h LYS 196 CO -0.11 0.42 -0.53 -0.91 -2.27 0.00 0.00 179.45 176.06 2pa6 h ASN 197 N 0.66 0.58 -0.45 4.20 2.35 -0.93 -0.64 115.58 121.35 2pa6 h ASN 197 Ca 0.24 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2pa6 h ASN 197 Cb 0.05 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2pa6 h ASN 197 CO -0.12 1.00 0.21 0.58 -1.65 0.00 0.00 177.43 177.45 2pa6 h VAL 198 N 0.41 1.19 -0.48 2.81 2.07 -0.69 0.33 116.25 121.90 2pa6 h VAL 198 Ca 0.01 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2pa6 h VAL 198 Cb 1.06 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2pa6 h VAL 198 CO 0.10 0.21 0.16 0.40 0.02 0.00 0.00 177.57 178.46 2pa6 h ILE 199 N 0.59 1.22 -0.17 4.57 2.04 -1.04 -0.84 117.51 123.88 2pa6 h ILE 199 Ca 0.16 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2pa6 h ILE 199 Cb 0.13 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2pa6 h ILE 199 CO -0.02 0.27 0.10 0.25 0.00 0.00 0.00 178.15 178.74 2pa6 h LEU 200 N 0.63 0.21 -0.92 1.44 6.46 -0.82 0.82 115.31 123.13 2pa6 h LEU 200 Ca 0.16 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.74 2pa6 h LEU 200 Cb 0.25 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2pa6 h LEU 200 CO -0.01 0.23 -0.27 -0.33 -0.62 0.00 0.00 178.44 177.43 2pa6 h GLU 201 N 0.18 0.47 0.04 1.25 4.39 -0.85 -1.21 114.58 118.85 2pa6 h GLU 201 Ca 0.06 -0.18 -0.31 0.00 0.34 0.00 0.00 59.36 59.26 2pa6 h GLU 201 Cb 0.06 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 2pa6 h GLU 201 CO -0.01 0.70 -1.79 1.17 -1.16 0.00 0.00 179.01 177.92 2pa6 n LYS 202 N -4.11 0.67 0.00 2.33 4.81 -0.33 -4.57 118.16 116.97 2pa6 n LYS 202 Ca -0.01 0.29 0.02 0.00 -0.87 0.00 0.00 58.31 57.74 2pa6 n LYS 202 Cb 0.42 -1.77 0.01 0.00 0.02 0.00 0.00 35.03 33.71 2pa6 n LYS 202 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2pa6 n TYR 203 N -3.19 0.00 0.00 5.64 4.01 0.28 -5.07 117.16 118.84 2pa6 n TYR 203 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2pa6 n TYR 203 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 2pa6 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pa6 n GLY 204 N 0.28 1.93 0.00 2.72 0.00 -0.46 -4.55 105.19 105.11 2pa6 n GLY 204 Ca 0.02 -1.95 0.11 0.00 0.00 0.00 0.00 46.02 44.19 2pa6 n GLY 204 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pa6 n LYS 205 N 1.76 0.43 -0.17 1.61 2.85 -1.26 -2.51 118.16 120.87 2pa6 n LYS 205 Ca 0.00 0.06 0.12 0.00 -1.05 0.00 0.00 58.31 57.43 2pa6 n LYS 205 Cb 0.00 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.08 2pa6 n LYS 205 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2pa6 n ASN 206 N -1.18 3.42 -0.94 -5.58 6.94 -1.26 -4.39 115.26 112.26 2pa6 n ASN 206 Ca 0.12 -1.99 0.08 0.00 -0.02 0.00 0.00 54.58 52.77 2pa6 n ASN 206 Cb 0.13 -0.23 0.23 0.00 -2.36 0.00 0.00 39.78 37.55 2pa6 n ASN 206 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pa6 n ALA 207 N 1.47 2.43 -0.99 -2.53 0.00 -1.04 -4.62 120.51 115.22 2pa6 n ALA 207 Ca 0.19 -1.38 0.09 0.00 0.00 0.00 0.00 53.44 52.34 2pa6 n ALA 207 Cb 0.60 -0.64 0.25 0.00 0.00 0.00 0.00 19.45 19.66 2pa6 n ALA 207 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2pa6 n VAL 208 N 0.70 2.24 -1.96 0.00 0.24 -1.26 -4.60 118.33 113.68 2pa6 n VAL 208 Ca 0.17 -1.90 -0.31 0.00 -2.04 0.00 0.00 64.34 60.26 2pa6 n VAL 208 Cb 0.58 -0.24 0.01 0.00 -1.47 0.00 0.00 33.84 32.72 2pa6 n VAL 208 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2pa6 s ASN 209 N -2.00 6.11 0.24 -1.34 0.01 -1.26 -5.02 114.94 111.68 2pa6 s ASN 209 Ca 0.41 1.54 0.08 0.00 -0.71 0.00 0.00 52.86 54.18 2pa6 s ASN 209 Cb 0.33 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 2pa6 s ASN 209 CO 0.08 -0.95 0.10 0.68 -1.51 0.00 0.00 177.10 175.51 2pa6 s VAL 210 N -2.93 4.01 0.38 1.60 -7.23 -1.26 -4.37 120.40 110.59 2pa6 s VAL 210 Ca 0.58 -1.56 -0.04 0.00 -1.81 0.00 0.00 61.98 59.15 2pa6 s VAL 210 Cb -0.12 -3.13 0.08 0.00 0.56 0.00 0.00 36.38 33.77 2pa6 s VAL 210 CO 0.47 -0.31 0.51 0.61 -0.31 0.00 0.00 175.10 176.07 2pa6 n GLY 211 N -0.88 -0.35 0.38 2.32 0.00 -0.46 -4.88 105.19 101.33 2pa6 n GLY 211 Ca -0.08 -1.83 0.17 0.00 0.00 0.00 0.00 46.02 44.28 2pa6 n GLY 211 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pa6 h ASP 212 N -0.53 0.37 -0.72 1.61 3.32 -1.93 -1.82 116.42 116.72 2pa6 h ASP 212 Ca -0.17 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2pa6 h ASP 212 Cb 0.53 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2pa6 h ASP 212 CO 0.14 0.18 0.00 -0.62 -1.72 0.00 0.00 179.24 177.23 2pa6 n GLU 213 N -4.47 3.03 -0.20 3.56 1.02 -1.26 -4.95 120.64 117.37 2pa6 n GLU 213 Ca 0.15 -2.74 0.00 0.00 -0.02 0.00 0.00 57.16 54.55 2pa6 n GLU 213 Cb 0.57 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2pa6 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pa6 n GLY 214 N 1.53 1.09 3.91 0.62 0.00 -0.69 -1.72 105.19 109.93 2pa6 n GLY 214 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 2pa6 n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pa6 s GLY 215 N -1.76 1.62 0.30 -0.02 0.00 -1.24 -4.67 107.32 101.55 2pa6 s GLY 215 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 44.72 44.01 2pa6 s GLY 215 CO 0.00 -0.22 0.46 -1.36 0.00 0.00 0.00 173.10 171.98 2pa6 s PHE 216 N -3.60 3.40 -0.51 1.90 0.08 0.35 -1.35 117.98 118.24 2pa6 s PHE 216 Ca 0.64 0.08 0.07 0.00 0.12 0.00 0.00 56.93 57.84 2pa6 s PHE 216 Cb -0.10 -1.79 0.28 0.00 -0.57 0.00 0.00 43.02 40.84 2pa6 s PHE 216 CO 0.49 0.22 0.70 0.00 -0.10 0.00 0.00 175.22 176.53 2pa6 n ALA 217 N -1.61 3.30 -1.38 5.36 0.00 -1.26 0.07 120.51 125.00 2pa6 n ALA 217 Ca -0.06 -4.10 -0.34 0.00 0.00 0.00 0.00 53.44 48.94 2pa6 n ALA 217 Cb 0.57 -0.85 0.09 0.00 0.00 0.00 0.00 19.45 19.26 2pa6 n ALA 217 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pa6 s PRO 218 N -2.18 2.18 -0.85 0.00 0.04 -1.26 -4.62 135.00 128.31 2pa6 s PRO 218 Ca 0.40 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 2pa6 s PRO 218 Cb 0.20 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.79 2pa6 s PRO 218 CO -0.07 -1.80 1.99 -0.35 0.04 0.00 0.00 177.00 176.81 2pa6 n PRO 219 N -2.68 1.74 -3.99 0.56 -0.04 -1.26 -4.67 135.00 124.66 2pa6 n PRO 219 Ca 0.13 -1.80 -0.22 0.00 -0.04 0.00 0.00 63.50 61.57 2pa6 n PRO 219 Cb 0.50 -2.83 -0.05 0.00 -0.04 0.00 0.00 33.50 31.08 2pa6 n PRO 219 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pa6 s LEU 220 N 0.97 3.45 0.00 1.53 1.43 -1.26 -4.93 118.68 119.86 2pa6 s LEU 220 Ca 0.52 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2pa6 s LEU 220 Cb 0.13 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2pa6 s LEU 220 CO 0.07 -0.28 0.02 2.29 0.23 0.00 0.00 176.35 178.67 2pa6 n LYS 221 N -1.23 2.48 -4.21 1.70 2.85 -1.26 -1.77 118.16 116.72 2pa6 n LYS 221 Ca -0.03 -0.02 -0.19 0.00 -1.05 0.00 0.00 58.31 57.03 2pa6 n LYS 221 Cb 0.60 -0.24 -0.12 0.00 -0.65 0.00 0.00 35.03 34.63 2pa6 n LYS 221 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2pa6 s THR 222 N -0.36 1.25 0.32 0.58 -4.23 -1.26 -4.58 115.64 107.36 2pa6 s THR 222 Ca 0.00 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2pa6 s THR 222 Cb 0.00 -1.32 0.24 0.00 1.34 0.00 0.00 72.50 72.76 2pa6 s THR 222 CO 0.00 -0.30 1.96 0.28 -0.54 0.00 0.00 174.62 176.01 2pa6 h SER 223 N 3.93 0.81 -0.12 3.99 0.02 -1.98 -1.97 113.55 118.22 2pa6 h SER 223 Ca -0.41 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 2pa6 h SER 223 Cb 1.19 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2pa6 h SER 223 CO 0.45 0.63 -0.08 0.03 -1.14 0.00 0.00 176.83 176.72 2pa6 h ARG 224 N 0.93 0.43 -0.42 3.45 3.08 -1.97 0.14 114.38 120.01 2pa6 h ARG 224 Ca 0.24 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 2pa6 h ARG 224 Cb -0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2pa6 h ARG 224 CO -0.04 0.52 -0.10 0.93 -1.07 0.00 0.00 179.97 180.20 2pa6 h GLU 225 N 0.40 0.81 -0.34 0.04 5.08 -1.79 0.17 114.58 118.96 2pa6 h GLU 225 Ca 0.08 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 2pa6 h GLU 225 Cb 0.40 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2pa6 h GLU 225 CO 0.02 0.94 -0.00 0.00 -1.00 0.00 0.00 179.01 178.97 2pa6 h ALA 226 N 0.85 0.46 -0.02 3.43 0.00 -0.98 -1.63 119.26 121.37 2pa6 h ALA 226 Ca 0.11 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2pa6 h ALA 226 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2pa6 h ALA 226 CO 0.04 0.22 -0.49 -0.07 0.00 0.00 0.00 179.25 178.95 2pa6 h LEU 227 N 0.40 0.05 -0.50 0.00 3.38 -0.67 -1.65 115.31 116.33 2pa6 h LEU 227 Ca 0.10 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 2pa6 h LEU 227 Cb 0.45 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2pa6 h LEU 227 CO 0.02 0.54 -0.42 0.44 0.09 0.00 0.00 178.44 179.10 2pa6 h ASP 228 N 0.04 0.82 -0.46 -0.43 3.32 -0.51 -1.02 116.42 118.17 2pa6 h ASP 228 Ca -0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 2pa6 h ASP 228 Cb 0.89 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2pa6 h ASP 228 CO 0.07 1.13 0.09 0.25 -1.72 0.00 0.00 179.24 179.06 2pa6 h LEU 229 N 0.62 0.72 -0.46 1.55 5.85 -1.00 0.24 115.31 122.82 2pa6 h LEU 229 Ca 0.05 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2pa6 h LEU 229 Cb 0.98 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2pa6 h LEU 229 CO 0.09 0.78 0.17 -0.07 -0.34 0.00 0.00 178.44 179.08 2pa6 h LEU 230 N 0.63 0.65 -0.61 2.25 3.38 -1.20 -0.73 115.31 119.67 2pa6 h LEU 230 Ca 0.14 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2pa6 h LEU 230 Cb 0.36 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2pa6 h LEU 230 CO 0.01 0.65 0.39 0.74 0.09 0.00 0.00 178.44 180.32 2pa6 h THR 231 N 0.60 1.12 -0.48 0.22 2.02 -0.94 0.24 112.91 115.70 2pa6 h THR 231 Ca 0.15 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 2pa6 h THR 231 Cb 0.22 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2pa6 h THR 231 CO -0.01 0.14 0.29 -0.08 0.37 0.00 0.00 175.52 176.23 2pa6 h GLU 232 N 0.79 0.65 -0.32 6.66 4.81 -0.68 -0.33 114.58 126.15 2pa6 h GLU 232 Ca 0.23 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2pa6 h GLU 232 Cb -0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2pa6 h GLU 232 CO -0.07 0.47 -0.08 0.77 -0.73 0.00 0.00 179.01 179.37 2pa6 h SER 233 N 0.64 0.62 -0.37 1.04 0.02 -0.54 -1.73 113.55 113.23 2pa6 h SER 233 Ca 0.17 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2pa6 h SER 233 Cb -0.01 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2pa6 h SER 233 CO -0.03 0.84 0.17 0.58 -1.14 0.00 0.00 176.83 177.25 2pa6 h VAL 234 N 0.39 1.18 -0.25 2.27 2.07 -0.39 0.17 116.25 121.68 2pa6 h VAL 234 Ca 0.08 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.09 2pa6 h VAL 234 Cb 0.57 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2pa6 h VAL 234 CO 0.03 0.19 0.15 0.11 0.02 0.00 0.00 177.57 178.07 2pa6 h LYS 235 N 0.45 0.31 0.00 1.57 1.57 -1.02 -2.00 116.57 117.46 2pa6 h LYS 235 Ca 0.12 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2pa6 h LYS 235 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2pa6 h LYS 235 CO -0.01 0.20 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.54 2pa6 h LYS 236 N 0.32 0.00 0.00 3.15 3.64 -1.14 -1.54 116.57 121.00 2pa6 h LYS 236 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2pa6 h LYS 236 Cb -0.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2pa6 h LYS 236 CO -0.04 0.31 -0.02 0.00 -2.27 0.00 0.00 179.45 177.43 2pa6 h ALA 237 N 1.69 1.00 0.00 5.00 0.00 -0.51 -3.47 119.26 122.97 2pa6 h ALA 237 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pa6 h ALA 237 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2pa6 h ALA 237 CO 0.04 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2pa6 n GLY 238 N 0.36 0.82 1.00 0.00 0.00 -0.58 -4.97 105.19 101.83 2pa6 n GLY 238 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2pa6 n GLY 238 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pa6 n TYR 239 N -2.32 0.76 -0.33 1.61 4.01 -0.88 -4.78 117.16 115.23 2pa6 n TYR 239 Ca 0.00 -1.65 0.12 0.00 -0.16 0.00 0.00 57.90 56.21 2pa6 n TYR 239 Cb 0.00 -0.38 0.33 0.00 -0.31 0.00 0.00 39.34 38.99 2pa6 n TYR 239 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2pa6 h GLU 240 N 1.14 0.75 -0.01 -0.72 4.81 -1.85 -1.23 114.58 117.47 2pa6 h GLU 240 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2pa6 h GLU 240 Cb 1.31 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2pa6 h GLU 240 CO 0.26 0.49 -0.15 -0.25 -0.73 0.00 0.00 179.01 178.63 2pa6 n ASP 241 N -4.67 1.02 -0.01 1.04 8.00 -1.26 -4.09 116.55 116.58 2pa6 n ASP 241 Ca 0.21 -1.00 0.02 0.00 0.71 0.00 0.00 54.79 54.73 2pa6 n ASP 241 Cb 0.52 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 2pa6 n ASP 241 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pa6 n GLU 242 N -0.50 5.54 -4.87 -1.24 4.71 -0.63 -4.75 120.64 118.90 2pa6 n GLU 242 Ca 0.15 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.16 56.94 2pa6 n GLU 242 Cb 0.33 -0.69 -0.15 0.00 -1.01 0.00 0.00 31.44 29.92 2pa6 n GLU 242 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2pa6 s VAL 243 N -1.32 2.84 0.46 2.62 1.01 -0.56 -0.20 120.40 125.25 2pa6 s VAL 243 Ca 0.02 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2pa6 s VAL 243 Cb 0.03 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2pa6 s VAL 243 CO 0.15 0.53 0.01 0.68 0.00 0.00 0.00 175.10 176.48 2pa6 s VAL 244 N 0.33 1.64 0.16 2.92 -7.23 -0.42 -4.87 120.40 112.93 2pa6 s VAL 244 Ca -0.12 -1.99 0.08 0.00 -1.81 0.00 0.00 61.98 58.13 2pa6 s VAL 244 Cb -0.16 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2pa6 s VAL 244 CO 0.06 0.00 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.45 2pa6 s PHE 245 N -2.78 2.77 0.01 2.82 0.08 0.05 -0.20 117.98 120.73 2pa6 s PHE 245 Ca 0.22 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.13 2pa6 s PHE 245 Cb 0.06 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 41.14 2pa6 s PHE 245 CO 0.12 0.50 -0.05 0.00 -0.10 0.00 0.00 175.22 175.69 2pa6 s ALA 246 N -1.64 0.40 0.12 5.36 0.00 -0.70 -0.72 121.76 124.58 2pa6 s ALA 246 Ca 0.26 -0.31 0.09 0.00 0.00 0.00 0.00 51.96 52.00 2pa6 s ALA 246 Cb -0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2pa6 s ALA 246 CO 0.17 0.06 -0.24 -0.51 0.00 0.00 0.00 175.76 175.25 2pa6 s LEU 247 N -0.42 2.31 -0.37 0.00 1.43 0.24 -0.89 118.68 120.98 2pa6 s LEU 247 Ca -0.01 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.40 2pa6 s LEU 247 Cb -0.03 -1.04 0.11 0.00 0.03 0.00 0.00 46.19 45.26 2pa6 s LEU 247 CO -0.00 0.11 0.12 -0.62 0.23 0.00 0.00 176.35 176.19 2pa6 s ASP 248 N -1.99 4.35 0.19 2.29 2.15 -0.45 0.20 116.67 123.41 2pa6 s ASP 248 Ca 0.10 -2.23 -0.04 0.00 0.43 0.00 0.00 52.55 50.81 2pa6 s ASP 248 Cb -0.10 -1.35 0.12 0.00 -0.30 0.00 0.00 42.92 41.29 2pa6 s ASP 248 CO 0.05 -0.35 1.54 0.00 -0.17 0.00 0.00 175.17 176.24 2pa6 h ALA 249 N 7.43 0.74 -6.49 3.66 0.00 -1.11 -1.16 119.26 122.33 2pa6 h ALA 249 Ca -0.07 -0.46 -0.50 0.00 0.00 0.00 0.00 54.91 53.88 2pa6 h ALA 249 Cb 0.98 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2pa6 h ALA 249 CO 0.53 0.66 -0.87 0.00 0.00 0.00 0.00 179.25 179.57 2pa6 n ALA 250 N -2.52 -1.90 0.07 0.00 0.00 -1.12 -3.31 120.51 111.73 2pa6 n ALA 250 Ca -0.02 -0.22 0.21 0.00 0.00 0.00 0.00 53.44 53.41 2pa6 n ALA 250 Cb 0.54 -1.85 0.73 0.00 0.00 0.00 0.00 19.45 18.88 2pa6 n ALA 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pa6 h ALA 251 N 0.85 2.18 -0.12 0.00 0.00 -1.60 -0.77 119.26 119.81 2pa6 h ALA 251 Ca -0.62 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.30 2pa6 h ALA 251 Cb 1.38 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2pa6 h ALA 251 CO 0.64 -0.70 0.09 0.77 0.00 0.00 0.00 179.25 180.04 2pa6 h SER 252 N 0.00 0.00 0.40 0.00 0.02 -1.84 -2.18 113.55 109.95 2pa6 h SER 252 Ca 0.21 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2pa6 h SER 252 Cb 1.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2pa6 h SER 252 CO -0.00 0.00 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.06 2pa6 h GLU 253 N 0.00 0.00 -0.13 3.45 4.39 -1.47 -3.04 114.58 117.78 2pa6 h GLU 253 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2pa6 h GLU 253 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2pa6 h GLU 253 CO -0.00 0.30 -0.02 1.97 -1.16 0.00 0.00 179.01 180.10 2pa6 n PHE 254 N -3.97 0.47 -4.11 4.33 1.16 -0.86 -4.98 117.46 109.49 2pa6 n PHE 254 Ca -0.02 -1.00 -0.35 0.00 -1.87 0.00 0.00 57.45 54.21 2pa6 n PHE 254 Cb 0.37 -0.24 -0.09 0.00 -1.61 0.00 0.00 39.48 37.90 2pa6 n PHE 254 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2pa6 s TYR 255 N -2.90 3.28 -0.26 2.97 5.04 -0.98 -0.75 117.35 123.74 2pa6 s TYR 255 Ca 0.37 0.17 -0.14 0.00 -2.44 0.00 0.00 57.07 55.03 2pa6 s TYR 255 Cb 0.32 -1.96 0.08 0.00 0.35 0.00 0.00 41.96 40.75 2pa6 s TYR 255 CO 0.05 0.34 0.64 0.21 -1.34 0.00 0.00 175.55 175.45 2pa6 s LYS 256 N -0.24 0.64 -1.30 4.97 2.20 0.48 -4.97 119.74 121.52 2pa6 s LYS 256 Ca 0.08 1.18 -0.14 0.00 -0.36 0.00 0.00 55.97 56.73 2pa6 s LYS 256 Cb -0.12 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.39 2pa6 s LYS 256 CO 0.02 -0.16 0.53 -0.25 -0.36 0.00 0.00 175.35 175.13 2pa6 n ASP 257 N 4.43 -2.52 0.00 1.43 8.00 -1.26 -1.89 116.55 124.74 2pa6 n ASP 257 Ca -0.20 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.19 2pa6 n ASP 257 Cb 0.57 -2.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.05 2pa6 n ASP 257 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pa6 n GLY 258 N -2.00 1.51 3.13 0.44 0.00 -1.26 -5.03 105.19 101.97 2pa6 n GLY 258 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 2pa6 n GLY 258 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pa6 s TYR 259 N -3.34 0.81 -0.23 1.61 1.51 -0.79 -4.76 117.35 112.17 2pa6 s TYR 259 Ca 0.00 -0.73 -0.08 0.00 -1.01 0.00 0.00 57.07 55.26 2pa6 s TYR 259 Cb 0.00 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 2pa6 s TYR 259 CO 0.00 -0.11 0.09 0.71 -1.11 0.00 0.00 175.55 175.12 2pa6 s TYR 260 N -2.61 3.16 -0.75 2.71 2.02 0.30 -0.39 117.35 121.79 2pa6 s TYR 260 Ca 0.02 -0.17 -0.17 0.00 -0.37 0.00 0.00 57.07 56.38 2pa6 s TYR 260 Cb -0.02 -2.21 0.14 0.00 -0.40 0.00 0.00 41.96 39.48 2pa6 s TYR 260 CO -0.02 -0.16 0.83 0.71 -1.57 0.00 0.00 175.55 175.35 2pa6 s TYR 261 N 1.22 3.24 -0.13 2.71 1.51 0.07 -0.23 117.35 125.74 2pa6 s TYR 261 Ca 0.05 -1.37 0.02 0.00 -1.01 0.00 0.00 57.07 54.76 2pa6 s TYR 261 Cb -0.14 -4.03 -0.00 0.00 -0.11 0.00 0.00 41.96 37.67 2pa6 s TYR 261 CO 0.04 -1.26 -0.19 0.08 -1.11 0.00 0.00 175.55 173.10 2pa6 s VAL 262 N 1.98 2.41 -1.42 0.71 1.01 -0.51 -4.76 120.40 119.81 2pa6 s VAL 262 Ca 0.19 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2pa6 s VAL 262 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2pa6 s VAL 262 CO -0.02 0.54 0.34 -0.62 0.00 0.00 0.00 175.10 175.34 2pa6 n GLU 263 N 3.73 -2.65 -1.33 2.72 1.02 -1.26 -1.04 120.64 121.83 2pa6 n GLU 263 Ca -0.19 0.33 -0.11 0.00 -0.02 0.00 0.00 57.16 57.17 2pa6 n GLU 263 Cb 0.52 -4.27 -0.05 0.00 -0.02 0.00 0.00 31.44 27.63 2pa6 n GLU 263 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pa6 n GLY 264 N -2.11 1.24 3.21 0.62 0.00 -1.26 -5.01 105.19 101.89 2pa6 n GLY 264 Ca -0.31 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 2pa6 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa6 s LYS 265 N -2.89 0.93 -0.36 1.61 1.02 -0.21 -5.12 119.74 114.72 2pa6 s LYS 265 Ca 0.00 -1.11 -0.14 0.00 0.02 0.00 0.00 55.97 54.74 2pa6 s LYS 265 Cb 0.00 -0.87 -0.00 0.00 -0.52 0.00 0.00 37.83 36.44 2pa6 s LYS 265 CO 0.00 0.18 0.26 0.15 -0.92 0.00 0.00 175.35 175.02 2pa6 s LYS 266 N -2.25 3.30 0.03 1.68 1.02 -1.26 -1.42 119.74 120.84 2pa6 s LYS 266 Ca 0.04 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.30 2pa6 s LYS 266 Cb -0.07 -3.86 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 2pa6 s LYS 266 CO 0.03 -0.56 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.27 2pa6 s LEU 267 N 1.70 2.90 0.78 3.17 1.43 0.68 -4.91 118.68 124.45 2pa6 s LEU 267 Ca 0.06 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 2pa6 s LEU 267 Cb -0.18 -1.69 0.12 0.00 0.03 0.00 0.00 46.19 44.47 2pa6 s LEU 267 CO 0.10 0.26 1.10 0.42 0.23 0.00 0.00 176.35 178.46 2pa6 s THR 268 N -1.00 2.16 0.16 5.49 -4.23 -1.26 -0.54 115.64 116.42 2pa6 s THR 268 Ca 0.17 -0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.27 2pa6 s THR 268 Cb -0.11 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.88 2pa6 s THR 268 CO 0.07 0.00 1.76 -0.09 -0.54 0.00 0.00 174.62 175.82 2pa6 h ARG 269 N -0.89 0.32 -0.93 3.99 2.43 -1.99 -1.13 114.38 116.18 2pa6 h ARG 269 Ca -0.43 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.75 2pa6 h ARG 269 Cb 1.28 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.71 2pa6 h ARG 269 CO 0.50 0.21 0.61 1.49 -1.51 0.00 0.00 179.97 181.27 2pa6 h GLU 270 N 0.33 1.17 -0.43 0.20 4.57 -1.99 0.13 114.58 118.56 2pa6 h GLU 270 Ca 0.19 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.18 2pa6 h GLU 270 Cb 0.15 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2pa6 h GLU 270 CO -0.18 0.77 -0.19 0.93 -1.18 0.00 0.00 179.01 179.17 2pa6 h GLU 271 N 1.21 0.85 -0.22 1.92 5.08 -1.81 -1.71 114.58 119.89 2pa6 h GLU 271 Ca 0.36 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2pa6 h GLU 271 Cb -0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2pa6 h GLU 271 CO -0.10 0.97 -0.41 1.25 -1.00 0.00 0.00 179.01 179.72 2pa6 h LEU 272 N 0.75 0.54 -0.60 1.33 5.85 -0.71 -1.34 115.31 121.12 2pa6 h LEU 272 Ca 0.11 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2pa6 h LEU 272 Cb 0.72 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2pa6 h LEU 272 CO 0.06 0.88 0.29 0.25 -0.34 0.00 0.00 178.44 179.58 2pa6 h LEU 273 N 0.42 0.78 -1.13 2.25 5.85 -0.68 0.31 115.31 123.11 2pa6 h LEU 273 Ca 0.04 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 2pa6 h LEU 273 Cb 0.89 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2pa6 h LEU 273 CO 0.08 0.69 -0.43 0.44 -0.34 0.00 0.00 178.44 178.88 2pa6 h ASP 274 N 0.82 0.01 -0.23 1.25 3.32 -1.13 0.03 116.42 120.49 2pa6 h ASP 274 Ca 0.21 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2pa6 h ASP 274 Cb 0.11 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2pa6 h ASP 274 CO -0.03 0.44 0.11 0.22 -1.72 0.00 0.00 179.24 178.27 2pa6 h TYR 275 N 0.01 0.32 -0.51 4.55 3.20 -0.24 -1.10 116.97 123.20 2pa6 h TYR 275 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 2pa6 h TYR 275 Cb 0.77 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 2pa6 h TYR 275 CO 0.00 0.31 0.06 1.88 -1.64 0.00 0.00 178.16 178.77 2pa6 h TYR 276 N 0.24 0.93 -0.66 -3.82 0.05 -0.57 -2.77 116.97 110.38 2pa6 h TYR 276 Ca 0.08 -0.14 0.07 0.00 0.05 0.00 0.00 58.73 58.79 2pa6 h TYR 276 Cb 0.11 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 37.54 2pa6 h TYR 276 CO -0.03 0.85 0.34 0.87 -1.05 0.00 0.00 178.16 179.15 2pa6 h LYS 277 N 0.74 0.60 -0.56 4.88 1.57 -0.67 -1.28 116.57 121.85 2pa6 h LYS 277 Ca 0.15 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2pa6 h LYS 277 Cb 0.44 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2pa6 h LYS 277 CO 0.02 0.40 0.26 0.00 -0.57 0.00 0.00 179.45 179.56 2pa6 h ALA 278 N 1.37 0.72 -0.61 3.86 0.00 -1.08 -1.37 119.26 122.15 2pa6 h ALA 278 Ca 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2pa6 h ALA 278 Cb 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2pa6 h ALA 278 CO -0.21 0.29 0.33 -0.07 0.00 0.00 0.00 179.25 179.60 2pa6 h LEU 279 N 0.76 0.77 -1.40 0.00 3.38 -1.14 -1.10 115.31 116.57 2pa6 h LEU 279 Ca 0.19 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2pa6 h LEU 279 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2pa6 h LEU 279 CO -0.02 0.64 -0.29 0.58 0.09 0.00 0.00 178.44 179.44 2pa6 h VAL 280 N 0.83 1.21 0.00 1.22 2.07 -1.03 0.95 116.25 121.51 2pa6 h VAL 280 Ca 0.22 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 2pa6 h VAL 280 Cb 0.05 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2pa6 h VAL 280 CO -0.03 0.29 -0.29 0.44 0.02 0.00 0.00 177.57 177.99 2pa6 h ASP 281 N 0.01 0.00 0.21 0.57 3.32 -0.55 -3.32 116.42 116.66 2pa6 h ASP 281 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2pa6 h ASP 281 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2pa6 h ASP 281 CO 0.04 0.29 -1.89 -0.62 -1.72 0.00 0.00 179.24 175.34 2pa6 n GLU 282 N -3.23 0.65 -4.19 3.56 1.02 -0.48 -5.00 120.64 112.98 2pa6 n GLU 282 Ca 0.02 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 2pa6 n GLU 282 Cb 0.60 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.32 2pa6 n GLU 282 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2pa6 s TYR 283 N -3.21 1.06 -1.24 -0.32 2.02 0.27 -5.05 117.35 110.88 2pa6 s TYR 283 Ca -0.07 -0.75 -0.08 0.00 -0.37 0.00 0.00 57.07 55.80 2pa6 s TYR 283 Cb 0.11 -0.58 -0.10 0.00 -0.40 0.00 0.00 41.96 41.00 2pa6 s TYR 283 CO 0.87 -0.02 2.78 -0.35 -1.57 0.00 0.00 175.55 177.26 2pa6 n PRO 284 N 0.20 3.05 -2.83 -1.71 -0.04 -1.26 -4.52 135.00 127.89 2pa6 n PRO 284 Ca -0.13 -1.84 -0.42 0.00 -0.04 0.00 0.00 63.50 61.06 2pa6 n PRO 284 Cb 0.59 -2.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 2pa6 n PRO 284 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2pa6 s ILE 285 N 2.37 4.63 -1.56 0.52 1.01 -1.26 -0.77 121.20 126.15 2pa6 s ILE 285 Ca 0.61 1.23 0.19 0.00 0.00 0.00 0.00 60.65 62.68 2pa6 s ILE 285 Cb 0.17 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 2pa6 s ILE 285 CO -0.05 -0.47 0.93 1.33 0.00 0.00 0.00 174.94 176.69 2pa6 n VAL 286 N 5.87 0.00 -3.67 2.92 0.24 0.11 -4.93 118.33 118.86 2pa6 n VAL 286 Ca 0.07 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 2pa6 n VAL 286 Cb 0.48 1.17 -0.08 0.00 -1.47 0.00 0.00 33.84 33.94 2pa6 n VAL 286 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2pa6 s SER 287 N -2.34 -0.62 -0.08 -1.34 0.15 -1.24 -1.89 113.70 106.33 2pa6 s SER 287 Ca 0.14 1.18 -0.01 0.00 0.70 0.00 0.00 55.95 57.96 2pa6 s SER 287 Cb 0.15 1.18 0.03 0.00 -1.71 0.00 0.00 66.02 65.67 2pa6 s SER 287 CO 0.56 -0.20 -0.03 -0.63 1.20 0.00 0.00 173.24 174.13 2pa6 s ILE 288 N 0.42 0.66 -0.11 6.45 1.01 -0.42 -0.59 121.20 128.60 2pa6 s ILE 288 Ca -0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 2pa6 s ILE 288 Cb -0.04 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 2pa6 s ILE 288 CO -0.01 0.30 0.25 -0.70 0.00 0.00 0.00 174.94 174.78 2pa6 s GLU 289 N 1.75 3.88 -1.10 2.79 2.12 0.13 -0.87 118.70 127.39 2pa6 s GLU 289 Ca 0.03 0.06 -0.23 0.00 0.36 0.00 0.00 54.97 55.19 2pa6 s GLU 289 Cb -0.13 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 30.99 2pa6 s GLU 289 CO -0.06 0.54 0.71 -0.25 -0.54 0.00 0.00 175.26 175.66 2pa6 n ASP 290 N 2.58 -4.79 0.25 -1.70 8.00 -0.04 -0.73 116.55 120.13 2pa6 n ASP 290 Ca -0.16 -1.11 0.11 0.00 0.71 0.00 0.00 54.79 54.35 2pa6 n ASP 290 Cb 0.53 -2.33 0.66 0.00 -0.02 0.00 0.00 41.12 39.95 2pa6 n ASP 290 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2pa6 h PRO 291 N -1.88 0.00 -5.10 -0.24 0.13 -1.83 -2.08 132.00 121.00 2pa6 h PRO 291 Ca -0.66 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 63.97 2pa6 h PRO 291 Cb 1.38 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.37 2pa6 h PRO 291 CO 0.47 0.15 -0.57 -0.06 -0.23 0.00 0.00 178.00 177.77 2pa6 s PHE 292 N -4.11 1.84 0.73 1.56 0.08 -1.26 -4.63 117.98 112.17 2pa6 s PHE 292 Ca -0.02 -1.13 -0.15 0.00 0.12 0.00 0.00 56.93 55.75 2pa6 s PHE 292 Cb 0.13 -1.19 0.04 0.00 -0.57 0.00 0.00 43.02 41.42 2pa6 s PHE 292 CO 0.60 -0.16 1.20 -3.38 -0.10 0.00 0.00 175.22 173.38 2pa6 s HIS 293 N -3.30 2.08 -0.86 0.36 -3.43 -1.26 -4.28 115.29 104.60 2pa6 s HIS 293 Ca 0.30 1.60 0.00 0.00 -0.80 0.00 0.00 55.06 56.16 2pa6 s HIS 293 Cb 0.06 -3.45 0.00 0.00 -1.43 0.00 0.00 32.58 27.75 2pa6 s HIS 293 CO 0.15 -2.56 0.57 -0.85 -2.00 0.00 0.00 174.74 170.05 2pa6 n GLU 294 N -2.70 0.00 0.00 -0.38 0.28 -1.26 -1.32 120.64 115.26 2pa6 n GLU 294 Ca 0.13 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 2pa6 n GLU 294 Cb 0.50 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.76 2pa6 n GLU 294 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2pa6 n GLU 295 N -1.07 0.45 -1.90 3.44 -0.58 -1.26 -4.40 120.64 115.33 2pa6 n GLU 295 Ca 0.00 -0.35 -0.41 0.00 -0.42 0.00 0.00 57.16 55.97 2pa6 n GLU 295 Cb 0.11 -0.84 -0.00 0.00 -0.57 0.00 0.00 31.44 30.14 2pa6 n GLU 295 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2pa6 n ASP 296 N -0.17 5.56 -0.36 1.62 2.03 -0.43 -4.72 116.55 120.07 2pa6 n ASP 296 Ca 0.00 -2.93 0.01 0.00 0.52 0.00 0.00 54.79 52.40 2pa6 n ASP 296 Cb 0.03 -1.55 0.15 0.00 -0.72 0.00 0.00 41.12 39.03 2pa6 n ASP 296 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2pa6 h PHE 297 N 5.58 1.19 -0.56 -0.67 -1.00 -1.90 -1.82 116.94 117.77 2pa6 h PHE 297 Ca 0.58 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.38 2pa6 h PHE 297 Cb 0.54 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 2pa6 h PHE 297 CO 1.47 0.65 0.33 1.49 -1.61 0.00 0.00 178.31 180.64 2pa6 h GLU 298 N 1.20 0.76 -0.73 1.51 4.81 -1.96 -1.31 114.58 118.87 2pa6 h GLU 298 Ca 0.41 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2pa6 h GLU 298 Cb 0.09 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2pa6 h GLU 298 CO -0.15 0.56 0.47 0.78 -0.73 0.00 0.00 179.01 179.94 2pa6 h GLY 299 N 0.75 1.04 1.01 1.92 0.00 -1.77 -0.94 103.07 105.08 2pa6 h GLY 299 Ca 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2pa6 h GLY 299 CO -0.04 0.33 0.39 0.74 0.00 0.00 0.00 176.54 177.96 2pa6 h PHE 300 N 0.94 1.00 -0.80 5.60 -1.00 -0.90 -2.04 116.94 119.73 2pa6 h PHE 300 Ca 0.28 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.00 2pa6 h PHE 300 Cb -0.05 -0.32 -0.04 0.00 3.61 0.00 0.00 35.95 39.16 2pa6 h PHE 300 CO -0.03 0.71 0.36 0.00 -1.61 0.00 0.00 178.31 177.74 2pa6 h ALA 301 N 1.20 1.13 0.10 2.45 0.00 -0.64 -0.91 119.26 122.59 2pa6 h ALA 301 Ca 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pa6 h ALA 301 Cb 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2pa6 h ALA 301 CO -0.04 0.65 -0.05 0.52 0.00 0.00 0.00 179.25 180.33 2pa6 h MET 302 N 1.15 -0.13 -0.03 0.00 2.86 -0.77 -1.16 114.93 116.85 2pa6 h MET 302 Ca 0.27 0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.82 2pa6 h MET 302 Cb 0.15 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2pa6 h MET 302 CO -0.03 0.04 -0.46 0.97 1.06 0.00 0.00 176.91 178.49 2pa6 h ILE 303 N -0.27 1.33 -0.42 -1.22 2.10 -1.29 0.47 117.51 118.21 2pa6 h ILE 303 Ca -0.01 -1.59 -0.11 0.00 1.08 0.00 0.00 64.86 64.22 2pa6 h ILE 303 Cb 0.22 1.82 -0.02 0.00 -1.09 0.00 0.00 36.82 37.76 2pa6 h ILE 303 CO 0.02 0.46 -0.18 0.74 -1.08 0.00 0.00 178.15 178.11 2pa6 h THR 304 N 0.06 1.27 0.13 2.19 2.02 -1.04 -0.71 112.91 116.83 2pa6 h THR 304 Ca 0.00 -1.29 -0.28 0.00 0.77 0.00 0.00 66.41 65.61 2pa6 h THR 304 Cb 0.83 1.13 0.03 0.00 -1.74 0.00 0.00 68.15 68.41 2pa6 h THR 304 CO 0.06 0.44 -1.17 0.50 0.37 0.00 0.00 175.52 175.72 2pa6 h LYS 305 N 0.72 0.55 -0.23 6.66 3.64 -0.92 -3.37 116.57 123.63 2pa6 h LYS 305 Ca 0.11 -0.78 -0.16 0.00 -1.27 0.00 0.00 60.65 58.56 2pa6 h LYS 305 Cb 0.69 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2pa6 h LYS 305 CO 0.05 1.35 -0.46 1.49 -2.27 0.00 0.00 179.45 179.61 2pa6 h GLU 306 N 0.14 0.72 -6.48 1.90 4.81 -0.86 -3.45 114.58 111.36 2pa6 h GLU 306 Ca -0.18 -0.47 -0.49 0.00 -0.13 0.00 0.00 59.36 58.09 2pa6 h GLU 306 Cb 1.87 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.31 2pa6 h GLU 306 CO 0.22 1.09 -0.21 -0.51 -0.73 0.00 0.00 179.01 178.88 2pa6 s LEU 307 N -8.75 4.05 -0.49 1.64 1.43 -0.28 -5.02 118.68 111.26 2pa6 s LEU 307 Ca -0.12 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 2pa6 s LEU 307 Cb 0.08 -3.31 0.44 0.00 0.03 0.00 0.00 46.19 43.43 2pa6 s LEU 307 CO 0.85 -0.25 1.54 -0.67 0.23 0.00 0.00 176.35 178.06 2pa6 n ASP 308 N -1.56 6.08 -3.39 2.29 2.03 -1.26 -4.76 116.55 115.97 2pa6 n ASP 308 Ca -0.05 -3.77 -0.20 0.00 0.52 0.00 0.00 54.79 51.30 2pa6 n ASP 308 Cb 0.56 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 40.27 2pa6 n ASP 308 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2pa6 n ILE 309 N -0.73 0.00 -2.84 5.18 -5.35 -1.26 -5.12 119.36 109.23 2pa6 n ILE 309 Ca 0.51 -1.69 -0.40 0.00 -0.27 0.00 0.00 62.75 60.89 2pa6 n ILE 309 Cb 0.75 0.53 -0.05 0.00 -1.74 0.00 0.00 39.64 39.13 2pa6 n ILE 309 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2pa6 s GLN 310 N -3.16 4.61 -0.25 6.28 0.74 -0.80 -4.97 119.66 122.11 2pa6 s GLN 310 Ca 0.10 1.28 0.02 0.00 0.05 0.00 0.00 55.36 56.81 2pa6 s GLN 310 Cb 0.00 -3.37 0.06 0.00 1.10 0.00 0.00 33.01 30.80 2pa6 s GLN 310 CO 0.07 0.26 -0.11 0.42 -0.55 0.00 0.00 175.29 175.38 2pa6 s ILE 311 N -0.07 2.01 -0.12 -2.34 -1.09 -1.26 -1.30 121.20 117.03 2pa6 s ILE 311 Ca 0.43 -1.48 -0.15 0.00 -2.23 0.00 0.00 60.65 57.22 2pa6 s ILE 311 Cb -0.22 -2.13 -0.05 0.00 -1.58 0.00 0.00 42.46 38.48 2pa6 s ILE 311 CO 0.27 0.01 0.36 -0.69 -1.23 0.00 0.00 174.94 173.66 2pa6 s VAL 312 N 1.18 5.24 -0.30 2.92 1.01 -0.05 -1.13 120.40 129.27 2pa6 s VAL 312 Ca -0.07 0.71 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 2pa6 s VAL 312 Cb -0.19 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2pa6 s VAL 312 CO -0.06 0.40 0.32 -0.83 0.00 0.00 0.00 175.10 174.93 2pa6 s GLY 313 N 0.26 1.91 0.00 4.51 0.00 -0.28 -0.86 107.32 112.85 2pa6 s GLY 313 Ca 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2pa6 s GLY 313 CO 0.07 0.89 0.00 1.34 0.00 0.00 0.00 173.10 175.40 2pa6 n ASP 314 N 5.27 0.00 0.28 1.64 2.03 -1.26 -2.12 116.55 122.38 2pa6 n ASP 314 Ca -0.10 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.35 2pa6 n ASP 314 Cb 0.50 0.00 0.79 0.00 -0.72 0.00 0.00 41.12 41.70 2pa6 n ASP 314 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2pa6 h ASP 315 N 0.00 0.00 -0.67 1.67 3.32 -1.95 0.43 116.42 119.22 2pa6 h ASP 315 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2pa6 h ASP 315 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2pa6 h ASP 315 CO 0.00 0.09 0.34 0.25 -1.72 0.00 0.00 179.24 178.19 2pa6 h LEU 316 N 0.00 0.89 0.00 1.55 5.85 -1.85 -3.31 115.31 118.43 2pa6 h LEU 316 Ca -0.00 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.46 2pa6 h LEU 316 Cb 0.31 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2pa6 h LEU 316 CO 0.01 0.75 -1.77 0.49 -0.34 0.00 0.00 178.44 177.58 2pa6 n PHE 317 N -4.34 0.00 -4.41 1.25 3.72 -0.80 -4.92 117.46 107.97 2pa6 n PHE 317 Ca 0.07 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.10 2pa6 n PHE 317 Cb 0.13 -0.52 -0.09 0.00 -0.94 0.00 0.00 39.48 38.06 2pa6 n PHE 317 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2pa6 n VAL 318 N -2.33 -0.63 -4.20 -4.37 0.24 0.14 -0.41 118.33 106.78 2pa6 n VAL 318 Ca -0.15 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.34 61.52 2pa6 n VAL 318 Cb 0.76 -0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 32.25 2pa6 n VAL 318 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2pa6 n THR 319 N -4.35 -1.15 -3.86 3.34 -1.04 -1.26 -4.58 114.28 101.38 2pa6 n THR 319 Ca -0.12 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.05 61.51 2pa6 n THR 319 Cb 0.58 -1.79 -0.14 0.00 -1.82 0.00 0.00 70.33 67.17 2pa6 n THR 319 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2pa6 s ASN 320 N -3.32 4.59 0.20 8.00 3.84 0.45 -4.46 114.94 124.24 2pa6 s ASN 320 Ca 0.72 -0.52 -0.11 0.00 0.21 0.00 0.00 52.86 53.17 2pa6 s ASN 320 Cb -0.39 -1.78 0.27 0.00 -0.55 0.00 0.00 41.25 38.80 2pa6 s ASN 320 CO 0.92 -0.08 1.69 0.58 -2.79 0.00 0.00 177.10 177.43 2pa6 h VAL 321 N 5.79 0.62 -0.62 -5.21 2.07 -1.92 -0.51 116.25 116.47 2pa6 h VAL 321 Ca -0.37 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.13 2pa6 h VAL 321 Cb 1.15 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2pa6 h VAL 321 CO 0.60 0.04 0.33 -0.08 0.02 0.00 0.00 177.57 178.47 2pa6 h GLU 322 N 0.21 0.59 -0.23 1.57 4.81 -1.95 0.21 114.58 119.78 2pa6 h GLU 322 Ca 0.30 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.35 2pa6 h GLU 322 Cb 0.45 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2pa6 h GLU 322 CO -0.42 0.39 -0.45 0.00 -0.73 0.00 0.00 179.01 177.80 2pa6 h ARG 323 N 0.60 0.58 -0.56 1.92 3.08 -1.69 -2.15 114.38 116.16 2pa6 h ARG 323 Ca 0.28 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2pa6 h ARG 323 Cb 0.20 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2pa6 h ARG 323 CO -0.19 0.92 0.16 1.25 -1.07 0.00 0.00 179.97 181.03 2pa6 h LEU 324 N 0.47 0.84 -0.67 3.04 5.85 -0.45 -0.74 115.31 123.65 2pa6 h LEU 324 Ca 0.03 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2pa6 h LEU 324 Cb 0.97 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2pa6 h LEU 324 CO 0.09 0.84 0.39 -0.09 -0.34 0.00 0.00 178.44 179.33 2pa6 h ARG 325 N 0.79 0.91 -0.76 1.25 2.43 -0.47 0.22 114.38 118.75 2pa6 h ARG 325 Ca 0.18 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2pa6 h ARG 325 Cb 0.31 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2pa6 h ARG 325 CO -0.00 0.66 0.35 -0.22 -1.51 0.00 0.00 179.97 179.25 2pa6 h LYS 326 N 0.91 1.11 -0.56 0.20 3.64 -1.09 -1.71 116.57 119.07 2pa6 h LYS 326 Ca 0.24 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2pa6 h LYS 326 Cb -0.01 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2pa6 h LYS 326 CO -0.04 0.88 0.23 0.78 -2.27 0.00 0.00 179.45 179.02 2pa6 h GLY 327 N 1.08 0.89 1.00 5.01 0.00 -0.36 -2.22 103.07 108.46 2pa6 h GLY 327 Ca 0.26 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2pa6 h GLY 327 CO -0.03 0.45 0.38 -2.22 0.00 0.00 0.00 176.54 175.12 2pa6 h ILE 328 N 0.76 1.19 -0.13 2.60 2.04 -0.64 0.28 117.51 123.61 2pa6 h ILE 328 Ca 0.19 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 2pa6 h ILE 328 Cb 0.19 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2pa6 h ILE 328 CO -0.02 0.20 -0.19 -0.33 0.00 0.00 0.00 178.15 177.82 2pa6 h GLU 329 N 0.87 0.21 -0.02 2.37 5.08 -1.13 -2.62 114.58 119.34 2pa6 h GLU 329 Ca 0.23 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2pa6 h GLU 329 Cb -0.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2pa6 h GLU 329 CO -0.04 0.40 -0.05 -1.33 -1.00 0.00 0.00 179.01 176.99 2pa6 n MET 330 N -4.23 1.85 -3.22 2.33 2.81 -0.85 -4.94 117.12 110.86 2pa6 n MET 330 Ca -0.01 -1.32 -0.23 0.00 -1.81 0.00 0.00 57.70 54.33 2pa6 n MET 330 Cb 0.30 -1.47 0.05 0.00 -0.71 0.00 0.00 33.22 31.39 2pa6 n MET 330 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2pa6 n LYS 331 N 0.58 -5.85 -3.12 0.03 5.02 0.07 -4.74 118.16 110.14 2pa6 n LYS 331 Ca 0.16 0.88 -0.42 0.00 -2.02 0.00 0.00 58.31 56.91 2pa6 n LYS 331 Cb 0.46 -5.80 -0.07 0.00 -0.02 0.00 0.00 35.03 29.60 2pa6 n LYS 331 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pa6 s ALA 332 N -3.22 3.47 0.25 7.82 0.00 0.77 -4.20 121.76 126.64 2pa6 s ALA 332 Ca 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2pa6 s ALA 332 Cb -0.18 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2pa6 s ALA 332 CO 0.49 -1.29 0.00 0.00 0.00 0.00 0.00 175.76 174.96 2pa6 n ALA 333 N 5.99 -1.96 -2.09 0.00 0.00 -1.25 -4.55 120.51 116.66 2pa6 n ALA 333 Ca -0.02 0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.79 2pa6 n ALA 333 Cb 0.49 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2pa6 n ALA 333 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2pa6 n ASN 334 N -3.42 0.17 -3.62 0.00 0.23 -0.28 -4.94 115.26 103.39 2pa6 n ASN 334 Ca -0.02 -1.95 -0.15 0.00 -0.53 0.00 0.00 54.58 51.93 2pa6 n ASN 334 Cb 0.35 -0.20 -0.07 0.00 -2.08 0.00 0.00 39.78 37.77 2pa6 n ASN 334 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pa6 s ALA 335 N 0.00 -1.48 -0.15 -2.53 0.00 -0.99 -0.81 121.76 115.81 2pa6 s ALA 335 Ca 0.06 1.29 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 2pa6 s ALA 335 Cb 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2pa6 s ALA 335 CO -0.03 -0.32 -0.07 -1.17 0.00 0.00 0.00 175.76 174.17 2pa6 s LEU 336 N -0.62 3.03 -0.41 0.00 2.96 0.26 -1.13 118.68 122.77 2pa6 s LEU 336 Ca -0.07 -0.21 -0.22 0.00 -0.22 0.00 0.00 54.13 53.40 2pa6 s LEU 336 Cb -0.03 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.97 2pa6 s LEU 336 CO 0.05 0.16 0.75 -0.22 -1.32 0.00 0.00 176.35 175.77 2pa6 s LEU 337 N 0.39 4.24 -0.43 -0.68 2.96 -0.90 -0.58 118.68 123.67 2pa6 s LEU 337 Ca -0.07 0.04 -0.20 0.00 -0.22 0.00 0.00 54.13 53.68 2pa6 s LEU 337 Cb -0.15 -2.93 0.02 0.00 0.50 0.00 0.00 46.19 43.63 2pa6 s LEU 337 CO 0.04 -0.80 0.61 -0.22 -1.32 0.00 0.00 176.35 174.66 2pa6 s LEU 338 N 3.10 4.56 -0.37 -0.68 2.96 0.61 -4.46 118.68 124.40 2pa6 s LEU 338 Ca 0.29 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2pa6 s LEU 338 Cb -0.13 -2.67 0.09 0.00 0.50 0.00 0.00 46.19 43.98 2pa6 s LEU 338 CO 0.19 -0.74 0.14 -0.54 -1.32 0.00 0.00 176.35 174.08 2pa6 s LYS 339 N 2.70 2.18 0.38 1.98 1.02 -1.26 -1.15 119.74 125.59 2pa6 s LYS 339 Ca 0.21 -1.61 0.12 0.00 0.02 0.00 0.00 55.97 54.72 2pa6 s LYS 339 Cb -0.15 -3.47 0.93 0.00 -0.52 0.00 0.00 37.83 34.62 2pa6 s LYS 339 CO 0.18 -0.91 1.85 -0.39 -0.92 0.00 0.00 175.35 175.16 2pa6 h VAL 340 N 6.37 0.75 0.00 3.17 -1.51 -1.95 -0.44 116.25 122.64 2pa6 h VAL 340 Ca -0.16 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2pa6 h VAL 340 Cb 1.05 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 2pa6 h VAL 340 CO 0.65 0.10 0.00 -0.46 -1.23 0.00 0.00 177.57 176.63 2pa6 n ASN 341 N -4.56 0.00 0.06 4.19 6.94 -1.26 -1.80 115.26 118.83 2pa6 n ASN 341 Ca 0.19 -0.75 0.12 0.00 -0.02 0.00 0.00 54.58 54.12 2pa6 n ASN 341 Cb 0.58 -0.08 0.17 0.00 -2.36 0.00 0.00 39.78 38.09 2pa6 n ASN 341 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pa6 n GLN 342 N -1.08 0.30 -0.06 -3.83 6.02 -0.17 -4.38 117.38 114.17 2pa6 n GLN 342 Ca 0.21 0.09 -0.09 0.00 -0.01 0.00 0.00 57.00 57.20 2pa6 n GLN 342 Cb 0.15 -1.69 -0.06 0.00 1.02 0.00 0.00 30.24 29.66 2pa6 n GLN 342 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2pa6 n ILE 343 N -2.12 0.71 0.00 5.09 3.06 -1.03 0.16 119.36 125.22 2pa6 n ILE 343 Ca 0.03 -0.27 0.00 0.00 -2.50 0.00 0.00 62.75 60.01 2pa6 n ILE 343 Cb 0.44 -0.97 0.00 0.00 0.54 0.00 0.00 39.64 39.66 2pa6 n ILE 343 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2pa6 n GLY 344 N 2.88 0.55 3.14 4.50 0.00 -0.74 -4.69 105.19 110.84 2pa6 n GLY 344 Ca -0.22 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2pa6 n GLY 344 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pa6 s THR 345 N -0.92 0.55 0.14 2.61 -4.23 -1.26 -2.41 115.64 110.12 2pa6 s THR 345 Ca 0.00 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.48 2pa6 s THR 345 Cb 0.00 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 72.24 2pa6 s THR 345 CO 0.00 -0.90 1.69 -0.07 -0.54 0.00 0.00 174.62 174.80 2pa6 h LEU 346 N 3.04 0.63 -0.35 4.79 3.38 -1.91 -1.44 115.31 123.45 2pa6 h LEU 346 Ca -0.35 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.51 2pa6 h LEU 346 Cb 1.16 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 2pa6 h LEU 346 CO 0.65 0.63 0.01 0.28 0.09 0.00 0.00 178.44 180.10 2pa6 h SER 347 N 0.59 -0.11 -0.46 -0.43 0.02 -1.96 -0.37 113.55 110.83 2pa6 h SER 347 Ca 0.15 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 2pa6 h SER 347 Cb 0.19 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2pa6 h SER 347 CO -0.01 -0.02 -0.05 -0.33 -1.14 0.00 0.00 176.83 175.28 2pa6 h GLU 348 N 0.12 0.84 -0.46 3.45 5.08 -1.93 -1.61 114.58 120.07 2pa6 h GLU 348 Ca 0.17 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2pa6 h GLU 348 Cb 0.23 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2pa6 h GLU 348 CO -0.28 0.91 0.29 0.00 -1.00 0.00 0.00 179.01 178.94 2pa6 h ALA 349 N 0.89 0.58 -0.14 3.43 0.00 -0.84 0.52 119.26 123.71 2pa6 h ALA 349 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2pa6 h ALA 349 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2pa6 h ALA 349 CO 0.03 0.00 -0.46 0.28 0.00 0.00 0.00 179.25 179.11 2pa6 h VAL 350 N 0.59 1.32 -0.68 0.00 2.07 -1.04 -0.77 116.25 117.75 2pa6 h VAL 350 Ca 0.17 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 65.98 2pa6 h VAL 350 Cb -0.04 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2pa6 h VAL 350 CO -0.05 0.50 0.13 0.44 0.02 0.00 0.00 177.57 178.61 2pa6 h ASP 351 N 0.28 1.05 -0.47 0.57 3.32 -0.77 -0.06 116.42 120.34 2pa6 h ASP 351 Ca 0.02 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 2pa6 h ASP 351 Cb 0.91 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2pa6 h ASP 351 CO 0.08 1.02 0.06 0.00 -1.72 0.00 0.00 179.24 178.68 2pa6 h ALA 352 N 1.10 0.62 -0.48 3.45 0.00 -0.54 -1.46 119.26 121.96 2pa6 h ALA 352 Ca 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pa6 h ALA 352 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2pa6 h ALA 352 CO 0.01 0.36 0.28 0.00 0.00 0.00 0.00 179.25 179.90 2pa6 h ALA 353 N 0.95 0.61 -0.68 0.00 0.00 -0.82 -2.12 119.26 117.20 2pa6 h ALA 353 Ca 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2pa6 h ALA 353 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2pa6 h ALA 353 CO 0.01 0.10 0.32 1.96 0.00 0.00 0.00 179.25 181.65 2pa6 h GLN 354 N 0.63 0.98 -0.65 0.00 1.08 -0.82 0.77 115.11 117.10 2pa6 h GLN 354 Ca 0.17 -0.15 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2pa6 h GLN 354 Cb 0.01 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 2pa6 h GLN 354 CO -0.03 0.79 0.43 1.25 -0.95 0.00 0.00 178.83 180.31 2pa6 h LEU 355 N 0.95 0.75 0.61 1.46 5.85 -1.03 0.69 115.31 124.58 2pa6 h LEU 355 Ca 0.23 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2pa6 h LEU 355 Cb 0.13 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.98 2pa6 h LEU 355 CO -0.03 0.55 -0.29 0.00 -0.34 0.00 0.00 178.44 178.33 2pa6 h ALA 356 N 1.23 -0.82 -0.39 1.25 0.00 -1.02 -3.00 119.26 116.52 2pa6 h ALA 356 Ca 0.24 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2pa6 h ALA 356 Cb -0.10 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2pa6 h ALA 356 CO -0.05 -0.91 -0.19 0.74 0.00 0.00 0.00 179.25 178.84 2pa6 h PHE 357 N -0.92 -0.48 0.00 0.00 0.04 -0.63 -0.36 116.94 114.60 2pa6 h PHE 357 Ca -0.08 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2pa6 h PHE 357 Cb 0.66 0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.08 2pa6 h PHE 357 CO -0.01 -0.27 0.00 0.54 -0.60 0.00 0.00 178.31 177.97 2pa6 n ARG 358 N -5.37 0.06 -0.45 1.51 1.74 0.22 -1.62 116.66 112.75 2pa6 n ARG 358 Ca 0.02 0.27 0.05 0.00 -0.77 0.00 0.00 57.85 57.43 2pa6 n ARG 358 Cb 0.28 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.42 2pa6 n ARG 358 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pa6 n ASN 359 N -1.40 2.76 -0.04 0.55 4.13 -0.64 -4.96 115.26 115.67 2pa6 n ASN 359 Ca 0.03 -3.36 -0.00 0.00 1.68 0.00 0.00 54.58 52.92 2pa6 n ASN 359 Cb 0.09 -0.53 -0.00 0.00 -1.54 0.00 0.00 39.78 37.80 2pa6 n ASN 359 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pa6 n GLY 360 N -1.03 0.45 3.86 7.41 0.00 -0.64 -5.03 105.19 110.22 2pa6 n GLY 360 Ca 0.23 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2pa6 n GLY 360 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pa6 s TYR 361 N -1.88 3.50 0.59 1.61 1.51 -0.24 -4.90 117.35 117.53 2pa6 s TYR 361 Ca 0.00 0.98 -0.07 0.00 -1.01 0.00 0.00 57.07 56.97 2pa6 s TYR 361 Cb 0.00 -2.33 -0.00 0.00 -0.11 0.00 0.00 41.96 39.52 2pa6 s TYR 361 CO 0.00 0.33 0.91 0.20 -1.11 0.00 0.00 175.55 175.88 2pa6 s GLY 362 N -2.07 1.59 -0.10 0.71 0.00 0.01 -3.67 107.32 103.80 2pa6 s GLY 362 Ca 0.44 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.58 2pa6 s GLY 362 CO 0.20 -0.31 -0.08 0.14 0.00 0.00 0.00 173.10 173.05 2pa6 s VAL 363 N -3.00 0.99 -0.39 1.40 1.01 -1.26 -0.58 120.40 118.56 2pa6 s VAL 363 Ca 0.53 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 2pa6 s VAL 363 Cb -0.11 -0.99 0.06 0.00 0.00 0.00 0.00 36.38 35.34 2pa6 s VAL 363 CO 0.46 0.35 0.22 -0.69 0.00 0.00 0.00 175.10 175.44 2pa6 s VAL 364 N 1.47 4.18 -0.04 2.92 1.01 0.25 -4.44 120.40 125.74 2pa6 s VAL 364 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 2pa6 s VAL 364 Cb -0.13 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2pa6 s VAL 364 CO -0.05 -0.40 1.42 -0.69 0.00 0.00 0.00 175.10 175.38 2pa6 s VAL 365 N 1.44 3.81 0.16 2.92 1.01 -1.15 -0.28 120.40 128.30 2pa6 s VAL 365 Ca 0.02 1.11 0.11 0.00 0.00 0.00 0.00 61.98 63.22 2pa6 s VAL 365 Cb -0.22 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2pa6 s VAL 365 CO 0.03 -0.04 -0.23 -0.55 0.00 0.00 0.00 175.10 174.31 2pa6 s SER 366 N 2.18 3.50 0.75 3.32 0.15 -0.30 -0.66 113.70 122.64 2pa6 s SER 366 Ca 0.64 -0.77 -0.04 0.00 0.70 0.00 0.00 55.95 56.48 2pa6 s SER 366 Cb -0.30 -0.31 0.11 0.00 -1.71 0.00 0.00 66.02 63.82 2pa6 s SER 366 CO 0.25 0.15 0.73 0.00 1.20 0.00 0.00 173.24 175.57 2pa6 n HIS 367 N 0.53 -3.40 -4.42 3.44 1.44 -0.26 -4.68 115.22 107.87 2pa6 n HIS 367 Ca -0.15 -1.03 -0.21 0.00 -2.01 0.00 0.00 57.72 54.32 2pa6 n HIS 367 Cb 0.55 -0.55 -0.10 0.00 0.12 0.00 0.00 29.99 30.00 2pa6 n HIS 367 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2pa6 s ARG 368 N -4.43 1.54 0.23 -1.40 1.81 -1.26 -4.99 118.95 110.44 2pa6 s ARG 368 Ca 0.46 -1.74 -0.07 0.00 -1.72 0.00 0.00 55.73 52.66 2pa6 s ARG 368 Cb -0.02 -1.31 0.29 0.00 -0.45 0.00 0.00 34.95 33.46 2pa6 s ARG 368 CO 0.31 0.14 1.84 0.77 -0.68 0.00 0.00 175.30 177.69 2pa6 h SER 369 N 2.33 0.77 -3.16 0.23 0.02 -1.97 -3.30 113.55 108.47 2pa6 h SER 369 Ca -0.40 0.01 -0.75 0.00 -0.84 0.00 0.00 61.79 59.82 2pa6 h SER 369 Cb 1.24 -0.15 -0.23 0.00 0.14 0.00 0.00 62.40 63.40 2pa6 h SER 369 CO 0.65 0.50 -0.00 -0.83 -1.14 0.00 0.00 176.83 176.01 2pa6 s GLY 370 N -3.10 2.12 0.48 -3.77 0.00 -1.26 -4.76 107.32 97.03 2pa6 s GLY 370 Ca -0.13 -2.64 0.07 0.00 0.00 0.00 0.00 44.72 42.02 2pa6 s GLY 370 CO 0.78 1.36 0.57 1.18 0.00 0.00 0.00 173.10 176.99 2pa6 n GLU 371 N 5.33 0.71 -3.52 2.90 -0.58 -1.24 -0.74 120.64 123.50 2pa6 n GLU 371 Ca -0.05 -2.69 -0.13 0.00 -0.42 0.00 0.00 57.16 53.87 2pa6 n GLU 371 Cb 0.43 -0.05 -0.05 0.00 -0.57 0.00 0.00 31.44 31.20 2pa6 n GLU 371 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2pa6 n THR 372 N -1.91 0.00 1.39 2.62 -2.24 -1.26 0.01 114.28 112.89 2pa6 n THR 372 Ca 0.09 -1.63 0.13 0.00 -2.27 0.00 0.00 64.05 60.37 2pa6 n THR 372 Cb 0.51 0.85 0.70 0.00 -2.10 0.00 0.00 70.33 70.28 2pa6 n THR 372 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2pa6 n GLU 373 N -0.44 0.57 -2.12 -0.78 0.00 -1.26 -4.55 120.64 112.06 2pa6 n GLU 373 Ca 0.04 0.03 -0.41 0.00 0.00 0.00 0.00 57.16 56.82 2pa6 n GLU 373 Cb 0.43 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.34 2pa6 n GLU 373 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2pa6 s ASP 374 N -2.31 6.78 -0.13 -1.84 -1.08 -1.26 -4.94 116.67 111.88 2pa6 s ASP 374 Ca 0.31 2.65 0.17 0.00 -0.52 0.00 0.00 52.55 55.15 2pa6 s ASP 374 Cb 0.17 -2.64 0.32 0.00 -1.46 0.00 0.00 42.92 39.31 2pa6 s ASP 374 CO 0.35 -0.55 1.20 0.35 0.52 0.00 0.00 175.17 177.03 2pa6 n THR 375 N 1.23 1.87 -0.34 1.71 -2.24 -1.26 -4.81 114.28 110.44 2pa6 n THR 375 Ca 0.02 -2.04 0.15 0.00 -2.27 0.00 0.00 64.05 59.91 2pa6 n THR 375 Cb 0.42 -0.16 0.36 0.00 -2.10 0.00 0.00 70.33 68.85 2pa6 n THR 375 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2pa6 h THR 376 N 0.45 0.66 0.00 4.28 2.02 -1.94 -0.99 112.91 117.38 2pa6 h THR 376 Ca 0.00 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2pa6 h THR 376 Cb 1.05 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2pa6 h THR 376 CO 0.05 0.12 -0.02 0.16 0.37 0.00 0.00 175.52 176.20 2pa6 h ILE 377 N 0.68 0.16 0.23 3.11 3.07 -1.96 -0.09 117.51 122.70 2pa6 h ILE 377 Ca 0.59 -0.22 -0.01 0.00 1.55 0.00 0.00 64.86 66.77 2pa6 h ILE 377 Cb 1.03 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 2pa6 h ILE 377 CO -0.38 0.02 -0.11 0.00 -1.05 0.00 0.00 178.15 176.63 2pa6 h ALA 378 N 1.98 -0.31 -0.81 0.16 0.00 -1.51 -1.20 119.26 117.57 2pa6 h ALA 378 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2pa6 h ALA 378 Cb 0.18 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2pa6 h ALA 378 CO 0.00 -0.46 0.49 -0.44 0.00 0.00 0.00 179.25 178.84 2pa6 h ASP 379 N -0.72 0.96 -0.67 0.00 5.19 -1.47 -2.59 116.42 117.12 2pa6 h ASP 379 Ca -0.03 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 2pa6 h ASP 379 Cb 0.49 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 2pa6 h ASP 379 CO 0.05 0.74 0.34 0.25 -3.12 0.00 0.00 179.24 177.50 2pa6 h LEU 380 N 1.11 0.86 -1.22 1.55 5.85 -0.96 0.75 115.31 123.26 2pa6 h LEU 380 Ca 0.29 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2pa6 h LEU 380 Cb -0.05 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2pa6 h LEU 380 CO -0.06 0.74 0.34 0.77 -0.34 0.00 0.00 178.44 179.89 2pa6 h SER 381 N 0.92 0.79 0.02 1.25 4.64 -0.83 -0.66 113.55 119.67 2pa6 h SER 381 Ca 0.23 -0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 61.23 2pa6 h SER 381 Cb 0.09 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2pa6 h SER 381 CO -0.03 0.64 -1.05 0.58 -0.87 0.00 0.00 176.83 176.10 2pa6 h VAL 382 N 0.89 1.29 -0.88 0.95 2.07 -1.24 -1.39 116.25 117.93 2pa6 h VAL 382 Ca 0.23 -2.26 0.03 0.00 0.82 0.00 0.00 66.70 65.51 2pa6 h VAL 382 Cb 0.03 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 2pa6 h VAL 382 CO -0.04 0.70 0.58 0.00 0.02 0.00 0.00 177.57 178.83 2pa6 h ALA 383 N 0.38 1.43 -0.00 1.67 0.00 -0.47 -1.53 119.26 120.74 2pa6 h ALA 383 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2pa6 h ALA 383 Cb 1.71 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2pa6 h ALA 383 CO 0.21 0.49 -0.31 1.28 0.00 0.00 0.00 179.25 180.92 2pa6 n LEU 384 N -4.43 0.64 -3.95 0.00 4.77 -0.29 -4.19 117.00 109.55 2pa6 n LEU 384 Ca 0.11 -0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.77 2pa6 n LEU 384 Cb 0.08 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2pa6 n LEU 384 CO 0.35 0.13 -0.12 0.59 -1.33 0.00 0.00 177.39 177.02 2pa6 n ASN 385 N -1.11 -1.66 0.22 -1.43 3.02 -0.58 -4.83 115.26 108.89 2pa6 n ASN 385 Ca 0.09 -0.94 0.07 0.00 -0.03 0.00 0.00 54.58 53.78 2pa6 n ASN 385 Cb 0.33 -3.31 0.52 0.00 -0.61 0.00 0.00 39.78 36.72 2pa6 n ASN 385 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2pa6 h SER 386 N -1.82 0.00 0.00 6.41 4.64 -1.59 -3.44 113.55 117.74 2pa6 h SER 386 Ca -0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2pa6 h SER 386 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2pa6 h SER 386 CO 0.65 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 2pa6 n GLY 387 N -0.56 2.92 3.37 -0.77 0.00 -1.26 -4.55 105.19 104.34 2pa6 n GLY 387 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2pa6 n GLY 387 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pa6 s GLN 388 N 0.00 0.72 -0.01 1.61 -2.07 -1.26 -1.09 119.66 117.56 2pa6 s GLN 388 Ca 0.00 0.30 -0.05 0.00 -1.82 0.00 0.00 55.36 53.79 2pa6 s GLN 388 Cb 0.00 0.34 -0.00 0.00 -1.09 0.00 0.00 33.01 32.26 2pa6 s GLN 388 CO 0.00 -0.17 0.10 -1.50 -1.32 0.00 0.00 175.29 172.40 2pa6 s ILE 389 N -0.60 0.07 -0.28 3.63 2.07 -0.87 -2.92 121.20 122.29 2pa6 s ILE 389 Ca -0.07 -0.56 0.01 0.00 -1.41 0.00 0.00 60.65 58.62 2pa6 s ILE 389 Cb -0.03 -0.33 0.08 0.00 0.13 0.00 0.00 42.46 42.31 2pa6 s ILE 389 CO 0.04 -0.31 0.01 -0.75 -1.91 0.00 0.00 174.94 172.02 2pa6 s LYS 390 N -1.04 1.39 -0.01 3.50 2.20 0.17 -0.90 119.74 125.05 2pa6 s LYS 390 Ca -0.11 -1.28 0.21 0.00 -0.36 0.00 0.00 55.97 54.42 2pa6 s LYS 390 Cb -0.06 -2.64 0.35 0.00 -1.51 0.00 0.00 37.83 33.97 2pa6 s LYS 390 CO 0.01 -0.79 1.14 -2.37 -0.36 0.00 0.00 175.35 172.98 2pa6 n THR 391 N 4.58 0.13 0.00 3.43 5.66 -1.26 -1.10 114.28 125.72 2pa6 n THR 391 Ca -0.05 -0.95 0.00 0.00 -3.05 0.00 0.00 64.05 60.00 2pa6 n THR 391 Cb 0.43 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 2pa6 n THR 391 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pa6 n GLY 392 N 0.32 1.24 3.77 1.09 0.00 -1.26 -4.62 105.19 105.72 2pa6 n GLY 392 Ca 0.06 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 2pa6 n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa6 s ALA 393 N -1.74 2.07 -0.14 4.61 0.00 -0.70 -4.10 121.76 121.75 2pa6 s ALA 393 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 2pa6 s ALA 393 Cb 0.00 -3.19 -0.24 0.00 0.00 0.00 0.00 23.12 19.69 2pa6 s ALA 393 CO 0.00 -1.88 3.40 -0.35 0.00 0.00 0.00 175.76 176.93 2pa6 n PRO 394 N -3.57 2.04 -3.66 0.00 -0.04 -1.26 -4.65 135.00 123.86 2pa6 n PRO 394 Ca 0.08 -1.05 -0.14 0.00 -0.04 0.00 0.00 63.50 62.35 2pa6 n PRO 394 Cb 0.55 -2.04 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2pa6 n PRO 394 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pa6 s ALA 395 N 1.22 -1.08 0.00 0.55 0.00 -1.26 -4.93 121.76 116.25 2pa6 s ALA 395 Ca 0.64 0.48 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2pa6 s ALA 395 Cb 0.29 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.64 2pa6 s ALA 395 CO -0.01 -0.40 0.00 0.54 0.00 0.00 0.00 175.76 175.90 2pa6 n ARG 396 N 0.75 0.00 -0.27 0.00 1.74 -1.26 -4.44 116.66 113.18 2pa6 n ARG 396 Ca -0.19 0.27 0.23 0.00 -0.77 0.00 0.00 57.85 57.39 2pa6 n ARG 396 Cb 0.58 0.00 0.57 0.00 -1.02 0.00 0.00 32.46 32.59 2pa6 n ARG 396 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2pa6 h GLY 397 N 0.00 0.77 1.91 -0.13 0.00 -1.98 0.59 103.07 104.23 2pa6 h GLY 397 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2pa6 h GLY 397 CO 0.00 -0.05 0.00 -1.84 0.00 0.00 0.00 176.54 174.65 2pa6 n GLU 398 N -4.48 0.05 -0.09 4.80 0.00 -1.26 -1.27 120.64 118.39 2pa6 n GLU 398 Ca 0.22 0.22 -0.19 0.00 0.00 0.00 0.00 57.16 57.40 2pa6 n GLU 398 Cb 0.85 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.73 2pa6 n GLU 398 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2pa6 n ARG 399 N -1.46 0.38 0.29 3.44 5.12 0.05 -4.58 116.66 119.90 2pa6 n ARG 399 Ca 0.04 0.17 0.15 0.00 -1.93 0.00 0.00 57.85 56.28 2pa6 n ARG 399 Cb 0.17 -1.13 0.86 0.00 -1.16 0.00 0.00 32.46 31.19 2pa6 n ARG 399 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2pa6 h THR 400 N -0.64 0.50 -0.34 0.55 1.35 -1.12 -1.64 112.91 111.57 2pa6 h THR 400 Ca -0.45 -0.23 -0.05 0.00 -0.55 0.00 0.00 66.41 65.13 2pa6 h THR 400 Cb 1.38 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 2pa6 h THR 400 CO -0.27 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.05 2pa6 h ALA 401 N 1.95 1.38 -0.17 6.62 0.00 -1.43 -0.39 119.26 127.22 2pa6 h ALA 401 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2pa6 h ALA 401 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2pa6 h ALA 401 CO 0.01 0.43 -0.27 0.87 0.00 0.00 0.00 179.25 180.29 2pa6 h LYS 402 N 0.50 0.48 -0.83 0.00 6.56 -1.55 -1.96 116.57 119.77 2pa6 h LYS 402 Ca 0.11 -0.29 -0.01 0.00 -1.06 0.00 0.00 60.65 59.40 2pa6 h LYS 402 Cb 0.32 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.97 2pa6 h LYS 402 CO 0.01 0.89 0.48 1.88 -2.06 0.00 0.00 179.45 180.64 2pa6 h TYR 403 N 0.12 1.10 -0.48 -1.35 0.05 -1.37 0.60 116.97 115.64 2pa6 h TYR 403 Ca 0.01 -0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.67 2pa6 h TYR 403 Cb 0.84 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 2pa6 h TYR 403 CO 0.09 0.75 -0.16 -0.91 -1.05 0.00 0.00 178.16 176.87 2pa6 h ASN 404 N 1.15 0.94 -0.34 3.88 2.35 -1.05 -1.33 115.58 121.17 2pa6 h ASN 404 Ca 0.29 -0.33 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 2pa6 h ASN 404 Cb -0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 2pa6 h ASN 404 CO -0.05 1.09 -0.08 -0.61 -1.65 0.00 0.00 177.43 176.13 2pa6 h GLN 405 N 0.82 0.76 -0.66 0.81 5.75 -0.67 -0.01 115.11 121.90 2pa6 h GLN 405 Ca 0.12 -0.23 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 2pa6 h GLN 405 Cb 0.71 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 2pa6 h GLN 405 CO 0.05 0.82 0.13 -0.07 -2.65 0.00 0.00 178.83 177.11 2pa6 h LEU 406 N 0.69 1.02 -0.65 -2.39 3.38 -0.63 -0.06 115.31 116.68 2pa6 h LEU 406 Ca 0.12 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2pa6 h LEU 406 Cb 0.54 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2pa6 h LEU 406 CO 0.03 1.00 0.25 0.40 0.09 0.00 0.00 178.44 180.22 2pa6 h ILE 407 N 1.01 1.24 -0.54 1.22 2.04 -0.60 -1.19 117.51 120.70 2pa6 h ILE 407 Ca 0.21 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 2pa6 h ILE 407 Cb 0.40 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2pa6 h ILE 407 CO 0.01 0.30 0.05 0.03 0.00 0.00 0.00 178.15 178.54 2pa6 h ARG 408 N 0.92 0.92 -0.51 2.37 3.08 -0.54 -2.18 114.38 118.43 2pa6 h ARG 408 Ca 0.22 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2pa6 h ARG 408 Cb 0.22 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2pa6 h ARG 408 CO -0.02 0.90 0.23 0.82 -1.07 0.00 0.00 179.97 180.84 2pa6 h ILE 409 N 0.80 1.20 -0.89 2.04 2.04 -0.82 -0.30 117.51 121.57 2pa6 h ILE 409 Ca 0.16 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.44 2pa6 h ILE 409 Cb 0.46 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2pa6 h ILE 409 CO 0.02 0.23 0.59 -0.08 0.00 0.00 0.00 178.15 178.91 2pa6 h GLU 410 N 0.68 1.15 -0.20 2.37 4.81 -1.07 -0.75 114.58 121.56 2pa6 h GLU 410 Ca 0.17 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.17 2pa6 h GLU 410 Cb 0.15 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2pa6 h GLU 410 CO -0.02 0.76 -0.54 1.96 -0.73 0.00 0.00 179.01 180.44 2pa6 h GLN 411 N 1.18 0.60 -0.36 1.92 4.20 -1.05 -3.16 115.11 118.44 2pa6 h GLN 411 Ca 0.34 -0.37 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 2pa6 h GLN 411 Cb -0.09 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2pa6 h GLN 411 CO -0.09 0.98 -0.20 1.49 -0.67 0.00 0.00 178.83 180.35 2pa6 h GLU 412 N 0.46 0.68 -6.77 1.46 4.81 -0.55 -3.42 114.58 111.25 2pa6 h GLU 412 Ca 0.01 -0.25 -0.52 0.00 -0.13 0.00 0.00 59.36 58.47 2pa6 h GLU 412 Cb 1.09 -0.04 0.05 0.00 0.63 0.00 0.00 28.75 30.47 2pa6 h GLU 412 CO 0.10 0.83 0.66 -0.51 -0.73 0.00 0.00 179.01 179.36 2pa6 s LEU 413 N -8.86 4.42 -0.04 1.64 1.43 -0.33 -4.92 118.68 112.03 2pa6 s LEU 413 Ca -0.08 2.56 -0.26 0.00 -1.03 0.00 0.00 54.13 55.32 2pa6 s LEU 413 Cb 0.14 -3.63 -0.21 0.00 0.03 0.00 0.00 46.19 42.52 2pa6 s LEU 413 CO 0.82 -0.55 1.17 1.23 0.23 0.00 0.00 176.35 179.25 2pa6 h GLY 414 N 4.51 0.07 -6.68 -3.19 0.00 -1.85 -3.42 103.07 92.50 2pa6 h GLY 414 Ca -0.47 -0.08 -0.60 0.00 0.00 0.00 0.00 47.33 46.19 2pa6 h GLY 414 CO 0.73 0.07 -0.82 1.08 0.00 0.00 0.00 176.54 177.60 2pa6 s LEU 415 N -8.99 1.86 0.36 3.11 1.02 -1.26 -5.10 118.68 109.69 2pa6 s LEU 415 Ca -0.16 -0.63 0.06 0.00 0.02 0.00 0.00 54.13 53.41 2pa6 s LEU 415 Cb 0.01 -1.15 -0.07 0.00 0.02 0.00 0.00 46.19 45.00 2pa6 s LEU 415 CO 0.69 -0.10 0.02 -0.94 0.02 0.00 0.00 176.35 176.04 2pa6 s SER 416 N 1.48 3.19 -0.06 2.29 1.04 -1.26 -4.95 113.70 115.44 2pa6 s SER 416 Ca 0.02 -1.35 0.01 0.00 0.48 0.00 0.00 55.95 55.11 2pa6 s SER 416 Cb -0.14 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.74 2pa6 s SER 416 CO -0.09 -0.49 -0.05 -0.75 0.98 0.00 0.00 173.24 172.83 2pa6 s LYS 417 N -3.78 0.98 -0.24 4.02 2.20 -0.59 -5.02 119.74 117.31 2pa6 s LYS 417 Ca 0.35 -0.13 -0.20 0.00 -0.36 0.00 0.00 55.97 55.63 2pa6 s LYS 417 Cb 0.09 -0.99 -0.02 0.00 -1.51 0.00 0.00 37.83 35.39 2pa6 s LYS 417 CO 0.17 -0.11 0.61 -0.47 -0.36 0.00 0.00 175.35 175.18 2pa6 s TYR 418 N 1.07 3.31 0.30 4.03 5.04 -1.26 0.40 117.35 130.24 2pa6 s TYR 418 Ca -0.08 0.81 0.06 0.00 -2.44 0.00 0.00 57.07 55.42 2pa6 s TYR 418 Cb -0.14 -2.80 0.77 0.00 0.35 0.00 0.00 41.96 40.14 2pa6 s TYR 418 CO -0.01 -0.27 1.74 0.00 -1.34 0.00 0.00 175.55 175.67 2pa6 h ALA 419 N 7.79 1.62 -0.59 3.97 0.00 -1.57 -3.46 119.26 127.02 2pa6 h ALA 419 Ca -0.29 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pa6 h ALA 419 Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2pa6 h ALA 419 CO 0.76 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2pa6 n GLY 420 N -1.32 3.03 0.07 0.00 0.00 -1.26 -1.23 105.19 104.47 2pa6 n GLY 420 Ca 0.24 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2pa6 n GLY 420 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa6 n ARG 421 N 14.00 0.09 -1.47 1.61 1.74 -1.11 -2.45 116.66 129.07 2pa6 n ARG 421 Ca 0.00 0.38 -0.34 0.00 -0.77 0.00 0.00 57.85 57.13 2pa6 n ARG 421 Cb 0.00 -1.70 0.07 0.00 -1.02 0.00 0.00 32.46 29.81 2pa6 n ARG 421 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pa6 n ASN 422 N -1.87 7.31 0.26 0.55 3.02 -0.36 -4.70 115.26 119.46 2pa6 n ASN 422 Ca 0.02 -3.79 0.11 0.00 -0.03 0.00 0.00 54.58 50.89 2pa6 n ASN 422 Cb 0.16 -0.90 0.70 0.00 -0.61 0.00 0.00 39.78 39.14 2pa6 n ASN 422 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2pa6 h PHE 423 N 2.09 0.00 -0.04 3.10 -5.15 -1.55 -1.90 116.94 113.49 2pa6 h PHE 423 Ca 0.57 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.31 2pa6 h PHE 423 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.03 2pa6 h PHE 423 CO 1.34 0.11 -0.10 -0.09 -2.00 0.00 0.00 178.31 177.57 2pa6 h ARG 424 N 0.00 0.13 -2.62 6.09 1.12 -1.85 -3.37 114.38 113.88 2pa6 h ARG 424 Ca -0.00 -0.09 -0.58 0.00 -1.11 0.00 0.00 59.98 58.20 2pa6 h ARG 424 Cb 0.24 0.01 -0.39 0.00 -0.01 0.00 0.00 29.97 29.83 2pa6 h ARG 424 CO 0.01 0.70 -0.84 0.00 -3.11 0.00 0.00 179.97 176.74 2pa6 n PRO 426 N 4.12 0.75 0.00 0.00 -0.04 -0.73 -4.89 135.00 134.21 2pa6 n PRO 426 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2pa6 n PRO 426 Cb 0.37 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2pa6 n PRO 426 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65