#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h23 h GLU 5 N 0.00 0.00 -0.09 -1.46 4.81 -2.03 -1.85 114.58 113.96 1h23 h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1h23 h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1h23 h GLU 5 CO 0.00 0.01 0.00 1.28 -0.73 0.00 0.00 179.01 179.57 1h23 n LEU 6 N -4.45 1.29 -4.35 1.64 4.77 -1.26 -4.78 117.00 109.86 1h23 n LEU 6 Ca -0.03 -0.50 -0.35 0.00 -0.03 0.00 0.00 56.01 55.11 1h23 n LEU 6 Cb 0.10 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 1h23 n LEU 6 CO 0.33 0.25 -0.39 -0.22 -1.33 0.00 0.00 177.39 176.04 1h23 s LEU 7 N -1.74 2.94 -0.02 2.23 2.96 -0.70 0.29 118.68 124.64 1h23 s LEU 7 Ca 0.35 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 1h23 s LEU 7 Cb 0.18 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 45.14 1h23 s LEU 7 CO 0.29 0.03 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.56 1h23 s VAL 8 N 1.15 0.82 -0.25 1.68 1.01 -0.67 -4.78 120.40 119.37 1h23 s VAL 8 Ca 0.02 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 1h23 s VAL 8 Cb -0.14 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1h23 s VAL 8 CO -0.01 0.25 0.18 0.20 0.00 0.00 0.00 175.10 175.72 1h23 s ASN 9 N 0.06 6.11 0.44 3.32 0.01 -1.26 -0.67 114.94 122.93 1h23 s ASN 9 Ca -0.01 0.10 0.04 0.00 -0.71 0.00 0.00 52.86 52.28 1h23 s ASN 9 Cb -0.07 -2.11 -0.05 0.00 0.41 0.00 0.00 41.25 39.42 1h23 s ASN 9 CO 0.00 0.03 0.02 0.42 -1.51 0.00 0.00 177.10 176.07 1h23 s THR 10 N 1.23 1.50 -0.38 1.60 -4.23 -0.17 -4.86 115.64 110.32 1h23 s THR 10 Ca 0.08 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.82 1h23 s THR 10 Cb -0.14 -2.63 0.24 0.00 1.34 0.00 0.00 72.50 71.32 1h23 s THR 10 CO 0.06 0.00 1.71 0.29 -0.54 0.00 0.00 174.62 176.14 1h23 n LYS 11 N -1.04 0.18 0.01 3.99 5.02 -1.26 -1.34 118.16 123.72 1h23 n LYS 11 Ca -0.10 0.49 0.11 0.00 -2.02 0.00 0.00 58.31 56.79 1h23 n LYS 11 Cb 0.67 -1.91 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 1h23 n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1h23 n SER 12 N -2.27 0.69 0.00 4.39 7.64 -1.26 -4.89 113.62 117.93 1h23 n SER 12 Ca 0.01 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1h23 n SER 12 Cb 0.18 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1h23 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h23 n GLY 13 N 1.44 0.98 3.79 0.23 0.00 -0.45 -1.57 105.19 109.61 1h23 n GLY 13 Ca 0.03 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1h23 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h23 s LYS 14 N -1.12 4.48 -0.01 1.61 1.02 -1.25 -1.00 119.74 123.47 1h23 s LYS 14 Ca 0.00 1.22 0.02 0.00 0.02 0.00 0.00 55.97 57.23 1h23 s LYS 14 Cb 0.00 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1h23 s LYS 14 CO 0.00 0.27 -0.07 0.54 -0.92 0.00 0.00 175.35 175.17 1h23 s VAL 15 N -1.66 0.59 -0.19 3.17 0.11 0.15 -1.20 120.40 121.38 1h23 s VAL 15 Ca 0.50 -0.30 -0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1h23 s VAL 15 Cb -0.17 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1h23 s VAL 15 CO 0.22 0.18 -0.16 -0.32 -3.33 0.00 0.00 175.10 171.68 1h23 s MET 16 N -0.03 3.08 0.00 1.54 1.75 0.31 -1.66 119.30 124.29 1h23 s MET 16 Ca 0.01 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 53.67 1h23 s MET 16 Cb -0.05 -2.66 0.00 0.00 2.84 0.00 0.00 34.83 34.96 1h23 s MET 16 CO -0.00 -0.19 0.00 0.41 -0.65 0.00 0.00 175.02 174.59 1h23 n GLY 17 N 4.62 0.42 3.11 2.11 0.00 0.14 -0.39 105.19 115.20 1h23 n GLY 17 Ca -0.20 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 1h23 n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1h23 s THR 18 N 0.74 0.06 -0.02 2.61 -1.32 -0.00 -4.69 115.64 113.02 1h23 s THR 18 Ca 0.00 -0.49 -0.23 0.00 -1.21 0.00 0.00 61.69 59.76 1h23 s THR 18 Cb 0.00 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 1h23 s THR 18 CO 0.00 -0.27 0.70 -0.60 -2.21 0.00 0.00 174.62 172.24 1h23 s ARG 19 N -0.98 4.43 -0.00 7.08 3.52 -1.26 -0.98 118.95 130.75 1h23 s ARG 19 Ca -0.11 0.91 0.05 0.00 -0.13 0.00 0.00 55.73 56.45 1h23 s ARG 19 Cb -0.06 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1h23 s ARG 19 CO 0.01 0.18 -0.16 0.14 -0.81 0.00 0.00 175.30 174.67 1h23 s VAL 20 N 0.37 1.28 0.37 7.11 -7.23 0.16 -4.95 120.40 117.51 1h23 s VAL 20 Ca 0.37 -0.76 -0.25 0.00 -1.81 0.00 0.00 61.98 59.53 1h23 s VAL 20 Cb -0.19 -1.08 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 1h23 s VAL 20 CO 0.19 0.30 1.01 -2.16 -0.31 0.00 0.00 175.10 174.14 1h23 s PRO 21 N -0.53 4.33 -0.19 4.82 0.04 -1.26 -1.03 135.00 141.17 1h23 s PRO 21 Ca 0.06 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 1h23 s PRO 21 Cb -0.07 -2.63 0.09 0.00 0.04 0.00 0.00 34.50 31.93 1h23 s PRO 21 CO -0.00 0.02 0.42 0.08 0.04 0.00 0.00 177.00 177.55 1h23 s VAL 22 N -1.65 -0.55 -1.45 -0.36 1.01 -0.55 -4.90 120.40 111.95 1h23 s VAL 22 Ca 0.55 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 1h23 s VAL 22 Cb -0.21 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1h23 s VAL 22 CO 0.26 0.07 0.21 0.18 0.00 0.00 0.00 175.10 175.82 1h23 n LEU 23 N 5.21 -1.03 -2.33 3.92 4.77 -1.26 -0.05 117.00 126.23 1h23 n LEU 23 Ca -0.11 -1.24 -0.16 0.00 -0.03 0.00 0.00 56.01 54.47 1h23 n LEU 23 Cb 0.50 -1.70 -0.01 0.00 -2.33 0.00 0.00 43.42 39.88 1h23 n LEU 23 CO 0.01 0.54 -0.20 -1.54 -1.33 0.00 0.00 177.39 174.86 1h23 n SER 24 N -2.75 -4.78 0.00 -1.43 3.41 -1.26 -4.94 113.62 101.87 1h23 n SER 24 Ca -0.28 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1h23 n SER 24 Cb 0.67 -4.05 0.00 0.00 -0.26 0.00 0.00 64.21 60.57 1h23 n SER 24 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1h23 n SER 25 N -1.80 0.33 -3.64 4.04 2.88 0.92 -5.17 113.62 111.18 1h23 n SER 25 Ca -0.19 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.21 1h23 n SER 25 Cb 0.64 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 1h23 n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1h23 s HIS 26 N 0.28 -0.33 0.29 0.66 3.76 -1.26 -1.48 115.29 117.21 1h23 s HIS 26 Ca 0.00 0.39 0.02 0.00 -0.15 0.00 0.00 55.06 55.32 1h23 s HIS 26 Cb 0.00 0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.91 1h23 s HIS 26 CO 0.00 -0.56 0.28 0.96 -0.85 0.00 0.00 174.74 174.57 1h23 s ILE 27 N -2.13 0.00 0.06 0.60 -4.36 -0.20 -4.45 121.20 110.72 1h23 s ILE 27 Ca -0.07 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1h23 s ILE 27 Cb -0.01 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1h23 s ILE 27 CO 0.00 0.00 0.15 -0.44 0.24 0.00 0.00 174.94 174.89 1h23 s SER 28 N -3.26 5.99 -0.02 4.36 0.01 -0.66 -0.67 113.70 119.45 1h23 s SER 28 Ca 0.37 0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.82 1h23 s SER 28 Cb 0.03 -1.75 -0.00 0.00 0.21 0.00 0.00 66.02 64.50 1h23 s SER 28 CO 0.20 0.18 -0.10 0.00 0.41 0.00 0.00 173.24 173.94 1h23 s ALA 29 N -1.43 0.86 -0.29 1.44 0.00 -0.16 -0.95 121.76 121.23 1h23 s ALA 29 Ca 0.31 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.92 1h23 s ALA 29 Cb -0.13 -0.28 0.08 0.00 0.00 0.00 0.00 23.12 22.80 1h23 s ALA 29 CO 0.24 0.17 -0.01 -0.06 0.00 0.00 0.00 175.76 176.10 1h23 s PHE 30 N 0.02 3.12 -0.04 0.00 0.40 0.25 -0.82 117.98 120.91 1h23 s PHE 30 Ca -0.00 -2.43 -0.00 0.00 -0.60 0.00 0.00 56.93 53.90 1h23 s PHE 30 Cb -0.07 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1h23 s PHE 30 CO 0.00 -0.89 0.01 -0.51 0.70 0.00 0.00 175.22 174.53 1h23 s LEU 31 N 1.14 3.56 -0.92 -0.37 1.43 0.00 -0.71 118.68 122.80 1h23 s LEU 31 Ca 0.02 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1h23 s LEU 31 Cb -0.19 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1h23 s LEU 31 CO -0.09 0.33 0.79 0.61 0.23 0.00 0.00 176.35 178.22 1h23 n GLY 32 N 1.74 -0.14 3.68 -3.19 0.00 -1.11 -4.06 105.19 102.12 1h23 n GLY 32 Ca -0.16 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1h23 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h23 s ILE 33 N -3.25 4.91 0.36 -0.61 1.01 -0.40 -4.79 121.20 118.43 1h23 s ILE 33 Ca 0.19 1.65 -0.26 0.00 0.00 0.00 0.00 60.65 62.23 1h23 s ILE 33 Cb -0.08 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 1h23 s ILE 33 CO 0.53 0.09 1.06 -2.16 0.00 0.00 0.00 174.94 174.45 1h23 s PRO 34 N 1.74 4.33 0.00 2.79 0.04 -1.26 -0.58 135.00 142.06 1h23 s PRO 34 Ca 0.40 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1h23 s PRO 34 Cb -0.17 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1h23 s PRO 34 CO 0.15 -0.01 0.34 1.97 0.04 0.00 0.00 177.00 179.49 1h23 n PHE 35 N 0.34 0.00 -3.92 0.56 1.16 -1.06 -4.89 117.46 109.66 1h23 n PHE 35 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.52 1h23 n PHE 35 Cb 0.48 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.29 1h23 n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1h23 s ALA 36 N -0.00 -0.16 0.49 1.98 0.00 -1.26 -3.00 121.76 119.81 1h23 s ALA 36 Ca 0.00 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 1h23 s ALA 36 Cb 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 23.88 1h23 s ALA 36 CO 0.00 -0.66 1.03 -1.21 0.00 0.00 0.00 175.76 174.91 1h23 s GLU 37 N -3.95 3.80 0.09 0.00 0.41 0.38 -4.36 118.70 115.08 1h23 s GLU 37 Ca 0.15 1.30 -0.33 0.00 -0.41 0.00 0.00 54.97 55.69 1h23 s GLU 37 Cb 0.03 -2.10 -0.12 0.00 -1.78 0.00 0.00 34.13 30.16 1h23 s GLU 37 CO -0.01 -0.42 1.77 -2.30 -0.49 0.00 0.00 175.26 173.81 1h23 n PRO 38 N -1.07 2.47 -1.84 0.39 -0.02 -1.26 -4.71 135.00 128.95 1h23 n PRO 38 Ca 0.09 0.90 -0.40 0.00 -2.02 0.00 0.00 63.50 62.06 1h23 n PRO 38 Cb 0.53 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 31.26 1h23 n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1h23 n PRO 39 N 5.17 4.13 -3.92 0.52 -0.04 -1.26 -4.92 135.00 134.69 1h23 n PRO 39 Ca 0.19 -3.09 -0.22 0.00 -0.04 0.00 0.00 63.50 60.34 1h23 n PRO 39 Cb 0.33 -2.75 -0.04 0.00 -0.04 0.00 0.00 33.50 30.99 1h23 n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1h23 s VAL 40 N 0.19 3.60 0.00 0.52 -7.23 -1.26 -3.44 120.40 112.78 1h23 s VAL 40 Ca 0.56 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1h23 s VAL 40 Cb 0.17 -3.18 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1h23 s VAL 40 CO -0.07 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 1h23 n GLY 41 N -1.30 3.85 0.00 2.32 0.00 -1.26 -1.63 105.19 107.17 1h23 n GLY 41 Ca -0.03 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1h23 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h23 n ASN 42 N 6.17 0.00 0.01 1.61 4.13 -1.26 -2.02 115.26 123.90 1h23 n ASN 42 Ca 0.00 -0.24 0.11 0.00 1.68 0.00 0.00 54.58 56.14 1h23 n ASN 42 Cb 0.00 -0.09 0.08 0.00 -1.54 0.00 0.00 39.78 38.24 1h23 n ASN 42 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1h23 n MET 43 N -1.09 0.09 -1.70 3.52 2.81 -0.65 -4.82 117.12 115.30 1h23 n MET 43 Ca 0.08 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.54 1h23 n MET 43 Cb 0.06 -1.53 -0.03 0.00 -0.71 0.00 0.00 33.22 31.00 1h23 n MET 43 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1h23 n ARG 44 N -1.65 2.63 0.00 0.03 0.63 -0.86 -1.21 116.66 116.24 1h23 n ARG 44 Ca 0.04 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.92 1h23 n ARG 44 Cb 0.37 -2.80 0.00 0.00 0.45 0.00 0.00 32.46 30.48 1h23 n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1h23 n PHE 45 N 4.47 0.00 -2.56 -0.14 3.72 -1.26 -4.92 117.46 116.78 1h23 n PHE 45 Ca 0.17 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.29 1h23 n PHE 45 Cb 0.34 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1h23 n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1h23 s ARG 46 N -0.23 3.59 0.66 -1.08 0.52 -0.35 -4.16 118.95 117.90 1h23 s ARG 46 Ca 0.00 0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 55.37 1h23 s ARG 46 Cb 0.00 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.10 1h23 s ARG 46 CO 0.00 -0.23 0.86 0.54 0.02 0.00 0.00 175.30 176.49 1h23 n ARG 47 N -2.16 0.65 -2.09 3.54 1.74 -1.26 -4.93 116.66 112.15 1h23 n ARG 47 Ca 0.02 0.27 -0.33 0.00 -0.77 0.00 0.00 57.85 57.04 1h23 n ARG 47 Cb 0.55 -2.09 0.01 0.00 -1.02 0.00 0.00 32.46 29.90 1h23 n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1h23 s PRO 48 N -2.88 3.38 -0.00 5.56 0.04 -1.26 -5.06 135.00 134.77 1h23 s PRO 48 Ca 0.73 1.19 0.04 0.00 0.04 0.00 0.00 61.00 63.01 1h23 s PRO 48 Cb -0.39 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1h23 s PRO 48 CO 0.50 -0.76 -0.12 -1.21 0.04 0.00 0.00 177.00 175.45 1h23 s GLU 49 N -4.04 2.41 0.53 4.56 0.41 -1.26 -5.02 118.70 116.28 1h23 s GLU 49 Ca 0.63 -0.78 -0.22 0.00 -0.41 0.00 0.00 54.97 54.19 1h23 s GLU 49 Cb -0.16 -2.38 -0.05 0.00 -1.78 0.00 0.00 34.13 29.76 1h23 s GLU 49 CO 0.36 0.59 1.33 -1.25 -0.49 0.00 0.00 175.26 175.80 1h23 s PRO 50 N -1.21 3.26 0.17 0.39 0.04 -1.26 -0.47 135.00 135.92 1h23 s PRO 50 Ca 0.15 2.17 -0.31 0.00 0.04 0.00 0.00 61.00 63.05 1h23 s PRO 50 Cb -0.11 -2.30 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 1h23 s PRO 50 CO 0.05 -1.08 1.52 0.21 0.04 0.00 0.00 177.00 177.74 1h23 s LYS 51 N -2.85 4.24 0.24 4.56 2.47 -1.16 -4.06 119.74 123.17 1h23 s LYS 51 Ca 0.70 2.31 -0.30 0.00 -1.56 0.00 0.00 55.97 57.12 1h23 s LYS 51 Cb -0.39 -3.16 -0.09 0.00 -1.46 0.00 0.00 37.83 32.73 1h23 s LYS 51 CO 0.46 -0.56 1.31 0.15 0.16 0.00 0.00 175.35 176.88 1h23 s LYS 52 N 0.94 4.38 0.69 4.03 3.01 -1.26 -4.92 119.74 126.61 1h23 s LYS 52 Ca 0.68 2.11 -0.17 0.00 -1.01 0.00 0.00 55.97 57.58 1h23 s LYS 52 Cb -0.42 -3.15 0.01 0.00 -1.01 0.00 0.00 37.83 33.25 1h23 s LYS 52 CO 0.33 -0.23 1.20 -2.30 0.51 0.00 0.00 175.35 174.86 1h23 n PRO 53 N 2.10 0.80 -4.36 -1.68 -0.02 -1.26 -5.02 135.00 125.55 1h23 n PRO 53 Ca 0.04 0.33 -0.26 0.00 -2.02 0.00 0.00 63.50 61.60 1h23 n PRO 53 Cb 0.42 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 1h23 n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1h23 s TRP 54 N -1.62 2.11 0.42 6.00 -2.14 -0.61 -5.03 118.94 118.07 1h23 s TRP 54 Ca 0.79 -0.40 0.02 0.00 2.66 0.00 0.00 56.10 59.18 1h23 s TRP 54 Cb -0.36 -1.11 -0.00 0.00 -3.10 0.00 0.00 33.47 28.90 1h23 s TRP 54 CO 0.44 0.34 0.62 -1.54 -2.66 0.00 0.00 176.95 174.15 1h23 s SER 55 N -2.25 5.84 0.00 -2.66 1.04 -1.26 -4.48 113.70 109.93 1h23 s SER 55 Ca 0.14 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1h23 s SER 55 Cb -0.09 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1h23 s SER 55 CO 0.07 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1h23 n GLY 56 N -1.96 -2.31 3.45 7.32 0.00 -1.26 -4.88 105.19 105.55 1h23 n GLY 56 Ca 0.01 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1h23 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h23 s VAL 57 N -0.40 3.80 -0.19 1.61 1.01 -1.26 -3.93 120.40 121.03 1h23 s VAL 57 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 1h23 s VAL 57 Cb 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1h23 s VAL 57 CO 0.00 0.46 0.91 0.86 0.00 0.00 0.00 175.10 177.33 1h23 s TRP 58 N 0.71 3.39 -0.38 5.22 -0.11 -0.34 -4.90 118.94 122.52 1h23 s TRP 58 Ca -0.02 1.32 -0.29 0.00 1.22 0.00 0.00 56.10 58.34 1h23 s TRP 58 Cb -0.14 -3.11 0.01 0.00 -1.50 0.00 0.00 33.47 28.73 1h23 s TRP 58 CO 0.02 -0.34 1.28 1.21 -4.62 0.00 0.00 176.95 174.51 1h23 s ASN 59 N 1.20 6.57 -0.55 5.86 3.84 -1.26 -0.53 114.94 130.09 1h23 s ASN 59 Ca 0.40 0.90 0.04 0.00 0.21 0.00 0.00 52.86 54.41 1h23 s ASN 59 Cb -0.16 -2.54 0.39 0.00 -0.55 0.00 0.00 41.25 38.39 1h23 s ASN 59 CO 0.10 -1.22 1.23 0.00 -2.79 0.00 0.00 177.10 174.43 1h23 n ALA 60 N 8.01 5.24 0.78 1.71 0.00 0.48 -4.68 120.51 132.04 1h23 n ALA 60 Ca 0.14 -4.38 0.08 0.00 0.00 0.00 0.00 53.44 49.28 1h23 n ALA 60 Cb 0.48 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 1h23 n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1h23 n SER 61 N -0.43 0.81 -4.11 0.00 3.41 -1.25 -0.82 113.62 111.23 1h23 n SER 61 Ca 0.40 -0.90 -0.17 0.00 -0.26 0.00 0.00 58.87 57.94 1h23 n SER 61 Cb 0.54 0.98 -0.12 0.00 -0.26 0.00 0.00 64.21 65.35 1h23 n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1h23 s THR 62 N -2.54 0.87 0.50 6.66 -4.23 -1.26 -4.85 115.64 110.79 1h23 s THR 62 Ca 0.06 -1.08 -0.22 0.00 -1.18 0.00 0.00 61.69 59.27 1h23 s THR 62 Cb 0.13 -0.85 -0.07 0.00 1.34 0.00 0.00 72.50 73.04 1h23 s THR 62 CO 0.67 -0.20 1.19 -1.22 -0.54 0.00 0.00 174.62 174.52 1h23 n TYR 63 N 1.61 1.73 -1.97 3.99 4.01 -1.26 -3.91 117.16 121.35 1h23 n TYR 63 Ca -0.20 0.47 -0.29 0.00 -0.16 0.00 0.00 57.90 57.72 1h23 n TYR 63 Cb 0.55 -2.29 0.14 0.00 -0.31 0.00 0.00 39.34 37.42 1h23 n TYR 63 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1h23 s PRO 64 N -2.51 1.32 0.80 -0.72 0.04 -1.26 -4.89 135.00 127.77 1h23 s PRO 64 Ca 0.68 -0.23 -0.10 0.00 0.04 0.00 0.00 61.00 61.38 1h23 s PRO 64 Cb -0.47 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.21 1h23 s PRO 64 CO 0.53 -1.96 1.10 -0.80 0.04 0.00 0.00 177.00 175.90 1h23 s ASN 65 N -4.74 4.21 0.20 6.66 0.01 -1.26 -4.84 114.94 115.17 1h23 s ASN 65 Ca 0.68 1.86 0.01 0.00 -0.71 0.00 0.00 52.86 54.71 1h23 s ASN 65 Cb -0.07 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1h23 s ASN 65 CO 0.50 -2.23 0.36 0.20 -1.51 0.00 0.00 177.10 174.42 1h23 s ASN 66 N -3.28 6.35 0.74 -1.22 0.02 -0.78 -4.79 114.94 111.99 1h23 s ASN 66 Ca 0.62 0.28 -0.13 0.00 -1.02 0.00 0.00 52.86 52.61 1h23 s ASN 66 Cb -0.18 -1.96 0.04 0.00 0.02 0.00 0.00 41.25 39.18 1h23 s ASN 66 CO 0.56 -0.03 1.12 0.00 0.02 0.00 0.00 177.10 178.78 1h23 s GLN 68 N -4.45 4.22 0.22 0.00 -1.52 -1.24 -4.62 119.66 112.27 1h23 s GLN 68 Ca 0.66 2.34 -0.21 0.00 -1.95 0.00 0.00 55.36 56.19 1h23 s GLN 68 Cb -0.21 -3.27 0.04 0.00 -0.22 0.00 0.00 33.01 29.36 1h23 s GLN 68 CO 0.49 -0.63 0.63 1.14 -0.25 0.00 0.00 175.29 176.68 1h23 s GLN 69 N 1.50 1.51 0.40 2.91 -2.07 -1.26 -4.67 119.66 117.97 1h23 s GLN 69 Ca 0.71 -0.76 -0.27 0.00 -1.82 0.00 0.00 55.36 53.21 1h23 s GLN 69 Cb -0.42 0.58 -0.10 0.00 -1.09 0.00 0.00 33.01 31.98 1h23 s GLN 69 CO 0.31 -0.67 1.48 -0.47 -1.32 0.00 0.00 175.29 174.63 1h23 s TYR 70 N -3.84 2.53 -0.14 9.60 5.04 -1.26 -5.01 117.35 124.26 1h23 s TYR 70 Ca 0.07 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.88 1h23 s TYR 70 Cb -0.03 -4.02 -0.00 0.00 0.35 0.00 0.00 41.96 38.26 1h23 s TYR 70 CO -0.03 -3.05 -0.16 0.08 -1.34 0.00 0.00 175.55 171.05 1h23 s VAL 71 N -1.14 2.63 -0.14 3.14 1.01 -1.26 -4.92 120.40 119.72 1h23 s VAL 71 Ca 0.55 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1h23 s VAL 71 Cb -0.46 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1h23 s VAL 71 CO 0.62 0.53 1.34 -0.62 0.00 0.00 0.00 175.10 176.96 1h23 s ASP 72 N 0.62 6.89 -0.11 3.32 2.15 -1.26 -4.86 116.67 123.42 1h23 s ASP 72 Ca -0.09 1.80 0.15 0.00 0.43 0.00 0.00 52.55 54.84 1h23 s ASP 72 Cb -0.16 -2.54 0.33 0.00 -0.30 0.00 0.00 42.92 40.26 1h23 s ASP 72 CO 0.03 -0.79 1.16 -1.84 -0.17 0.00 0.00 175.17 173.56 1h23 n GLU 73 N 6.69 0.91 -0.23 4.34 0.28 -1.26 -4.80 120.64 126.57 1h23 n GLU 73 Ca 0.14 -2.50 -0.01 0.00 -0.16 0.00 0.00 57.16 54.63 1h23 n GLU 73 Cb 0.44 -1.05 0.19 0.00 1.43 0.00 0.00 31.44 32.46 1h23 n GLU 73 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1h23 h GLN 74 N 0.62 1.03 -2.49 3.44 5.75 -2.01 -3.34 115.11 118.12 1h23 h GLN 74 Ca -0.05 -0.11 -0.60 0.00 -0.15 0.00 0.00 58.65 57.74 1h23 h GLN 74 Cb 1.27 -0.21 -0.40 0.00 1.07 0.00 0.00 27.48 29.21 1h23 h GLN 74 CO 0.02 0.75 -0.79 1.19 -2.65 0.00 0.00 178.83 177.35 1h23 n PHE 75 N -4.36 1.52 -1.68 3.99 3.72 -1.26 -5.10 117.46 114.29 1h23 n PHE 75 Ca 0.08 -3.86 -0.57 0.00 -0.05 0.00 0.00 57.45 53.04 1h23 n PHE 75 Cb 0.09 -0.32 -0.07 0.00 -0.94 0.00 0.00 39.48 38.25 1h23 n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1h23 n PRO 76 N 1.85 1.04 -0.05 -1.08 -0.02 -1.26 -0.59 135.00 134.90 1h23 n PRO 76 Ca 0.25 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1h23 n PRO 76 Cb 0.43 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1h23 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h23 n GLY 77 N 3.77 2.69 3.70 -1.23 0.00 -1.26 -5.00 105.19 107.85 1h23 n GLY 77 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1h23 n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h23 s PHE 78 N -2.97 3.12 0.36 1.61 5.36 0.25 -4.91 117.98 120.79 1h23 s PHE 78 Ca 0.00 1.04 0.08 0.00 -0.96 0.00 0.00 56.93 57.08 1h23 s PHE 78 Cb 0.00 -3.56 0.68 0.00 -0.34 0.00 0.00 43.02 39.80 1h23 s PHE 78 CO 0.00 -1.92 1.86 0.66 -1.46 0.00 0.00 175.22 174.36 1h23 h SER 79 N 7.34 0.29 -1.00 6.13 4.64 -1.95 -2.13 113.55 126.87 1h23 h SER 79 Ca -0.39 -0.07 0.13 0.00 -0.47 0.00 0.00 61.79 61.00 1h23 h SER 79 Cb 1.19 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 63.11 1h23 h SER 79 CO 0.87 0.48 0.63 1.23 -0.87 0.00 0.00 176.83 179.17 1h23 h GLY 80 N 0.85 1.67 0.54 -0.77 0.00 -1.94 -1.94 103.07 101.47 1h23 h GLY 80 Ca 0.05 -0.41 -0.36 0.00 0.00 0.00 0.00 47.33 46.61 1h23 h GLY 80 CO 0.03 0.12 -2.06 -1.14 0.00 0.00 0.00 176.54 173.49 1h23 n SER 81 N -4.64 1.95 0.28 0.19 3.41 -1.18 -4.39 113.62 109.24 1h23 n SER 81 Ca 0.20 0.17 0.17 0.00 -0.26 0.00 0.00 58.87 59.15 1h23 n SER 81 Cb 0.39 -0.68 0.71 0.00 -0.26 0.00 0.00 64.21 64.37 1h23 n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1h23 h GLU 82 N 0.05 0.00 0.00 4.33 5.08 -1.27 -2.62 114.58 120.16 1h23 h GLU 82 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1h23 h GLU 82 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1h23 h GLU 82 CO 0.06 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 1h23 n MET 83 N -3.11 0.08 0.00 2.33 0.00 -0.74 -2.05 117.12 113.63 1h23 n MET 83 Ca 0.00 0.41 0.08 0.00 0.00 0.00 0.00 57.70 58.20 1h23 n MET 83 Cb 0.30 -1.68 -0.09 0.00 0.00 0.00 0.00 33.22 31.75 1h23 n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1h23 n TRP 84 N -1.83 0.00 -2.31 3.17 7.02 -0.99 -4.68 117.44 117.82 1h23 n TRP 84 Ca 0.02 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.18 1h23 n TRP 84 Cb 0.13 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.00 1h23 n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1h23 s ASN 85 N -2.59 6.52 0.30 -0.99 0.01 -0.87 -4.70 114.94 112.62 1h23 s ASN 85 Ca 0.07 1.50 -0.29 0.00 -0.71 0.00 0.00 52.86 53.43 1h23 s ASN 85 Cb 0.13 -2.48 -0.13 0.00 0.41 0.00 0.00 41.25 39.18 1h23 s ASN 85 CO 0.69 -0.64 1.35 -2.65 -1.51 0.00 0.00 177.10 174.33 1h23 n PRO 86 N -1.84 2.11 -0.17 -0.60 -0.02 -1.26 -4.87 135.00 128.34 1h23 n PRO 86 Ca 0.06 0.75 0.06 0.00 -2.02 0.00 0.00 63.50 62.35 1h23 n PRO 86 Cb 0.54 -2.36 0.14 0.00 -0.02 0.00 0.00 33.50 31.80 1h23 n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1h23 n ASN 87 N 1.38 2.80 -4.37 2.55 6.94 -1.26 -4.99 115.26 118.31 1h23 n ASN 87 Ca 0.08 -2.51 -0.19 0.00 -0.02 0.00 0.00 54.58 51.94 1h23 n ASN 87 Cb 0.34 -0.30 -0.10 0.00 -2.36 0.00 0.00 39.78 37.36 1h23 n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1h23 s ARG 88 N -1.89 1.48 0.38 -3.83 1.81 -1.26 -5.10 118.95 110.54 1h23 s ARG 88 Ca 0.24 -1.80 -0.27 0.00 -1.72 0.00 0.00 55.73 52.18 1h23 s ARG 88 Cb 0.18 -0.58 -0.10 0.00 -0.45 0.00 0.00 34.95 34.00 1h23 s ARG 88 CO 0.07 -0.20 1.36 -2.00 -0.68 0.00 0.00 175.30 173.85 1h23 s GLU 89 N -3.93 4.08 0.23 3.54 2.12 -1.26 -4.58 118.70 118.89 1h23 s GLU 89 Ca 0.35 2.30 -0.19 0.00 0.36 0.00 0.00 54.97 57.79 1h23 s GLU 89 Cb 0.08 -2.88 -0.08 0.00 0.26 0.00 0.00 34.13 31.50 1h23 s GLU 89 CO 0.13 -0.45 0.72 -1.64 -0.54 0.00 0.00 175.26 173.48 1h23 s MET 90 N -2.10 4.20 -0.08 4.30 -1.94 -1.26 -1.86 119.30 120.55 1h23 s MET 90 Ca 0.54 0.82 -0.26 0.00 -1.71 0.00 0.00 55.69 55.08 1h23 s MET 90 Cb -0.41 -2.81 0.06 0.00 2.01 0.00 0.00 34.83 33.68 1h23 s MET 90 CO 0.54 0.36 0.59 0.45 -0.01 0.00 0.00 175.02 176.95 1h23 s SER 91 N -1.76 -0.55 0.49 3.03 0.15 -0.49 -4.91 113.70 109.66 1h23 s SER 91 Ca 0.45 0.68 0.32 0.00 0.70 0.00 0.00 55.95 58.10 1h23 s SER 91 Cb -0.16 0.63 1.42 0.00 -1.71 0.00 0.00 66.02 66.21 1h23 s SER 91 CO 0.20 -0.50 1.96 -0.33 1.20 0.00 0.00 173.24 175.78 1h23 h GLU 92 N 3.62 0.00 -5.60 5.44 5.08 -1.94 -3.28 114.58 117.90 1h23 h GLU 92 Ca -0.28 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.43 1h23 h GLU 92 Cb 1.15 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.27 1h23 h GLU 92 CO 0.34 0.00 1.32 0.34 -1.00 0.00 0.00 179.01 180.00 1h23 s ASP 93 N -5.18 6.62 0.00 1.42 -1.08 -1.26 -4.25 116.67 112.94 1h23 s ASP 93 Ca 0.01 -1.87 0.00 0.00 -0.52 0.00 0.00 52.55 50.17 1h23 s ASP 93 Cb 0.09 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1h23 s ASP 93 CO 0.47 -1.26 0.46 0.00 0.52 0.00 0.00 175.17 175.35 1h23 s LEU 95 N 0.00 4.07 0.12 0.00 1.43 -1.26 -4.70 118.68 118.34 1h23 s LEU 95 Ca 0.00 -2.07 0.02 0.00 -1.03 0.00 0.00 54.13 51.05 1h23 s LEU 95 Cb 0.00 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1h23 s LEU 95 CO 0.00 -1.23 -0.04 -0.31 0.23 0.00 0.00 176.35 175.00 1h23 s TYR 96 N 3.92 0.97 0.18 0.29 1.51 -1.26 -2.55 117.35 120.41 1h23 s TYR 96 Ca 0.46 -0.96 0.06 0.00 -1.01 0.00 0.00 57.07 55.61 1h23 s TYR 96 Cb 0.00 -0.56 -0.05 0.00 -0.11 0.00 0.00 41.96 41.25 1h23 s TYR 96 CO -0.03 -0.19 -0.11 -0.48 -1.11 0.00 0.00 175.55 173.63 1h23 s LEU 97 N -3.08 2.52 0.01 -1.29 0.05 0.26 -3.24 118.68 113.91 1h23 s LEU 97 Ca 0.16 -1.03 0.07 0.00 0.05 0.00 0.00 54.13 53.37 1h23 s LEU 97 Cb 0.06 -0.47 -0.02 0.00 -2.05 0.00 0.00 46.19 43.70 1h23 s LEU 97 CO -0.02 -0.28 -0.21 0.20 -0.55 0.00 0.00 176.35 175.49 1h23 s ASN 98 N -3.24 2.49 -0.06 1.48 0.01 -0.12 -1.27 114.94 114.22 1h23 s ASN 98 Ca 0.20 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 1h23 s ASN 98 Cb 0.02 -0.25 0.01 0.00 0.41 0.00 0.00 41.25 41.44 1h23 s ASN 98 CO 0.04 0.22 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.09 1h23 s ILE 99 N -0.62 1.16 -0.17 0.60 1.01 0.11 -1.08 121.20 122.20 1h23 s ILE 99 Ca 0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1h23 s ILE 99 Cb -0.08 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1h23 s ILE 99 CO 0.00 0.36 -0.08 0.26 0.00 0.00 0.00 174.94 175.48 1h23 s TRP 100 N 0.56 2.90 -0.14 3.97 0.51 0.44 -0.58 118.94 126.59 1h23 s TRP 100 Ca -0.13 -0.76 0.02 0.00 -2.12 0.00 0.00 56.10 53.11 1h23 s TRP 100 Cb -0.15 -1.97 0.01 0.00 -0.81 0.00 0.00 33.47 30.55 1h23 s TRP 100 CO 0.03 -0.35 -0.19 0.08 -0.51 0.00 0.00 176.95 176.01 1h23 s VAL 101 N 0.86 1.89 0.68 4.03 1.01 -0.13 -1.13 120.40 127.60 1h23 s VAL 101 Ca -0.02 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1h23 s VAL 101 Cb -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1h23 s VAL 101 CO 0.01 0.51 0.56 -2.65 0.00 0.00 0.00 175.10 173.53 1h23 n PRO 102 N 4.31 0.40 -4.76 2.72 -0.02 -1.26 -1.66 135.00 134.73 1h23 n PRO 102 Ca -0.20 0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.15 1h23 n PRO 102 Cb 0.51 -1.82 -0.17 0.00 -0.02 0.00 0.00 33.50 32.00 1h23 n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1h23 s SER 103 N -1.38 2.83 0.62 2.55 0.15 -1.26 -3.11 113.70 114.10 1h23 s SER 103 Ca 0.67 -0.52 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 1h23 s SER 103 Cb -0.38 -1.30 -0.02 0.00 -1.71 0.00 0.00 66.02 62.61 1h23 s SER 103 CO 0.56 0.08 1.15 -2.16 1.20 0.00 0.00 173.24 174.08 1h23 s PRO 104 N 0.72 2.92 -0.23 5.44 0.04 -1.26 -4.97 135.00 137.65 1h23 s PRO 104 Ca -0.11 1.62 -0.39 0.00 0.04 0.00 0.00 61.00 62.16 1h23 s PRO 104 Cb -0.16 -1.95 -0.15 0.00 0.04 0.00 0.00 34.50 32.28 1h23 s PRO 104 CO 0.02 -1.20 1.73 -2.13 0.04 0.00 0.00 177.00 175.46 1h23 n ARG 105 N -1.91 1.27 -0.79 4.56 0.63 -1.18 -4.94 116.66 114.31 1h23 n ARG 105 Ca 0.12 0.47 -0.29 0.00 -0.92 0.00 0.00 57.85 57.23 1h23 n ARG 105 Cb 0.51 -2.17 0.22 0.00 0.45 0.00 0.00 32.46 31.47 1h23 n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1h23 s PRO 106 N 3.39 -0.28 -0.25 -0.14 0.02 -1.26 -4.99 135.00 131.48 1h23 s PRO 106 Ca 0.97 0.78 0.01 0.00 0.02 0.00 0.00 61.00 62.77 1h23 s PRO 106 Cb -1.02 -1.63 -0.17 0.00 0.02 0.00 0.00 34.50 31.70 1h23 s PRO 106 CO 0.63 -3.28 -0.21 1.63 -0.33 0.00 0.00 177.00 175.44 1h23 n LYS 107 N -4.60 0.65 -2.88 5.54 4.76 -1.26 -4.08 118.16 116.30 1h23 n LYS 107 Ca 0.04 0.16 -0.04 0.00 -2.87 0.00 0.00 58.31 55.61 1h23 n LYS 107 Cb 0.55 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 1h23 n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1h23 s SER 108 N -6.60 -1.33 0.26 4.39 0.15 -1.04 -4.54 113.70 104.98 1h23 s SER 108 Ca -0.35 -1.60 0.11 0.00 0.70 0.00 0.00 55.95 54.81 1h23 s SER 108 Cb 0.09 1.81 -0.05 0.00 -1.71 0.00 0.00 66.02 66.17 1h23 s SER 108 CO 0.60 -0.08 -0.15 0.28 1.20 0.00 0.00 173.24 175.10 1h23 s THR 109 N 1.04 2.78 0.22 6.45 -1.32 0.12 -4.65 115.64 120.27 1h23 s THR 109 Ca 0.27 -2.16 -0.31 0.00 -1.21 0.00 0.00 61.69 58.28 1h23 s THR 109 Cb -0.01 -2.44 -0.15 0.00 -1.51 0.00 0.00 72.50 68.39 1h23 s THR 109 CO -0.06 -0.33 1.20 0.41 -2.21 0.00 0.00 174.62 173.63 1h23 n THR 110 N -0.51 1.15 -4.73 5.08 -1.04 -1.26 -0.80 114.28 112.17 1h23 n THR 110 Ca -0.07 -0.29 -0.33 0.00 -2.04 0.00 0.00 64.05 61.32 1h23 n THR 110 Cb 0.59 -1.06 -0.13 0.00 -1.82 0.00 0.00 70.33 67.91 1h23 n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1h23 s VAL 111 N -0.34 3.33 -0.09 12.58 1.01 -0.91 -1.71 120.40 134.27 1h23 s VAL 111 Ca 0.69 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1h23 s VAL 111 Cb -0.76 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1h23 s VAL 111 CO 0.53 0.56 -0.20 -0.04 0.00 0.00 0.00 175.10 175.95 1h23 s MET 112 N -0.30 2.60 -0.21 2.72 -1.94 -0.81 -0.36 119.30 121.00 1h23 s MET 112 Ca 0.03 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.30 1h23 s MET 112 Cb -0.13 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 34.75 1h23 s MET 112 CO 0.03 0.13 -0.12 0.08 -0.01 0.00 0.00 175.02 175.13 1h23 s VAL 113 N 0.43 1.85 -0.07 -6.03 1.01 0.34 0.04 120.40 117.97 1h23 s VAL 113 Ca -0.17 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 1h23 s VAL 113 Cb -0.17 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1h23 s VAL 113 CO 0.07 0.19 0.63 0.86 0.00 0.00 0.00 175.10 176.86 1h23 s TRP 114 N 1.30 3.57 -0.27 5.22 -0.11 0.17 -1.01 118.94 127.81 1h23 s TRP 114 Ca -0.02 1.16 -0.02 0.00 1.22 0.00 0.00 56.10 58.44 1h23 s TRP 114 Cb -0.17 -2.72 0.03 0.00 -1.50 0.00 0.00 33.47 29.12 1h23 s TRP 114 CO -0.08 0.14 -0.04 0.42 -4.62 0.00 0.00 176.95 172.76 1h23 s ILE 115 N 0.64 2.90 0.92 5.86 1.01 -0.30 -2.08 121.20 130.16 1h23 s ILE 115 Ca 0.34 -1.16 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 1h23 s ILE 115 Cb -0.17 -2.55 0.14 0.00 0.01 0.00 0.00 42.46 39.89 1h23 s ILE 115 CO 0.16 0.08 1.10 -0.72 0.00 0.00 0.00 174.94 175.57 1h23 s TYR 116 N 1.29 1.97 -0.41 3.97 -0.85 -1.26 -3.78 117.35 118.28 1h23 s TYR 116 Ca -0.02 1.50 0.10 0.00 -0.52 0.00 0.00 57.07 58.13 1h23 s TYR 116 Cb -0.18 -3.19 0.37 0.00 0.38 0.00 0.00 41.96 39.34 1h23 s TYR 116 CO -0.03 -2.65 1.15 0.41 -1.52 0.00 0.00 175.55 172.91 1h23 n GLY 117 N -0.37 1.37 3.33 5.49 0.00 -1.25 -3.62 105.19 110.14 1h23 n GLY 117 Ca 0.08 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1h23 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h23 n GLY 118 N -0.10 3.04 2.26 -0.02 0.00 -0.91 -1.46 105.19 108.00 1h23 n GLY 118 Ca 0.05 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1h23 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h23 n GLY 119 N 5.03 0.24 3.60 -0.02 0.00 -1.26 -1.50 105.19 111.27 1h23 n GLY 119 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1h23 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h23 n PHE 120 N -2.79 0.00 0.33 1.61 3.72 -1.26 -4.77 117.46 114.29 1h23 n PHE 120 Ca -0.15 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.29 1h23 n PHE 120 Cb 0.54 -1.11 -0.02 0.00 -0.94 0.00 0.00 39.48 37.96 1h23 n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1h23 n TYR 121 N -2.03 0.00 -3.95 1.38 0.18 -0.63 -0.14 117.16 111.96 1h23 n TYR 121 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 1h23 n TYR 121 Cb 0.04 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.97 1h23 n TYR 121 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1h23 s SER 122 N -1.33 0.14 0.00 9.48 1.04 -0.56 -4.03 113.70 118.45 1h23 s SER 122 Ca 0.05 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1h23 s SER 122 Cb 0.06 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1h23 s SER 122 CO 0.22 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1h23 n GLY 123 N -0.47 4.24 3.11 7.32 0.00 -1.26 -2.13 105.19 115.99 1h23 n GLY 123 Ca -0.03 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 1h23 n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h23 s SER 124 N 0.00 -0.02 0.00 1.61 0.01 -1.26 -4.62 113.70 109.42 1h23 s SER 124 Ca 0.00 -0.10 0.28 0.00 1.31 0.00 0.00 55.95 57.45 1h23 s SER 124 Cb 0.00 0.24 1.13 0.00 0.21 0.00 0.00 66.02 67.60 1h23 s SER 124 CO 0.00 -0.32 1.79 -1.54 0.41 0.00 0.00 173.24 173.58 1h23 n SER 125 N 1.70 1.33 -0.71 2.44 3.41 -1.26 -4.03 113.62 116.50 1h23 n SER 125 Ca -0.21 -1.43 0.08 0.00 -0.26 0.00 0.00 58.87 57.05 1h23 n SER 125 Cb 0.56 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.63 1h23 n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1h23 n THR 126 N 0.03 0.37 -1.59 6.66 -2.24 -1.26 -4.88 114.28 111.37 1h23 n THR 126 Ca 0.19 -0.68 -0.37 0.00 -2.27 0.00 0.00 64.05 60.92 1h23 n THR 126 Cb 0.33 1.02 0.06 0.00 -2.10 0.00 0.00 70.33 69.64 1h23 n THR 126 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1h23 n LEU 127 N 0.88 4.18 -0.18 3.22 4.77 -1.26 -4.88 117.00 123.72 1h23 n LEU 127 Ca 0.12 0.77 -0.00 0.00 -0.03 0.00 0.00 56.01 56.86 1h23 n LEU 127 Cb 0.42 -1.43 0.24 0.00 -2.33 0.00 0.00 43.42 40.32 1h23 n LEU 127 CO 0.10 -1.74 1.16 0.44 -1.33 0.00 0.00 177.39 176.02 1h23 h ASP 128 N 0.30 0.82 0.43 -1.43 3.32 -1.96 -0.11 116.42 117.79 1h23 h ASP 128 Ca -0.49 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1h23 h ASP 128 Cb 1.35 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1h23 h ASP 128 CO 0.50 0.66 0.00 1.33 -1.72 0.00 0.00 179.24 180.01 1h23 n VAL 129 N -4.38 1.05 -0.37 -1.35 0.24 -1.26 -2.12 118.33 110.14 1h23 n VAL 129 Ca 0.07 0.26 0.10 0.00 -2.04 0.00 0.00 64.34 62.73 1h23 n VAL 129 Cb 0.09 -1.04 0.29 0.00 -1.47 0.00 0.00 33.84 31.71 1h23 n VAL 129 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1h23 n TYR 130 N -1.48 0.93 -1.59 6.34 4.01 -0.06 -4.72 117.16 120.58 1h23 n TYR 130 Ca 0.04 -0.52 -0.44 0.00 -0.16 0.00 0.00 57.90 56.81 1h23 n TYR 130 Cb 0.15 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1h23 n TYR 130 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1h23 n ASN 131 N 1.26 3.21 0.00 7.72 2.85 -0.90 -4.84 115.26 124.56 1h23 n ASN 131 Ca 0.22 0.25 0.14 0.00 -0.11 0.00 0.00 54.58 55.08 1h23 n ASN 131 Cb 0.62 -1.53 0.77 0.00 1.24 0.00 0.00 39.78 40.88 1h23 n ASN 131 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1h23 n GLY 132 N 5.77 -1.06 0.33 8.20 0.00 -1.26 -4.07 105.19 113.09 1h23 n GLY 132 Ca 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1h23 n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1h23 h LYS 133 N 0.00 0.98 -0.59 1.61 2.10 -1.92 -0.99 116.57 117.75 1h23 h LYS 133 Ca 0.00 -0.15 -0.09 0.00 -2.00 0.00 0.00 60.65 58.42 1h23 h LYS 133 Cb 0.14 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.28 1h23 h LYS 133 CO 0.00 0.78 0.03 1.88 -2.00 0.00 0.00 179.45 180.14 1h23 h TYR 134 N 0.96 1.08 -0.01 0.07 -1.99 -1.81 0.10 116.97 115.38 1h23 h TYR 134 Ca 0.23 -0.17 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 1h23 h TYR 134 Cb 0.15 -0.29 0.01 0.00 2.00 0.00 0.00 36.73 38.60 1h23 h TYR 134 CO 0.01 0.95 -0.30 1.25 -0.00 0.00 0.00 178.16 180.07 1h23 h LEU 135 N 0.93 0.29 -0.65 3.88 5.85 -1.70 -0.71 115.31 123.20 1h23 h LEU 135 Ca 0.18 -0.74 0.03 0.00 0.84 0.00 0.00 57.88 58.18 1h23 h LEU 135 Cb 0.50 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1h23 h LEU 135 CO 0.02 0.99 0.41 0.00 -0.34 0.00 0.00 178.44 179.52 1h23 h ALA 136 N 0.30 0.84 0.34 1.25 0.00 -1.09 -1.35 119.26 119.56 1h23 h ALA 136 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1h23 h ALA 136 Cb 1.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1h23 h ALA 136 CO 0.06 0.17 -0.17 -0.92 0.00 0.00 0.00 179.25 178.39 1h23 h TYR 137 N 0.80 -0.43 -0.70 0.00 5.03 -0.84 -1.60 116.97 119.22 1h23 h TYR 137 Ca 0.26 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.54 1h23 h TYR 137 Cb 0.01 0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 1h23 h TYR 137 CO -0.05 -0.09 0.35 1.15 -1.32 0.00 0.00 178.16 178.20 1h23 h THR 138 N -0.86 1.22 -0.10 1.81 2.02 -1.05 -3.12 112.91 112.83 1h23 h THR 138 Ca -0.05 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1h23 h THR 138 Cb 0.53 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1h23 h THR 138 CO 0.08 0.25 0.00 -0.62 0.37 0.00 0.00 175.52 175.60 1h23 n GLU 139 N -4.35 1.79 -3.41 6.66 -0.58 -0.52 -5.00 120.64 115.23 1h23 n GLU 139 Ca 0.07 -1.74 -0.17 0.00 -0.42 0.00 0.00 57.16 54.90 1h23 n GLU 139 Cb 0.12 -1.38 0.08 0.00 -0.57 0.00 0.00 31.44 29.69 1h23 n GLU 139 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1h23 n GLU 140 N 1.09 -5.10 -4.37 3.49 2.13 -0.62 -5.03 120.64 112.22 1h23 n GLU 140 Ca 0.12 0.82 -0.21 0.00 0.66 0.00 0.00 57.16 58.55 1h23 n GLU 140 Cb 0.49 -5.75 -0.10 0.00 0.27 0.00 0.00 31.44 26.34 1h23 n GLU 140 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1h23 s VAL 141 N -3.40 1.96 -0.33 6.31 -7.23 -1.09 -4.67 120.40 111.95 1h23 s VAL 141 Ca 0.14 -2.16 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 1h23 s VAL 141 Cb -0.02 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.87 1h23 s VAL 141 CO 0.74 -0.45 0.70 -0.69 -0.31 0.00 0.00 175.10 175.10 1h23 s VAL 142 N -2.54 4.84 -0.24 1.32 1.01 -0.70 -4.41 120.40 119.69 1h23 s VAL 142 Ca 0.22 0.86 -0.10 0.00 0.00 0.00 0.00 61.98 62.97 1h23 s VAL 142 Cb -0.04 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1h23 s VAL 142 CO 0.09 -0.28 0.13 -0.22 0.00 0.00 0.00 175.10 174.82 1h23 s LEU 143 N 2.83 3.94 -0.10 3.92 0.20 -0.29 -1.93 118.68 127.26 1h23 s LEU 143 Ca 0.28 0.04 0.02 0.00 0.69 0.00 0.00 54.13 55.16 1h23 s LEU 143 Cb -0.14 -2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 43.55 1h23 s LEU 143 CO 0.14 0.05 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.40 1h23 s VAL 144 N 1.12 2.78 -0.13 1.68 1.01 0.11 -0.42 120.40 126.55 1h23 s VAL 144 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1h23 s VAL 144 Cb -0.14 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1h23 s VAL 144 CO 0.05 0.55 -0.17 -0.94 0.00 0.00 0.00 175.10 174.59 1h23 s SER 145 N 0.00 3.64 0.10 3.32 1.04 -0.24 0.41 113.70 121.98 1h23 s SER 145 Ca -0.05 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1h23 s SER 145 Cb -0.15 -1.54 0.02 0.00 0.10 0.00 0.00 66.02 64.45 1h23 s SER 145 CO 0.04 0.15 0.12 0.00 0.98 0.00 0.00 173.24 174.54 1h23 n LEU 146 N 3.63 0.00 -4.08 2.42 -0.00 -0.88 -0.95 117.00 117.14 1h23 n LEU 146 Ca -0.19 -0.48 -0.10 0.00 -0.00 0.00 0.00 56.01 55.24 1h23 n LEU 146 Cb 0.53 -0.06 -0.08 0.00 -0.00 0.00 0.00 43.42 43.81 1h23 n LEU 146 CO 0.29 -0.47 -0.12 -0.94 -0.00 0.00 0.00 177.39 176.16 1h23 s SER 147 N -1.64 0.12 -0.11 1.45 1.04 -1.20 -4.55 113.70 108.81 1h23 s SER 147 Ca 0.09 -1.11 -0.30 0.00 0.48 0.00 0.00 55.95 55.11 1h23 s SER 147 Cb -0.01 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.63 1h23 s SER 147 CO 0.06 -0.88 0.88 -0.72 0.98 0.00 0.00 173.24 173.56 1h23 s TYR 148 N -4.05 -0.47 0.34 5.02 1.13 -1.26 -4.46 117.35 113.60 1h23 s TYR 148 Ca 0.26 0.79 -0.29 0.00 -1.41 0.00 0.00 57.07 56.42 1h23 s TYR 148 Cb 0.05 0.44 -0.11 0.00 -1.10 0.00 0.00 41.96 41.24 1h23 s TYR 148 CO 0.05 -0.45 1.47 1.03 -2.51 0.00 0.00 175.55 175.14 1h23 s ARG 149 N -1.23 4.18 0.47 -3.49 0.52 -1.26 -4.90 118.95 113.24 1h23 s ARG 149 Ca -0.05 2.47 0.04 0.00 -0.52 0.00 0.00 55.73 57.67 1h23 s ARG 149 Cb -0.00 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 1h23 s ARG 149 CO 0.04 -0.47 0.07 0.14 0.02 0.00 0.00 175.30 175.09 1h23 s VAL 150 N -0.76 1.59 0.00 3.52 -7.23 -1.26 -4.13 120.40 112.13 1h23 s VAL 150 Ca 0.55 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1h23 s VAL 150 Cb -0.45 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 33.99 1h23 s VAL 150 CO 0.56 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 1h23 n GLY 151 N -1.23 0.91 0.37 2.32 0.00 0.80 -2.43 105.19 105.93 1h23 n GLY 151 Ca -0.11 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.23 1h23 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h23 h ALA 152 N -0.96 1.63 -0.33 4.61 0.00 -1.90 -0.02 119.26 122.29 1h23 h ALA 152 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1h23 h ALA 152 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1h23 h ALA 152 CO 0.00 0.11 0.22 0.74 0.00 0.00 0.00 179.25 180.33 1h23 h PHE 153 N 0.88 0.24 0.00 0.00 0.04 -1.91 -1.28 116.94 114.92 1h23 h PHE 153 Ca 0.49 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.26 1h23 h PHE 153 Cb 0.59 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1h23 h PHE 153 CO -0.00 0.14 -1.66 0.41 -0.60 0.00 0.00 178.31 176.59 1h23 n GLY 154 N -1.53 -0.76 0.00 -1.45 0.00 -0.55 -4.21 105.19 96.69 1h23 n GLY 154 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1h23 n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h23 n PHE 155 N -2.01 0.00 -1.68 1.61 3.72 -0.13 -1.05 117.46 117.92 1h23 n PHE 155 Ca -0.02 -0.09 -0.45 0.00 -0.05 0.00 0.00 57.45 56.83 1h23 n PHE 155 Cb 0.43 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.92 1h23 n PHE 155 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1h23 n LEU 156 N -0.09 3.33 -3.87 4.37 7.94 -0.50 -4.48 117.00 123.71 1h23 n LEU 156 Ca 0.00 1.07 -0.29 0.00 -1.11 0.00 0.00 56.01 55.68 1h23 n LEU 156 Cb 0.34 -1.46 -0.16 0.00 0.53 0.00 0.00 43.42 42.67 1h23 n LEU 156 CO 0.00 -0.16 -0.41 0.00 -1.11 0.00 0.00 177.39 175.71 1h23 s ALA 157 N 1.24 1.49 -0.70 1.96 0.00 -1.26 -3.27 121.76 121.22 1h23 s ALA 157 Ca 0.79 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.87 1h23 s ALA 157 Cb -0.64 -1.22 0.20 0.00 0.00 0.00 0.00 23.12 21.47 1h23 s ALA 157 CO 0.38 -0.98 0.61 1.28 0.00 0.00 0.00 175.76 177.05 1h23 n LEU 158 N 4.86 3.40 -4.54 0.00 4.77 -0.13 -2.64 117.00 122.73 1h23 n LEU 158 Ca -0.11 -5.30 -0.53 0.00 -0.03 0.00 0.00 56.01 50.04 1h23 n LEU 158 Cb 0.47 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1h23 n LEU 158 CO 0.16 1.86 0.66 1.57 -1.33 0.00 0.00 177.39 180.31 1h23 n HIS 159 N 1.56 0.99 0.00 -1.77 -0.00 -1.26 -1.97 115.22 112.77 1h23 n HIS 159 Ca 0.24 0.81 0.00 0.00 -0.00 0.00 0.00 57.72 58.77 1h23 n HIS 159 Cb 0.37 -2.21 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 1h23 n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1h23 n GLY 160 N 2.00 2.20 3.80 1.57 0.00 -1.26 -5.06 105.19 108.44 1h23 n GLY 160 Ca 0.18 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1h23 n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h23 s SER 161 N 0.13 7.21 0.00 1.61 0.15 -0.83 -4.94 113.70 117.02 1h23 s SER 161 Ca 0.00 1.70 0.22 0.00 0.70 0.00 0.00 55.95 58.56 1h23 s SER 161 Cb 0.00 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.68 1h23 s SER 161 CO 0.00 -0.08 1.00 0.00 1.20 0.00 0.00 173.24 175.36 1h23 n GLN 162 N 0.44 0.28 0.08 5.44 1.13 -1.26 -3.61 117.38 119.87 1h23 n GLN 162 Ca 0.01 -0.23 -0.12 0.00 -1.94 0.00 0.00 57.00 54.73 1h23 n GLN 162 Cb 0.51 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.32 1h23 n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1h23 h GLU 163 N 0.55 0.32 -1.44 -1.09 4.39 -1.92 -3.40 114.58 111.98 1h23 h GLU 163 Ca 0.00 -0.37 -0.42 0.00 0.34 0.00 0.00 59.36 58.92 1h23 h GLU 163 Cb 0.56 0.11 -0.29 0.00 -0.10 0.00 0.00 28.75 29.02 1h23 h GLU 163 CO 0.00 1.07 -0.83 0.00 -1.16 0.00 0.00 179.01 178.09 1h23 n ALA 164 N -2.51 0.90 0.43 3.43 0.00 -1.26 -3.21 120.51 118.29 1h23 n ALA 164 Ca -0.06 -2.46 0.13 0.00 0.00 0.00 0.00 53.44 51.05 1h23 n ALA 164 Cb 0.85 -1.03 0.43 0.00 0.00 0.00 0.00 19.45 19.70 1h23 n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1h23 h PRO 165 N 4.55 0.00 0.00 0.00 0.13 -1.73 -0.31 132.00 134.63 1h23 h PRO 165 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1h23 h PRO 165 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1h23 h PRO 165 CO 0.34 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.52 1h23 n GLY 166 N 0.71 1.38 2.81 1.56 0.00 -1.20 -4.35 105.19 106.09 1h23 n GLY 166 Ca 0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 1h23 n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h23 n ASN 167 N -0.32 -5.57 0.21 1.61 3.02 -1.26 -4.86 115.26 108.09 1h23 n ASN 167 Ca 0.00 0.11 0.06 0.00 -0.03 0.00 0.00 54.58 54.72 1h23 n ASN 167 Cb 0.00 -3.45 0.48 0.00 -0.61 0.00 0.00 39.78 36.20 1h23 n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1h23 h VAL 168 N 0.00 1.01 -0.34 2.41 -1.51 -1.83 0.35 116.25 116.33 1h23 h VAL 168 Ca -0.09 -0.97 -0.05 0.00 -1.23 0.00 0.00 66.70 64.36 1h23 h VAL 168 Cb 0.97 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 1h23 h VAL 168 CO 0.13 0.26 0.01 1.23 -1.23 0.00 0.00 177.57 177.97 1h23 h GLY 169 N 1.04 0.57 1.34 5.19 0.00 -1.30 0.65 103.07 110.56 1h23 h GLY 169 Ca -0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 1h23 h GLY 169 CO 0.03 0.31 -0.61 1.41 0.00 0.00 0.00 176.54 177.69 1h23 h LEU 170 N 0.51 0.77 -1.24 3.11 3.38 -1.26 -2.47 115.31 118.11 1h23 h LEU 170 Ca 0.11 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1h23 h LEU 170 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1h23 h LEU 170 CO 0.01 1.19 -0.09 -0.07 0.09 0.00 0.00 178.44 179.58 1h23 h LEU 171 N 0.51 0.39 -0.30 1.67 3.38 -0.08 -0.89 115.31 119.98 1h23 h LEU 171 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1h23 h LEU 171 Cb 1.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1h23 h LEU 171 CO 0.12 0.52 0.19 0.44 0.09 0.00 0.00 178.44 179.81 1h23 h ASP 172 N 0.39 0.35 -0.48 -0.43 3.32 0.51 0.51 116.42 120.59 1h23 h ASP 172 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1h23 h ASP 172 Cb 0.40 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1h23 h ASP 172 CO 0.02 0.27 0.27 1.56 -1.72 0.00 0.00 179.24 179.64 1h23 h GLN 173 N 0.40 0.66 -0.88 3.56 4.20 -1.03 -1.66 115.11 120.37 1h23 h GLN 173 Ca 0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1h23 h GLN 173 Cb -0.03 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 1h23 h GLN 173 CO -0.02 0.51 0.52 -0.09 -0.67 0.00 0.00 178.83 179.08 1h23 h ARG 174 N 0.63 1.20 -0.79 1.46 2.43 -0.84 -0.32 114.38 118.15 1h23 h ARG 174 Ca 0.17 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1h23 h ARG 174 Cb 0.03 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 1h23 h ARG 174 CO -0.03 0.84 0.34 1.98 -1.51 0.00 0.00 179.97 181.59 1h23 h MET 175 N 1.21 1.17 -0.37 0.20 4.05 -0.28 0.31 114.93 121.22 1h23 h MET 175 Ca 0.31 -0.19 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 1h23 h MET 175 Cb -0.04 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.54 1h23 h MET 175 CO -0.06 0.93 -0.15 0.00 0.23 0.00 0.00 176.91 177.86 1h23 h ALA 176 N 1.22 1.05 -0.17 0.39 0.00 -0.89 0.71 119.26 121.57 1h23 h ALA 176 Ca 0.27 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1h23 h ALA 176 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1h23 h ALA 176 CO -0.03 0.58 -0.45 -0.07 0.00 0.00 0.00 179.25 179.29 1h23 h LEU 177 N 0.61 0.43 -0.36 0.00 3.38 0.25 -0.09 115.31 119.53 1h23 h LEU 177 Ca 0.10 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1h23 h LEU 177 Cb 0.60 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1h23 h LEU 177 CO 0.04 0.82 0.09 -0.61 0.09 0.00 0.00 178.44 178.87 1h23 h GLN 178 N 0.33 0.58 -0.60 1.13 5.75 -0.02 -0.98 115.11 121.31 1h23 h GLN 178 Ca 0.02 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.35 1h23 h GLN 178 Cb 0.92 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.36 1h23 h GLN 178 CO 0.08 0.62 0.23 2.35 -2.65 0.00 0.00 178.83 179.46 1h23 h TRP 179 N 0.44 0.93 -0.29 3.99 7.01 -0.49 -0.71 115.95 126.83 1h23 h TRP 179 Ca 0.11 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 1h23 h TRP 179 Cb 0.30 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1h23 h TRP 179 CO 0.02 0.75 0.16 0.28 -2.79 0.00 0.00 178.44 176.85 1h23 h VAL 180 N 0.84 1.13 -0.53 2.65 2.07 -0.86 0.65 116.25 122.20 1h23 h VAL 180 Ca 0.20 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1h23 h VAL 180 Cb 0.22 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1h23 h VAL 180 CO -0.01 0.13 0.27 -0.74 0.02 0.00 0.00 177.57 177.23 1h23 h HIS 181 N 0.35 0.48 0.00 1.57 -0.00 -0.99 0.13 115.15 116.69 1h23 h HIS 181 Ca 0.10 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.44 1h23 h HIS 181 Cb 0.07 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 1h23 h HIS 181 CO -0.03 0.23 -0.24 -0.44 -0.00 0.00 0.00 177.93 177.45 1h23 h ASP 182 N 0.51 0.00 0.00 3.26 3.32 -0.80 -3.40 116.42 119.31 1h23 h ASP 182 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1h23 h ASP 182 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1h23 h ASP 182 CO -0.17 0.24 -0.33 0.59 -1.72 0.00 0.00 179.24 177.84 1h23 n ASN 183 N -3.22 1.65 0.16 6.45 3.02 0.19 -4.80 115.26 118.72 1h23 n ASN 183 Ca 0.02 -0.15 0.17 0.00 -0.03 0.00 0.00 54.58 54.59 1h23 n ASN 183 Cb 0.56 0.63 0.77 0.00 -0.61 0.00 0.00 39.78 41.13 1h23 n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1h23 h ILE 184 N 0.00 0.59 -0.37 2.41 6.09 -0.90 -2.00 117.51 123.32 1h23 h ILE 184 Ca 0.00 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.51 1h23 h ILE 184 Cb 0.00 0.83 -0.02 0.00 0.47 0.00 0.00 36.82 38.10 1h23 h ILE 184 CO 0.00 0.00 0.25 0.06 -3.07 0.00 0.00 178.15 175.39 1h23 h GLN 185 N 0.00 0.42 0.00 2.19 3.07 -1.79 -0.37 115.11 118.63 1h23 h GLN 185 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.83 1h23 h GLN 185 Cb 0.56 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.02 1h23 h GLN 185 CO -0.00 0.28 0.00 0.74 0.09 0.00 0.00 178.83 179.93 1h23 h PHE 186 N 0.43 0.00 -0.20 0.06 0.04 -1.65 -1.68 116.94 113.95 1h23 h PHE 186 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1h23 h PHE 186 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1h23 h PHE 186 CO -0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 1h23 n PHE 187 N -2.78 0.24 -0.14 -0.55 3.01 -0.25 -4.83 117.46 112.16 1h23 n PHE 187 Ca 0.01 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1h23 n PHE 187 Cb 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 1h23 n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h23 n GLY 188 N 1.39 0.57 3.86 1.37 0.00 -0.63 -4.58 105.19 107.16 1h23 n GLY 188 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1h23 n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h23 s GLY 189 N -1.24 2.18 -0.47 -0.02 0.00 -0.59 -0.71 107.32 106.47 1h23 s GLY 189 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 1h23 s GLY 189 CO 0.00 0.17 0.68 -0.35 0.00 0.00 0.00 173.10 173.61 1h23 s ASP 190 N -2.63 6.31 0.48 1.64 2.15 0.02 -3.27 116.67 121.37 1h23 s ASP 190 Ca 0.54 -0.47 0.32 0.00 0.43 0.00 0.00 52.55 53.37 1h23 s ASP 190 Cb -0.10 -2.33 1.61 0.00 -0.30 0.00 0.00 42.92 41.80 1h23 s ASP 190 CO 0.23 -0.87 1.98 1.55 -0.17 0.00 0.00 175.17 177.89 1h23 h PRO 191 N 8.97 0.00 -0.17 4.34 0.13 -1.90 -1.14 132.00 142.23 1h23 h PRO 191 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1h23 h PRO 191 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1h23 h PRO 191 CO 0.94 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 179.07 1h23 n LYS 192 N -2.71 1.72 -2.90 0.86 2.85 -1.26 -4.20 118.16 112.53 1h23 n LYS 192 Ca -0.01 -1.08 -0.18 0.00 -1.05 0.00 0.00 58.31 55.99 1h23 n LYS 192 Cb 0.14 -1.39 -0.01 0.00 -0.65 0.00 0.00 35.03 33.12 1h23 n LYS 192 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1h23 n THR 193 N 0.31 1.04 -3.72 0.58 -1.04 -0.43 -4.75 114.28 106.27 1h23 n THR 193 Ca 0.16 -4.32 -0.36 0.00 -2.04 0.00 0.00 64.05 57.49 1h23 n THR 193 Cb 0.32 -0.29 -0.09 0.00 -1.82 0.00 0.00 70.33 68.46 1h23 n THR 193 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1h23 s VAL 194 N -3.37 5.35 -0.20 12.58 0.11 -1.25 -2.13 120.40 131.49 1h23 s VAL 194 Ca 0.38 0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 59.55 1h23 s VAL 194 Cb 0.38 -3.46 -0.03 0.00 -1.53 0.00 0.00 36.38 31.74 1h23 s VAL 194 CO -0.07 0.41 0.03 -0.89 -3.33 0.00 0.00 175.10 171.25 1h23 s THR 195 N 0.63 4.30 -0.06 5.04 2.01 0.52 -0.35 115.64 127.72 1h23 s THR 195 Ca 0.08 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 1h23 s THR 195 Cb -0.12 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 1h23 s THR 195 CO 0.01 0.43 0.31 0.27 -0.69 0.00 0.00 174.62 174.94 1h23 s ILE 196 N 0.81 5.22 -0.01 1.82 -4.36 -0.79 -0.50 121.20 123.40 1h23 s ILE 196 Ca 0.02 0.60 -0.06 0.00 -0.26 0.00 0.00 60.65 60.95 1h23 s ILE 196 Cb -0.14 -3.60 0.00 0.00 1.25 0.00 0.00 42.46 39.97 1h23 s ILE 196 CO 0.02 0.56 0.11 0.72 0.24 0.00 0.00 174.94 176.60 1h23 s PHE 197 N -0.82 0.03 0.12 1.37 -0.71 -0.18 -1.46 117.98 116.33 1h23 s PHE 197 Ca 0.20 -0.09 -0.25 0.00 -1.04 0.00 0.00 56.93 55.75 1h23 s PHE 197 Cb -0.15 -0.05 0.07 0.00 -1.21 0.00 0.00 43.02 41.69 1h23 s PHE 197 CO 0.09 -0.23 0.77 0.20 -1.34 0.00 0.00 175.22 174.71 1h23 s GLY 198 N -1.09 -0.44 0.14 1.99 0.00 -1.14 -1.15 107.32 105.63 1h23 s GLY 198 Ca -0.12 0.51 0.11 0.00 0.00 0.00 0.00 44.72 45.22 1h23 s GLY 198 CO 0.01 0.16 -0.24 1.85 0.00 0.00 0.00 173.10 174.88 1h23 s GLU 199 N -3.48 1.52 5.71 2.90 -6.30 -1.25 -1.68 118.70 116.12 1h23 s GLU 199 Ca 0.05 -1.35 0.00 0.00 -2.50 0.00 0.00 54.97 51.17 1h23 s GLU 199 Cb -0.02 -1.94 0.00 0.00 0.00 0.00 0.00 34.13 32.18 1h23 s GLU 199 CO -0.07 0.44 0.00 0.45 0.02 0.00 0.00 175.26 176.11 1h23 n SER 200 N 0.72 0.00 0.29 -1.70 2.88 0.46 -0.23 113.62 116.05 1h23 n SER 200 Ca -0.16 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.56 1h23 n SER 200 Cb 0.54 0.00 0.97 0.00 -0.75 0.00 0.00 64.21 64.97 1h23 n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h23 h ALA 201 N -0.71 1.40 -0.00 -1.46 0.00 -1.55 0.19 119.26 117.12 1h23 h ALA 201 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1h23 h ALA 201 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1h23 h ALA 201 CO 0.00 -0.18 -0.84 0.78 0.00 0.00 0.00 179.25 179.01 1h23 h GLY 202 N 0.00 0.14 1.16 0.00 0.00 -0.66 0.63 103.07 104.33 1h23 h GLY 202 Ca 0.03 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.90 1h23 h GLY 202 CO -0.00 0.22 -0.70 -1.33 0.00 0.00 0.00 176.54 174.73 1h23 h GLY 203 N 2.03 0.90 0.93 4.60 0.00 -0.59 -1.56 103.07 109.39 1h23 h GLY 203 Ca -0.03 -1.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.07 1h23 h GLY 203 CO 0.12 1.07 0.13 0.00 0.00 0.00 0.00 176.54 177.86 1h23 h ALA 204 N 0.59 0.50 -0.48 3.60 0.00 -1.15 -2.11 119.26 120.21 1h23 h ALA 204 Ca -0.03 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1h23 h ALA 204 Cb 1.32 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1h23 h ALA 204 CO 0.15 0.14 0.20 0.77 0.00 0.00 0.00 179.25 180.51 1h23 h SER 205 N 0.47 0.25 -0.50 0.00 0.02 -0.82 0.81 113.55 113.79 1h23 h SER 205 Ca 0.13 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1h23 h SER 205 Cb 0.24 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 1h23 h SER 205 CO -0.01 0.18 0.23 0.58 -1.14 0.00 0.00 176.83 176.67 1h23 h VAL 206 N 0.40 0.91 0.00 2.27 2.07 -1.03 0.59 116.25 121.46 1h23 h VAL 206 Ca 0.22 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1h23 h VAL 206 Cb 0.19 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1h23 h VAL 206 CO -0.19 0.08 -0.28 1.23 0.02 0.00 0.00 177.57 178.43 1h23 h GLY 207 N 0.45 0.00 1.97 2.17 0.00 -0.68 -2.07 103.07 104.91 1h23 h GLY 207 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.46 1h23 h GLY 207 CO -0.18 0.00 -0.46 -0.33 0.00 0.00 0.00 176.54 175.57 1h23 h MET 208 N 0.00 0.04 0.00 4.80 2.86 0.13 -1.56 114.93 121.20 1h23 h MET 208 Ca -0.00 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1h23 h MET 208 Cb 0.49 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1h23 h MET 208 CO 0.04 0.49 -0.59 0.45 1.06 0.00 0.00 176.91 178.36 1h23 h HIS 209 N 0.03 0.00 -0.48 -0.22 3.86 -0.52 0.34 115.15 118.17 1h23 h HIS 209 Ca -0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1h23 h HIS 209 Cb 0.82 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 1h23 h HIS 209 CO 0.00 0.49 -0.18 0.82 0.86 0.00 0.00 177.93 179.93 1h23 h ILE 210 N 0.00 1.27 0.02 2.45 2.04 -1.09 -3.26 117.51 118.94 1h23 h ILE 210 Ca -0.02 -1.32 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 1h23 h ILE 210 Cb 1.39 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1h23 h ILE 210 CO 0.06 0.45 -0.39 -0.07 0.00 0.00 0.00 178.15 178.21 1h23 h LEU 211 N 0.82 0.31 -9.12 1.44 3.38 -1.10 0.18 115.31 111.23 1h23 h LEU 211 Ca 0.12 -0.83 -0.56 0.00 0.09 0.00 0.00 57.88 56.70 1h23 h LEU 211 Cb 0.73 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1h23 h LEU 211 CO 0.06 1.10 1.14 -0.55 0.09 0.00 0.00 178.44 180.28 1h23 s SER 212 N -6.50 6.41 0.29 -0.43 0.15 0.09 -4.66 113.70 109.05 1h23 s SER 212 Ca -0.15 1.87 0.04 0.00 0.70 0.00 0.00 55.95 58.41 1h23 s SER 212 Cb 0.01 -2.53 0.75 0.00 -1.71 0.00 0.00 66.02 62.53 1h23 s SER 212 CO 0.77 -1.19 1.67 -0.65 1.20 0.00 0.00 173.24 175.03 1h23 h PRO 213 N 10.65 0.28 0.00 5.44 0.11 -1.87 -0.65 132.00 145.96 1h23 h PRO 213 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1h23 h PRO 213 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1h23 h PRO 213 CO 0.98 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 179.37 1h23 n GLY 214 N -1.35 -1.01 0.02 -0.55 0.00 -1.26 -2.94 105.19 98.09 1h23 n GLY 214 Ca 0.22 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.25 1h23 n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h23 n SER 215 N -1.65 2.16 -0.28 1.61 7.64 -0.29 -4.75 113.62 118.06 1h23 n SER 215 Ca 0.03 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.07 1h23 n SER 215 Cb 0.17 1.31 0.44 0.00 -1.01 0.00 0.00 64.21 65.12 1h23 n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1h23 h ARG 216 N 0.00 0.54 -0.00 1.43 3.08 -1.34 -2.14 114.38 115.94 1h23 h ARG 216 Ca -0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1h23 h ARG 216 Cb 0.94 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1h23 h ARG 216 CO 0.01 0.35 -0.03 -0.25 -1.07 0.00 0.00 179.97 178.98 1h23 n ASP 217 N -4.59 0.23 -0.22 7.04 8.00 -1.26 -3.80 116.55 121.95 1h23 n ASP 217 Ca 0.20 -0.70 0.13 0.00 0.71 0.00 0.00 54.79 55.14 1h23 n ASP 217 Cb 0.64 -0.10 0.47 0.00 -0.02 0.00 0.00 41.12 42.12 1h23 n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1h23 n LEU 218 N -0.97 0.86 -4.00 0.64 4.77 -0.81 -4.94 117.00 112.55 1h23 n LEU 218 Ca 0.19 -0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1h23 n LEU 218 Cb 0.21 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1h23 n LEU 218 CO 0.21 0.16 0.06 0.72 -1.33 0.00 0.00 177.39 177.21 1h23 s PHE 219 N -2.45 0.47 -0.26 -1.77 -0.71 -1.25 -4.73 117.98 107.28 1h23 s PHE 219 Ca 0.27 -0.81 -0.09 0.00 -1.04 0.00 0.00 56.93 55.27 1h23 s PHE 219 Cb 0.20 0.02 -0.13 0.00 -1.21 0.00 0.00 43.02 41.90 1h23 s PHE 219 CO 0.49 -0.86 -0.30 -2.13 -1.34 0.00 0.00 175.22 171.08 1h23 n ARG 220 N -0.32 0.57 -4.19 1.99 3.00 0.53 -4.95 116.66 113.29 1h23 n ARG 220 Ca -0.03 0.21 -0.12 0.00 -0.00 0.00 0.00 57.85 57.91 1h23 n ARG 220 Cb 0.63 -1.45 -0.09 0.00 0.00 0.00 0.00 32.46 31.55 1h23 n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1h23 s ARG 221 N -2.48 1.27 -0.03 -0.14 0.52 -1.12 -4.67 118.95 112.30 1h23 s ARG 221 Ca -0.35 -1.62 -0.07 0.00 -0.52 0.00 0.00 55.73 53.16 1h23 s ARG 221 Cb 0.12 0.29 0.01 0.00 0.52 0.00 0.00 34.95 35.90 1h23 s ARG 221 CO 0.49 -0.43 0.17 0.00 0.02 0.00 0.00 175.30 175.55 1h23 s ALA 222 N -4.10 -0.41 -0.08 2.13 0.00 -1.17 -1.88 121.76 116.26 1h23 s ALA 222 Ca 0.38 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1h23 s ALA 222 Cb 0.06 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1h23 s ALA 222 CO 0.13 -0.16 -0.11 0.42 0.00 0.00 0.00 175.76 176.04 1h23 s ILE 223 N -0.72 1.13 -0.15 0.00 1.01 -0.54 -1.99 121.20 119.94 1h23 s ILE 223 Ca -0.08 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1h23 s ILE 223 Cb -0.05 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1h23 s ILE 223 CO 0.01 0.36 -0.21 -0.76 0.00 0.00 0.00 174.94 174.34 1h23 s LEU 224 N 0.91 2.15 -0.27 2.97 1.02 -0.43 -2.90 118.68 122.13 1h23 s LEU 224 Ca -0.10 -0.60 -0.03 0.00 0.02 0.00 0.00 54.13 53.42 1h23 s LEU 224 Cb -0.15 -1.47 0.03 0.00 0.02 0.00 0.00 46.19 44.62 1h23 s LEU 224 CO 0.01 0.06 -0.02 -1.10 0.02 0.00 0.00 176.35 175.32 1h23 s GLN 225 N 0.95 2.77 -1.46 1.70 -0.21 -0.67 -1.96 119.66 120.78 1h23 s GLN 225 Ca -0.04 -1.04 -0.05 0.00 0.02 0.00 0.00 55.36 54.26 1h23 s GLN 225 Cb -0.15 -3.12 0.04 0.00 1.00 0.00 0.00 33.01 30.78 1h23 s GLN 225 CO -0.05 -0.47 0.60 0.43 -2.12 0.00 0.00 175.29 173.68 1h23 n SER 226 N 4.70 -1.56 -3.62 5.90 7.64 0.08 -0.40 113.62 126.36 1h23 n SER 226 Ca -0.15 -0.94 -0.06 0.00 1.01 0.00 0.00 58.87 58.72 1h23 n SER 226 Cb 0.46 -3.29 -0.05 0.00 -1.01 0.00 0.00 64.21 60.32 1h23 n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1h23 s GLY 227 N -4.05 -0.04 0.09 0.23 0.00 -1.26 -3.43 107.32 98.86 1h23 s GLY 227 Ca 0.21 2.60 -0.17 0.00 0.00 0.00 0.00 44.72 47.37 1h23 s GLY 227 CO 0.87 1.28 0.40 -1.35 0.00 0.00 0.00 173.10 174.30 1h23 s SER 228 N -0.76 -0.25 0.45 1.64 1.04 -1.26 -4.13 113.70 110.43 1h23 s SER 228 Ca 0.04 -0.18 0.11 0.00 0.48 0.00 0.00 55.95 56.40 1h23 s SER 228 Cb -0.02 0.45 1.02 0.00 0.10 0.00 0.00 66.02 67.57 1h23 s SER 228 CO -0.05 -0.76 2.08 1.55 0.98 0.00 0.00 173.24 177.03 1h23 h PRO 229 N 2.67 0.34 -0.14 4.02 0.13 -1.80 -2.34 132.00 134.89 1h23 h PRO 229 Ca -0.33 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1h23 h PRO 229 Cb 1.23 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1h23 h PRO 229 CO 0.45 0.22 0.00 0.27 -0.23 0.00 0.00 178.00 178.72 1h23 n ASN 230 N -4.49 0.91 -4.70 1.44 6.94 -1.26 -4.72 115.26 109.38 1h23 n ASN 230 Ca 0.02 -1.80 -0.41 0.00 -0.02 0.00 0.00 54.58 52.37 1h23 n ASN 230 Cb 0.12 -0.09 0.01 0.00 -2.36 0.00 0.00 39.78 37.47 1h23 n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1h23 h PRO 232 N 2.02 0.00 0.00 0.00 0.13 -1.84 -2.13 132.00 130.18 1h23 h PRO 232 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h23 h PRO 232 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1h23 h PRO 232 CO 0.60 0.00 -0.76 -2.67 -0.23 0.00 0.00 178.00 174.94 1h23 n TRP 233 N -3.69 0.01 0.58 1.56 4.27 -1.26 -4.52 117.44 114.38 1h23 n TRP 233 Ca -0.02 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.72 1h23 n TRP 233 Cb 0.15 -0.14 0.41 0.00 -1.36 0.00 0.00 31.31 30.36 1h23 n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1h23 h ALA 234 N 2.98 1.00 -2.83 -1.67 0.00 -1.69 -3.42 119.26 113.63 1h23 h ALA 234 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1h23 h ALA 234 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 1h23 h ALA 234 CO 0.00 0.00 0.02 -1.54 0.00 0.00 0.00 179.25 177.73 1h23 s SER 235 N -4.59 -0.35 0.14 0.00 1.04 -1.26 -3.77 113.70 104.91 1h23 s SER 235 Ca 0.10 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.34 1h23 s SER 235 Cb 0.12 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 1h23 s SER 235 CO 0.58 -0.89 -0.03 0.68 0.98 0.00 0.00 173.24 174.56 1h23 s VAL 236 N -3.76 0.69 0.87 5.02 -7.23 -0.43 -4.98 120.40 110.60 1h23 s VAL 236 Ca 0.02 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.11 1h23 s VAL 236 Cb 0.01 -1.92 0.12 0.00 0.56 0.00 0.00 36.38 35.14 1h23 s VAL 236 CO -0.12 -0.65 1.12 -0.94 -0.31 0.00 0.00 175.10 174.19 1h23 s SER 237 N -3.12 3.81 0.35 4.85 1.04 -1.26 -1.81 113.70 117.56 1h23 s SER 237 Ca 0.19 1.14 0.11 0.00 0.48 0.00 0.00 55.95 57.87 1h23 s SER 237 Cb 0.06 -1.79 0.64 0.00 0.10 0.00 0.00 66.02 65.03 1h23 s SER 237 CO 0.00 -2.38 1.78 -0.37 0.98 0.00 0.00 173.24 173.25 1h23 h VAL 238 N -1.38 1.29 -0.45 5.02 -1.51 -1.94 -1.71 116.25 115.57 1h23 h VAL 238 Ca -0.49 -1.40 -0.04 0.00 -1.23 0.00 0.00 66.70 63.53 1h23 h VAL 238 Cb 1.31 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 32.18 1h23 h VAL 238 CO 0.60 0.40 0.11 0.00 -1.23 0.00 0.00 177.57 177.46 1h23 h ALA 239 N 1.56 0.59 -0.43 5.19 0.00 -1.94 -0.63 119.26 123.59 1h23 h ALA 239 Ca 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1h23 h ALA 239 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1h23 h ALA 239 CO 0.05 0.27 -0.29 1.49 0.00 0.00 0.00 179.25 180.78 1h23 h GLU 240 N 0.59 0.95 -0.44 0.00 4.57 -1.87 -1.28 114.58 117.11 1h23 h GLU 240 Ca 0.14 -0.45 0.04 0.00 -1.18 0.00 0.00 59.36 57.91 1h23 h GLU 240 Cb 0.31 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 1h23 h GLU 240 CO 0.00 1.12 0.21 0.78 -1.18 0.00 0.00 179.01 179.93 1h23 h GLY 241 N 0.79 0.60 0.99 1.92 0.00 -1.22 -0.15 103.07 106.01 1h23 h GLY 241 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1h23 h GLY 241 CO 0.08 0.09 0.06 -0.09 0.00 0.00 0.00 176.54 176.68 1h23 h ARG 242 N 0.42 0.12 -0.80 4.80 2.43 -0.87 -1.08 114.38 119.39 1h23 h ARG 242 Ca 0.19 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1h23 h ARG 242 Cb 0.11 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1h23 h ARG 242 CO -0.15 0.08 0.48 -0.09 -1.51 0.00 0.00 179.97 178.78 1h23 h ARG 243 N 0.12 0.84 -0.03 0.20 2.43 -0.69 -1.12 114.38 116.13 1h23 h ARG 243 Ca 0.03 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 1h23 h ARG 243 Cb -0.01 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1h23 h ARG 243 CO -0.01 0.56 -0.64 0.00 -1.51 0.00 0.00 179.97 178.36 1h23 h ARG 244 N 0.86 0.12 -0.29 0.20 3.08 -0.68 -0.38 114.38 117.29 1h23 h ARG 244 Ca 0.36 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 1h23 h ARG 244 Cb 0.21 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1h23 h ARG 244 CO -0.19 0.72 0.02 0.00 -1.07 0.00 0.00 179.97 179.45 1h23 h ALA 245 N 1.25 0.39 -0.62 0.04 0.00 -0.45 -0.28 119.26 119.59 1h23 h ALA 245 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1h23 h ALA 245 Cb 1.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1h23 h ALA 245 CO 0.09 0.12 0.32 0.28 0.00 0.00 0.00 179.25 180.06 1h23 h VAL 246 N 0.30 1.21 -0.12 0.00 2.07 -1.12 -0.40 116.25 118.19 1h23 h VAL 246 Ca 0.08 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1h23 h VAL 246 Cb 0.40 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1h23 h VAL 246 CO 0.01 0.23 -0.25 -0.08 0.02 0.00 0.00 177.57 177.51 1h23 h GLU 247 N 0.85 0.20 -0.39 1.57 4.57 -0.85 0.68 114.58 121.22 1h23 h GLU 247 Ca 0.22 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1h23 h GLU 247 Cb 0.08 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1h23 h GLU 247 CO -0.03 0.45 -0.00 1.25 -1.18 0.00 0.00 179.01 179.49 1h23 h LEU 248 N 0.19 0.67 -0.54 1.64 5.85 -0.48 -1.18 115.31 121.45 1h23 h LEU 248 Ca 0.03 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1h23 h LEU 248 Cb 0.55 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1h23 h LEU 248 CO 0.04 0.82 0.28 1.23 -0.34 0.00 0.00 178.44 180.47 1h23 h GLY 249 N 0.51 0.76 1.46 3.75 0.00 -0.34 -2.33 103.07 106.88 1h23 h GLY 249 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1h23 h GLY 249 CO 0.02 0.12 0.20 -0.09 0.00 0.00 0.00 176.54 176.79 1h23 h ARG 250 N 0.54 0.70 0.00 4.80 2.43 -0.44 -1.49 114.38 120.92 1h23 h ARG 250 Ca 0.24 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1h23 h ARG 250 Cb 0.14 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1h23 h ARG 250 CO -0.16 0.58 -0.29 -0.91 -1.51 0.00 0.00 179.97 177.68 1h23 h ASN 251 N 0.70 0.00 -0.56 -3.80 2.35 -0.69 -2.82 115.58 110.75 1h23 h ASN 251 Ca 0.17 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.74 1h23 h ASN 251 Cb 0.14 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.40 1h23 h ASN 251 CO -0.02 0.29 0.16 0.18 -1.65 0.00 0.00 177.43 176.39 1h23 n LEU 252 N -3.85 5.18 -3.88 1.61 4.77 -0.71 -4.96 117.00 115.15 1h23 n LEU 252 Ca -0.02 -3.32 -0.28 0.00 -0.03 0.00 0.00 56.01 52.36 1h23 n LEU 252 Cb 0.37 -0.68 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1h23 n LEU 252 CO 0.36 0.89 -0.19 0.59 -1.33 0.00 0.00 177.39 177.71 1h23 n ASN 253 N -0.52 -1.88 -4.90 -1.43 3.02 -1.06 -4.96 115.26 103.53 1h23 n ASN 253 Ca 0.36 -1.03 -0.30 0.00 -0.03 0.00 0.00 54.58 53.58 1h23 n ASN 253 Cb 1.21 -3.06 -0.04 0.00 -0.61 0.00 0.00 39.78 37.28 1h23 n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h23 s ASN 255 N -2.65 6.78 -0.10 0.00 3.84 -1.26 -4.74 114.94 116.81 1h23 s ASN 255 Ca 0.43 2.39 0.15 0.00 0.21 0.00 0.00 52.86 56.04 1h23 s ASN 255 Cb -0.11 -2.59 0.51 0.00 -0.55 0.00 0.00 41.25 38.51 1h23 s ASN 255 CO 0.25 -0.68 1.43 0.18 -2.79 0.00 0.00 177.10 175.50 1h23 n LEU 256 N 3.83 3.85 0.21 3.21 4.77 -1.26 -3.50 117.00 128.11 1h23 n LEU 256 Ca 0.11 -2.52 0.07 0.00 -0.03 0.00 0.00 56.01 53.64 1h23 n LEU 256 Cb 0.42 -0.45 0.48 0.00 -2.33 0.00 0.00 43.42 41.53 1h23 n LEU 256 CO 0.59 0.73 0.80 0.78 -1.33 0.00 0.00 177.39 178.96 1h23 h ASN 257 N 2.54 0.00 -5.11 -1.43 -0.26 -1.96 -3.46 115.58 105.89 1h23 h ASN 257 Ca 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 1h23 h ASN 257 Cb 1.22 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.34 1h23 h ASN 257 CO 0.16 0.28 -0.25 -0.94 -1.06 0.00 0.00 177.43 175.62 1h23 s SER 258 N -6.56 -0.04 0.22 5.81 1.04 -1.26 -5.02 113.70 107.89 1h23 s SER 258 Ca -0.02 -0.46 -0.09 0.00 0.48 0.00 0.00 55.95 55.86 1h23 s SER 258 Cb 0.13 0.39 0.23 0.00 0.10 0.00 0.00 66.02 66.87 1h23 s SER 258 CO 0.67 -0.75 1.84 0.44 0.98 0.00 0.00 173.24 176.42 1h23 h ASP 259 N 2.70 0.73 -0.90 7.02 3.32 -1.97 -0.09 116.42 127.23 1h23 h ASP 259 Ca -0.34 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.73 1h23 h ASP 259 Cb 1.22 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 1h23 h ASP 259 CO 0.51 0.49 0.60 -0.33 -1.72 0.00 0.00 179.24 178.79 1h23 h GLU 260 N 0.86 1.18 -0.14 3.56 3.07 -1.99 0.12 114.58 121.25 1h23 h GLU 260 Ca 0.31 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1h23 h GLU 260 Cb 0.08 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 1h23 h GLU 260 CO -0.14 0.78 0.02 0.93 -1.40 0.00 0.00 179.01 179.20 1h23 h GLU 261 N 1.22 0.23 -0.04 2.33 4.39 -1.71 -1.71 114.58 119.28 1h23 h GLU 261 Ca 0.33 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1h23 h GLU 261 Cb -0.13 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1h23 h GLU 261 CO -0.08 0.44 0.03 1.25 -1.16 0.00 0.00 179.01 179.49 1h23 h LEU 262 N -0.00 0.05 -0.64 1.33 5.85 -0.56 -2.19 115.31 119.15 1h23 h LEU 262 Ca 0.04 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1h23 h LEU 262 Cb 0.32 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1h23 h LEU 262 CO 0.00 0.05 0.23 0.40 -0.34 0.00 0.00 178.44 178.79 1h23 h ILE 263 N 0.04 1.24 -0.35 4.05 2.04 -0.80 -1.44 117.51 122.29 1h23 h ILE 263 Ca 0.02 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1h23 h ILE 263 Cb 0.01 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1h23 h ILE 263 CO -0.00 0.30 0.23 -0.74 0.00 0.00 0.00 178.15 177.94 1h23 h HIS 264 N 0.91 0.43 -0.20 1.37 2.76 -1.21 0.18 115.15 119.39 1h23 h HIS 264 Ca 0.21 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1h23 h HIS 264 Cb 0.24 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1h23 h HIS 264 CO 0.02 0.27 0.02 0.00 -1.30 0.00 0.00 177.93 176.94 1h23 h LEU 266 N 0.10 0.18 -1.19 0.00 3.38 -0.78 -1.73 115.31 115.27 1h23 h LEU 266 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1h23 h LEU 266 Cb 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1h23 h LEU 266 CO -0.14 0.29 0.00 0.03 0.09 0.00 0.00 178.44 178.72 1h23 h ARG 267 N 0.19 0.00 0.00 1.13 3.08 -0.20 -3.09 114.38 115.49 1h23 h ARG 267 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1h23 h ARG 267 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1h23 h ARG 267 CO 0.01 0.00 -0.39 0.39 -1.07 0.00 0.00 179.97 178.92 1h23 n GLU 268 N -3.07 0.28 -2.61 0.04 -0.58 -0.65 -4.89 120.64 109.16 1h23 n GLU 268 Ca 0.01 0.14 -0.38 0.00 -0.42 0.00 0.00 57.16 56.50 1h23 n GLU 268 Cb 0.34 -1.73 -0.05 0.00 -0.57 0.00 0.00 31.44 29.43 1h23 n GLU 268 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1h23 s LYS 269 N -3.14 4.54 0.67 3.49 -0.14 -1.17 -5.02 119.74 118.97 1h23 s LYS 269 Ca 0.08 1.56 -0.15 0.00 -1.36 0.00 0.00 55.97 56.10 1h23 s LYS 269 Cb 0.13 -2.94 0.01 0.00 -1.68 0.00 0.00 37.83 33.34 1h23 s LYS 269 CO 0.67 0.18 1.14 0.15 -0.76 0.00 0.00 175.35 176.74 1h23 s LYS 270 N -1.82 2.62 0.20 1.68 3.01 -1.26 -4.92 119.74 119.26 1h23 s LYS 270 Ca 0.49 1.53 -0.15 0.00 -1.01 0.00 0.00 55.97 56.82 1h23 s LYS 270 Cb -0.25 -1.92 0.21 0.00 -1.01 0.00 0.00 37.83 34.86 1h23 s LYS 270 CO 0.32 -1.41 1.63 -1.35 0.51 0.00 0.00 175.35 175.04 1h23 h PRO 271 N 0.01 -0.03 -0.12 -1.68 0.11 -1.96 -1.77 132.00 126.55 1h23 h PRO 271 Ca -0.47 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1h23 h PRO 271 Cb 1.26 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1h23 h PRO 271 CO 0.53 -0.02 0.16 0.37 -0.21 0.00 0.00 178.00 178.83 1h23 h GLN 272 N -0.03 0.00 -0.25 1.05 5.75 -1.99 -0.92 115.11 118.73 1h23 h GLN 272 Ca 0.28 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.64 1h23 h GLN 272 Cb 0.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1h23 h GLN 272 CO -0.63 0.00 -0.42 0.93 -2.65 0.00 0.00 178.83 176.06 1h23 h GLU 273 N 0.00 0.59 -0.05 1.69 5.08 -1.67 0.28 114.58 120.50 1h23 h GLU 273 Ca 0.06 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1h23 h GLU 273 Cb 0.38 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1h23 h GLU 273 CO -0.00 0.91 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.73 1h23 h LEU 274 N 0.49 0.18 -0.93 1.33 4.07 -1.23 -3.25 115.31 115.97 1h23 h LEU 274 Ca 0.04 -0.59 0.03 0.00 0.08 0.00 0.00 57.88 57.44 1h23 h LEU 274 Cb 0.93 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.57 1h23 h LEU 274 CO 0.08 0.74 0.61 0.40 -1.08 0.00 0.00 178.44 179.19 1h23 h ILE 275 N -0.37 1.17 -0.12 1.22 2.04 -1.32 -2.31 117.51 117.83 1h23 h ILE 275 Ca -0.00 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1h23 h ILE 275 Cb 0.71 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1h23 h ILE 275 CO 0.02 0.22 0.18 0.44 0.00 0.00 0.00 178.15 179.01 1h23 h ASP 276 N 1.19 0.00 -0.02 1.72 3.32 -0.97 -2.71 116.42 118.95 1h23 h ASP 276 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1h23 h ASP 276 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1h23 h ASP 276 CO -0.11 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.74 1h23 n VAL 277 N -3.55 0.18 -0.27 -1.35 0.24 -1.01 -4.79 118.33 107.78 1h23 n VAL 277 Ca 0.00 -0.59 0.06 0.00 -2.04 0.00 0.00 64.34 61.77 1h23 n VAL 277 Cb 0.28 0.97 0.16 0.00 -1.47 0.00 0.00 33.84 33.78 1h23 n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1h23 h GLU 278 N 0.64 0.08 0.00 7.34 4.81 -1.08 0.46 114.58 126.82 1h23 h GLU 278 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1h23 h GLU 278 Cb 0.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1h23 h GLU 278 CO 0.00 0.05 0.00 0.91 -0.73 0.00 0.00 179.01 179.24 1h23 n TRP 279 N -5.38 0.12 0.43 0.92 7.02 -1.26 -3.06 117.44 116.24 1h23 n TRP 279 Ca 0.14 0.04 0.13 0.00 -1.02 0.00 0.00 57.50 56.80 1h23 n TRP 279 Cb 0.49 -0.57 0.45 0.00 -2.42 0.00 0.00 31.31 29.26 1h23 n TRP 279 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1h23 h ASN 280 N 0.00 0.00 -0.03 -0.99 2.35 -1.25 -3.27 115.58 112.39 1h23 h ASN 280 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1h23 h ASN 280 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1h23 h ASN 280 CO 0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 1h23 n VAL 281 N -2.51 0.02 -1.78 2.81 0.24 -1.17 -4.91 118.33 111.02 1h23 n VAL 281 Ca 0.03 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.34 61.65 1h23 n VAL 281 Cb 0.36 0.58 0.02 0.00 -1.47 0.00 0.00 33.84 33.33 1h23 n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1h23 s LEU 282 N -1.96 4.09 0.30 1.34 1.43 -1.24 -4.82 118.68 117.82 1h23 s LEU 282 Ca 0.37 2.93 0.16 0.00 -1.03 0.00 0.00 54.13 56.55 1h23 s LEU 282 Cb 0.21 -3.96 0.21 0.00 0.03 0.00 0.00 46.19 42.69 1h23 s LEU 282 CO 0.33 -1.22 1.51 1.55 0.23 0.00 0.00 176.35 178.75 1h23 h PRO 283 N 2.25 0.00 -5.36 1.29 0.13 -1.95 -3.46 132.00 124.90 1h23 h PRO 283 Ca -0.51 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.22 1h23 h PRO 283 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 1h23 h PRO 283 CO 0.61 0.49 -0.72 -0.06 -0.23 0.00 0.00 178.00 178.09 1h23 s PHE 284 N -3.11 1.54 -0.16 1.56 0.08 -1.26 -5.08 117.98 111.55 1h23 s PHE 284 Ca 0.03 -0.66 -0.29 0.00 0.12 0.00 0.00 56.93 56.13 1h23 s PHE 284 Cb 0.08 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.76 1h23 s PHE 284 CO 0.73 0.24 1.54 0.34 -0.10 0.00 0.00 175.22 177.97 1h23 s ASP 285 N -3.26 6.60 0.32 1.36 2.15 -1.26 -4.91 116.67 117.67 1h23 s ASP 285 Ca 0.21 1.82 -0.16 0.00 0.43 0.00 0.00 52.55 54.84 1h23 s ASP 285 Cb 0.01 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1h23 s ASP 285 CO 0.05 -1.04 0.69 -0.94 -0.17 0.00 0.00 175.17 173.75 1h23 s SER 286 N 3.41 -0.04 0.03 -0.34 1.04 -1.26 -4.65 113.70 111.89 1h23 s SER 286 Ca 0.68 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 56.23 1h23 s SER 286 Cb -0.27 0.75 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 1h23 s SER 286 CO 0.26 -1.44 -0.12 -0.51 0.98 0.00 0.00 173.24 172.41 1h23 s ILE 287 N -3.29 0.97 -1.09 -1.02 1.10 -0.81 -4.81 121.20 112.25 1h23 s ILE 287 Ca 0.16 -0.88 -0.07 0.00 -0.51 0.00 0.00 60.65 59.35 1h23 s ILE 287 Cb -0.04 -0.88 0.01 0.00 0.15 0.00 0.00 42.46 41.69 1h23 s ILE 287 CO 0.10 0.01 0.94 0.33 -2.11 0.00 0.00 174.94 174.20 1h23 n PHE 288 N 2.06 -2.29 -4.01 3.50 -0.00 -1.26 -4.77 117.46 110.69 1h23 n PHE 288 Ca -0.18 0.80 -0.17 0.00 -0.00 0.00 0.00 57.45 57.91 1h23 n PHE 288 Cb 0.55 -4.22 -0.16 0.00 -0.00 0.00 0.00 39.48 35.65 1h23 n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1h23 s ARG 289 N -6.04 0.38 0.11 -4.13 1.81 -1.26 -4.60 118.95 105.21 1h23 s ARG 289 Ca 0.46 -0.01 0.10 0.00 -1.72 0.00 0.00 55.73 54.57 1h23 s ARG 289 Cb -0.20 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 33.78 1h23 s ARG 289 CO 0.57 -0.07 -0.26 -0.06 -0.68 0.00 0.00 175.30 174.81 1h23 s PHE 290 N 0.69 2.33 0.03 -0.53 0.08 -1.26 -5.07 117.98 114.25 1h23 s PHE 290 Ca -0.07 -0.38 -0.26 0.00 0.12 0.00 0.00 56.93 56.34 1h23 s PHE 290 Cb -0.11 -1.30 -0.17 0.00 -0.57 0.00 0.00 43.02 40.88 1h23 s PHE 290 CO -0.01 0.29 1.39 0.77 -0.10 0.00 0.00 175.22 177.55 1h23 h SER 291 N 4.11 -0.30 -3.70 1.36 0.02 -1.90 -3.42 113.55 109.72 1h23 h SER 291 Ca -0.50 -0.15 -0.69 0.00 -0.84 0.00 0.00 61.79 59.61 1h23 h SER 291 Cb 1.16 0.08 -0.32 0.00 0.14 0.00 0.00 62.40 63.46 1h23 h SER 291 CO 0.41 -0.01 -0.66 -0.36 -1.14 0.00 0.00 176.83 175.07 1h23 s PHE 292 N -5.09 3.33 0.26 3.45 0.08 -1.26 -5.00 117.98 113.75 1h23 s PHE 292 Ca -0.15 -1.91 0.01 0.00 0.12 0.00 0.00 56.93 55.01 1h23 s PHE 292 Cb 0.03 -2.36 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 1h23 s PHE 292 CO 0.59 -0.83 0.12 0.14 -0.10 0.00 0.00 175.22 175.15 1h23 s VAL 293 N 1.25 0.39 0.54 -0.44 -7.23 -1.26 -4.50 120.40 109.16 1h23 s VAL 293 Ca -0.02 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.96 1h23 s VAL 293 Cb -0.20 -2.58 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 1h23 s VAL 293 CO -0.01 0.00 0.56 -2.65 -0.31 0.00 0.00 175.10 172.69 1h23 n PRO 294 N -0.46 0.57 -4.92 4.82 -0.02 -1.25 -4.68 135.00 129.06 1h23 n PRO 294 Ca 0.01 0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.39 1h23 n PRO 294 Cb 0.66 -1.71 -0.14 0.00 -0.02 0.00 0.00 33.50 32.30 1h23 n PRO 294 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1h23 s VAL 295 N -1.66 2.80 -0.86 -1.45 -7.23 -1.26 -1.31 120.40 109.43 1h23 s VAL 295 Ca 0.68 -0.90 -0.25 0.00 -1.81 0.00 0.00 61.98 59.70 1h23 s VAL 295 Cb -0.47 -2.10 0.03 0.00 0.56 0.00 0.00 36.38 34.40 1h23 s VAL 295 CO 0.55 0.53 1.45 -0.63 -0.31 0.00 0.00 175.10 176.68 1h23 s ILE 296 N -0.75 3.76 -1.47 -0.62 -1.09 -0.75 -4.79 121.20 115.49 1h23 s ILE 296 Ca 0.12 -0.16 0.21 0.00 -2.23 0.00 0.00 60.65 58.58 1h23 s ILE 296 Cb -0.10 -4.84 -0.10 0.00 -1.58 0.00 0.00 42.46 35.83 1h23 s ILE 296 CO 0.01 -1.75 0.95 -0.90 -1.23 0.00 0.00 174.94 172.02 1h23 n ASP 297 N 9.78 1.49 0.00 3.58 5.75 -1.26 -4.17 116.55 131.71 1h23 n ASP 297 Ca 0.20 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1h23 n ASP 297 Cb 0.50 0.72 0.00 0.00 -1.03 0.00 0.00 41.12 41.31 1h23 n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h23 n GLY 298 N 1.41 0.94 1.15 6.12 0.00 0.08 -4.88 105.19 110.01 1h23 n GLY 298 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1h23 n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h23 n GLU 299 N -2.00 0.00 -0.28 1.61 1.02 -1.26 -4.48 120.64 115.25 1h23 n GLU 299 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1h23 n GLU 299 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.49 1h23 n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1h23 h PHE 300 N 0.00 0.99 -3.57 -0.32 3.04 -1.92 -3.35 116.94 111.82 1h23 h PHE 300 Ca 0.00 0.01 -0.67 0.00 3.98 0.00 0.00 57.97 61.29 1h23 h PHE 300 Cb 0.00 -0.33 -0.30 0.00 2.56 0.00 0.00 35.95 37.88 1h23 h PHE 300 CO 0.00 0.65 -0.69 -0.06 -2.02 0.00 0.00 178.31 176.18 1h23 s PHE 301 N -6.06 3.11 0.28 0.41 0.08 -1.26 -4.41 117.98 110.14 1h23 s PHE 301 Ca -0.13 -1.36 0.01 0.00 0.12 0.00 0.00 56.93 55.58 1h23 s PHE 301 Cb 0.15 -2.14 0.41 0.00 -0.57 0.00 0.00 43.02 40.87 1h23 s PHE 301 CO 0.79 -0.68 1.75 -1.00 -0.10 0.00 0.00 175.22 175.99 1h23 h PRO 302 N 8.10 0.59 0.00 0.24 0.13 -1.79 0.25 132.00 139.52 1h23 h PRO 302 Ca -0.31 -0.19 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 1h23 h PRO 302 Cb 1.11 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 1h23 h PRO 302 CO 0.58 0.71 -0.17 0.25 -0.23 0.00 0.00 178.00 179.15 1h23 n THR 303 N -4.18 0.00 -1.65 1.56 -2.24 -1.26 -4.40 114.28 102.12 1h23 n THR 303 Ca 0.01 -0.95 -0.38 0.00 -2.27 0.00 0.00 64.05 60.46 1h23 n THR 303 Cb 0.35 0.49 0.05 0.00 -2.10 0.00 0.00 70.33 69.12 1h23 n THR 303 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1h23 n SER 304 N -2.38 1.19 -0.23 3.42 3.41 -1.26 -4.79 113.62 112.98 1h23 n SER 304 Ca 0.03 0.83 -0.03 0.00 -0.26 0.00 0.00 58.87 59.44 1h23 n SER 304 Cb 0.24 -1.43 0.08 0.00 -0.26 0.00 0.00 64.21 62.84 1h23 n SER 304 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1h23 h LEU 305 N 0.62 0.63 -0.85 1.04 3.38 -1.99 -1.63 115.31 116.52 1h23 h LEU 305 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1h23 h LEU 305 Cb 1.35 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1h23 h LEU 305 CO 0.52 0.43 0.54 -0.08 0.09 0.00 0.00 178.44 179.94 1h23 h GLU 306 N 0.76 1.13 -0.01 1.13 4.57 -1.99 0.27 114.58 120.44 1h23 h GLU 306 Ca 0.28 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 58.22 1h23 h GLU 306 Cb 0.08 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 1h23 h GLU 306 CO -0.13 0.77 -0.73 0.66 -1.18 0.00 0.00 179.01 178.40 1h23 h SER 307 N 1.15 0.11 -0.22 1.04 4.64 -1.82 0.06 113.55 118.52 1h23 h SER 307 Ca 0.31 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 1h23 h SER 307 Cb -0.09 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1h23 h SER 307 CO -0.06 0.80 0.03 0.24 -0.87 0.00 0.00 176.83 176.96 1h23 h MET 308 N 0.06 0.37 -0.98 4.77 2.86 -0.82 -1.91 114.93 119.28 1h23 h MET 308 Ca -0.02 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1h23 h MET 308 Cb 1.28 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.85 1h23 h MET 308 CO 0.10 0.53 0.63 -0.07 1.06 0.00 0.00 176.91 179.15 1h23 h LEU 309 N 0.16 1.14 -0.79 1.22 3.38 -0.18 -1.63 115.31 118.60 1h23 h LEU 309 Ca 0.06 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1h23 h LEU 309 Cb 0.34 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1h23 h LEU 309 CO 0.01 0.85 -0.17 0.78 0.09 0.00 0.00 178.44 179.99 1h23 h ASN 310 N 1.33 0.74 -0.15 -0.43 2.35 -0.82 -3.11 115.58 115.49 1h23 h ASN 310 Ca 0.36 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1h23 h ASN 310 Cb -0.12 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.05 1h23 h ASN 310 CO -0.07 0.91 0.00 -1.54 -1.65 0.00 0.00 177.43 175.07 1h23 n SER 311 N -4.14 1.97 -0.65 5.81 3.41 -0.73 -4.94 113.62 114.34 1h23 n SER 311 Ca 0.01 -1.72 -0.08 0.00 -0.26 0.00 0.00 58.87 56.81 1h23 n SER 311 Cb 0.39 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 1h23 n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h23 n GLY 312 N 1.21 1.03 3.20 5.00 0.00 -1.04 -4.93 105.19 109.66 1h23 n GLY 312 Ca 0.17 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1h23 n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h23 n ASN 313 N 0.52 4.03 -3.58 1.61 2.85 -0.64 -4.84 115.26 115.20 1h23 n ASN 313 Ca -0.08 -2.84 -0.07 0.00 -0.11 0.00 0.00 54.58 51.48 1h23 n ASN 313 Cb 0.29 -1.64 -0.02 0.00 1.24 0.00 0.00 39.78 39.65 1h23 n ASN 313 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1h23 s PHE 314 N 4.72 -0.30 0.22 1.20 -0.12 -1.26 -4.72 117.98 117.71 1h23 s PHE 314 Ca 0.53 0.10 -0.31 0.00 -0.05 0.00 0.00 56.93 57.20 1h23 s PHE 314 Cb 0.09 0.58 -0.11 0.00 -0.63 0.00 0.00 43.02 42.95 1h23 s PHE 314 CO 0.03 -0.69 1.57 0.21 -0.05 0.00 0.00 175.22 176.29 1h23 s LYS 315 N -3.28 4.19 -0.33 1.99 2.20 0.05 -4.96 119.74 119.60 1h23 s LYS 315 Ca 0.07 2.44 -0.11 0.00 -0.36 0.00 0.00 55.97 58.00 1h23 s LYS 315 Cb -0.01 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1h23 s LYS 315 CO -0.06 -0.60 0.20 0.15 -0.36 0.00 0.00 175.35 174.68 1h23 s LYS 316 N 0.47 3.40 0.00 4.03 1.02 -1.26 -4.97 119.74 122.44 1h23 s LYS 316 Ca 0.67 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.97 1h23 s LYS 316 Cb -0.45 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.16 1h23 s LYS 316 CO 0.37 -0.44 0.00 -2.37 -0.92 0.00 0.00 175.35 171.99 1h23 n THR 317 N 5.05 0.00 -3.94 2.17 5.66 -1.26 -4.77 114.28 117.19 1h23 n THR 317 Ca -0.13 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 1h23 n THR 317 Cb 0.49 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.23 1h23 n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1h23 s GLN 318 N 0.89 3.39 0.03 1.09 1.11 -1.26 -0.85 119.66 124.06 1h23 s GLN 318 Ca 0.00 -0.49 0.01 0.00 0.01 0.00 0.00 55.36 54.88 1h23 s GLN 318 Cb 0.00 -3.00 -0.02 0.00 -1.01 0.00 0.00 33.01 28.98 1h23 s GLN 318 CO 0.00 0.59 -0.04 0.96 0.01 0.00 0.00 175.29 176.80 1h23 s ILE 319 N -1.55 0.24 -0.06 1.08 -4.36 -0.02 -3.03 121.20 113.50 1h23 s ILE 319 Ca 0.34 -0.96 0.02 0.00 -0.26 0.00 0.00 60.65 59.79 1h23 s ILE 319 Cb -0.13 -0.36 0.02 0.00 1.25 0.00 0.00 42.46 43.24 1h23 s ILE 319 CO 0.28 -0.46 -0.09 -0.22 0.24 0.00 0.00 174.94 174.68 1h23 s LEU 320 N -1.49 1.50 0.24 0.37 0.20 -0.84 -1.41 118.68 117.24 1h23 s LEU 320 Ca -0.14 -0.25 -0.18 0.00 0.69 0.00 0.00 54.13 54.25 1h23 s LEU 320 Cb -0.10 -0.71 0.02 0.00 -0.43 0.00 0.00 46.19 44.96 1h23 s LEU 320 CO -0.01 -0.01 0.60 -1.48 -0.29 0.00 0.00 176.35 175.16 1h23 s LEU 321 N 0.85 -0.03 0.00 -0.68 2.34 -0.38 -1.31 118.68 119.46 1h23 s LEU 321 Ca -0.12 -0.64 0.00 0.00 0.06 0.00 0.00 54.13 53.44 1h23 s LEU 321 Cb -0.15 2.31 0.00 0.00 -0.56 0.00 0.00 46.19 47.79 1h23 s LEU 321 CO 0.01 -1.20 0.00 0.61 -1.06 0.00 0.00 176.35 174.71 1h23 n GLY 322 N -0.40 -1.13 3.22 -3.48 0.00 -0.83 -0.99 105.19 101.58 1h23 n GLY 322 Ca -0.05 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1h23 n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h23 s VAL 323 N -2.23 0.26 0.22 1.61 -7.23 -1.04 -0.74 120.40 111.26 1h23 s VAL 323 Ca 0.00 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1h23 s VAL 323 Cb 0.00 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1h23 s VAL 323 CO 0.00 -0.21 0.25 0.20 -0.31 0.00 0.00 175.10 175.04 1h23 s ASN 324 N -3.17 5.90 0.23 4.85 0.01 -1.26 -0.42 114.94 121.09 1h23 s ASN 324 Ca 0.32 -0.07 -0.08 0.00 -0.71 0.00 0.00 52.86 52.32 1h23 s ASN 324 Cb 0.07 -1.63 0.21 0.00 0.41 0.00 0.00 41.25 40.31 1h23 s ASN 324 CO 0.08 -0.02 1.90 0.50 -1.51 0.00 0.00 177.10 178.05 1h23 h LYS 325 N 1.60 1.19 -2.22 -0.60 3.64 -1.50 -3.33 116.57 115.35 1h23 h LYS 325 Ca -0.50 -0.08 -0.59 0.00 -1.27 0.00 0.00 60.65 58.21 1h23 h LYS 325 Cb 1.22 -0.26 -0.42 0.00 -0.41 0.00 0.00 32.23 32.36 1h23 h LYS 325 CO 0.62 0.80 -0.67 -0.25 -2.27 0.00 0.00 179.45 177.69 1h23 n ASP 326 N -4.44 3.82 0.10 4.20 8.00 -0.39 -4.90 116.55 122.95 1h23 n ASP 326 Ca 0.10 -3.51 0.06 0.00 0.71 0.00 0.00 54.79 52.14 1h23 n ASP 326 Cb 0.03 -0.61 0.52 0.00 -0.02 0.00 0.00 41.12 41.03 1h23 n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1h23 h GLU 327 N 3.51 0.31 0.00 -1.24 4.39 -1.72 -3.07 114.58 116.77 1h23 h GLU 327 Ca 0.15 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1h23 h GLU 327 Cb 0.61 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1h23 h GLU 327 CO 0.80 0.21 -0.14 0.41 -1.16 0.00 0.00 179.01 179.12 1h23 n GLY 328 N -1.50 -1.63 0.35 -3.84 0.00 -1.26 -4.31 105.19 93.00 1h23 n GLY 328 Ca 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1h23 n GLY 328 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h23 h SER 329 N 0.00 0.82 -0.79 1.61 4.64 -1.80 -2.14 113.55 115.88 1h23 h SER 329 Ca 0.00 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1h23 h SER 329 Cb 0.73 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.56 1h23 h SER 329 CO 0.00 0.58 0.49 0.15 -0.87 0.00 0.00 176.83 177.18 1h23 h PHE 330 N 0.96 0.90 0.00 4.77 3.04 -1.82 -0.79 116.94 124.00 1h23 h PHE 330 Ca 0.28 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 62.09 1h23 h PHE 330 Cb -0.04 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.15 1h23 h PHE 330 CO -0.00 0.47 -0.82 0.74 -2.02 0.00 0.00 178.31 176.68 1h23 h PHE 331 N 0.90 0.03 -0.19 0.41 -1.00 -1.67 -2.80 116.94 112.63 1h23 h PHE 331 Ca 0.34 -0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.97 1h23 h PHE 331 Cb 0.13 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1h23 h PHE 331 CO -0.04 0.83 -0.40 -0.07 -1.61 0.00 0.00 178.31 177.01 1h23 h LEU 332 N 0.01 0.68 -0.33 1.54 3.38 -1.09 0.95 115.31 120.45 1h23 h LEU 332 Ca -0.01 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.47 1h23 h LEU 332 Cb 1.44 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 1h23 h LEU 332 CO 0.11 1.11 -0.11 0.25 0.09 0.00 0.00 178.44 179.89 1h23 h LEU 333 N 0.27 -0.38 -0.15 1.67 5.85 -1.12 -1.09 115.31 120.35 1h23 h LEU 333 Ca 0.00 0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 1h23 h LEU 333 Cb 1.01 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1h23 h LEU 333 CO 0.09 -0.14 -0.69 1.88 -0.34 0.00 0.00 178.44 179.24 1h23 h TYR 334 N -0.03 0.00 0.00 1.25 -1.99 -1.50 -3.42 116.97 111.28 1h23 h TYR 334 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1h23 h TYR 334 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 1h23 h TYR 334 CO -0.33 0.69 0.00 0.41 -0.00 0.00 0.00 178.16 178.93 1h23 n GLY 335 N 1.10 -0.29 3.34 3.88 0.00 0.33 -5.05 105.19 108.49 1h23 n GLY 335 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1h23 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h23 s ALA 336 N -0.34 2.24 0.36 4.61 0.00 -0.46 -4.93 121.76 123.25 1h23 s ALA 336 Ca 0.00 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.58 1h23 s ALA 336 Cb 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 23.12 22.40 1h23 s ALA 336 CO 0.00 0.53 1.38 -1.25 0.00 0.00 0.00 175.76 176.42 1h23 s PRO 337 N -0.64 4.21 0.00 0.00 0.04 -1.26 -3.18 135.00 134.16 1h23 s PRO 337 Ca 0.10 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1h23 s PRO 337 Cb -0.10 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1h23 s PRO 337 CO -0.01 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1h23 n GLY 338 N 0.65 1.52 3.86 0.56 0.00 -1.26 -4.89 105.19 105.63 1h23 n GLY 338 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1h23 n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h23 s PHE 339 N -2.37 3.56 0.07 1.61 0.08 -1.19 -4.59 117.98 115.15 1h23 s PHE 339 Ca 0.00 0.50 -0.17 0.00 0.12 0.00 0.00 56.93 57.38 1h23 s PHE 339 Cb 0.00 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1h23 s PHE 339 CO 0.00 0.70 0.41 -1.54 -0.10 0.00 0.00 175.22 174.68 1h23 s SER 340 N -0.94 -0.26 0.20 1.36 1.04 -1.26 -4.88 113.70 108.96 1h23 s SER 340 Ca 0.14 -0.12 -0.09 0.00 0.48 0.00 0.00 55.95 56.37 1h23 s SER 340 Cb -0.12 0.44 0.11 0.00 0.10 0.00 0.00 66.02 66.56 1h23 s SER 340 CO 0.04 -0.73 1.72 0.50 0.98 0.00 0.00 173.24 175.74 1h23 h LYS 341 N 2.78 1.12 -0.65 4.02 3.64 -1.99 -3.25 116.57 122.24 1h23 h LYS 341 Ca -0.32 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1h23 h LYS 341 Cb 1.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1h23 h LYS 341 CO 0.45 0.98 0.00 -0.25 -2.27 0.00 0.00 179.45 178.35 1h23 n ASP 342 N -4.26 4.25 -4.38 4.20 8.00 -1.26 -4.49 116.55 118.61 1h23 n ASP 342 Ca 0.05 -2.53 -0.19 0.00 0.71 0.00 0.00 54.79 52.83 1h23 n ASP 342 Cb 0.25 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.67 1h23 n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h23 s SER 343 N -0.71 1.95 0.00 -2.24 1.04 -1.23 -5.01 113.70 107.51 1h23 s SER 343 Ca 0.41 -1.33 0.22 0.00 0.48 0.00 0.00 55.95 55.74 1h23 s SER 343 Cb 0.29 -0.00 1.19 0.00 0.10 0.00 0.00 66.02 67.60 1h23 s SER 343 CO 0.16 -0.60 1.72 -0.62 0.98 0.00 0.00 173.24 174.88 1h23 n GLU 344 N -0.55 0.43 -3.75 4.02 1.02 -1.26 -4.76 120.64 115.79 1h23 n GLU 344 Ca -0.03 0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 1h23 n GLU 344 Cb 0.66 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.60 1h23 n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1h23 n SER 345 N -1.20 -1.39 -4.70 1.62 7.64 -1.26 -4.86 113.62 109.47 1h23 n SER 345 Ca 0.12 -0.88 -0.42 0.00 1.01 0.00 0.00 58.87 58.70 1h23 n SER 345 Cb 0.15 -3.78 -0.03 0.00 -1.01 0.00 0.00 64.21 59.54 1h23 n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h23 s LYS 346 N -6.08 4.43 -0.16 1.43 1.02 -1.26 -4.66 119.74 114.45 1h23 s LYS 346 Ca 0.05 1.60 -0.06 0.00 0.02 0.00 0.00 55.97 57.57 1h23 s LYS 346 Cb -0.01 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1h23 s LYS 346 CO 0.83 -0.30 0.05 0.42 -0.92 0.00 0.00 175.35 175.44 1h23 s ILE 347 N 1.64 4.72 0.81 2.17 -1.09 -0.85 -4.97 121.20 123.63 1h23 s ILE 347 Ca 0.55 -0.06 -0.12 0.00 -2.23 0.00 0.00 60.65 58.78 1h23 s ILE 347 Cb -0.24 -3.10 0.08 0.00 -1.58 0.00 0.00 42.46 37.62 1h23 s ILE 347 CO 0.24 0.49 1.10 -0.94 -1.23 0.00 0.00 174.94 174.61 1h23 s SER 348 N 0.12 4.37 0.32 3.58 1.04 -1.26 -4.15 113.70 117.71 1h23 s SER 348 Ca 0.04 1.27 0.02 0.00 0.48 0.00 0.00 55.95 57.76 1h23 s SER 348 Cb -0.12 -1.98 0.57 0.00 0.10 0.00 0.00 66.02 64.59 1h23 s SER 348 CO 0.01 -2.04 1.93 0.03 0.98 0.00 0.00 173.24 174.14 1h23 h ARG 349 N -1.14 0.94 -0.12 4.02 2.47 -1.91 -0.24 114.38 118.40 1h23 h ARG 349 Ca -0.47 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.18 1h23 h ARG 349 Cb 1.28 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1h23 h ARG 349 CO 0.60 0.62 0.05 1.49 0.56 0.00 0.00 179.97 183.29 1h23 h GLU 350 N 0.97 0.18 0.00 0.04 4.81 -1.96 -1.54 114.58 117.08 1h23 h GLU 350 Ca 0.36 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1h23 h GLU 350 Cb 0.18 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1h23 h GLU 350 CO -0.13 0.27 -0.30 -0.44 -0.73 0.00 0.00 179.01 177.68 1h23 h ASP 351 N 0.05 0.00 -0.26 1.04 3.32 -1.74 -1.80 116.42 117.03 1h23 h ASP 351 Ca 0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1h23 h ASP 351 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1h23 h ASP 351 CO -0.00 0.30 0.08 0.15 -1.72 0.00 0.00 179.24 178.05 1h23 h PHE 352 N 0.00 0.42 -0.23 4.55 3.57 -0.65 -0.17 116.94 124.43 1h23 h PHE 352 Ca -0.00 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 1h23 h PHE 352 Cb 0.70 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1h23 h PHE 352 CO 0.00 0.47 -0.34 0.52 -2.23 0.00 0.00 178.31 176.72 1h23 h MET 353 N 0.25 0.49 0.00 1.11 2.86 -0.95 -0.37 114.93 118.33 1h23 h MET 353 Ca 0.08 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 1h23 h MET 353 Cb 0.25 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1h23 h MET 353 CO -0.00 0.77 -0.54 0.66 1.06 0.00 0.00 176.91 178.86 1h23 h SER 354 N 0.42 0.00 -0.47 1.22 4.64 -1.18 -2.73 113.55 115.45 1h23 h SER 354 Ca 0.05 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 1h23 h SER 354 Cb 0.80 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 1h23 h SER 354 CO 0.07 0.54 -0.15 1.23 -0.87 0.00 0.00 176.83 177.65 1h23 h GLY 355 N 2.31 1.04 1.20 -0.77 0.00 -0.44 -2.20 103.07 104.22 1h23 h GLY 355 Ca -0.01 -0.86 -0.12 0.00 0.00 0.00 0.00 47.33 46.34 1h23 h GLY 355 CO 0.07 0.79 -0.20 -0.39 0.00 0.00 0.00 176.54 176.81 1h23 h VAL 356 N 0.85 1.27 -0.97 4.60 -1.51 -0.95 -1.24 116.25 118.30 1h23 h VAL 356 Ca 0.12 -1.34 0.04 0.00 -1.23 0.00 0.00 66.70 64.29 1h23 h VAL 356 Cb 0.71 1.12 -0.06 0.00 -2.13 0.00 0.00 31.29 30.93 1h23 h VAL 356 CO 0.05 0.46 0.63 0.50 -1.23 0.00 0.00 177.57 177.98 1h23 h LYS 357 N 0.80 1.18 -0.30 5.19 1.63 -1.39 -1.89 116.57 121.79 1h23 h LYS 357 Ca 0.11 -0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.75 1h23 h LYS 357 Cb 0.75 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1h23 h LYS 357 CO 0.06 0.78 -0.18 -0.07 -3.45 0.00 0.00 179.45 176.59 1h23 h LEU 358 N 1.22 0.55 -0.39 5.20 4.07 -1.01 -3.23 115.31 121.71 1h23 h LEU 358 Ca 0.39 -0.17 -0.09 0.00 0.08 0.00 0.00 57.88 58.08 1h23 h LEU 358 Cb 0.01 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1h23 h LEU 358 CO -0.12 0.74 -0.45 0.28 -1.08 0.00 0.00 178.44 177.81 1h23 h SER 359 N 0.50 0.00 -2.11 -0.43 0.02 -0.48 -2.15 113.55 108.90 1h23 h SER 359 Ca 0.08 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.47 1h23 h SER 359 Cb 0.60 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.73 1h23 h SER 359 CO 0.04 0.45 -0.87 0.52 -1.14 0.00 0.00 176.83 175.83 1h23 n VAL 360 N -3.33 1.01 -0.18 2.27 0.31 -0.81 -4.90 118.33 112.70 1h23 n VAL 360 Ca 0.01 -4.75 0.19 0.00 -0.01 0.00 0.00 64.34 59.78 1h23 n VAL 360 Cb 0.64 -1.68 0.56 0.00 -0.91 0.00 0.00 33.84 32.45 1h23 n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1h23 h PRO 361 N 3.77 0.29 -0.98 5.55 0.13 -1.69 -2.33 132.00 136.74 1h23 h PRO 361 Ca 0.13 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1h23 h PRO 361 Cb 0.76 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.78 1h23 h PRO 361 CO 0.65 0.19 0.11 -2.39 -0.23 0.00 0.00 178.00 176.33 1h23 n HIS 362 N -4.45 0.61 -4.96 1.56 1.44 -1.26 -4.92 115.22 103.25 1h23 n HIS 362 Ca 0.16 -0.63 -0.32 0.00 -2.01 0.00 0.00 57.72 54.92 1h23 n HIS 362 Cb 0.66 -0.35 -0.15 0.00 0.12 0.00 0.00 29.99 30.28 1h23 n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1h23 s ALA 363 N -0.89 2.49 1.07 1.59 0.00 -0.88 -5.08 121.76 120.05 1h23 s ALA 363 Ca 0.12 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1h23 s ALA 363 Cb 0.10 -0.99 0.23 0.00 0.00 0.00 0.00 23.12 22.46 1h23 s ALA 363 CO 0.03 0.38 1.20 0.54 0.00 0.00 0.00 175.76 177.91 1h23 s ASN 364 N -0.07 2.15 0.24 0.00 2.20 -1.26 -4.73 114.94 113.48 1h23 s ASN 364 Ca -0.04 0.52 -0.05 0.00 -0.94 0.00 0.00 52.86 52.35 1h23 s ASN 364 Cb -0.14 -0.71 0.33 0.00 -2.00 0.00 0.00 41.25 38.73 1h23 s ASN 364 CO 0.04 -3.35 1.86 0.44 -2.94 0.00 0.00 177.10 173.15 1h23 h ASP 365 N -2.06 0.89 -0.49 3.54 5.19 -2.00 -1.24 116.42 120.26 1h23 h ASP 365 Ca -0.45 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1h23 h ASP 365 Cb 1.27 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 1h23 h ASP 365 CO 0.39 0.58 0.25 0.25 -3.12 0.00 0.00 179.24 177.59 1h23 h LEU 366 N 1.03 0.62 -0.63 1.55 5.85 -1.99 -0.74 115.31 121.00 1h23 h LEU 366 Ca 0.38 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1h23 h LEU 366 Cb 0.14 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1h23 h LEU 366 CO -0.16 0.55 0.25 1.23 -0.34 0.00 0.00 178.44 179.97 1h23 h GLY 367 N 0.64 1.01 1.04 3.75 0.00 -1.76 -1.02 103.07 106.72 1h23 h GLY 367 Ca 0.17 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1h23 h GLY 367 CO -0.02 0.51 0.54 1.41 0.00 0.00 0.00 176.54 178.97 1h23 h LEU 368 N 0.88 1.13 -0.80 3.11 3.38 -0.98 -1.69 115.31 120.34 1h23 h LEU 368 Ca 0.21 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1h23 h LEU 368 Cb 0.20 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1h23 h LEU 368 CO -0.02 0.88 0.32 0.44 0.09 0.00 0.00 178.44 180.16 1h23 h ASP 369 N 1.28 1.10 -0.52 -0.43 3.32 -0.62 -1.10 116.42 119.44 1h23 h ASP 369 Ca 0.33 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1h23 h ASP 369 Cb -0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1h23 h ASP 369 CO -0.06 0.97 0.28 0.00 -1.72 0.00 0.00 179.24 178.72 1h23 h ALA 370 N 1.17 0.67 -0.01 3.45 0.00 -0.72 -0.08 119.26 123.75 1h23 h ALA 370 Ca 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1h23 h ALA 370 Cb 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1h23 h ALA 370 CO -0.02 0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.71 1h23 h VAL 371 N 0.70 1.18 -0.48 0.00 2.07 -1.03 -2.41 116.25 116.28 1h23 h VAL 371 Ca 0.18 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.25 1h23 h VAL 371 Cb 0.05 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1h23 h VAL 371 CO -0.03 0.14 0.18 0.74 0.02 0.00 0.00 177.57 178.62 1h23 h THR 372 N -0.21 0.86 -0.88 2.57 2.02 -1.04 -1.44 112.91 114.80 1h23 h THR 372 Ca 0.00 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1h23 h THR 372 Cb 0.22 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 1h23 h THR 372 CO -0.00 0.07 0.58 0.25 0.37 0.00 0.00 175.52 176.79 1h23 h LEU 373 N 0.37 1.00 -1.12 2.58 5.85 -0.97 -2.08 115.31 120.94 1h23 h LEU 373 Ca 0.22 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1h23 h LEU 373 Cb 0.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1h23 h LEU 373 CO -0.22 0.71 -0.36 -0.61 -0.34 0.00 0.00 178.44 177.62 1h23 h GLN 374 N 1.17 0.15 -0.24 1.25 5.75 -0.75 -3.28 115.11 119.15 1h23 h GLN 374 Ca 0.33 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 1h23 h GLN 374 Cb -0.09 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.45 1h23 h GLN 374 CO -0.08 0.49 0.00 0.66 -2.65 0.00 0.00 178.83 177.25 1h23 n TYR 375 N -4.08 0.32 -4.09 3.99 4.01 -0.87 -4.98 117.16 111.46 1h23 n TYR 375 Ca -0.01 -0.42 -0.35 0.00 -0.16 0.00 0.00 57.90 56.96 1h23 n TYR 375 Cb 0.42 -0.03 -0.09 0.00 -0.31 0.00 0.00 39.34 39.34 1h23 n TYR 375 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1h23 s THR 376 N -0.96 4.75 -0.56 -0.72 2.01 -0.80 -4.79 115.64 114.57 1h23 s THR 376 Ca 0.18 -0.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 1h23 s THR 376 Cb 0.10 -3.10 0.07 0.00 0.01 0.00 0.00 72.50 69.59 1h23 s THR 376 CO 0.13 0.52 0.71 -0.62 -0.69 0.00 0.00 174.62 174.67 1h23 s ASP 377 N -0.12 6.21 0.00 3.53 -1.08 -1.26 -4.92 116.67 119.03 1h23 s ASP 377 Ca 0.07 -1.07 0.13 0.00 -0.52 0.00 0.00 52.55 51.15 1h23 s ASP 377 Cb -0.12 -2.32 0.57 0.00 -1.46 0.00 0.00 42.92 39.59 1h23 s ASP 377 CO 0.01 -1.05 1.41 0.79 0.52 0.00 0.00 175.17 176.85 1h23 n TRP 378 N 6.48 0.00 1.32 -5.34 7.02 -1.26 -1.65 117.44 124.00 1h23 n TRP 378 Ca -0.07 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.55 1h23 n TRP 378 Cb 0.44 -0.47 0.53 0.00 -2.42 0.00 0.00 31.31 29.39 1h23 n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1h23 n MET 379 N -1.47 0.65 -2.72 -0.99 2.81 -1.26 -4.35 117.12 109.79 1h23 n MET 379 Ca 0.04 -0.28 -0.08 0.00 -1.81 0.00 0.00 57.70 55.57 1h23 n MET 379 Cb 0.15 -1.49 0.10 0.00 -0.71 0.00 0.00 33.22 31.26 1h23 n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1h23 n ASP 380 N -0.93 -1.63 0.01 7.83 2.03 -0.66 -5.00 116.55 118.20 1h23 n ASP 380 Ca 0.13 -2.77 0.07 0.00 0.52 0.00 0.00 54.79 52.73 1h23 n ASP 380 Cb 0.30 1.04 0.30 0.00 -0.72 0.00 0.00 41.12 42.04 1h23 n ASP 380 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1h23 n ASP 381 N -0.32 0.05 -1.19 1.67 5.75 -0.89 -2.40 116.55 119.22 1h23 n ASP 381 Ca 0.01 0.51 0.11 0.00 -0.01 0.00 0.00 54.79 55.41 1h23 n ASP 381 Cb 0.81 -0.52 0.27 0.00 -1.03 0.00 0.00 41.12 40.64 1h23 n ASP 381 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1h23 n ASN 382 N -1.55 3.66 -4.60 -1.12 3.02 -1.26 -4.62 115.26 108.78 1h23 n ASN 382 Ca 0.03 -1.99 -0.43 0.00 -0.03 0.00 0.00 54.58 52.17 1h23 n ASN 382 Cb 0.16 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.92 1h23 n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1h23 s ASN 383 N -1.13 6.13 0.32 6.41 3.04 -1.01 -4.89 114.94 123.81 1h23 s ASN 383 Ca 0.42 1.17 -0.00 0.00 0.04 0.00 0.00 52.86 54.49 1h23 s ASN 383 Cb 0.23 -2.53 0.52 0.00 -1.54 0.00 0.00 41.25 37.93 1h23 s ASN 383 CO 0.30 -1.54 1.98 1.23 -3.04 0.00 0.00 177.10 176.03 1h23 h GLY 384 N 12.84 1.06 0.85 1.21 0.00 -1.91 -0.83 103.07 116.29 1h23 h GLY 384 Ca -0.31 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 1h23 h GLY 384 CO 1.05 0.38 -0.07 -2.22 0.00 0.00 0.00 176.54 175.68 1h23 h ILE 385 N 1.02 1.29 -0.23 2.60 1.08 -1.90 -1.20 117.51 120.17 1h23 h ILE 385 Ca 0.28 -1.09 -0.09 0.00 -0.39 0.00 0.00 64.86 63.56 1h23 h ILE 385 Cb -0.11 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1h23 h ILE 385 CO -0.06 0.34 -0.26 0.11 -0.69 0.00 0.00 178.15 177.59 1h23 h LYS 386 N 0.23 0.44 -0.24 2.37 1.57 -1.89 0.27 116.57 119.32 1h23 h LYS 386 Ca 0.06 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1h23 h LYS 386 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1h23 h LYS 386 CO 0.03 0.67 -0.16 -0.91 -0.57 0.00 0.00 179.45 178.50 1h23 h ASN 387 N 0.39 0.55 0.27 0.86 2.35 -1.09 0.49 115.58 119.40 1h23 h ASN 387 Ca 0.06 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 1h23 h ASN 387 Cb 0.66 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1h23 h ASN 387 CO 0.05 0.88 -0.13 -0.09 -1.65 0.00 0.00 177.43 176.48 1h23 h ARG 388 N 0.24 -0.35 -0.39 0.81 2.43 -1.03 -2.21 114.38 113.88 1h23 h ARG 388 Ca 0.05 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1h23 h ARG 388 Cb 0.69 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1h23 h ARG 388 CO 0.04 -0.20 -0.01 -0.44 -1.51 0.00 0.00 179.97 177.86 1h23 h ASP 389 N -0.41 0.60 -0.46 -3.80 3.32 -0.95 -1.39 116.42 113.33 1h23 h ASP 389 Ca -0.04 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1h23 h ASP 389 Cb 0.31 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1h23 h ASP 389 CO 0.06 0.67 -0.00 1.23 -1.72 0.00 0.00 179.24 179.48 1h23 h GLY 390 N 0.91 0.94 1.15 2.75 0.00 -0.80 -0.12 103.07 107.90 1h23 h GLY 390 Ca 0.12 -0.65 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 1h23 h GLY 390 CO 0.01 0.60 -0.39 -2.00 0.00 0.00 0.00 176.54 174.77 1h23 h LEU 391 N 0.81 0.99 -0.31 3.11 5.85 -1.11 0.20 115.31 124.85 1h23 h LEU 391 Ca 0.15 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1h23 h LEU 391 Cb 0.49 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1h23 h LEU 391 CO 0.02 1.26 0.11 -0.78 -0.34 0.00 0.00 178.44 178.71 1h23 h ASP 392 N 0.76 0.13 -0.55 1.25 1.82 -0.82 -1.35 116.42 117.64 1h23 h ASP 392 Ca 0.06 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.65 1h23 h ASP 392 Cb 0.98 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.99 1h23 h ASP 392 CO 0.10 0.11 0.06 0.44 -1.61 0.00 0.00 179.24 178.33 1h23 h ASP 393 N 0.25 0.94 -0.10 2.28 3.32 -0.79 -1.50 116.42 120.82 1h23 h ASP 393 Ca 0.14 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.98 1h23 h ASP 393 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1h23 h ASP 393 CO -0.14 0.96 -0.00 0.40 -1.72 0.00 0.00 179.24 178.74 1h23 h ILE 394 N 0.91 0.93 -0.22 0.35 2.04 -0.42 0.22 117.51 121.32 1h23 h ILE 394 Ca 0.18 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1h23 h ILE 394 Cb 0.45 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1h23 h ILE 394 CO 0.02 0.01 0.09 0.58 0.00 0.00 0.00 178.15 178.85 1h23 h VAL 395 N 0.03 1.16 -0.48 1.67 2.07 -1.04 -1.05 116.25 118.62 1h23 h VAL 395 Ca 0.05 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1h23 h VAL 395 Cb 0.05 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1h23 h VAL 395 CO -0.08 0.15 0.10 1.23 0.02 0.00 0.00 177.57 179.00 1h23 h GLY 396 N 0.21 0.83 0.80 2.17 0.00 -1.12 -1.33 103.07 104.63 1h23 h GLY 396 Ca 0.07 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1h23 h GLY 396 CO -0.01 0.49 0.01 -0.55 0.00 0.00 0.00 176.54 176.48 1h23 h ASP 397 N 0.65 0.03 -0.55 0.19 3.32 -0.46 0.60 116.42 120.20 1h23 h ASP 397 Ca 0.15 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1h23 h ASP 397 Cb 0.35 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1h23 h ASP 397 CO 0.00 0.23 -0.03 -0.74 -1.72 0.00 0.00 179.24 176.99 1h23 h HIS 398 N -0.17 1.08 0.00 4.55 -0.00 -1.20 0.60 115.15 120.01 1h23 h HIS 398 Ca 0.01 -0.20 -0.13 0.00 -0.00 0.00 0.00 60.37 60.04 1h23 h HIS 398 Cb 0.21 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1h23 h HIS 398 CO -0.00 0.99 -1.45 0.09 -0.00 0.00 0.00 177.93 177.55 1h23 n ASN 399 N -4.23 0.73 0.08 3.26 3.02 -0.50 -4.48 115.26 113.13 1h23 n ASN 399 Ca 0.02 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1h23 n ASN 399 Cb 0.35 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1h23 n ASN 399 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1h23 n VAL 400 N -2.78 0.67 0.42 2.41 0.31 -0.51 -4.63 118.33 114.22 1h23 n VAL 400 Ca -0.09 0.22 -0.18 0.00 -0.01 0.00 0.00 64.34 64.28 1h23 n VAL 400 Cb 0.78 -1.11 -0.09 0.00 -0.91 0.00 0.00 33.84 32.51 1h23 n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1h23 h ILE 401 N 0.00 0.19 -0.21 2.52 2.04 -0.99 -1.36 117.51 119.70 1h23 h ILE 401 Ca 0.00 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 1h23 h ILE 401 Cb 0.00 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1h23 h ILE 401 CO 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 178.15 178.00 1h23 h PRO 403 N 0.33 0.86 -0.39 0.00 0.11 -1.71 -1.82 132.00 129.38 1h23 h PRO 403 Ca 0.06 -0.31 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 1h23 h PRO 403 Cb 0.48 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1h23 h PRO 403 CO 0.03 0.95 -0.13 1.25 -0.21 0.00 0.00 178.00 179.89 1h23 h LEU 404 N 0.76 0.70 -0.88 2.35 6.46 -0.48 -1.23 115.31 122.99 1h23 h LEU 404 Ca 0.12 -0.21 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 1h23 h LEU 404 Cb 0.66 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1h23 h LEU 404 CO 0.05 0.85 -0.14 0.24 -0.62 0.00 0.00 178.44 178.82 1h23 h MET 405 N 0.64 0.68 -0.49 1.25 2.86 -0.72 0.19 114.93 119.33 1h23 h MET 405 Ca 0.11 -0.23 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 1h23 h MET 405 Cb 0.59 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1h23 h MET 405 CO 0.04 0.79 -0.21 1.25 1.06 0.00 0.00 176.91 179.84 1h23 h HIS 406 N 0.62 1.16 -0.51 -0.22 -0.00 -1.03 -1.78 115.15 113.39 1h23 h HIS 406 Ca 0.10 -0.28 -0.08 0.00 -0.00 0.00 0.00 60.37 60.12 1h23 h HIS 406 Cb 0.59 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 1h23 h HIS 406 CO 0.03 1.11 0.01 0.35 -0.00 0.00 0.00 177.93 179.43 1h23 h PHE 407 N 0.87 0.96 -0.18 5.26 3.57 -0.64 -1.90 116.94 124.88 1h23 h PHE 407 Ca 0.11 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 1h23 h PHE 407 Cb 0.79 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1h23 h PHE 407 CO 0.05 0.90 -0.33 -0.24 -2.23 0.00 0.00 178.31 176.46 1h23 h VAL 408 N 0.76 1.28 -0.18 1.41 3.04 -0.37 0.57 116.25 122.76 1h23 h VAL 408 Ca 0.15 -1.38 -0.21 0.00 -1.01 0.00 0.00 66.70 64.25 1h23 h VAL 408 Cb 0.50 1.51 0.01 0.00 -2.01 0.00 0.00 31.29 31.29 1h23 h VAL 408 CO 0.02 0.43 -0.71 0.78 -1.01 0.00 0.00 177.57 177.08 1h23 h ASN 409 N 0.33 0.89 -0.48 3.17 2.35 -1.24 -1.24 115.58 119.36 1h23 h ASN 409 Ca 0.04 -0.55 -0.13 0.00 -0.55 0.00 0.00 56.30 55.11 1h23 h ASN 409 Cb 0.74 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1h23 h ASN 409 CO 0.06 1.35 -0.20 0.11 -1.65 0.00 0.00 177.43 177.10 1h23 h LYS 410 N 0.54 0.98 -0.35 0.81 1.79 -1.10 -3.24 116.57 116.00 1h23 h LYS 410 Ca -0.03 -0.41 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 1h23 h LYS 410 Cb 1.32 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1h23 h LYS 410 CO 0.15 1.09 -0.04 -0.92 -1.08 0.00 0.00 179.45 178.64 1h23 h TYR 411 N 0.84 0.71 -0.15 -1.35 3.20 -0.80 -3.11 116.97 116.30 1h23 h TYR 411 Ca 0.11 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1h23 h TYR 411 Cb 0.77 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1h23 h TYR 411 CO 0.05 0.78 0.11 1.15 -1.64 0.00 0.00 178.16 178.61 1h23 h THR 412 N 0.44 0.94 -0.28 1.81 2.02 -1.28 0.22 112.91 116.78 1h23 h THR 412 Ca 0.09 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1h23 h THR 412 Cb 0.52 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1h23 h THR 412 CO 0.03 0.01 0.19 0.50 0.37 0.00 0.00 175.52 176.61 1h23 h LYS 413 N 0.03 0.32 0.00 6.66 3.11 -1.56 -3.24 116.57 121.88 1h23 h LYS 413 Ca 0.07 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1h23 h LYS 413 Cb 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1h23 h LYS 413 CO -0.00 0.21 -0.56 1.19 -2.81 0.00 0.00 179.45 177.48 1h23 n PHE 414 N -4.50 0.00 -1.73 1.91 3.72 -0.29 -5.08 117.46 111.50 1h23 n PHE 414 Ca 0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.12 1h23 n PHE 414 Cb 0.11 -0.04 0.20 0.00 -0.94 0.00 0.00 39.48 38.82 1h23 n PHE 414 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1h23 s GLY 415 N -1.84 1.74 -0.17 1.37 0.00 0.63 -4.87 107.32 104.18 1h23 s GLY 415 Ca 0.01 -1.17 0.16 0.00 0.00 0.00 0.00 44.72 43.71 1h23 s GLY 415 CO 0.21 -0.36 1.54 -2.01 0.00 0.00 0.00 173.10 172.48 1h23 n ASN 416 N -4.03 4.52 0.00 1.64 4.05 -0.03 -4.90 115.26 116.51 1h23 n ASN 416 Ca 0.15 -2.83 0.00 0.00 0.45 0.00 0.00 54.58 52.35 1h23 n ASN 416 Cb 0.59 -0.57 0.00 0.00 1.23 0.00 0.00 39.78 41.04 1h23 n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1h23 n GLY 417 N 0.15 3.88 3.03 8.20 0.00 -1.25 -4.69 105.19 114.52 1h23 n GLY 417 Ca 0.23 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1h23 n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h23 s THR 418 N 0.00 1.09 -0.15 2.61 2.01 -1.26 -0.84 115.64 119.10 1h23 s THR 418 Ca 0.00 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1h23 s THR 418 Cb 0.00 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.54 1h23 s THR 418 CO 0.00 0.34 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.77 1h23 s TYR 419 N 0.48 2.46 -0.09 4.92 1.51 -0.50 0.22 117.35 126.35 1h23 s TYR 419 Ca -0.11 -1.32 0.01 0.00 -1.01 0.00 0.00 57.07 54.64 1h23 s TYR 419 Cb -0.14 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1h23 s TYR 419 CO 0.03 -0.65 -0.12 -1.17 -1.11 0.00 0.00 175.55 172.52 1h23 s LEU 420 N 1.12 2.80 0.20 -1.29 2.96 -1.26 -1.25 118.68 121.96 1h23 s LEU 420 Ca -0.01 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1h23 s LEU 420 Cb -0.14 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1h23 s LEU 420 CO -0.07 0.27 -0.11 -0.72 -1.32 0.00 0.00 176.35 174.40 1h23 s TYR 421 N -0.27 1.60 -0.23 5.38 -0.85 -0.16 -2.17 117.35 120.64 1h23 s TYR 421 Ca 0.02 -0.68 -0.02 0.00 -0.52 0.00 0.00 57.07 55.88 1h23 s TYR 421 Cb -0.13 -0.80 0.07 0.00 0.38 0.00 0.00 41.96 41.48 1h23 s TYR 421 CO 0.03 0.23 0.03 0.12 -1.52 0.00 0.00 175.55 174.44 1h23 s PHE 422 N -3.12 1.42 -0.32 -3.49 5.36 0.03 -2.49 117.98 115.37 1h23 s PHE 422 Ca 0.22 -1.22 -0.20 0.00 -0.96 0.00 0.00 56.93 54.76 1h23 s PHE 422 Cb 0.01 -1.28 -0.00 0.00 -0.34 0.00 0.00 43.02 41.41 1h23 s PHE 422 CO 0.06 -0.70 0.64 0.12 -1.46 0.00 0.00 175.22 173.87 1h23 s PHE 423 N 1.72 3.19 -0.17 10.12 5.36 0.44 -0.89 117.98 137.75 1h23 s PHE 423 Ca 0.01 0.52 0.20 0.00 -0.96 0.00 0.00 56.93 56.69 1h23 s PHE 423 Cb -0.17 -3.05 0.46 0.00 -0.34 0.00 0.00 43.02 39.92 1h23 s PHE 423 CO -0.12 -0.53 1.16 0.27 -1.46 0.00 0.00 175.22 174.54 1h23 n ASN 424 N 5.96 1.95 -4.63 6.13 6.94 -1.10 -1.81 115.26 128.71 1h23 n ASN 424 Ca -0.01 -2.56 -0.37 0.00 -0.02 0.00 0.00 54.58 51.63 1h23 n ASN 424 Cb 0.49 -0.41 -0.10 0.00 -2.36 0.00 0.00 39.78 37.40 1h23 n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1h23 s HIS 425 N -2.47 3.27 -0.34 -2.53 2.46 -1.26 -4.98 115.29 109.43 1h23 s HIS 425 Ca 0.35 0.14 -0.22 0.00 0.47 0.00 0.00 55.06 55.80 1h23 s HIS 425 Cb 0.36 -2.28 0.00 0.00 -0.13 0.00 0.00 32.58 30.54 1h23 s HIS 425 CO -0.07 -0.01 0.73 0.50 -2.47 0.00 0.00 174.74 173.41 1h23 s ARG 426 N 1.21 3.79 0.29 2.88 6.06 -1.26 -4.88 118.95 127.04 1h23 s ARG 426 Ca 0.07 0.29 -0.30 0.00 -2.50 0.00 0.00 55.73 53.29 1h23 s ARG 426 Cb -0.14 -3.78 -0.11 0.00 0.06 0.00 0.00 34.95 30.97 1h23 s ARG 426 CO 0.06 -0.76 1.58 0.00 -2.50 0.00 0.00 175.30 173.68 1h23 s ALA 427 N 2.91 3.73 0.54 6.12 0.00 -1.26 -4.89 121.76 128.91 1h23 s ALA 427 Ca 0.29 1.56 0.20 0.00 0.00 0.00 0.00 51.96 54.01 1h23 s ALA 427 Cb -0.14 -3.64 1.41 0.00 0.00 0.00 0.00 23.12 20.75 1h23 s ALA 427 CO 0.15 -0.97 2.15 0.66 0.00 0.00 0.00 175.76 177.74 1h23 h SER 428 N 4.76 0.00 -0.41 0.00 4.64 -1.95 -2.30 113.55 118.29 1h23 h SER 428 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1h23 h SER 428 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1h23 h SER 428 CO 0.78 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.28 1h23 n ASN 429 N -4.35 4.65 -4.74 4.97 0.23 -1.26 -5.02 115.26 109.74 1h23 n ASN 429 Ca -0.01 -2.92 -0.42 0.00 -0.53 0.00 0.00 54.58 50.70 1h23 n ASN 429 Cb 0.17 -0.59 -0.02 0.00 -2.08 0.00 0.00 39.78 37.25 1h23 n ASN 429 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1h23 s LEU 430 N -2.70 4.36 0.07 -4.53 1.43 -0.87 -4.90 118.68 111.54 1h23 s LEU 430 Ca 0.47 2.87 0.25 0.00 -1.03 0.00 0.00 54.13 56.69 1h23 s LEU 430 Cb 0.36 -3.63 0.51 0.00 0.03 0.00 0.00 46.19 43.46 1h23 s LEU 430 CO 0.13 -0.87 1.43 1.33 0.23 0.00 0.00 176.35 178.59 1h23 n VAL 431 N 2.52 0.21 -2.36 -1.59 0.24 -1.26 -4.90 118.33 111.18 1h23 n VAL 431 Ca 0.09 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.34 61.91 1h23 n VAL 431 Cb 0.38 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.67 1h23 n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1h23 s TRP 432 N -3.09 3.27 0.90 6.34 0.52 -1.26 -4.99 118.94 120.63 1h23 s TRP 432 Ca 0.09 1.50 -0.10 0.00 0.02 0.00 0.00 56.10 57.61 1h23 s TRP 432 Cb 0.15 -2.88 0.13 0.00 -1.15 0.00 0.00 33.47 29.73 1h23 s TRP 432 CO 0.69 -0.58 1.13 -1.25 0.02 0.00 0.00 176.95 176.96 1h23 s PRO 433 N -3.91 1.18 0.24 4.98 0.04 -1.26 -4.91 135.00 131.37 1h23 s PRO 433 Ca 0.61 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 63.05 1h23 s PRO 433 Cb -0.12 -1.75 0.38 0.00 0.04 0.00 0.00 34.50 33.04 1h23 s PRO 433 CO 0.30 -2.48 1.82 1.49 0.04 0.00 0.00 177.00 178.17 1h23 h GLU 434 N -1.76 0.82 -0.03 4.56 4.57 -1.95 -2.39 114.58 118.42 1h23 h GLU 434 Ca -0.44 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1h23 h GLU 434 Cb 1.26 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1h23 h GLU 434 CO 0.44 0.55 0.06 0.11 -1.18 0.00 0.00 179.01 178.98 1h23 h TRP 435 N 0.85 0.00 0.00 0.92 5.08 -1.91 -1.55 115.95 119.34 1h23 h TRP 435 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 1h23 h TRP 435 Cb 0.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 1h23 h TRP 435 CO -0.05 0.00 0.00 0.52 -1.28 0.00 0.00 178.44 177.63 1h23 h MET 436 N 0.00 0.00 0.00 0.12 2.86 -1.78 -3.49 114.93 112.64 1h23 h MET 436 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1h23 h MET 436 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1h23 h MET 436 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1h23 n GLY 437 N 0.69 2.80 3.39 8.32 0.00 -0.59 -4.09 105.19 115.71 1h23 n GLY 437 Ca 0.04 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 1h23 n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h23 s VAL 438 N 0.00 5.00 0.53 1.61 1.01 -1.26 -4.90 120.40 122.39 1h23 s VAL 438 Ca 0.00 -1.61 -0.20 0.00 0.00 0.00 0.00 61.98 60.17 1h23 s VAL 438 Cb 0.00 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 1h23 s VAL 438 CO 0.00 -1.25 1.14 -0.63 0.00 0.00 0.00 175.10 174.36 1h23 s ILE 439 N 2.01 3.10 -0.07 2.22 1.01 -1.26 -1.26 121.20 126.95 1h23 s ILE 439 Ca 0.22 0.71 -0.34 0.00 0.00 0.00 0.00 60.65 61.24 1h23 s ILE 439 Cb -0.13 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.93 1h23 s ILE 439 CO -0.04 -0.12 1.87 1.57 0.00 0.00 0.00 174.94 178.22 1h23 n HIS 440 N -1.18 2.34 0.00 3.97 -0.00 -1.25 -1.50 115.22 117.60 1h23 n HIS 440 Ca 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1h23 n HIS 440 Cb 0.50 -2.67 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 1h23 n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1h23 n GLY 441 N 4.37 1.01 0.46 1.57 0.00 -1.26 -4.96 105.19 106.38 1h23 n GLY 441 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1h23 n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h23 n TYR 442 N -2.00 0.33 0.19 1.61 4.02 -0.56 -2.56 117.16 118.19 1h23 n TYR 442 Ca 0.00 -0.17 0.11 0.00 -0.01 0.00 0.00 57.90 57.84 1h23 n TYR 442 Cb 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1h23 n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1h23 n GLU 443 N 0.22 0.54 -0.15 -0.72 0.00 -1.26 -4.36 120.64 114.92 1h23 n GLU 443 Ca 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 57.16 57.27 1h23 n GLU 443 Cb 0.21 -1.74 0.06 0.00 0.00 0.00 0.00 31.44 29.97 1h23 n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1h23 h ILE 444 N 0.00 0.75 -0.22 3.84 2.04 -1.90 0.43 117.51 122.46 1h23 h ILE 444 Ca 0.00 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1h23 h ILE 444 Cb 0.94 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1h23 h ILE 444 CO 0.00 0.04 0.15 1.05 0.00 0.00 0.00 178.15 179.40 1h23 h GLU 445 N 0.24 0.01 0.05 2.37 4.11 -1.78 0.18 114.58 119.75 1h23 h GLU 445 Ca 0.23 -0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.42 1h23 h GLU 445 Cb 0.30 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1h23 h GLU 445 CO -0.30 0.00 -1.05 0.74 0.07 0.00 0.00 179.01 178.48 1h23 h PHE 446 N 0.01 0.62 -0.14 2.06 -1.00 -1.22 -1.92 116.94 115.34 1h23 h PHE 446 Ca 0.10 -0.37 -0.10 0.00 2.81 0.00 0.00 57.97 60.42 1h23 h PHE 446 Cb 0.40 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1h23 h PHE 446 CO -0.00 1.22 -0.33 0.28 -1.61 0.00 0.00 178.31 177.86 1h23 h VAL 447 N 0.19 1.28 -0.35 -0.55 2.07 0.41 -2.70 116.25 116.60 1h23 h VAL 447 Ca -0.10 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1h23 h VAL 447 Cb 1.71 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1h23 h VAL 447 CO 0.18 0.41 0.00 0.49 0.02 0.00 0.00 177.57 178.67 1h23 n PHE 448 N -4.08 0.47 -1.06 1.57 3.01 0.41 -4.63 117.46 113.13 1h23 n PHE 448 Ca -0.01 -0.23 -0.02 0.00 1.01 0.00 0.00 57.45 58.19 1h23 n PHE 448 Cb 0.43 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.89 1h23 n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h23 n GLY 449 N 1.20 0.51 0.40 1.37 0.00 -1.02 -4.25 105.19 103.40 1h23 n GLY 449 Ca 0.15 -0.21 0.19 0.00 0.00 0.00 0.00 46.02 46.15 1h23 n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h23 h LEU 450 N 0.00 0.32 -1.21 0.99 -0.00 -1.64 -1.37 115.31 112.40 1h23 h LEU 450 Ca -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1h23 h LEU 450 Cb 0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1h23 h LEU 450 CO 0.07 0.15 0.00 -0.65 -0.00 0.00 0.00 178.44 178.00 1h23 h PRO 451 N 0.33 0.00 0.00 1.13 0.11 -1.90 -1.95 132.00 129.72 1h23 h PRO 451 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1h23 h PRO 451 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1h23 h PRO 451 CO -0.12 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.95 1h23 n LEU 452 N -2.30 0.62 -4.46 2.35 4.77 -0.52 -4.47 117.00 112.99 1h23 n LEU 452 Ca -0.00 0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 56.14 1h23 n LEU 452 Cb 0.12 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 40.68 1h23 n LEU 452 CO 0.14 -0.30 0.07 0.68 -1.33 0.00 0.00 177.39 176.66 1h23 s VAL 453 N -3.16 5.13 0.30 4.08 -7.23 -0.73 -4.95 120.40 113.84 1h23 s VAL 453 Ca 0.09 -0.52 0.06 0.00 -1.81 0.00 0.00 61.98 59.80 1h23 s VAL 453 Cb 0.12 -4.04 0.30 0.00 0.56 0.00 0.00 36.38 33.32 1h23 s VAL 453 CO 0.50 -0.44 1.75 0.07 -0.31 0.00 0.00 175.10 176.67 1h23 h LYS 454 N 8.73 0.64 -0.15 4.82 -0.00 -1.86 0.14 116.57 128.88 1h23 h LYS 454 Ca -0.27 -0.04 0.04 0.00 -0.00 0.00 0.00 60.65 60.39 1h23 h LYS 454 Cb 1.11 -0.15 -0.01 0.00 -0.00 0.00 0.00 32.23 33.19 1h23 h LYS 454 CO 0.80 0.43 0.25 0.93 -0.00 0.00 0.00 179.45 181.85 1h23 h GLU 455 N 0.66 0.00 0.00 0.07 3.07 -1.96 -0.84 114.58 115.59 1h23 h GLU 455 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 1h23 h GLU 455 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1h23 h GLU 455 CO -0.42 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.47 1h23 n LEU 456 N -3.48 0.02 -1.17 1.33 4.77 0.04 -4.96 117.00 113.55 1h23 n LEU 456 Ca 0.01 0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 1h23 n LEU 456 Cb 0.35 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1h23 n LEU 456 CO 0.23 -0.06 0.04 0.59 -1.33 0.00 0.00 177.39 176.86 1h23 n ASN 457 N -1.52 -2.97 -4.97 -1.43 5.03 -0.32 -5.00 115.26 104.09 1h23 n ASN 457 Ca 0.06 -0.11 -0.21 0.00 0.87 0.00 0.00 54.58 55.18 1h23 n ASN 457 Cb 0.30 -1.64 0.02 0.00 -1.02 0.00 0.00 39.78 37.44 1h23 n ASN 457 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1h23 s TYR 458 N -2.94 3.06 0.62 3.10 1.51 -1.26 -4.60 117.35 116.84 1h23 s TYR 458 Ca 0.12 0.05 -0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1h23 s TYR 458 Cb -0.05 -2.42 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 1h23 s TYR 458 CO 0.15 -0.49 0.96 0.95 -1.11 0.00 0.00 175.55 176.02 1h23 s THR 459 N -2.56 3.80 0.31 -0.71 -4.23 -1.26 -4.90 115.64 106.09 1h23 s THR 459 Ca 0.51 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.28 1h23 s THR 459 Cb -0.10 -3.53 0.28 0.00 1.34 0.00 0.00 72.50 70.49 1h23 s THR 459 CO 0.37 -0.61 1.92 0.00 -0.54 0.00 0.00 174.62 175.76 1h23 h ALA 460 N -0.30 1.53 0.00 3.99 0.00 -1.98 -0.72 119.26 121.78 1h23 h ALA 460 Ca -0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1h23 h ALA 460 Cb 1.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1h23 h ALA 460 CO 0.62 0.34 -0.23 1.05 0.00 0.00 0.00 179.25 181.02 1h23 h GLU 461 N 1.00 0.00 -0.09 0.00 9.09 -1.99 -0.46 114.58 122.13 1h23 h GLU 461 Ca 0.38 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.57 1h23 h GLU 461 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1h23 h GLU 461 CO -0.14 0.23 -0.81 0.93 0.05 0.00 0.00 179.01 179.28 1h23 h GLU 462 N 0.00 0.57 -0.54 1.06 5.08 -1.54 -0.92 114.58 118.29 1h23 h GLU 462 Ca -0.00 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 1h23 h GLU 462 Cb 0.69 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1h23 h GLU 462 CO 0.03 1.12 0.09 1.49 -1.00 0.00 0.00 179.01 180.74 1h23 h GLU 463 N 0.37 0.89 -0.63 2.33 4.81 -0.69 -0.14 114.58 121.52 1h23 h GLU 463 Ca -0.05 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1h23 h GLU 463 Cb 1.42 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 1h23 h GLU 463 CO 0.15 0.86 0.24 0.00 -0.73 0.00 0.00 179.01 179.54 1h23 h ALA 464 N 0.99 1.24 -0.37 2.92 0.00 -0.95 -1.22 119.26 121.87 1h23 h ALA 464 Ca 0.16 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1h23 h ALA 464 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1h23 h ALA 464 CO 0.01 0.55 -0.14 1.25 0.00 0.00 0.00 179.25 180.92 1h23 h LEU 465 N 0.91 0.77 -0.54 0.00 5.85 -0.66 -1.73 115.31 119.90 1h23 h LEU 465 Ca 0.21 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1h23 h LEU 465 Cb 0.19 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1h23 h LEU 465 CO -0.02 0.99 0.28 -1.28 -0.34 0.00 0.00 178.44 178.07 1h23 h SER 466 N 0.55 0.41 -0.65 1.25 0.87 -0.74 0.85 113.55 116.10 1h23 h SER 466 Ca 0.09 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1h23 h SER 466 Cb 0.68 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1h23 h SER 466 CO 0.05 0.28 0.24 0.03 -0.53 0.00 0.00 176.83 176.89 1h23 h ARG 467 N 0.55 0.99 -0.45 2.24 3.08 -1.02 0.12 114.38 119.88 1h23 h ARG 467 Ca 0.24 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1h23 h ARG 467 Cb 0.14 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1h23 h ARG 467 CO -0.16 0.84 0.26 0.00 -1.07 0.00 0.00 179.97 179.85 1h23 h ARG 468 N 0.92 0.62 -0.00 0.04 3.08 -0.66 -1.52 114.38 116.87 1h23 h ARG 468 Ca 0.21 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1h23 h ARG 468 Cb 0.24 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1h23 h ARG 468 CO -0.01 0.47 0.00 0.82 -1.07 0.00 0.00 179.97 180.18 1h23 h ILE 469 N 0.60 1.13 -0.89 2.04 2.04 -0.49 0.17 117.51 122.10 1h23 h ILE 469 Ca 0.16 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.69 1h23 h ILE 469 Cb 0.02 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1h23 h ILE 469 CO -0.03 0.10 0.57 0.24 0.00 0.00 0.00 178.15 179.03 1h23 h MET 470 N -0.16 1.02 -0.18 2.37 2.86 -0.95 0.20 114.93 120.10 1h23 h MET 470 Ca 0.00 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 1h23 h MET 470 Cb 0.16 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1h23 h MET 470 CO -0.00 0.68 -0.46 1.25 1.06 0.00 0.00 176.91 179.43 1h23 h HIS 471 N 1.05 0.56 -0.09 -0.22 -0.00 -1.09 0.47 115.15 115.83 1h23 h HIS 471 Ca 0.38 -0.17 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 1h23 h HIS 471 Cb 0.12 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1h23 h HIS 471 CO -0.02 0.84 0.01 1.88 -0.00 0.00 0.00 177.93 180.64 1h23 h TYR 472 N 0.37 0.17 -0.53 5.26 0.05 0.23 -0.61 116.97 121.92 1h23 h TYR 472 Ca 0.02 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1h23 h TYR 472 Cb 0.96 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.63 1h23 h TYR 472 CO 0.03 0.40 0.34 -1.49 -1.05 0.00 0.00 178.16 176.39 1h23 h TRP 473 N -0.10 0.68 -0.29 4.88 -0.00 -0.42 -0.63 115.95 120.07 1h23 h TRP 473 Ca 0.03 0.01 -0.18 0.00 -0.00 0.00 0.00 58.89 58.74 1h23 h TRP 473 Cb 0.32 -0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 29.26 1h23 h TRP 473 CO 0.03 0.44 -0.54 0.00 -0.00 0.00 0.00 178.44 178.37 1h23 h ALA 474 N 1.18 0.49 -0.50 1.49 0.00 -0.92 -0.66 119.26 120.34 1h23 h ALA 474 Ca 0.19 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1h23 h ALA 474 Cb -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1h23 h ALA 474 CO -0.04 0.68 -0.18 1.15 0.00 0.00 0.00 179.25 180.86 1h23 h THR 475 N 0.66 1.27 -0.67 0.00 2.02 -1.03 -0.85 112.91 114.31 1h23 h THR 475 Ca 0.02 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1h23 h THR 475 Cb 1.15 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1h23 h THR 475 CO 0.12 0.47 0.31 0.15 0.37 0.00 0.00 175.52 176.94 1h23 h PHE 476 N 0.87 0.98 -0.85 3.16 3.57 -1.02 -0.28 116.94 123.36 1h23 h PHE 476 Ca 0.12 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1h23 h PHE 476 Cb 0.75 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1h23 h PHE 476 CO 0.05 0.74 0.56 0.00 -2.23 0.00 0.00 178.31 177.43 1h23 h ALA 477 N 1.14 1.39 0.07 2.41 0.00 -0.68 0.42 119.26 124.02 1h23 h ALA 477 Ca 0.23 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 1h23 h ALA 477 Cb 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1h23 h ALA 477 CO -0.03 0.57 -1.10 -0.22 0.00 0.00 0.00 179.25 178.47 1h23 h LYS 478 N 1.16 0.36 0.00 0.00 3.64 -0.88 -3.41 116.57 117.43 1h23 h LYS 478 Ca 0.31 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1h23 h LYS 478 Cb -0.13 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1h23 h LYS 478 CO -0.07 1.18 -0.67 0.25 -2.27 0.00 0.00 179.45 177.87 1h23 n THR 479 N -3.66 0.00 -0.35 1.00 -2.24 -0.14 -5.01 114.28 103.87 1h23 n THR 479 Ca -0.08 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1h23 n THR 479 Cb 0.93 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1h23 n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h23 n GLY 480 N 1.92 0.82 3.07 3.38 0.00 0.15 -5.04 105.19 109.49 1h23 n GLY 480 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1h23 n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h23 s ASN 481 N -2.03 0.10 0.40 1.61 3.84 -1.25 -4.92 114.94 112.69 1h23 s ASN 481 Ca 0.00 0.65 0.29 0.00 0.21 0.00 0.00 52.86 54.01 1h23 s ASN 481 Cb 0.00 0.74 1.29 0.00 -0.55 0.00 0.00 41.25 42.73 1h23 s ASN 481 CO 0.00 -0.22 1.86 1.55 -2.79 0.00 0.00 177.10 177.50 1h23 h PRO 482 N 7.99 0.00 -6.49 0.43 0.13 -1.82 -3.10 132.00 129.14 1h23 h PRO 482 Ca -0.21 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.39 1h23 h PRO 482 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1h23 h PRO 482 CO 0.19 0.00 0.12 -0.80 -0.23 0.00 0.00 178.00 177.27 1h23 s ASN 483 N -4.74 7.21 0.09 1.44 0.01 -1.26 -4.46 114.94 113.23 1h23 s ASN 483 Ca 0.01 1.50 -0.30 0.00 -0.71 0.00 0.00 52.86 53.36 1h23 s ASN 483 Cb 0.09 -2.45 -0.06 0.00 0.41 0.00 0.00 41.25 39.25 1h23 s ASN 483 CO 0.41 0.16 1.16 -0.70 -1.51 0.00 0.00 177.10 176.61 1h23 s GLU 484 N -1.44 4.48 -0.61 -0.60 2.56 -1.26 -4.99 118.70 116.84 1h23 s GLU 484 Ca 0.37 1.74 -0.08 0.00 0.00 0.00 0.00 54.97 57.00 1h23 s GLU 484 Cb -0.20 -3.33 -0.07 0.00 2.00 0.00 0.00 34.13 32.53 1h23 s GLU 484 CO 0.23 -0.16 1.77 -0.35 -0.56 0.00 0.00 175.26 176.19 1h23 n PRO 485 N 3.50 1.36 -0.54 4.30 -0.04 -1.26 -5.13 135.00 137.19 1h23 n PRO 485 Ca 0.07 -1.24 -0.23 0.00 -0.04 0.00 0.00 63.50 62.06 1h23 n PRO 485 Cb 0.47 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.48 1h23 n PRO 485 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1h23 n SER 490 N 5.09 0.27 -4.72 3.54 2.88 -1.26 -5.32 113.62 114.11 1h23 n SER 490 Ca 0.34 0.24 -0.40 0.00 -1.33 0.00 0.00 58.87 57.72 1h23 n SER 490 Cb 0.15 -0.37 -0.04 0.00 -0.75 0.00 0.00 64.21 63.19 1h23 n SER 490 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1h23 s LYS 491 N 2.73 4.45 -0.46 -1.46 -0.14 -1.26 -5.03 119.74 118.57 1h23 s LYS 491 Ca 0.51 0.94 -0.26 0.00 -1.36 0.00 0.00 55.97 55.81 1h23 s LYS 491 Cb -0.60 -3.45 0.03 0.00 -1.68 0.00 0.00 37.83 32.13 1h23 s LYS 491 CO 0.26 0.05 0.94 -0.46 -0.76 0.00 0.00 175.35 175.38 1h23 s TRP 492 N 0.84 2.92 0.62 3.18 -0.11 -1.26 -5.01 118.94 120.12 1h23 s TRP 492 Ca 0.39 0.44 -0.13 0.00 1.22 0.00 0.00 56.10 58.03 1h23 s TRP 492 Cb -0.18 -3.99 -0.03 0.00 -1.50 0.00 0.00 33.47 27.77 1h23 s TRP 492 CO 0.19 -1.09 1.04 -1.25 -4.62 0.00 0.00 176.95 171.22 1h23 s PRO 493 N 3.80 3.37 0.30 5.86 0.04 -1.26 -4.88 135.00 142.23 1h23 s PRO 493 Ca 0.38 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 1h23 s PRO 493 Cb -0.10 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1h23 s PRO 493 CO 0.26 -0.75 1.32 -1.17 0.04 0.00 0.00 177.00 176.70 1h23 s LEU 494 N -4.97 4.42 -0.05 -3.56 2.96 -1.26 -4.68 118.68 111.54 1h23 s LEU 494 Ca 0.58 2.64 -0.28 0.00 -0.22 0.00 0.00 54.13 56.86 1h23 s LEU 494 Cb -0.13 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 1h23 s LEU 494 CO 0.47 -0.55 0.89 0.12 -1.32 0.00 0.00 176.35 175.96 1h23 s PHE 495 N -0.84 3.60 0.21 5.38 2.19 0.13 -4.53 117.98 124.12 1h23 s PHE 495 Ca 0.51 1.51 0.08 0.00 0.33 0.00 0.00 56.93 59.36 1h23 s PHE 495 Cb -0.39 -3.03 -0.05 0.00 -1.31 0.00 0.00 43.02 38.24 1h23 s PHE 495 CO 0.50 -0.03 -0.14 0.95 1.83 0.00 0.00 175.22 178.33 1h23 s THR 496 N 1.17 1.78 0.26 0.12 -4.23 -1.26 -4.35 115.64 109.13 1h23 s THR 496 Ca 0.46 -2.22 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 1h23 s THR 496 Cb -0.19 -2.09 0.24 0.00 1.34 0.00 0.00 72.50 71.81 1h23 s THR 496 CO 0.23 -0.57 1.82 0.74 -0.54 0.00 0.00 174.62 176.30 1h23 h THR 497 N 2.52 0.90 0.13 3.99 2.02 -1.96 0.13 112.91 120.64 1h23 h THR 497 Ca -0.38 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1h23 h THR 497 Cb 1.22 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1h23 h THR 497 CO 0.62 0.16 -0.06 0.11 0.37 0.00 0.00 175.52 176.72 1h23 h LYS 498 N 0.86 -0.17 0.00 6.66 6.56 -2.01 -3.39 116.57 125.08 1h23 h LYS 498 Ca 0.44 0.01 -0.20 0.00 -1.06 0.00 0.00 60.65 59.85 1h23 h LYS 498 Cb 0.43 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.10 1h23 h LYS 498 CO -0.26 0.20 -0.95 0.93 -2.06 0.00 0.00 179.45 177.31 1h23 h GLU 499 N -0.96 0.00 -6.56 3.15 3.07 -1.96 -3.48 114.58 107.84 1h23 h GLU 499 Ca -0.02 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.32 1h23 h GLU 499 Cb 0.44 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.23 1h23 h GLU 499 CO 0.03 0.92 -0.81 1.04 -1.40 0.00 0.00 179.01 178.79 1h23 n GLN 500 N -3.33 -4.01 -2.59 2.33 6.02 0.03 -4.48 117.38 111.35 1h23 n GLN 500 Ca -0.00 0.46 -0.37 0.00 -0.01 0.00 0.00 57.00 57.08 1h23 n GLN 500 Cb 0.91 -5.17 -0.05 0.00 1.02 0.00 0.00 30.24 26.96 1h23 n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1h23 s LYS 501 N -6.76 4.28 0.22 -1.09 1.02 -1.26 -1.60 119.74 114.54 1h23 s LYS 501 Ca 0.61 1.49 -0.08 0.00 0.02 0.00 0.00 55.97 58.01 1h23 s LYS 501 Cb -0.32 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1h23 s LYS 501 CO 0.89 -0.04 0.32 -0.59 -0.92 0.00 0.00 175.35 175.01 1h23 s PHE 502 N -1.63 0.67 0.21 3.18 -0.12 -0.18 -4.18 117.98 115.92 1h23 s PHE 502 Ca 0.56 -0.98 0.09 0.00 -0.05 0.00 0.00 56.93 56.55 1h23 s PHE 502 Cb -0.22 -0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.00 1h23 s PHE 502 CO 0.27 -0.82 -0.18 0.96 -0.05 0.00 0.00 175.22 175.41 1h23 s ILE 503 N -4.06 1.98 0.35 -4.49 -4.36 -0.92 -0.80 121.20 108.89 1h23 s ILE 503 Ca 0.28 -2.14 -0.11 0.00 -0.26 0.00 0.00 60.65 58.41 1h23 s ILE 503 Cb 0.03 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.63 1h23 s ILE 503 CO 0.09 -0.42 0.72 -1.81 0.24 0.00 0.00 174.94 173.75 1h23 s ASP 504 N -3.09 6.59 -0.27 4.36 1.01 -1.04 -0.79 116.67 123.44 1h23 s ASP 504 Ca 0.22 1.11 0.01 0.00 0.71 0.00 0.00 52.55 54.59 1h23 s ASP 504 Cb -0.04 -2.31 0.07 0.00 1.01 0.00 0.00 42.92 41.66 1h23 s ASP 504 CO 0.09 -0.29 -0.01 -0.22 0.21 0.00 0.00 175.17 174.94 1h23 s LEU 505 N -3.49 2.96 0.00 1.23 2.96 -0.07 -4.62 118.68 117.65 1h23 s LEU 505 Ca 0.51 -1.45 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 1h23 s LEU 505 Cb -0.10 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1h23 s LEU 505 CO 0.26 -0.29 0.00 -0.46 -1.32 0.00 0.00 176.35 174.54 1h23 n ASN 506 N 4.61 0.00 -0.10 3.68 0.23 -1.26 -2.69 115.26 119.73 1h23 n ASN 506 Ca -0.07 -0.59 0.15 0.00 -0.53 0.00 0.00 54.58 53.54 1h23 n ASN 506 Cb 0.43 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 38.90 1h23 n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1h23 n THR 507 N 0.00 0.00 -2.94 5.53 -2.24 -1.26 -4.88 114.28 108.48 1h23 n THR 507 Ca 0.00 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.50 1h23 n THR 507 Cb 0.00 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1h23 n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1h23 s GLU 508 N -2.22 3.05 0.31 -0.78 0.41 -1.26 -5.03 118.70 113.18 1h23 s GLU 508 Ca 0.38 -0.47 -0.29 0.00 -0.41 0.00 0.00 54.97 54.18 1h23 s GLU 508 Cb 0.21 -2.54 -0.12 0.00 -1.78 0.00 0.00 34.13 29.90 1h23 s GLU 508 CO 0.41 -0.30 1.43 -2.30 -0.49 0.00 0.00 175.26 174.00 1h23 n PRO 509 N -2.11 2.34 -1.60 0.39 -0.02 -1.26 -4.83 135.00 127.91 1h23 n PRO 509 Ca 0.02 0.83 -0.51 0.00 -2.02 0.00 0.00 63.50 61.81 1h23 n PRO 509 Cb 0.58 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1h23 n PRO 509 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1h23 n MET 510 N 1.26 1.29 -5.27 -0.52 1.56 -1.26 -4.99 117.12 109.18 1h23 n MET 510 Ca 0.07 0.46 -0.31 0.00 -0.27 0.00 0.00 57.70 57.65 1h23 n MET 510 Cb 0.36 -2.12 -0.16 0.00 2.15 0.00 0.00 33.22 33.45 1h23 n MET 510 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1h23 s LYS 511 N 0.48 2.13 -0.14 2.12 1.02 -1.26 -5.04 119.74 119.06 1h23 s LYS 511 Ca 0.83 -0.91 -0.05 0.00 0.02 0.00 0.00 55.97 55.86 1h23 s LYS 511 Cb -0.91 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1h23 s LYS 511 CO 0.46 0.52 0.05 0.08 -0.92 0.00 0.00 175.35 175.53 1h23 s VAL 512 N -0.52 4.67 0.42 3.17 1.01 -1.26 -2.51 120.40 125.37 1h23 s VAL 512 Ca 0.08 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1h23 s VAL 512 Cb -0.10 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1h23 s VAL 512 CO -0.00 0.54 0.16 1.41 0.00 0.00 0.00 175.10 177.21 1h23 n HIS 513 N 2.81 0.08 -4.15 5.22 -0.00 0.01 -4.97 115.22 114.22 1h23 n HIS 513 Ca -0.18 -2.71 -0.17 0.00 -0.00 0.00 0.00 57.72 54.66 1h23 n HIS 513 Cb 0.53 0.02 -0.12 0.00 -0.00 0.00 0.00 29.99 30.42 1h23 n HIS 513 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1h23 s GLN 514 N -3.59 0.76 -0.96 -0.41 -0.21 -1.26 -1.01 119.66 112.97 1h23 s GLN 514 Ca 0.23 -0.93 -0.09 0.00 0.02 0.00 0.00 55.36 54.59 1h23 s GLN 514 Cb 0.01 -0.67 -0.02 0.00 1.00 0.00 0.00 33.01 33.33 1h23 s GLN 514 CO 0.16 0.14 0.77 0.54 -2.12 0.00 0.00 175.29 174.78 1h23 n ARG 515 N 1.24 -1.52 -1.66 2.91 1.74 -0.63 -4.84 116.66 113.90 1h23 n ARG 515 Ca -0.21 0.89 -0.56 0.00 -0.77 0.00 0.00 57.85 57.20 1h23 n ARG 515 Cb 0.55 -4.75 -0.07 0.00 -1.02 0.00 0.00 32.46 27.17 1h23 n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1h23 n LEU 516 N -3.07 2.34 -4.50 0.55 7.94 -1.26 -1.96 117.00 117.05 1h23 n LEU 516 Ca -0.09 0.97 -0.41 0.00 -1.11 0.00 0.00 56.01 55.37 1h23 n LEU 516 Cb 0.58 -1.15 -0.08 0.00 0.53 0.00 0.00 43.42 43.30 1h23 n LEU 516 CO 0.61 -0.46 -0.21 0.54 -1.11 0.00 0.00 177.39 176.76 1h23 n ARG 517 N 5.90 -0.85 -0.14 1.96 1.74 -1.26 -4.85 116.66 119.15 1h23 n ARG 517 Ca 0.29 0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 57.48 1h23 n ARG 517 Cb 0.14 -4.56 0.05 0.00 -1.02 0.00 0.00 32.46 27.08 1h23 n ARG 517 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1h23 h VAL 518 N -1.04 0.80 0.04 1.55 2.07 -1.76 -0.50 116.25 117.41 1h23 h VAL 518 Ca -0.61 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1h23 h VAL 518 Cb 1.39 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1h23 h VAL 518 CO 0.86 0.05 -0.46 -0.61 0.02 0.00 0.00 177.57 177.43 1h23 h GLN 519 N 0.28 -0.62 -0.25 1.57 5.75 -1.89 -0.35 115.11 119.60 1h23 h GLN 519 Ca 0.22 0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.66 1h23 h GLN 519 Cb 0.26 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1h23 h GLN 519 CO -0.26 -0.41 -0.30 0.52 -2.65 0.00 0.00 178.83 175.73 1h23 h MET 520 N -0.64 0.51 0.00 1.69 2.86 -1.93 -2.98 114.93 114.44 1h23 h MET 520 Ca 0.03 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1h23 h MET 520 Cb 0.70 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1h23 h MET 520 CO -0.31 0.76 -0.05 0.00 1.06 0.00 0.00 176.91 178.37 1h23 h VAL 522 N 0.00 1.38 0.27 0.00 2.07 -0.91 0.07 116.25 119.12 1h23 h VAL 522 Ca -0.00 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1h23 h VAL 522 Cb 0.58 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1h23 h VAL 522 CO 0.01 0.59 -0.13 0.15 0.02 0.00 0.00 177.57 178.20 1h23 h PHE 523 N 0.23 -0.34 -0.07 1.57 3.57 -1.23 -0.51 116.94 120.16 1h23 h PHE 523 Ca -0.01 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 1h23 h PHE 523 Cb 1.13 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1h23 h PHE 523 CO 0.03 -0.09 -0.46 -1.49 -2.23 0.00 0.00 178.31 174.07 1h23 h TRP 524 N -0.55 0.19 0.00 0.41 4.06 -1.15 0.19 115.95 119.09 1h23 h TRP 524 Ca -0.04 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 60.78 1h23 h TRP 524 Cb 0.41 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 1h23 h TRP 524 CO -0.01 0.60 -1.92 0.09 -3.56 0.00 0.00 178.44 173.64 1h23 n ASN 525 N -3.98 0.16 0.00 -3.49 3.02 0.00 -4.46 115.26 106.51 1h23 n ASN 525 Ca -0.02 0.07 -0.01 0.00 -0.03 0.00 0.00 54.58 54.59 1h23 n ASN 525 Cb 0.50 1.50 -0.00 0.00 -0.61 0.00 0.00 39.78 41.17 1h23 n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h23 n GLN 526 N -2.44 0.03 0.05 3.52 3.00 -0.29 -4.79 117.38 116.46 1h23 n GLN 526 Ca -0.09 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.81 1h23 n GLN 526 Cb 0.70 -0.55 -0.07 0.00 0.00 0.00 0.00 30.24 30.31 1h23 n GLN 526 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1h23 h PHE 527 N -0.05 -0.19 -0.59 1.08 3.57 -1.18 -3.07 116.94 116.51 1h23 h PHE 527 Ca -0.03 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1h23 h PHE 527 Cb 0.80 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 1h23 h PHE 527 CO -0.01 0.24 0.26 1.25 -2.23 0.00 0.00 178.31 177.83 1h23 h LEU 528 N -0.89 0.33 -0.81 0.59 5.85 -0.88 0.38 115.31 119.88 1h23 h LEU 528 Ca -0.02 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1h23 h LEU 528 Cb 0.52 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1h23 h LEU 528 CO 0.03 0.21 0.32 -0.65 -0.34 0.00 0.00 178.44 178.01 1h23 h PRO 529 N 0.49 1.20 -0.85 5.25 0.11 -1.78 -0.39 132.00 136.03 1h23 h PRO 529 Ca 0.28 -0.22 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 1h23 h PRO 529 Cb 0.27 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 1h23 h PRO 529 CO -0.24 0.97 0.51 -0.22 -0.21 0.00 0.00 178.00 178.81 1h23 h LYS 530 N 1.17 1.15 0.19 1.05 3.64 -1.26 -1.03 116.57 121.48 1h23 h LYS 530 Ca 0.27 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1h23 h LYS 530 Cb 0.22 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1h23 h LYS 530 CO -0.02 0.81 -0.15 1.25 -2.27 0.00 0.00 179.45 179.07 1h23 h LEU 531 N 1.16 -0.38 -1.55 5.20 5.85 -0.32 -1.36 115.31 123.92 1h23 h LEU 531 Ca 0.30 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 1h23 h LEU 531 Cb -0.05 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1h23 h LEU 531 CO -0.06 -0.23 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.62 1h23 h LEU 532 N -0.35 0.13 -0.32 2.25 3.38 -0.87 -2.51 115.31 117.02 1h23 h LEU 532 Ca -0.01 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1h23 h LEU 532 Cb 0.31 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1h23 h LEU 532 CO -0.01 0.27 -0.80 -1.13 0.09 0.00 0.00 178.44 176.86 1h23 h ASN 533 N 0.14 0.49 -0.19 -0.43 -1.24 -0.89 -3.29 115.58 110.16 1h23 h ASN 533 Ca 0.03 -0.35 -0.17 0.00 0.71 0.00 0.00 56.30 56.52 1h23 h ASN 533 Cb 0.30 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1h23 h ASN 533 CO 0.02 1.11 -0.54 0.00 -1.29 0.00 0.00 177.43 176.73 1h23 h ALA 534 N 0.87 0.32 -0.00 1.57 0.00 -1.04 -3.51 119.26 117.47 1h23 h ALA 534 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1h23 h ALA 534 Cb 1.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1h23 h ALA 534 CO 0.14 0.53 0.00 0.25 0.00 0.00 0.00 179.25 180.17