#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h24 n MET 1 N 0.00 0.55 -0.08 1.43 0.00 -1.26 -3.71 117.12 114.05 1h24 n MET 1 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.63 1h24 n MET 1 Cb 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 33.22 32.19 1h24 n MET 1 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1h24 h GLU 2 N 0.00 0.15 0.00 0.03 4.57 -2.06 -2.89 114.58 114.39 1h24 h GLU 2 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1h24 h GLU 2 Cb 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1h24 h GLU 2 CO 0.00 0.10 0.00 0.09 -1.18 0.00 0.00 179.01 178.02 1h24 n ASN 3 N -5.10 0.00 -4.47 1.04 3.02 -1.24 -4.79 115.26 103.73 1h24 n ASN 3 Ca -0.00 -0.21 -0.36 0.00 -0.03 0.00 0.00 54.58 53.97 1h24 n ASN 3 Cb 0.13 -0.25 -0.12 0.00 -0.61 0.00 0.00 39.78 38.93 1h24 n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1h24 s PHE 4 N -2.50 3.10 -0.22 3.10 0.08 -1.09 -0.11 117.98 120.35 1h24 s PHE 4 Ca 0.28 -0.35 -0.10 0.00 0.12 0.00 0.00 56.93 56.88 1h24 s PHE 4 Cb 0.19 -2.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.35 1h24 s PHE 4 CO 0.41 -0.31 0.14 -1.14 -0.10 0.00 0.00 175.22 174.21 1h24 s GLN 5 N 1.55 4.10 0.06 0.44 2.00 -0.07 -4.90 119.66 122.84 1h24 s GLN 5 Ca 0.06 -0.26 -0.27 0.00 -2.00 0.00 0.00 55.36 52.88 1h24 s GLN 5 Cb -0.15 -3.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.14 1h24 s GLN 5 CO 0.04 0.16 0.87 0.15 -0.50 0.00 0.00 175.29 176.01 1h24 s LYS 6 N 0.76 4.59 -0.11 1.67 1.02 -1.26 -0.50 119.74 125.90 1h24 s LYS 6 Ca 0.07 1.25 -0.09 0.00 0.02 0.00 0.00 55.97 57.23 1h24 s LYS 6 Cb -0.13 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1h24 s LYS 6 CO 0.02 0.22 -0.17 0.28 -0.92 0.00 0.00 175.35 174.77 1h24 n VAL 7 N 2.93 1.05 -3.95 3.17 0.31 0.17 -4.93 118.33 117.08 1h24 n VAL 7 Ca 0.00 0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 64.52 1h24 n VAL 7 Cb 0.50 -2.14 -0.06 0.00 -0.91 0.00 0.00 33.84 31.23 1h24 n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1h24 s GLU 8 N -2.06 1.37 0.26 5.55 -1.05 -1.20 -5.01 118.70 116.57 1h24 s GLU 8 Ca -0.14 -1.17 -0.26 0.00 -0.15 0.00 0.00 54.97 53.24 1h24 s GLU 8 Cb 0.02 0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 34.06 1h24 s GLU 8 CO 0.21 -0.55 0.89 0.21 0.95 0.00 0.00 175.26 176.97 1h24 s LYS 9 N -3.98 4.63 0.00 -4.83 2.20 -1.26 -1.94 119.74 114.55 1h24 s LYS 9 Ca 0.19 1.29 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 1h24 s LYS 9 Cb 0.01 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1h24 s LYS 9 CO 0.04 0.42 0.00 1.51 -0.36 0.00 0.00 175.35 176.96 1h24 n ILE 10 N 1.04 0.00 0.00 5.43 3.06 -0.47 -4.88 119.36 123.54 1h24 n ILE 10 Ca -0.01 -0.18 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 1h24 n ILE 10 Cb 0.49 0.82 0.00 0.00 0.54 0.00 0.00 39.64 41.49 1h24 n ILE 10 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1h24 n GLY 11 N 0.64 2.45 3.42 4.50 0.00 -1.18 -4.97 105.19 110.04 1h24 n GLY 11 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1h24 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h24 s GLU 12 N -1.74 2.31 0.47 1.61 2.12 -1.26 0.86 118.70 123.06 1h24 s GLU 12 Ca 0.00 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.54 1h24 s GLU 12 Cb 0.00 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 32.13 1h24 s GLU 12 CO 0.00 0.59 0.04 0.20 -0.54 0.00 0.00 175.26 175.55 1h24 s GLY 13 N -0.79 2.84 0.17 -1.50 0.00 1.54 -4.93 107.32 104.64 1h24 s GLY 13 Ca 0.11 -0.85 -0.18 0.00 0.00 0.00 0.00 44.72 43.81 1h24 s GLY 13 CO 0.01 -2.08 1.28 -1.30 0.00 0.00 0.00 173.10 171.00 1h24 n THR 14 N -1.12 -0.48 -1.34 0.90 -2.24 -1.26 -1.81 114.28 106.93 1h24 n THR 14 Ca -0.14 1.95 0.08 0.00 -2.27 0.00 0.00 64.05 63.67 1h24 n THR 14 Cb 0.66 -2.52 0.16 0.00 -2.10 0.00 0.00 70.33 66.53 1h24 n THR 14 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1h24 n TYR 15 N -5.15 0.00 -3.95 4.78 4.02 -1.26 -5.10 117.16 110.50 1h24 n TYR 15 Ca 0.06 -1.16 0.02 0.00 -0.01 0.00 0.00 57.90 56.81 1h24 n TYR 15 Cb 0.29 -0.19 0.01 0.00 -0.02 0.00 0.00 39.34 39.44 1h24 n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h24 n GLY 16 N -1.23 0.37 3.58 2.72 0.00 -0.75 -2.86 105.19 107.02 1h24 n GLY 16 Ca 0.16 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1h24 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h24 s VAL 17 N -2.07 3.42 -0.08 1.61 1.01 -1.22 0.44 120.40 123.51 1h24 s VAL 17 Ca 0.21 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1h24 s VAL 17 Cb -0.01 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1h24 s VAL 17 CO -0.00 0.14 -0.23 -0.69 0.00 0.00 0.00 175.10 174.31 1h24 s VAL 18 N -1.20 1.98 0.28 2.92 1.01 0.25 -1.08 120.40 124.55 1h24 s VAL 18 Ca 0.21 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.31 1h24 s VAL 18 Cb -0.11 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1h24 s VAL 18 CO 0.13 0.54 -0.08 -0.31 0.00 0.00 0.00 175.10 175.39 1h24 s TYR 19 N 0.22 2.51 -0.18 5.22 1.51 0.80 -1.37 117.35 126.06 1h24 s TYR 19 Ca -0.14 -0.29 -0.15 0.00 -1.01 0.00 0.00 57.07 55.48 1h24 s TYR 19 Cb -0.17 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1h24 s TYR 19 CO 0.07 0.64 0.33 0.21 -1.11 0.00 0.00 175.55 175.70 1h24 s LYS 20 N -3.61 4.23 0.20 -0.62 2.20 -0.82 0.15 119.74 121.46 1h24 s LYS 20 Ca 0.31 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1h24 s LYS 20 Cb -0.05 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1h24 s LYS 20 CO 0.18 0.12 0.07 0.00 -0.36 0.00 0.00 175.35 175.36 1h24 s ALA 21 N 0.81 1.33 -0.14 3.13 0.00 -0.52 0.42 121.76 126.79 1h24 s ALA 21 Ca 0.17 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1h24 s ALA 21 Cb -0.14 0.93 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1h24 s ALA 21 CO 0.06 -0.45 -0.21 0.50 0.00 0.00 0.00 175.76 175.65 1h24 s ARG 22 N -4.03 2.95 0.03 0.00 3.52 0.35 -1.19 118.95 120.58 1h24 s ARG 22 Ca 0.31 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 1h24 s ARG 22 Cb 0.07 -2.38 -0.06 0.00 -1.56 0.00 0.00 34.95 31.02 1h24 s ARG 22 CO 0.08 -0.02 1.28 1.21 -0.81 0.00 0.00 175.30 177.04 1h24 s ASN 23 N 0.82 6.98 0.00 -2.12 3.84 0.70 -0.89 114.94 124.27 1h24 s ASN 23 Ca -0.07 2.05 0.27 0.00 0.21 0.00 0.00 52.86 55.32 1h24 s ASN 23 Cb -0.15 -2.57 0.83 0.00 -0.55 0.00 0.00 41.25 38.80 1h24 s ASN 23 CO -0.02 -0.58 1.63 0.29 -2.79 0.00 0.00 177.10 175.64 1h24 n LYS 24 N 4.49 0.13 -0.02 0.43 5.02 0.85 -1.84 118.16 127.22 1h24 n LYS 24 Ca 0.11 -0.05 0.04 0.00 -2.02 0.00 0.00 58.31 56.38 1h24 n LYS 24 Cb 0.45 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.84 1h24 n LYS 24 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1h24 n LEU 25 N -1.39 0.00 -0.08 -0.35 4.77 -1.26 -4.56 117.00 114.13 1h24 n LEU 25 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1h24 n LEU 25 Cb 0.33 0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 1h24 n LEU 25 CO 0.31 0.09 -1.02 0.35 -1.33 0.00 0.00 177.39 175.79 1h24 n THR 26 N -2.17 1.45 -0.29 -5.08 -2.24 -1.26 -4.98 114.28 99.71 1h24 n THR 26 Ca -0.08 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 1h24 n THR 26 Cb 0.55 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1h24 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h24 n GLY 27 N 1.73 0.78 3.75 3.38 0.00 -0.76 -5.05 105.19 109.01 1h24 n GLY 27 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1h24 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h24 n GLU 28 N -2.00 2.15 -3.75 1.61 2.13 -1.24 -4.49 120.64 115.06 1h24 n GLU 28 Ca 0.00 0.77 -0.37 0.00 0.66 0.00 0.00 57.16 58.22 1h24 n GLU 28 Cb 0.00 -2.57 -0.06 0.00 0.27 0.00 0.00 31.44 29.08 1h24 n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1h24 s VAL 29 N -1.20 5.36 0.27 6.31 1.01 -1.26 -0.21 120.40 130.68 1h24 s VAL 29 Ca 0.62 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 1h24 s VAL 29 Cb -0.46 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1h24 s VAL 29 CO 0.57 0.58 0.34 0.68 0.00 0.00 0.00 175.10 177.27 1h24 s VAL 30 N -0.83 0.00 -0.15 2.92 -7.23 -0.34 -3.84 120.40 110.93 1h24 s VAL 30 Ca 0.17 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1h24 s VAL 30 Cb -0.13 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 1h24 s VAL 30 CO 0.06 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.74 1h24 s ALA 31 N -3.70 2.68 -0.26 1.32 0.00 0.25 -1.44 121.76 120.61 1h24 s ALA 31 Ca 0.33 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1h24 s ALA 31 Cb 0.02 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1h24 s ALA 31 CO 0.16 0.13 0.00 -0.51 0.00 0.00 0.00 175.76 175.55 1h24 s LEU 32 N 0.53 3.41 -0.43 0.00 1.43 0.12 -0.42 118.68 123.33 1h24 s LEU 32 Ca -0.07 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.17 1h24 s LEU 32 Cb -0.15 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1h24 s LEU 32 CO 0.04 -0.13 0.36 -0.75 0.23 0.00 0.00 176.35 176.09 1h24 s LYS 33 N 1.43 3.00 -0.01 1.70 2.20 -0.35 -0.14 119.74 127.58 1h24 s LYS 33 Ca 0.02 -1.05 -0.28 0.00 -0.36 0.00 0.00 55.97 54.31 1h24 s LYS 33 Cb -0.16 -4.02 -0.04 0.00 -1.51 0.00 0.00 37.83 32.10 1h24 s LYS 33 CO -0.01 -0.85 0.88 0.21 -0.36 0.00 0.00 175.35 175.22 1h24 s LYS 34 N 1.78 4.53 -0.19 4.03 2.20 -0.25 -1.14 119.74 130.71 1h24 s LYS 34 Ca 0.06 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.92 1h24 s LYS 34 Cb -0.20 -3.44 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1h24 s LYS 34 CO 0.10 0.03 -0.18 0.42 -0.36 0.00 0.00 175.35 175.36 1h24 s ILE 35 N 0.79 2.03 0.14 5.43 1.01 0.19 -3.39 121.20 127.39 1h24 s ILE 35 Ca 0.46 -1.02 -0.23 0.00 0.00 0.00 0.00 60.65 59.87 1h24 s ILE 35 Cb -0.20 -1.89 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 1h24 s ILE 35 CO 0.25 0.44 0.70 -0.60 0.00 0.00 0.00 174.94 175.73 1h24 s ARG 36 N 1.28 4.42 0.00 2.79 3.52 -1.14 -1.12 118.95 128.70 1h24 s ARG 36 Ca 0.03 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 56.62 1h24 s ARG 36 Cb -0.14 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1h24 s ARG 36 CO -0.12 0.59 0.00 1.28 -0.81 0.00 0.00 175.30 176.24 1h24 n LEU 37 N 1.59 0.00 0.00 -0.88 4.77 -1.15 -4.96 117.00 116.37 1h24 n LEU 37 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1h24 n LEU 37 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1h24 n LEU 37 CO 0.44 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.83 1h24 n ASP 38 N 0.00 0.00 -0.24 -1.43 4.64 -1.26 -4.97 116.55 113.28 1h24 n ASP 38 Ca 0.00 0.00 0.03 0.00 -1.38 0.00 0.00 54.79 53.44 1h24 n ASP 38 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.07 1h24 n ASP 38 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1h24 n THR 39 N 0.00 0.00 -1.97 5.18 -1.04 -1.26 -4.80 114.28 110.39 1h24 n THR 39 Ca 0.00 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1h24 n THR 39 Cb 0.00 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 1h24 n THR 39 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1h24 n GLU 40 N -1.89 -2.43 0.00 -2.82 4.71 -1.26 -4.74 120.64 112.22 1h24 n GLU 40 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1h24 n GLU 40 Cb 0.11 -3.48 0.00 0.00 -1.01 0.00 0.00 31.44 27.06 1h24 n GLU 40 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1h24 n THR 41 N -1.86 0.00 -0.44 2.62 -1.04 -1.26 -5.02 114.28 107.27 1h24 n THR 41 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1h24 n THR 41 Cb 0.36 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1h24 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1h24 n GLU 42 N 0.00 -0.29 0.00 -2.82 -0.58 -1.26 -5.13 120.64 110.56 1h24 n GLU 42 Ca 0.00 -0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.37 1h24 n GLU 42 Cb 0.00 -0.78 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1h24 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h24 n GLY 43 N -0.03 -0.66 3.66 0.62 0.00 -1.26 -4.74 105.19 102.78 1h24 n GLY 43 Ca 0.00 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1h24 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h24 s VAL 44 N 0.00 3.59 0.36 1.61 1.01 -1.26 -4.92 120.40 120.80 1h24 s VAL 44 Ca 0.00 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 62.44 1h24 s VAL 44 Cb 0.00 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 1h24 s VAL 44 CO 0.00 -0.06 1.41 -2.65 0.00 0.00 0.00 175.10 173.80 1h24 n PRO 45 N 7.00 2.47 -0.20 2.72 -0.02 -1.26 -4.78 135.00 140.93 1h24 n PRO 45 Ca 0.17 0.86 0.11 0.00 -2.02 0.00 0.00 63.50 62.62 1h24 n PRO 45 Cb 0.43 -2.54 0.41 0.00 -0.02 0.00 0.00 33.50 31.78 1h24 n PRO 45 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1h24 h SER 46 N 2.82 0.57 -0.45 2.55 4.64 -1.93 0.18 113.55 121.92 1h24 h SER 46 Ca -0.49 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1h24 h SER 46 Cb 1.26 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1h24 h SER 46 CO 0.64 0.32 0.14 0.71 -0.87 0.00 0.00 176.83 177.77 1h24 h THR 47 N 0.62 1.22 -0.33 2.95 1.35 -1.89 -0.82 112.91 116.02 1h24 h THR 47 Ca 0.37 -0.75 -0.07 0.00 -0.55 0.00 0.00 66.41 65.42 1h24 h THR 47 Cb 0.58 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 1h24 h THR 47 CO -0.14 0.27 -0.09 0.00 -0.25 0.00 0.00 175.52 175.31 1h24 h ALA 48 N 0.99 1.25 -0.52 6.62 0.00 -1.37 -0.77 119.26 125.47 1h24 h ALA 48 Ca 0.14 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1h24 h ALA 48 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1h24 h ALA 48 CO -0.00 0.49 0.01 0.82 0.00 0.00 0.00 179.25 180.57 1h24 h ILE 49 N 0.50 1.25 -0.09 0.00 5.03 -0.37 -1.71 117.51 122.12 1h24 h ILE 49 Ca 0.10 -1.04 -0.08 0.00 -0.12 0.00 0.00 64.86 63.72 1h24 h ILE 49 Cb 0.46 0.84 0.00 0.00 -3.03 0.00 0.00 36.82 35.09 1h24 h ILE 49 CO 0.02 0.37 -0.25 0.03 -0.68 0.00 0.00 178.15 177.64 1h24 h ARG 50 N 0.81 0.33 -0.34 2.37 3.08 -0.84 -2.89 114.38 116.90 1h24 h ARG 50 Ca 0.15 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1h24 h ARG 50 Cb 0.47 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1h24 h ARG 50 CO 0.02 0.85 0.15 1.49 -1.07 0.00 0.00 179.97 181.41 1h24 h GLU 51 N -0.13 0.30 -0.48 0.04 4.81 -1.01 0.19 114.58 118.30 1h24 h GLU 51 Ca -0.01 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1h24 h GLU 51 Cb 0.86 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1h24 h GLU 51 CO 0.05 0.20 -0.10 0.82 -0.73 0.00 0.00 179.01 179.25 1h24 h ILE 52 N 0.31 1.27 -0.00 2.32 2.04 -1.39 -0.93 117.51 121.13 1h24 h ILE 52 Ca 0.15 -1.23 -0.18 0.00 1.00 0.00 0.00 64.86 64.60 1h24 h ILE 52 Cb 0.09 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1h24 h ILE 52 CO -0.13 0.43 -0.82 0.77 0.00 0.00 0.00 178.15 178.41 1h24 h SER 53 N 0.77 0.12 0.01 1.72 4.64 -1.25 -1.90 113.55 117.67 1h24 h SER 53 Ca 0.12 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 1h24 h SER 53 Cb 0.66 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1h24 h SER 53 CO 0.05 0.88 -0.56 -0.07 -0.87 0.00 0.00 176.83 176.26 1h24 h LEU 54 N 0.06 0.48 -1.40 5.97 3.38 -0.51 -3.12 115.31 120.17 1h24 h LEU 54 Ca -0.02 -0.78 0.11 0.00 0.09 0.00 0.00 57.88 57.27 1h24 h LEU 54 Cb 1.43 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1h24 h LEU 54 CO 0.12 1.20 0.51 -0.07 0.09 0.00 0.00 178.44 180.28 1h24 h LEU 55 N -0.19 0.60 -2.28 1.67 4.07 -1.16 0.09 115.31 118.10 1h24 h LEU 55 Ca -0.07 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1h24 h LEU 55 Cb 1.29 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 1h24 h LEU 55 CO 0.11 0.35 -0.03 0.11 -1.08 0.00 0.00 178.44 177.90 1h24 h LYS 56 N 0.66 0.00 0.00 1.13 1.57 -1.27 -2.25 116.57 116.40 1h24 h LYS 56 Ca 0.36 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.08 1h24 h LYS 56 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1h24 h LYS 56 CO -0.14 0.03 -0.87 0.93 -0.57 0.00 0.00 179.45 178.83 1h24 h GLU 57 N 0.00 0.00 -4.05 3.15 5.08 -1.01 -3.43 114.58 114.32 1h24 h GLU 57 Ca -0.00 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.59 1h24 h GLU 57 Cb 0.23 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.25 1h24 h GLU 57 CO 0.00 0.17 0.94 1.28 -1.00 0.00 0.00 179.01 180.40 1h24 n LEU 58 N -2.90 5.49 -4.43 1.33 4.77 -0.85 -4.97 117.00 115.44 1h24 n LEU 58 Ca -0.02 -4.78 -0.38 0.00 -0.03 0.00 0.00 56.01 50.81 1h24 n LEU 58 Cb 0.66 -1.53 -0.12 0.00 -2.33 0.00 0.00 43.42 40.10 1h24 n LEU 58 CO 0.40 1.10 -0.23 0.54 -1.33 0.00 0.00 177.39 177.87 1h24 s ASN 59 N 1.79 5.42 -0.14 -1.43 4.22 -1.26 -4.90 114.94 118.64 1h24 s ASN 59 Ca 0.37 -0.46 -0.24 0.00 -2.14 0.00 0.00 52.86 50.38 1h24 s ASN 59 Cb -0.05 -1.97 0.06 0.00 1.28 0.00 0.00 41.25 40.56 1h24 s ASN 59 CO -0.03 -0.15 0.60 -2.28 -2.04 0.00 0.00 177.10 173.20 1h24 s HIS 60 N 1.60 -0.61 -0.10 1.54 2.46 -1.26 -5.05 115.29 113.87 1h24 s HIS 60 Ca 0.05 1.29 0.26 0.00 0.47 0.00 0.00 55.06 57.13 1h24 s HIS 60 Cb -0.17 0.28 1.34 0.00 -0.13 0.00 0.00 32.58 33.90 1h24 s HIS 60 CO 0.05 -0.44 1.79 -1.35 -2.47 0.00 0.00 174.74 172.32 1h24 h PRO 61 N 4.20 0.00 -0.16 2.88 0.11 -1.99 -2.06 132.00 134.98 1h24 h PRO 61 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1h24 h PRO 61 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1h24 h PRO 61 CO 0.25 0.00 -0.09 0.09 -0.21 0.00 0.00 178.00 178.04 1h24 n ASN 62 N -2.41 2.75 -4.04 -2.05 4.13 -1.26 -4.86 115.26 107.52 1h24 n ASN 62 Ca -0.01 -3.35 -0.29 0.00 1.68 0.00 0.00 54.58 52.61 1h24 n ASN 62 Cb 0.08 -0.53 -0.17 0.00 -1.54 0.00 0.00 39.78 37.63 1h24 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1h24 s ILE 63 N -3.01 1.49 0.26 2.41 1.01 -0.78 -0.98 121.20 121.60 1h24 s ILE 63 Ca 0.39 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 1h24 s ILE 63 Cb 0.34 -1.37 -0.14 0.00 0.01 0.00 0.00 42.46 41.30 1h24 s ILE 63 CO 0.03 0.44 1.05 0.55 0.00 0.00 0.00 174.94 177.01 1h24 n VAL 64 N 4.34 1.73 -3.61 2.92 3.14 -0.63 -4.59 118.33 121.63 1h24 n VAL 64 Ca -0.18 -0.43 -0.37 0.00 -2.96 0.00 0.00 64.34 60.40 1h24 n VAL 64 Cb 0.51 -0.98 -0.09 0.00 -1.06 0.00 0.00 33.84 32.22 1h24 n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1h24 s LYS 65 N -1.26 4.13 -0.47 1.45 2.20 -1.26 -4.98 119.74 119.54 1h24 s LYS 65 Ca 0.62 -0.14 -0.28 0.00 -0.36 0.00 0.00 55.97 55.80 1h24 s LYS 65 Cb -0.73 -3.51 0.03 0.00 -1.51 0.00 0.00 37.83 32.11 1h24 s LYS 65 CO 0.58 0.10 1.09 -1.17 -0.36 0.00 0.00 175.35 175.59 1h24 s LEU 66 N 0.93 3.72 0.01 5.43 2.96 -1.26 -1.40 118.68 129.06 1h24 s LEU 66 Ca 0.10 0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 54.25 1h24 s LEU 66 Cb -0.13 -3.47 -0.35 0.00 0.50 0.00 0.00 46.19 42.74 1h24 s LEU 66 CO 0.04 -1.21 0.94 -0.07 -1.32 0.00 0.00 176.35 174.73 1h24 h LEU 67 N 11.07 0.76 -7.35 -0.68 3.38 -0.32 -3.49 115.31 118.69 1h24 h LEU 67 Ca -0.23 -0.93 0.08 0.00 0.09 0.00 0.00 57.88 56.89 1h24 h LEU 67 Cb 1.06 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.46 1h24 h LEU 67 CO 1.11 1.67 0.35 -0.62 0.09 0.00 0.00 178.44 181.04 1h24 s ASP 68 N -7.46 -0.36 -0.07 -0.43 -1.08 -1.13 -5.01 116.67 101.13 1h24 s ASP 68 Ca -0.11 -0.21 0.01 0.00 -0.52 0.00 0.00 52.55 51.72 1h24 s ASP 68 Cb 0.04 0.54 0.02 0.00 -1.46 0.00 0.00 42.92 42.06 1h24 s ASP 68 CO 0.92 -0.93 -0.09 -0.69 0.52 0.00 0.00 175.17 174.89 1h24 s VAL 69 N -3.51 0.96 -0.17 1.11 1.01 -1.26 -1.04 120.40 117.50 1h24 s VAL 69 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1h24 s VAL 69 Cb -0.02 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 1h24 s VAL 69 CO -0.05 0.33 -0.13 -0.63 0.00 0.00 0.00 175.10 174.63 1h24 s ILE 70 N 1.00 2.84 -0.09 2.22 1.01 0.86 -4.98 121.20 124.06 1h24 s ILE 70 Ca -0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 1h24 s ILE 70 Cb -0.15 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1h24 s ILE 70 CO -0.00 0.50 0.01 -2.28 0.00 0.00 0.00 174.94 173.17 1h24 s HIS 71 N 0.95 3.18 0.26 3.97 2.46 -1.26 -0.22 115.29 124.63 1h24 s HIS 71 Ca -0.02 0.19 0.02 0.00 0.47 0.00 0.00 55.06 55.71 1h24 s HIS 71 Cb -0.15 -1.82 -0.05 0.00 -0.13 0.00 0.00 32.58 30.43 1h24 s HIS 71 CO -0.01 0.45 0.09 0.95 -2.47 0.00 0.00 174.74 173.74 1h24 s THR 72 N -0.79 0.63 -1.16 0.89 -4.23 -0.68 -5.00 115.64 105.31 1h24 s THR 72 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1h24 s THR 72 Cb -0.12 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1h24 s THR 72 CO 0.02 -0.02 0.87 1.21 -0.54 0.00 0.00 174.62 176.16 1h24 n GLU 73 N -0.48 0.00 0.00 3.99 2.13 -1.26 -3.69 120.64 121.33 1h24 n GLU 73 Ca -0.01 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1h24 n GLU 73 Cb 0.66 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.85 1h24 n GLU 73 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1h24 n ASN 74 N -1.37 0.57 -4.28 4.31 0.23 -1.26 -4.89 115.26 108.58 1h24 n ASN 74 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 1h24 n ASN 74 Cb 0.02 0.04 -0.13 0.00 -2.08 0.00 0.00 39.78 37.64 1h24 n ASN 74 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1h24 s LYS 75 N -1.12 1.13 -0.16 -3.83 2.47 -1.24 -2.94 119.74 114.04 1h24 s LYS 75 Ca 0.00 -1.16 -0.01 0.00 -1.56 0.00 0.00 55.97 53.24 1h24 s LYS 75 Cb 0.00 -1.39 -0.01 0.00 -1.46 0.00 0.00 37.83 34.97 1h24 s LYS 75 CO 0.00 0.32 -0.10 -1.17 0.16 0.00 0.00 175.35 174.56 1h24 s LEU 76 N -1.89 2.77 -0.26 5.43 2.96 -0.28 -1.68 118.68 125.73 1h24 s LEU 76 Ca 0.06 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1h24 s LEU 76 Cb -0.10 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 44.97 1h24 s LEU 76 CO 0.04 0.11 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.82 1h24 s TYR 77 N 0.70 3.10 -0.29 5.38 2.02 0.70 0.54 117.35 129.49 1h24 s TYR 77 Ca -0.05 -1.61 -0.12 0.00 -0.37 0.00 0.00 57.07 54.92 1h24 s TYR 77 Cb -0.15 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 1h24 s TYR 77 CO 0.02 -0.74 0.25 -0.51 -1.57 0.00 0.00 175.55 173.00 1h24 s LEU 78 N 1.31 4.12 -0.34 -1.29 1.43 -0.29 -0.10 118.68 123.52 1h24 s LEU 78 Ca -0.01 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1h24 s LEU 78 Cb -0.17 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 1h24 s LEU 78 CO -0.04 -0.13 0.28 -0.69 0.23 0.00 0.00 176.35 176.01 1h24 s VAL 79 N 1.85 5.24 0.26 -1.59 1.01 -0.20 -1.21 120.40 125.76 1h24 s VAL 79 Ca 0.09 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.08 1h24 s VAL 79 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1h24 s VAL 79 CO 0.11 -0.02 -0.02 -0.36 0.00 0.00 0.00 175.10 174.81 1h24 s PHE 80 N 1.84 2.68 0.62 5.22 0.40 0.44 0.46 117.98 129.63 1h24 s PHE 80 Ca 0.08 -0.22 -0.19 0.00 -0.60 0.00 0.00 56.93 56.00 1h24 s PHE 80 Cb -0.17 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 1h24 s PHE 80 CO 0.11 0.62 1.29 -1.83 0.70 0.00 0.00 175.22 176.10 1h24 s GLU 81 N -3.60 2.75 -0.02 0.44 -1.05 -0.49 -0.58 118.70 116.15 1h24 s GLU 81 Ca 0.31 2.04 -0.13 0.00 -0.15 0.00 0.00 54.97 57.04 1h24 s GLU 81 Cb -0.07 -1.94 -0.05 0.00 -0.44 0.00 0.00 34.13 31.63 1h24 s GLU 81 CO 0.19 -1.44 0.36 0.12 0.95 0.00 0.00 175.26 175.44 1h24 s PHE 82 N -1.42 3.70 -0.05 4.83 5.36 -1.25 -4.37 117.98 124.79 1h24 s PHE 82 Ca 0.80 0.90 0.01 0.00 -0.96 0.00 0.00 56.93 57.68 1h24 s PHE 82 Cb -0.37 -2.22 0.02 0.00 -0.34 0.00 0.00 43.02 40.12 1h24 s PHE 82 CO 0.40 0.66 -0.06 -0.51 -1.46 0.00 0.00 175.22 174.25 1h24 s LEU 83 N -1.07 1.40 0.29 6.12 1.43 -1.26 -4.98 118.68 120.60 1h24 s LEU 83 Ca 0.22 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1h24 s LEU 83 Cb -0.16 -0.52 0.42 0.00 0.03 0.00 0.00 46.19 45.96 1h24 s LEU 83 CO 0.12 -0.04 1.84 1.12 0.23 0.00 0.00 176.35 179.61 1h24 h HIS 84 N 7.13 0.84 -4.22 0.29 2.07 -1.92 -3.46 115.15 115.88 1h24 h HIS 84 Ca -0.37 -0.07 -0.37 0.00 -2.85 0.00 0.00 60.37 56.71 1h24 h HIS 84 Cb 1.16 -0.25 -0.14 0.00 2.57 0.00 0.00 27.41 30.75 1h24 h HIS 84 CO 0.50 0.70 -0.57 -1.14 -3.07 0.00 0.00 177.93 174.35 1h24 s GLN 85 N -5.22 1.49 0.32 5.12 0.74 -1.01 -5.02 119.66 116.09 1h24 s GLN 85 Ca -0.10 -1.84 0.09 0.00 0.05 0.00 0.00 55.36 53.57 1h24 s GLN 85 Cb 0.16 0.03 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 1h24 s GLN 85 CO 0.80 -0.44 -0.01 0.16 -0.55 0.00 0.00 175.29 175.25 1h24 s ASP 86 N -3.31 4.19 0.13 6.67 1.47 -1.26 -0.84 116.67 123.71 1h24 s ASP 86 Ca 0.37 -0.94 -0.13 0.00 1.18 0.00 0.00 52.55 53.04 1h24 s ASP 86 Cb 0.05 -0.56 -0.03 0.00 -0.34 0.00 0.00 42.92 42.05 1h24 s ASP 86 CO 0.17 -0.18 1.52 0.25 0.68 0.00 0.00 175.17 177.61 1h24 h LEU 87 N 1.86 0.85 -0.39 2.11 5.85 -0.11 -2.63 115.31 122.85 1h24 h LEU 87 Ca -0.43 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 57.98 1h24 h LEU 87 Cb 1.25 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 1h24 h LEU 87 CO 0.65 1.05 -0.19 0.50 -0.34 0.00 0.00 178.44 180.11 1h24 h LYS 88 N 0.64 -0.12 0.00 1.25 3.64 -1.79 0.99 116.57 121.18 1h24 h LYS 88 Ca 0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1h24 h LYS 88 Cb 0.72 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1h24 h LYS 88 CO 0.05 -0.08 0.00 -0.22 -2.27 0.00 0.00 179.45 176.94 1h24 h LYS 89 N -0.12 0.00 0.00 1.90 3.64 -1.86 -0.61 116.57 119.52 1h24 h LYS 89 Ca 0.19 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 1h24 h LYS 89 Cb 0.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1h24 h LYS 89 CO -0.46 0.00 -1.23 0.35 -2.27 0.00 0.00 179.45 175.84 1h24 h PHE 90 N 0.00 0.00 -0.00 1.91 3.57 -0.64 -3.31 116.94 118.47 1h24 h PHE 90 Ca 0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 1h24 h PHE 90 Cb 0.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1h24 h PHE 90 CO 0.00 0.50 -0.75 0.52 -2.23 0.00 0.00 178.31 176.35 1h24 h MET 91 N 0.00 0.01 0.00 1.11 2.86 0.54 -2.68 114.93 116.76 1h24 h MET 91 Ca -0.12 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1h24 h MET 91 Cb 1.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.15 1h24 h MET 91 CO 0.04 0.75 0.00 -0.25 1.06 0.00 0.00 176.91 178.52 1h24 n ASP 92 N -3.65 0.00 0.00 1.22 8.00 -0.44 -2.81 116.55 118.87 1h24 n ASP 92 Ca -0.01 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1h24 n ASP 92 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1h24 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h24 n ALA 93 N -0.96 2.24 -0.48 2.24 0.00 -1.14 -4.35 120.51 118.05 1h24 n ALA 93 Ca 0.20 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1h24 n ALA 93 Cb 0.09 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.84 1h24 n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1h24 n SER 94 N -0.26 4.08 -0.33 0.00 7.64 -1.02 -4.69 113.62 119.04 1h24 n SER 94 Ca 0.00 -2.25 0.13 0.00 1.01 0.00 0.00 58.87 57.75 1h24 n SER 94 Cb 0.01 -0.48 0.25 0.00 -1.01 0.00 0.00 64.21 62.98 1h24 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h24 n ALA 95 N 1.07 0.44 -1.27 -0.43 0.00 -1.19 0.27 120.51 119.40 1h24 n ALA 95 Ca 0.22 1.03 0.00 0.00 0.00 0.00 0.00 53.44 54.69 1h24 n ALA 95 Cb 0.71 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1h24 n ALA 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h24 n LEU 96 N -5.45 0.00 0.00 0.00 4.77 -1.26 -4.43 117.00 110.63 1h24 n LEU 96 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1h24 n LEU 96 Cb 0.69 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1h24 n LEU 96 CO -0.08 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.33 1h24 n THR 97 N 0.00 0.00 0.00 -5.08 -2.24 -1.20 -4.82 114.28 100.93 1h24 n THR 97 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1h24 n THR 97 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1h24 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h24 n GLY 98 N -0.60 0.17 3.72 3.38 0.00 0.78 -4.93 105.19 107.71 1h24 n GLY 98 Ca 0.00 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1h24 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h24 s ILE 99 N -1.97 5.21 0.29 -0.61 1.01 -1.26 -4.90 121.20 118.96 1h24 s ILE 99 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.23 1h24 s ILE 99 Cb 0.00 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.58 1h24 s ILE 99 CO 0.00 0.33 1.47 -2.84 0.00 0.00 0.00 174.94 173.90 1h24 s PRO 100 N 0.66 4.21 0.26 2.79 0.02 -1.26 -4.83 135.00 136.86 1h24 s PRO 100 Ca 0.24 2.41 -0.02 0.00 0.02 0.00 0.00 61.00 63.66 1h24 s PRO 100 Cb -0.15 -3.06 0.55 0.00 0.02 0.00 0.00 34.50 31.87 1h24 s PRO 100 CO 0.09 -0.47 1.70 1.25 -0.33 0.00 0.00 177.00 179.24 1h24 h LEU 101 N 4.45 0.16 -2.06 -5.54 7.12 -1.99 0.15 115.31 117.60 1h24 h LEU 101 Ca -0.47 0.14 0.04 0.00 0.13 0.00 0.00 57.88 57.72 1h24 h LEU 101 Cb 1.22 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.51 1h24 h LEU 101 CO 0.74 -0.00 0.11 -0.65 -0.13 0.00 0.00 178.44 178.51 1h24 h PRO 102 N 0.34 0.00 0.13 5.25 0.11 -1.98 0.48 132.00 136.33 1h24 h PRO 102 Ca 0.47 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.28 1h24 h PRO 102 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1h24 h PRO 102 CO -0.50 0.00 -1.39 1.25 -0.21 0.00 0.00 178.00 177.15 1h24 h LEU 103 N 0.00 0.43 -1.07 2.35 5.85 -1.07 -2.64 115.31 119.16 1h24 h LEU 103 Ca 0.07 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1h24 h LEU 103 Cb 0.29 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1h24 h LEU 103 CO -0.00 1.41 0.57 0.40 -0.34 0.00 0.00 178.44 180.49 1h24 h ILE 104 N 0.07 1.24 -0.09 4.05 2.04 -0.42 -0.41 117.51 124.00 1h24 h ILE 104 Ca -0.19 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 1h24 h ILE 104 Cb 2.00 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1h24 h ILE 104 CO 0.19 0.24 -0.09 0.50 0.00 0.00 0.00 178.15 178.99 1h24 h LYS 105 N 1.23 0.22 -0.05 2.37 3.64 -1.26 -0.56 116.57 122.16 1h24 h LYS 105 Ca 0.33 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1h24 h LYS 105 Cb -0.10 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1h24 h LYS 105 CO -0.07 0.65 -0.07 1.03 -2.27 0.00 0.00 179.45 178.72 1h24 h SER 106 N -0.21 -0.22 0.11 4.20 0.87 -1.34 -1.20 113.55 115.76 1h24 h SER 106 Ca 0.01 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1h24 h SER 106 Cb 0.61 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1h24 h SER 106 CO 0.02 -0.10 -0.05 1.88 -0.53 0.00 0.00 176.83 178.05 1h24 h TYR 107 N -0.10 -0.14 -0.83 2.24 0.05 -1.01 0.14 116.97 117.32 1h24 h TYR 107 Ca 0.05 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1h24 h TYR 107 Cb 0.17 0.05 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1h24 h TYR 107 CO -0.16 -0.06 0.44 1.25 -1.05 0.00 0.00 178.16 178.57 1h24 h LEU 108 N -0.18 1.06 -0.73 3.88 5.85 -1.07 0.14 115.31 124.26 1h24 h LEU 108 Ca -0.02 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1h24 h LEU 108 Cb 0.14 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1h24 h LEU 108 CO 0.03 0.87 0.24 0.15 -0.34 0.00 0.00 178.44 179.38 1h24 h PHE 109 N 1.17 1.16 -0.21 1.25 3.57 -0.94 -0.26 116.94 122.68 1h24 h PHE 109 Ca 0.29 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1h24 h PHE 109 Cb 0.06 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1h24 h PHE 109 CO 0.01 0.92 0.01 1.96 -2.23 0.00 0.00 178.31 178.97 1h24 h GLN 110 N 1.07 0.37 -0.78 1.11 4.20 0.24 -1.99 115.11 119.33 1h24 h GLN 110 Ca 0.24 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.90 1h24 h GLN 110 Cb 0.29 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 1h24 h GLN 110 CO -0.01 0.56 0.46 -0.07 -0.67 0.00 0.00 178.83 179.10 1h24 h LEU 111 N 0.14 0.70 -0.92 1.46 3.38 -0.56 -1.47 115.31 118.04 1h24 h LEU 111 Ca 0.06 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1h24 h LEU 111 Cb 0.38 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1h24 h LEU 111 CO 0.01 0.44 -0.26 -0.07 0.09 0.00 0.00 178.44 178.65 1h24 h LEU 112 N 0.83 0.49 -0.49 1.67 3.38 -0.83 0.37 115.31 120.73 1h24 h LEU 112 Ca 0.35 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1h24 h LEU 112 Cb 0.22 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1h24 h LEU 112 CO -0.19 0.74 0.16 1.56 0.09 0.00 0.00 178.44 180.80 1h24 h GLN 113 N 0.43 0.31 -0.30 1.13 4.20 -0.52 0.21 115.11 120.58 1h24 h GLN 113 Ca 0.06 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1h24 h GLN 113 Cb 0.68 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1h24 h GLN 113 CO 0.05 0.21 -0.08 0.78 -0.67 0.00 0.00 178.83 179.12 1h24 h GLY 114 N 0.32 0.63 1.04 3.46 0.00 -0.98 -1.31 103.07 106.23 1h24 h GLY 114 Ca 0.24 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1h24 h GLY 114 CO -0.26 0.48 -0.01 -2.00 0.00 0.00 0.00 176.54 174.75 1h24 h LEU 115 N 0.35 0.93 -0.89 3.11 5.85 -0.81 -1.41 115.31 122.44 1h24 h LEU 115 Ca 0.08 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1h24 h LEU 115 Cb 0.57 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1h24 h LEU 115 CO 0.03 1.02 0.50 0.00 -0.34 0.00 0.00 178.44 179.64 1h24 h ALA 116 N 0.95 1.14 -0.49 1.25 0.00 -0.43 -0.70 119.26 120.98 1h24 h ALA 116 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h24 h ALA 116 Cb 0.54 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1h24 h ALA 116 CO 0.03 0.64 0.32 0.35 0.00 0.00 0.00 179.25 180.59 1h24 h PHE 117 N 1.24 0.62 -0.03 0.00 3.57 -0.95 -0.52 116.94 120.87 1h24 h PHE 117 Ca 0.32 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1h24 h PHE 117 Cb 0.01 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 1h24 h PHE 117 CO 0.01 0.40 0.02 0.00 -2.23 0.00 0.00 178.31 176.51 1h24 h HIS 119 N 0.02 0.78 0.00 0.00 3.86 -1.07 0.55 115.15 119.29 1h24 h HIS 119 Ca 0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1h24 h HIS 119 Cb 0.02 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1h24 h HIS 119 CO -0.07 0.50 0.00 0.77 0.86 0.00 0.00 177.93 179.99 1h24 h SER 120 N 0.84 0.00 -0.49 2.45 0.02 -0.63 -2.81 113.55 112.93 1h24 h SER 120 Ca 0.23 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.96 1h24 h SER 120 Cb -0.09 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.32 1h24 h SER 120 CO -0.05 0.00 0.10 1.41 -1.14 0.00 0.00 176.83 177.15 1h24 n HIS 121 N -2.92 1.55 -3.92 3.45 8.25 -0.42 -4.94 115.22 116.29 1h24 n HIS 121 Ca 0.00 -1.50 -0.28 0.00 -0.26 0.00 0.00 57.72 55.68 1h24 n HIS 121 Cb 0.24 -0.57 0.01 0.00 1.12 0.00 0.00 29.99 30.80 1h24 n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1h24 n ARG 122 N -0.95 -4.62 -4.53 -0.41 -4.01 -1.03 -4.94 116.66 96.17 1h24 n ARG 122 Ca 0.37 0.53 -0.29 0.00 -1.04 0.00 0.00 57.85 57.43 1h24 n ARG 122 Cb 1.16 -5.19 -0.17 0.00 -3.04 0.00 0.00 32.46 25.23 1h24 n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1h24 s VAL 123 N -3.50 1.56 -0.15 8.89 1.01 0.05 -1.06 120.40 127.19 1h24 s VAL 123 Ca 0.40 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1h24 s VAL 123 Cb -0.21 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1h24 s VAL 123 CO 0.85 0.45 0.17 -0.76 0.00 0.00 0.00 175.10 175.81 1h24 s LEU 124 N 0.91 4.30 -0.06 3.92 1.43 -0.73 -3.57 118.68 124.88 1h24 s LEU 124 Ca -0.08 0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 53.19 1h24 s LEU 124 Cb -0.15 -2.14 -0.29 0.00 0.03 0.00 0.00 46.19 43.64 1h24 s LEU 124 CO -0.01 0.28 0.91 -0.74 0.23 0.00 0.00 176.35 177.02 1h24 h HIS 125 N 5.86 0.45 -0.37 0.29 -0.00 -1.90 -1.34 115.15 118.13 1h24 h HIS 125 Ca -0.47 -0.31 -0.16 0.00 -0.00 0.00 0.00 60.37 59.42 1h24 h HIS 125 Cb 1.19 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 28.51 1h24 h HIS 125 CO 0.66 1.22 -0.15 0.54 -0.00 0.00 0.00 177.93 180.21 1h24 n ARG 126 N -4.24 -1.12 -2.54 5.26 1.74 -1.26 -3.50 116.66 111.00 1h24 n ARG 126 Ca -0.13 0.70 -0.02 0.00 -0.77 0.00 0.00 57.85 57.64 1h24 n ARG 126 Cb 0.73 -4.75 0.12 0.00 -1.02 0.00 0.00 32.46 27.54 1h24 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1h24 n ASP 127 N -0.43 -1.30 -4.67 0.55 -0.08 -1.26 -3.21 116.55 106.16 1h24 n ASP 127 Ca -0.08 -2.08 -0.42 0.00 -1.51 0.00 0.00 54.79 50.70 1h24 n ASP 127 Cb 0.40 0.61 -0.03 0.00 2.34 0.00 0.00 41.12 44.45 1h24 n ASP 127 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1h24 s LEU 128 N -3.65 4.32 0.11 -2.67 1.43 -1.26 -4.81 118.68 112.14 1h24 s LEU 128 Ca 0.08 2.21 -0.25 0.00 -1.03 0.00 0.00 54.13 55.14 1h24 s LEU 128 Cb 0.40 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 43.15 1h24 s LEU 128 CO -0.11 -0.87 0.64 -1.59 0.23 0.00 0.00 176.35 174.64 1h24 s LYS 129 N 3.52 1.20 0.60 1.70 -2.85 -1.26 -4.80 119.74 117.85 1h24 s LYS 129 Ca 0.70 -0.31 0.30 0.00 -1.00 0.00 0.00 55.97 55.66 1h24 s LYS 129 Cb -0.33 0.55 1.68 0.00 -2.06 0.00 0.00 37.83 37.67 1h24 s LYS 129 CO 0.28 -0.50 2.06 -1.35 0.10 0.00 0.00 175.35 175.94 1h24 h PRO 130 N 2.20 0.00 0.00 1.78 0.11 -1.94 1.02 132.00 135.16 1h24 h PRO 130 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1h24 h PRO 130 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1h24 h PRO 130 CO 0.38 0.00 -0.03 1.96 -0.21 0.00 0.00 178.00 180.10 1h24 h GLN 131 N 0.00 0.00 -0.47 1.05 7.50 -1.94 -2.57 115.11 118.68 1h24 h GLN 131 Ca 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.21 1h24 h GLN 131 Cb 0.60 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.11 1h24 h GLN 131 CO -0.00 0.03 0.03 0.09 -1.50 0.00 0.00 178.83 177.48 1h24 n ASN 132 N -3.13 4.83 -4.12 1.46 3.02 0.35 -4.79 115.26 112.88 1h24 n ASN 132 Ca 0.01 -3.03 -0.33 0.00 -0.03 0.00 0.00 54.58 51.20 1h24 n ASN 132 Cb 0.35 -0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 38.74 1h24 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h24 s LEU 133 N -2.84 3.37 0.03 3.41 1.43 -1.01 -1.65 118.68 121.41 1h24 s LEU 133 Ca 0.50 -1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 1h24 s LEU 133 Cb 0.39 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1h24 s LEU 133 CO 0.12 -0.18 0.24 -0.76 0.23 0.00 0.00 176.35 176.01 1h24 s LEU 134 N 1.19 4.36 0.02 1.79 1.43 -0.66 -0.08 118.68 126.73 1h24 s LEU 134 Ca -0.05 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 1h24 s LEU 134 Cb -0.19 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1h24 s LEU 134 CO -0.05 0.22 -0.14 0.27 0.23 0.00 0.00 176.35 176.88 1h24 s ILE 135 N -1.39 1.08 0.24 -0.59 -4.36 -0.02 0.69 121.20 116.85 1h24 s ILE 135 Ca 0.30 -0.86 0.03 0.00 -0.26 0.00 0.00 60.65 59.85 1h24 s ILE 135 Cb -0.13 -0.96 0.03 0.00 1.25 0.00 0.00 42.46 42.65 1h24 s ILE 135 CO 0.20 0.09 0.21 -0.46 0.24 0.00 0.00 174.94 175.22 1h24 n ASN 136 N 2.16 1.59 -0.05 4.36 0.23 -0.82 -2.41 115.26 120.32 1h24 n ASN 136 Ca -0.17 -1.78 0.15 0.00 -0.53 0.00 0.00 54.58 52.25 1h24 n ASN 136 Cb 0.55 -0.05 0.78 0.00 -2.08 0.00 0.00 39.78 38.98 1h24 n ASN 136 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1h24 n THR 137 N -1.15 0.00 1.04 5.53 -2.24 -1.26 -3.69 114.28 112.52 1h24 n THR 137 Ca 0.01 -0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1h24 n THR 137 Cb 0.27 -0.36 0.11 0.00 -2.10 0.00 0.00 70.33 68.25 1h24 n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h24 n GLU 138 N -1.04 0.36 0.00 -0.78 -0.58 -1.26 -4.92 120.64 112.41 1h24 n GLU 138 Ca 0.18 -0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1h24 n GLU 138 Cb 0.21 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1h24 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h24 n GLY 139 N 1.46 0.99 3.86 0.62 0.00 -1.24 -4.51 105.19 106.37 1h24 n GLY 139 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1h24 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h24 s ALA 140 N -2.00 3.51 0.04 4.61 0.00 -1.26 -4.79 121.76 121.86 1h24 s ALA 140 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.85 1h24 s ALA 140 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1h24 s ALA 140 CO 0.00 0.46 -0.17 -1.50 0.00 0.00 0.00 175.76 174.54 1h24 s ILE 141 N -1.79 1.38 0.00 0.00 2.07 -1.26 -1.94 121.20 119.67 1h24 s ILE 141 Ca 0.47 -1.06 0.01 0.00 -1.41 0.00 0.00 60.65 58.66 1h24 s ILE 141 Cb -0.12 -1.21 -0.00 0.00 0.13 0.00 0.00 42.46 41.25 1h24 s ILE 141 CO 0.20 0.13 -0.03 -0.54 -1.91 0.00 0.00 174.94 172.78 1h24 s LYS 142 N -1.09 0.26 0.43 3.50 1.02 0.22 -4.68 119.74 119.39 1h24 s LYS 142 Ca 0.05 -0.18 -0.24 0.00 0.02 0.00 0.00 55.97 55.61 1h24 s LYS 142 Cb -0.08 -0.21 -0.08 0.00 -0.52 0.00 0.00 37.83 36.94 1h24 s LYS 142 CO 0.01 0.05 1.22 -0.51 -0.92 0.00 0.00 175.35 175.21 1h24 s LEU 143 N -0.26 4.12 0.32 3.17 1.43 -0.16 -1.65 118.68 125.66 1h24 s LEU 143 Ca -0.01 2.46 -0.05 0.00 -1.03 0.00 0.00 54.13 55.50 1h24 s LEU 143 Cb -0.02 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1h24 s LEU 143 CO -0.00 -0.88 0.47 0.00 0.23 0.00 0.00 176.35 176.18 1h24 s ALA 144 N -1.39 0.49 -0.39 4.21 0.00 -0.66 -1.60 121.76 122.41 1h24 s ALA 144 Ca 0.60 -1.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 1h24 s ALA 144 Cb -0.33 1.12 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1h24 s ALA 144 CO 0.41 -0.80 0.44 -3.47 0.00 0.00 0.00 175.76 172.34 1h24 n ASP 145 N -1.12 -7.83 -1.91 0.00 -0.08 -1.26 -4.83 116.55 99.51 1h24 n ASP 145 Ca -0.00 0.73 -0.00 0.00 -1.51 0.00 0.00 54.79 54.00 1h24 n ASP 145 Cb 0.62 -5.12 0.34 0.00 2.34 0.00 0.00 41.12 39.29 1h24 n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1h24 n PHE 146 N -0.01 2.22 -0.34 -0.67 3.01 -1.26 -4.47 117.46 115.94 1h24 n PHE 146 Ca 0.08 -0.95 0.01 0.00 1.01 0.00 0.00 57.45 57.59 1h24 n PHE 146 Cb 0.36 -0.60 0.14 0.00 -0.01 0.00 0.00 39.48 39.37 1h24 n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1h24 h GLY 147 N 3.38 1.39 -2.25 1.37 0.00 -1.92 -1.56 103.07 103.48 1h24 h GLY 147 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1h24 h GLY 147 CO 0.61 0.34 0.00 1.04 0.00 0.00 0.00 176.54 178.54 1h24 n LEU 148 N -4.53 3.36 -4.85 3.11 4.77 -1.26 -4.69 117.00 112.92 1h24 n LEU 148 Ca 0.13 -1.69 -0.31 0.00 -0.03 0.00 0.00 56.01 54.11 1h24 n LEU 148 Cb 0.14 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1h24 n LEU 148 CO 0.33 0.67 0.72 0.00 -1.33 0.00 0.00 177.39 177.78 1h24 s ALA 149 N -1.57 2.76 -0.08 -1.18 0.00 -0.59 -4.60 121.76 116.50 1h24 s ALA 149 Ca 0.37 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 1h24 s ALA 149 Cb 0.22 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 20.28 1h24 s ALA 149 CO 0.21 -1.16 0.45 -0.98 0.00 0.00 0.00 175.76 174.28 1h24 s ARG 150 N -5.18 0.71 -0.26 0.00 1.04 -0.50 -4.91 118.95 109.84 1h24 s ARG 150 Ca 0.58 0.22 -0.29 0.00 -1.04 0.00 0.00 55.73 55.19 1h24 s ARG 150 Cb -0.13 0.33 -0.00 0.00 -2.04 0.00 0.00 34.95 33.11 1h24 s ARG 150 CO 0.54 -0.17 1.29 0.00 -0.04 0.00 0.00 175.30 176.92 1h24 s ALA 151 N -0.72 3.44 0.18 7.88 0.00 -1.26 -1.77 121.76 129.51 1h24 s ALA 151 Ca -0.08 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1h24 s ALA 151 Cb -0.03 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 1h24 s ALA 151 CO 0.04 -1.62 0.31 -0.59 0.00 0.00 0.00 175.76 173.91 1h24 s PHE 152 N 4.16 3.47 0.38 0.00 -0.71 -0.23 -5.00 117.98 120.05 1h24 s PHE 152 Ca 0.56 0.08 0.07 0.00 -1.04 0.00 0.00 56.93 56.60 1h24 s PHE 152 Cb -0.18 -1.64 -0.01 0.00 -1.21 0.00 0.00 43.02 39.98 1h24 s PHE 152 CO 0.21 0.48 0.47 0.20 -1.34 0.00 0.00 175.22 175.25 1h24 s GLY 153 N -3.49 1.83 -0.23 1.99 0.00 -1.26 -4.84 107.32 101.31 1h24 s GLY 153 Ca 0.34 -1.62 0.02 0.00 0.00 0.00 0.00 44.72 43.46 1h24 s GLY 153 CO 0.29 -1.49 -0.09 0.14 0.00 0.00 0.00 173.10 171.95 1h24 s VAL 154 N -2.30 1.81 0.84 1.40 1.01 -1.26 -0.72 120.40 121.19 1h24 s VAL 154 Ca 0.49 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1h24 s VAL 154 Cb -0.08 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.43 1h24 s VAL 154 CO 0.31 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.35 1h24 s PRO 155 N 1.28 1.69 0.78 2.72 0.05 -1.26 -5.12 135.00 135.15 1h24 s PRO 155 Ca -0.06 0.87 -0.11 0.00 0.05 0.00 0.00 61.00 61.75 1h24 s PRO 155 Cb -0.19 -1.86 0.06 0.00 0.05 0.00 0.00 34.50 32.57 1h24 s PRO 155 CO -0.06 -1.95 1.09 0.14 0.05 0.00 0.00 177.00 176.27 1h24 s VAL 156 N -2.97 3.29 0.17 -0.36 -7.23 0.10 -5.08 120.40 108.31 1h24 s VAL 156 Ca 0.62 0.42 0.01 0.00 -1.81 0.00 0.00 61.98 61.22 1h24 s VAL 156 Cb -0.17 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.86 1h24 s VAL 156 CO 0.56 -0.55 0.08 -2.11 -0.31 0.00 0.00 175.10 172.77 1h24 n ARG 157 N -3.54 1.38 -1.82 4.82 1.85 -1.26 -5.00 116.66 113.09 1h24 n ARG 157 Ca 0.09 -1.11 -0.42 0.00 -1.00 0.00 0.00 57.85 55.41 1h24 n ARG 157 Cb 0.53 0.19 -0.03 0.00 -1.05 0.00 0.00 32.46 32.10 1h24 n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1h24 s THR 158 N -1.12 3.27 0.00 8.89 2.01 -1.24 -4.65 115.64 122.80 1h24 s THR 158 Ca 0.06 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1h24 s THR 158 Cb -0.00 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1h24 s THR 158 CO 0.04 -0.05 0.00 -1.22 -0.69 0.00 0.00 174.62 172.70 1h24 n TYR 159 N 7.93 0.00 0.00 4.92 4.01 -1.26 -5.08 117.16 127.68 1h24 n TYR 159 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 1h24 n TYR 159 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1h24 n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1h24 n HIS 161 N -0.27 0.00 -0.18 -0.72 -0.00 -1.26 -5.04 115.22 107.76 1h24 n HIS 161 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 1h24 n HIS 161 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1h24 n HIS 161 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1h24 n GLU 162 N -1.26 0.15 -4.40 1.57 4.71 -1.26 -4.80 120.64 115.36 1h24 n GLU 162 Ca 0.00 -0.69 -0.22 0.00 -0.01 0.00 0.00 57.16 56.24 1h24 n GLU 162 Cb 0.04 -2.15 -0.16 0.00 -1.01 0.00 0.00 31.44 28.16 1h24 n GLU 162 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1h24 s VAL 163 N 5.34 0.83 0.00 2.62 1.01 -1.26 -5.04 120.40 123.91 1h24 s VAL 163 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1h24 s VAL 163 Cb 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1h24 s VAL 163 CO 0.08 0.28 0.00 0.52 0.00 0.00 0.00 175.10 175.97 1h24 n VAL 164 N 3.65 -0.95 -1.68 2.92 0.31 -1.20 -4.85 118.33 116.54 1h24 n VAL 164 Ca -0.22 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.66 1h24 n VAL 164 Cb 0.52 -0.90 -0.04 0.00 -0.91 0.00 0.00 33.84 32.51 1h24 n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1h24 n THR 165 N -0.37 0.36 -0.26 2.52 -1.04 -1.26 -4.63 114.28 109.60 1h24 n THR 165 Ca 0.00 -0.07 0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1h24 n THR 165 Cb 0.00 -1.87 0.08 0.00 -1.82 0.00 0.00 70.33 66.72 1h24 n THR 165 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1h24 n LEU 166 N 5.47 -0.31 0.31 -4.42 7.94 -1.26 0.10 117.00 124.84 1h24 n LEU 166 Ca 0.20 1.23 0.19 0.00 -1.11 0.00 0.00 56.01 56.52 1h24 n LEU 166 Cb 0.32 -0.35 1.07 0.00 0.53 0.00 0.00 43.42 44.99 1h24 n LEU 166 CO 0.68 -1.16 1.16 -0.50 -1.11 0.00 0.00 177.39 176.46 1h24 h TRP 167 N 0.00 0.00 -0.14 1.96 4.06 -1.87 -1.63 115.95 118.33 1h24 h TRP 167 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 1h24 h TRP 167 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1h24 h TRP 167 CO -0.57 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 174.97 1h24 n TYR 168 N -3.37 0.18 -2.46 0.49 4.01 0.12 -4.62 117.16 111.50 1h24 n TYR 168 Ca -0.03 -0.21 -0.41 0.00 -0.16 0.00 0.00 57.90 57.09 1h24 n TYR 168 Cb 0.12 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.10 1h24 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1h24 s ARG 169 N -0.91 4.59 0.41 -0.72 3.52 -0.61 -3.88 118.95 121.35 1h24 s ARG 169 Ca 0.16 1.80 -0.14 0.00 -0.13 0.00 0.00 55.73 57.42 1h24 s ARG 169 Cb 0.09 -3.22 -0.08 0.00 -1.56 0.00 0.00 34.95 30.18 1h24 s ARG 169 CO 0.13 0.10 0.82 0.00 -0.81 0.00 0.00 175.30 175.55 1h24 s ALA 170 N -0.66 3.25 0.21 6.12 0.00 -1.26 -4.89 121.76 124.54 1h24 s ALA 170 Ca 0.48 -0.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 1h24 s ALA 170 Cb -0.31 -2.85 0.28 0.00 0.00 0.00 0.00 23.12 20.23 1h24 s ALA 170 CO 0.39 0.04 1.65 -1.35 0.00 0.00 0.00 175.76 176.49 1h24 h PRO 171 N 1.50 0.07 0.00 0.00 0.11 -1.95 0.28 132.00 132.01 1h24 h PRO 171 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1h24 h PRO 171 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1h24 h PRO 171 CO 0.63 0.05 0.00 1.05 -0.21 0.00 0.00 178.00 179.52 1h24 h GLU 172 N 0.07 0.00 0.08 1.05 9.09 -1.94 0.24 114.58 123.18 1h24 h GLU 172 Ca 0.31 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.39 1h24 h GLU 172 Cb 0.51 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.58 1h24 h GLU 172 CO -0.56 0.00 -1.87 -0.89 0.05 0.00 0.00 179.01 175.74 1h24 n ILE 173 N -2.99 1.70 -0.19 -1.06 5.41 0.70 -1.79 119.36 121.14 1h24 n ILE 173 Ca -0.01 -0.49 0.24 0.00 1.00 0.00 0.00 62.75 63.49 1h24 n ILE 173 Cb 0.21 -1.79 0.63 0.00 -0.71 0.00 0.00 39.64 37.98 1h24 n ILE 173 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1h24 h LEU 174 N -0.23 0.17 -2.07 1.39 3.38 -0.12 -1.84 115.31 115.99 1h24 h LEU 174 Ca -0.43 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1h24 h LEU 174 Cb 1.84 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1h24 h LEU 174 CO -0.01 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.77 1h24 n LEU 175 N -4.38 3.06 -0.15 1.67 4.77 0.80 -4.91 117.00 117.85 1h24 n LEU 175 Ca 0.18 -1.54 -0.02 0.00 -0.03 0.00 0.00 56.01 54.60 1h24 n LEU 175 Cb 0.81 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1h24 n LEU 175 CO 0.35 0.67 -0.02 0.61 -1.33 0.00 0.00 177.39 177.67 1h24 n GLY 176 N 1.19 0.54 3.48 -0.72 0.00 -0.69 -1.97 105.19 107.03 1h24 n GLY 176 Ca 0.18 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1h24 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h24 n LYS 178 N 0.03 0.02 -4.05 0.00 2.85 -1.26 -4.74 118.16 111.01 1h24 n LYS 178 Ca 0.11 0.01 -0.23 0.00 -1.05 0.00 0.00 58.31 57.15 1h24 n LYS 178 Cb 0.46 -1.51 -0.17 0.00 -0.65 0.00 0.00 35.03 33.15 1h24 n LYS 178 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1h24 s TYR 179 N -3.01 0.94 0.33 5.58 2.02 -1.26 -3.67 117.35 118.28 1h24 s TYR 179 Ca 0.11 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 56.51 1h24 s TYR 179 Cb 0.17 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 1h24 s TYR 179 CO 0.69 -0.30 0.16 1.52 -1.57 0.00 0.00 175.55 176.05 1h24 s TYR 180 N 1.34 1.66 0.00 2.71 -0.85 -1.26 -5.03 117.35 115.92 1h24 s TYR 180 Ca -0.04 -1.37 0.00 0.00 -0.52 0.00 0.00 57.07 55.15 1h24 s TYR 180 Cb -0.14 -0.91 0.00 0.00 0.38 0.00 0.00 41.96 41.29 1h24 s TYR 180 CO -0.03 -0.49 0.00 0.45 -1.52 0.00 0.00 175.55 173.96 1h24 n SER 181 N -1.04 1.37 0.07 -0.18 2.88 -1.26 -4.87 113.62 110.58 1h24 n SER 181 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1h24 n SER 181 Cb 0.65 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.97 1h24 n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1h24 h THR 182 N 0.00 1.46 -0.37 2.46 1.35 -1.99 -3.27 112.91 112.55 1h24 h THR 182 Ca 0.00 -3.13 0.11 0.00 -0.55 0.00 0.00 66.41 62.84 1h24 h THR 182 Cb 0.00 2.83 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 1h24 h THR 182 CO 0.00 0.88 0.32 0.00 -0.25 0.00 0.00 175.52 176.47 1h24 h ALA 183 N 0.76 2.19 0.00 6.62 0.00 -1.92 -0.88 119.26 126.04 1h24 h ALA 183 Ca -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1h24 h ALA 183 Cb 1.91 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1h24 h ALA 183 CO 0.16 -0.51 -0.21 -0.39 0.00 0.00 0.00 179.25 178.30 1h24 h VAL 184 N 0.00 0.95 -0.10 0.00 -1.51 -1.98 -2.27 116.25 111.34 1h24 h VAL 184 Ca 0.18 -0.78 -0.16 0.00 -1.23 0.00 0.00 66.70 64.71 1h24 h VAL 184 Cb 0.81 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1h24 h VAL 184 CO -0.00 0.21 -0.62 0.44 -1.23 0.00 0.00 177.57 176.37 1h24 h ASP 185 N 0.00 0.40 -0.14 4.19 3.32 -1.38 -2.65 116.42 120.16 1h24 h ASP 185 Ca -0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1h24 h ASP 185 Cb 0.43 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1h24 h ASP 185 CO 0.03 0.92 0.02 0.40 -1.72 0.00 0.00 179.24 178.89 1h24 h ILE 186 N 0.26 1.23 -0.70 0.35 1.08 -1.47 -1.95 117.51 116.30 1h24 h ILE 186 Ca -0.01 -0.72 0.15 0.00 -0.39 0.00 0.00 64.86 63.89 1h24 h ILE 186 Cb 1.15 1.44 -0.13 0.00 -3.07 0.00 0.00 36.82 36.21 1h24 h ILE 186 CO 0.10 0.21 -0.09 -0.25 -0.69 0.00 0.00 178.15 177.43 1h24 h TRP 187 N -0.00 -0.22 -0.38 1.37 2.91 -1.39 0.38 115.95 118.61 1h24 h TRP 187 Ca 0.04 0.06 -0.00 0.00 1.13 0.00 0.00 58.89 60.12 1h24 h TRP 187 Cb 0.31 0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.15 1h24 h TRP 187 CO 0.02 -0.27 0.23 0.77 -1.03 0.00 0.00 178.44 178.16 1h24 h SER 188 N 0.04 0.46 -0.81 2.65 0.02 -1.10 0.41 113.55 115.23 1h24 h SER 188 Ca 0.36 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1h24 h SER 188 Cb 0.59 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1h24 h SER 188 CO -0.68 0.39 0.45 -0.07 -1.14 0.00 0.00 176.83 175.78 1h24 h LEU 189 N 0.50 1.01 -0.64 5.07 3.38 -0.59 -0.93 115.31 123.11 1h24 h LEU 189 Ca 0.14 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1h24 h LEU 189 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1h24 h LEU 189 CO -0.02 0.81 0.42 1.23 0.09 0.00 0.00 178.44 180.97 1h24 h GLY 190 N 1.13 0.90 1.59 0.83 0.00 0.46 -0.53 103.07 107.45 1h24 h GLY 190 Ca 0.29 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.31 1h24 h GLY 190 CO -0.05 0.32 0.23 0.00 0.00 0.00 0.00 176.54 177.04 1h24 h ILE 192 N 0.37 1.41 -0.18 0.00 2.04 -0.70 -2.54 117.51 117.91 1h24 h ILE 192 Ca 0.13 -2.53 -0.01 0.00 1.00 0.00 0.00 64.86 63.46 1h24 h ILE 192 Cb 0.08 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1h24 h ILE 192 CO -0.03 0.75 0.08 0.15 0.00 0.00 0.00 178.15 179.10 1h24 h PHE 193 N 0.21 0.27 0.05 1.37 3.57 -0.52 0.18 116.94 122.06 1h24 h PHE 193 Ca -0.09 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.42 1h24 h PHE 193 Cb 1.65 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 40.25 1h24 h PHE 193 CO 0.06 0.30 -0.41 0.00 -2.23 0.00 0.00 178.31 176.04 1h24 h ALA 194 N 0.94 -0.68 -0.21 2.41 0.00 -1.32 -2.54 119.26 117.85 1h24 h ALA 194 Ca 0.06 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1h24 h ALA 194 Cb 0.14 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1h24 h ALA 194 CO -0.01 -0.95 -0.18 1.49 0.00 0.00 0.00 179.25 179.60 1h24 h GLU 195 N -0.60 -0.18 -0.84 0.00 4.81 -1.21 0.28 114.58 116.84 1h24 h GLU 195 Ca 0.04 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.49 1h24 h GLU 195 Cb 0.65 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1h24 h GLU 195 CO -0.28 -0.12 0.58 0.52 -0.73 0.00 0.00 179.01 178.98 1h24 h MET 196 N -0.18 0.20 0.17 1.92 2.86 -0.47 0.97 114.93 120.39 1h24 h MET 196 Ca 0.12 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1h24 h MET 196 Cb 0.37 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1h24 h MET 196 CO -0.32 0.13 -0.08 0.28 1.06 0.00 0.00 176.91 177.98 1h24 h VAL 197 N 0.20 0.18 0.00 -2.22 2.07 -0.10 -3.35 116.25 113.03 1h24 h VAL 197 Ca 0.42 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1h24 h VAL 197 Cb 1.33 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1h24 h VAL 197 CO -0.09 0.05 0.00 0.35 0.02 0.00 0.00 177.57 177.90 1h24 n THR 198 N -4.92 0.01 -0.57 2.57 -2.24 -0.30 -4.84 114.28 103.98 1h24 n THR 198 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1h24 n THR 198 Cb 0.13 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1h24 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h24 n ARG 199 N -1.45 0.00 -4.42 -0.78 1.74 0.33 -4.96 116.66 107.12 1h24 n ARG 199 Ca 0.09 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.91 1h24 n ARG 199 Cb 0.32 -4.08 -0.11 0.00 -1.02 0.00 0.00 32.46 27.57 1h24 n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1h24 s ARG 200 N -0.76 1.52 0.67 5.56 3.03 -1.25 -4.96 118.95 122.76 1h24 s ARG 200 Ca 0.00 -1.57 -0.17 0.00 2.03 0.00 0.00 55.73 56.01 1h24 s ARG 200 Cb 0.00 -1.75 0.00 0.00 -1.03 0.00 0.00 34.95 32.17 1h24 s ARG 200 CO 0.00 0.36 1.28 0.00 -1.13 0.00 0.00 175.30 175.81 1h24 s ALA 201 N -1.95 2.31 -0.02 7.88 0.00 -1.26 -4.15 121.76 124.58 1h24 s ALA 201 Ca 0.22 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.39 1h24 s ALA 201 Cb -0.07 -3.54 -0.25 0.00 0.00 0.00 0.00 23.12 19.26 1h24 s ALA 201 CO 0.11 -1.69 0.77 1.25 0.00 0.00 0.00 175.76 176.20 1h24 h LEU 202 N 0.36 0.18 -6.13 0.00 5.85 -1.92 -3.42 115.31 110.23 1h24 h LEU 202 Ca -0.50 -0.31 -0.57 0.00 0.84 0.00 0.00 57.88 57.34 1h24 h LEU 202 Cb 1.33 -0.06 -0.39 0.00 0.37 0.00 0.00 40.66 41.91 1h24 h LEU 202 CO 0.52 1.27 -1.06 0.49 -0.34 0.00 0.00 178.44 179.32 1h24 n PHE 203 N -3.28 -0.51 -2.18 1.25 3.72 -1.26 -4.99 117.46 110.21 1h24 n PHE 203 Ca -0.17 -3.48 -0.42 0.00 -0.05 0.00 0.00 57.45 53.33 1h24 n PHE 203 Cb 1.03 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 1h24 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1h24 n PRO 204 N 1.89 3.53 -2.19 -1.08 -0.04 -1.26 -4.57 135.00 131.27 1h24 n PRO 204 Ca 0.24 -3.32 -0.26 0.00 -0.04 0.00 0.00 63.50 60.12 1h24 n PRO 204 Cb 0.51 -2.98 0.07 0.00 -0.04 0.00 0.00 33.50 31.06 1h24 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1h24 s GLY 205 N 1.28 1.67 -0.00 0.55 0.00 -1.26 -5.03 107.32 104.53 1h24 s GLY 205 Ca 0.42 -0.87 0.05 0.00 0.00 0.00 0.00 44.72 44.32 1h24 s GLY 205 CO -0.02 -0.47 0.13 2.09 0.00 0.00 0.00 173.10 174.83 1h24 n ASP 206 N -2.91 2.92 -4.11 1.64 5.68 -1.26 -4.79 116.55 113.72 1h24 n ASP 206 Ca 0.08 -0.16 -0.15 0.00 -0.50 0.00 0.00 54.79 54.05 1h24 n ASP 206 Cb 0.60 1.16 -0.10 0.00 -1.14 0.00 0.00 41.12 41.64 1h24 n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1h24 s SER 207 N -2.24 0.88 0.00 -1.12 1.04 -1.26 -5.00 113.70 106.00 1h24 s SER 207 Ca -0.01 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1h24 s SER 207 Cb 0.03 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1h24 s SER 207 CO 0.19 -0.84 0.71 -0.62 0.98 0.00 0.00 173.24 173.66 1h24 n GLU 208 N -0.43 0.00 -0.36 4.02 1.02 -1.26 0.37 120.64 124.00 1h24 n GLU 208 Ca 0.02 0.41 0.30 0.00 -0.02 0.00 0.00 57.16 57.86 1h24 n GLU 208 Cb 0.65 -1.21 0.56 0.00 -0.02 0.00 0.00 31.44 31.42 1h24 n GLU 208 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1h24 h ILE 209 N 0.00 0.18 -0.67 -3.67 6.09 -1.98 0.98 117.51 118.44 1h24 h ILE 209 Ca 0.00 -0.06 -0.01 0.00 -1.37 0.00 0.00 64.86 63.42 1h24 h ILE 209 Cb 0.00 -0.01 -0.03 0.00 0.47 0.00 0.00 36.82 37.25 1h24 h ILE 209 CO 0.00 0.03 0.38 -0.78 -3.07 0.00 0.00 178.15 174.71 1h24 h ASP 210 N 0.17 0.83 -0.25 2.19 3.58 -1.83 -2.55 116.42 118.58 1h24 h ASP 210 Ca 0.78 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 58.15 1h24 h ASP 210 Cb 2.07 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.90 1h24 h ASP 210 CO -0.59 0.68 0.16 -0.61 -2.88 0.00 0.00 179.24 176.00 1h24 h GLN 211 N 0.92 0.33 -0.15 0.28 5.75 0.58 -2.59 115.11 120.23 1h24 h GLN 211 Ca 0.24 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.76 1h24 h GLN 211 Cb 0.02 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 1h24 h GLN 211 CO -0.04 0.23 -0.31 -0.07 -2.65 0.00 0.00 178.83 175.99 1h24 h LEU 212 N 0.33 -0.97 -1.03 -2.39 3.38 -1.11 -1.27 115.31 112.24 1h24 h LEU 212 Ca 0.09 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1h24 h LEU 212 Cb -0.02 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1h24 h LEU 212 CO -0.02 -0.35 0.56 -0.26 0.09 0.00 0.00 178.44 178.46 1h24 h PHE 213 N -0.37 1.17 0.17 1.13 -1.00 -1.45 1.68 116.94 118.27 1h24 h PHE 213 Ca 0.10 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 1h24 h PHE 213 Cb 0.53 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.71 1h24 h PHE 213 CO -0.41 0.77 -0.09 0.00 -1.61 0.00 0.00 178.31 176.97 1h24 h ARG 214 N 1.24 -0.23 0.13 1.51 3.08 -1.31 0.18 114.38 118.97 1h24 h ARG 214 Ca 0.33 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.41 1h24 h ARG 214 Cb -0.07 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1h24 h ARG 214 CO -0.06 -0.16 -0.40 0.82 -1.07 0.00 0.00 179.97 179.10 1h24 h ILE 215 N -0.24 0.19 -0.89 2.04 2.04 -0.20 -2.62 117.51 117.83 1h24 h ILE 215 Ca -0.02 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.03 1h24 h ILE 215 Cb 0.19 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 1h24 h ILE 215 CO 0.03 0.00 0.58 -0.26 0.00 0.00 0.00 178.15 178.50 1h24 h PHE 216 N -0.64 0.60 0.00 1.37 0.04 0.28 -1.84 116.94 116.76 1h24 h PHE 216 Ca 0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1h24 h PHE 216 Cb 0.66 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1h24 h PHE 216 CO -0.35 0.18 -0.11 0.54 -0.60 0.00 0.00 178.31 177.97 1h24 n ARG 217 N -4.53 0.25 -0.05 1.51 1.74 0.61 -1.20 116.66 114.99 1h24 n ARG 217 Ca 0.19 0.18 -0.19 0.00 -0.77 0.00 0.00 57.85 57.26 1h24 n ARG 217 Cb 0.64 -1.77 -0.13 0.00 -1.02 0.00 0.00 32.46 30.18 1h24 n ARG 217 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1h24 n THR 218 N -2.19 1.64 0.22 0.55 -1.04 -0.81 -4.64 114.28 108.01 1h24 n THR 218 Ca 0.05 -0.64 0.02 0.00 -2.04 0.00 0.00 64.05 61.45 1h24 n THR 218 Cb 0.43 -1.52 -0.01 0.00 -1.82 0.00 0.00 70.33 67.40 1h24 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1h24 n LEU 219 N -3.34 0.55 0.00 -4.42 4.77 -0.76 -3.61 117.00 110.19 1h24 n LEU 219 Ca -0.37 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1h24 n LEU 219 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1h24 n LEU 219 CO 0.36 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1h24 n GLY 220 N 0.89 2.67 3.72 -0.72 0.00 -0.34 -4.55 105.19 106.85 1h24 n GLY 220 Ca 0.01 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1h24 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h24 s THR 221 N -2.64 4.95 0.36 2.61 2.01 -0.00 -4.57 115.64 118.35 1h24 s THR 221 Ca 0.00 1.69 -0.28 0.00 0.31 0.00 0.00 61.69 63.42 1h24 s THR 221 Cb 0.00 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.26 1h24 s THR 221 CO 0.00 0.23 1.30 -2.16 -0.69 0.00 0.00 174.62 173.29 1h24 s PRO 222 N 0.80 4.22 0.31 4.92 0.04 -1.26 -4.84 135.00 139.19 1h24 s PRO 222 Ca 0.43 2.18 0.03 0.00 0.04 0.00 0.00 61.00 63.67 1h24 s PRO 222 Cb -0.19 -2.95 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 1h24 s PRO 222 CO 0.22 -0.29 0.10 -0.40 0.04 0.00 0.00 177.00 176.67 1h24 n ASP 223 N 0.55 1.36 0.24 6.66 5.68 -1.26 -4.97 116.55 124.82 1h24 n ASP 223 Ca 0.01 -2.60 0.12 0.00 -0.50 0.00 0.00 54.79 51.82 1h24 n ASP 223 Cb 0.43 0.70 0.57 0.00 -1.14 0.00 0.00 41.12 41.68 1h24 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1h24 h GLU 224 N 0.00 0.00 0.13 0.11 4.39 -1.98 0.19 114.58 117.42 1h24 h GLU 224 Ca -0.24 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1h24 h GLU 224 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1h24 h GLU 224 CO 0.39 0.16 -0.06 0.28 -1.16 0.00 0.00 179.01 178.62 1h24 h VAL 225 N 0.00 1.03 0.00 3.13 2.07 -1.99 -2.65 116.25 117.83 1h24 h VAL 225 Ca -0.00 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 1h24 h VAL 225 Cb 0.61 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1h24 h VAL 225 CO 0.02 0.19 -0.56 1.62 0.02 0.00 0.00 177.57 178.86 1h24 h VAL 226 N -0.59 1.39 -1.79 2.57 3.04 -1.90 -3.41 116.25 115.56 1h24 h VAL 226 Ca -0.02 -1.94 -0.39 0.00 -1.01 0.00 0.00 66.70 63.33 1h24 h VAL 226 Cb 0.46 2.05 -0.29 0.00 -2.01 0.00 0.00 31.29 31.50 1h24 h VAL 226 CO 0.03 0.55 -0.75 0.86 -1.01 0.00 0.00 177.57 177.25 1h24 s TRP 227 N -3.72 -0.12 -0.07 3.17 -0.00 0.63 -4.62 118.94 114.21 1h24 s TRP 227 Ca -0.02 -1.45 -0.35 0.00 -0.00 0.00 0.00 56.10 54.28 1h24 s TRP 227 Cb 0.13 -0.38 -0.13 0.00 -0.00 0.00 0.00 33.47 33.09 1h24 s TRP 227 CO 0.75 -1.02 1.76 -2.30 -0.00 0.00 0.00 176.95 176.15 1h24 n PRO 228 N 3.09 1.90 0.00 5.86 -0.02 -1.01 -0.84 135.00 143.97 1h24 n PRO 228 Ca 0.23 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1h24 n PRO 228 Cb 0.51 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1h24 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h24 n GLY 229 N 4.06 3.21 0.25 -1.23 0.00 -1.26 -4.98 105.19 105.23 1h24 n GLY 229 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 1h24 n GLY 229 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h24 h VAL 230 N 0.00 0.69 0.00 1.61 2.07 -1.30 0.13 116.25 119.45 1h24 h VAL 230 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1h24 h VAL 230 Cb 0.00 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1h24 h VAL 230 CO 0.00 0.07 0.00 0.35 0.02 0.00 0.00 177.57 178.01 1h24 n THR 231 N -5.04 0.36 0.73 2.57 -2.24 -1.26 -1.41 114.28 108.00 1h24 n THR 231 Ca 0.11 0.09 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 1h24 n THR 231 Cb 0.34 -0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 1h24 n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1h24 n SER 232 N -1.17 1.24 -4.77 3.42 7.64 0.45 -4.92 113.62 115.51 1h24 n SER 232 Ca 0.08 -1.12 -0.39 0.00 1.01 0.00 0.00 58.87 58.45 1h24 n SER 232 Cb 0.08 0.71 -0.01 0.00 -1.01 0.00 0.00 64.21 63.98 1h24 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1h24 s MET 233 N -2.17 3.97 0.32 1.43 -1.94 -0.50 -4.91 119.30 115.49 1h24 s MET 233 Ca 0.10 2.10 0.08 0.00 -1.71 0.00 0.00 55.69 56.27 1h24 s MET 233 Cb 0.13 -2.74 0.82 0.00 2.01 0.00 0.00 34.83 35.05 1h24 s MET 233 CO 0.52 -0.47 1.76 -1.35 -0.01 0.00 0.00 175.02 175.46 1h24 h PRO 234 N 2.66 0.65 -0.61 2.03 0.11 -1.83 -0.03 132.00 134.97 1h24 h PRO 234 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1h24 h PRO 234 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1h24 h PRO 234 CO 0.62 0.43 0.00 -0.25 -0.21 0.00 0.00 178.00 178.59 1h24 n ASP 235 N -4.81 3.77 -4.76 -2.05 8.00 -0.83 -4.95 116.55 110.92 1h24 n ASP 235 Ca 0.25 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.35 1h24 n ASP 235 Cb 0.66 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1h24 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1h24 s TYR 236 N -1.15 3.39 -0.09 1.24 6.14 -0.03 -4.97 117.35 121.89 1h24 s TYR 236 Ca 0.45 1.54 0.03 0.00 0.64 0.00 0.00 57.07 59.72 1h24 s TYR 236 Cb 0.24 -3.44 0.01 0.00 0.42 0.00 0.00 41.96 39.19 1h24 s TYR 236 CO 0.32 -1.11 -0.16 0.15 0.64 0.00 0.00 175.55 175.39 1h24 s LYS 237 N -1.21 2.24 0.39 4.97 -0.14 -1.26 -4.93 119.74 119.80 1h24 s LYS 237 Ca 0.48 -0.59 0.25 0.00 -1.36 0.00 0.00 55.97 54.75 1h24 s LYS 237 Cb -0.34 -1.81 1.37 0.00 -1.68 0.00 0.00 37.83 35.37 1h24 s LYS 237 CO 0.43 0.04 1.76 -1.00 -0.76 0.00 0.00 175.35 175.82 1h24 h PRO 238 N 7.05 0.00 0.00 -1.68 0.13 -1.96 -1.40 132.00 134.14 1h24 h PRO 238 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1h24 h PRO 238 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h24 h PRO 238 CO 0.48 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.12 1h24 n SER 239 N -2.40 0.00 -4.71 1.44 3.41 -1.26 -4.87 113.62 105.23 1h24 n SER 239 Ca -0.02 -0.47 -0.43 0.00 -0.26 0.00 0.00 58.87 57.69 1h24 n SER 239 Cb 0.08 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1h24 n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1h24 n PHE 240 N -1.17 2.64 -1.65 7.33 3.72 -0.53 -4.92 117.46 122.88 1h24 n PHE 240 Ca 0.18 0.10 -0.38 0.00 -0.05 0.00 0.00 57.45 57.30 1h24 n PHE 240 Cb 0.19 -2.64 0.05 0.00 -0.94 0.00 0.00 39.48 36.14 1h24 n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1h24 n PRO 241 N 3.74 1.11 -3.45 -1.08 -0.02 -1.26 -4.92 135.00 129.13 1h24 n PRO 241 Ca 0.16 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 1h24 n PRO 241 Cb 0.33 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1h24 n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1h24 s LYS 242 N -2.79 3.61 0.41 -0.52 1.02 -1.26 -4.85 119.74 115.35 1h24 s LYS 242 Ca 0.75 -2.90 -0.16 0.00 0.02 0.00 0.00 55.97 53.69 1h24 s LYS 242 Cb -0.42 -4.29 -0.09 0.00 -0.52 0.00 0.00 37.83 32.51 1h24 s LYS 242 CO 0.47 -1.25 0.85 -1.58 -0.92 0.00 0.00 175.35 172.92 1h24 s TRP 243 N -0.66 3.40 0.42 3.18 0.51 -1.26 -4.86 118.94 119.67 1h24 s TRP 243 Ca 0.24 1.32 -0.09 0.00 -2.12 0.00 0.00 56.10 55.46 1h24 s TRP 243 Cb -0.11 -2.64 -0.05 0.00 -0.81 0.00 0.00 33.47 29.85 1h24 s TRP 243 CO -0.09 -0.10 0.77 0.00 -0.51 0.00 0.00 176.95 177.02 1h24 s ALA 244 N -2.26 3.38 0.12 0.98 0.00 -1.26 -0.82 121.76 121.89 1h24 s ALA 244 Ca 0.56 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 1h24 s ALA 244 Cb -0.10 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 1h24 s ALA 244 CO 0.23 -0.10 0.91 0.50 0.00 0.00 0.00 175.76 177.29 1h24 s ARG 245 N -4.10 4.67 0.67 0.00 3.52 -1.26 -4.22 118.95 118.22 1h24 s ARG 245 Ca 0.50 1.36 -0.11 0.00 -0.13 0.00 0.00 55.73 57.34 1h24 s ARG 245 Cb -0.10 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1h24 s ARG 245 CO 0.35 0.29 1.06 -0.65 -0.81 0.00 0.00 175.30 175.55 1h24 s GLN 246 N -0.24 3.17 0.50 5.12 -0.21 -1.24 -4.93 119.66 121.84 1h24 s GLN 246 Ca 0.44 0.64 -0.21 0.00 0.02 0.00 0.00 55.36 56.24 1h24 s GLN 246 Cb -0.23 -2.04 -0.07 0.00 1.00 0.00 0.00 33.01 31.67 1h24 s GLN 246 CO 0.28 -0.85 1.16 0.34 -2.12 0.00 0.00 175.29 174.10 1h24 s ASP 247 N -4.21 5.92 0.50 5.90 3.68 -1.26 -4.90 116.67 122.29 1h24 s ASP 247 Ca 0.57 2.27 0.30 0.00 2.13 0.00 0.00 52.55 57.82 1h24 s ASP 247 Cb -0.11 -2.59 1.04 0.00 -1.45 0.00 0.00 42.92 39.81 1h24 s ASP 247 CO 0.53 -1.09 1.86 -0.26 0.13 0.00 0.00 175.17 176.34 1h24 h PHE 248 N 1.63 0.00 0.00 -5.34 -1.00 -1.96 -2.30 116.94 107.96 1h24 h PHE 248 Ca -0.50 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.28 1h24 h PHE 248 Cb 1.26 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.82 1h24 h PHE 248 CO 0.52 0.00 -0.02 0.66 -1.61 0.00 0.00 178.31 177.86 1h24 h SER 249 N 0.00 0.00 0.47 2.17 4.64 -1.90 -2.32 113.55 116.60 1h24 h SER 249 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1h24 h SER 249 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1h24 h SER 249 CO 0.00 0.02 -1.57 0.29 -0.87 0.00 0.00 176.83 174.70 1h24 n LYS 250 N -3.16 0.64 -0.12 4.77 4.76 -0.87 -3.38 118.16 120.80 1h24 n LYS 250 Ca -0.01 -0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.33 1h24 n LYS 250 Cb 0.22 -1.67 0.06 0.00 -1.84 0.00 0.00 35.03 31.80 1h24 n LYS 250 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1h24 h VAL 251 N 0.00 1.27 -1.69 -0.18 2.07 -1.37 -3.37 116.25 112.98 1h24 h VAL 251 Ca -0.05 -1.33 -0.44 0.00 0.82 0.00 0.00 66.70 65.70 1h24 h VAL 251 Cb 1.14 1.14 -0.31 0.00 -1.52 0.00 0.00 31.29 31.74 1h24 h VAL 251 CO 0.01 0.45 -0.85 0.52 0.02 0.00 0.00 177.57 177.72 1h24 n VAL 252 N -4.12 -0.69 -0.34 2.57 0.31 -1.05 -5.04 118.33 109.96 1h24 n VAL 252 Ca 0.00 -2.80 0.19 0.00 -0.01 0.00 0.00 64.34 61.72 1h24 n VAL 252 Cb 0.43 -0.77 0.41 0.00 -0.91 0.00 0.00 33.84 33.01 1h24 n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1h24 h PRO 253 N 4.91 0.53 0.00 5.55 0.11 -1.73 -0.94 132.00 140.44 1h24 h PRO 253 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1h24 h PRO 253 Cb 0.96 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1h24 h PRO 253 CO 0.31 0.35 0.00 -2.30 -0.21 0.00 0.00 178.00 176.15 1h24 n PRO 254 N -4.82 0.37 -2.56 1.05 -0.02 -1.26 -4.83 135.00 122.93 1h24 n PRO 254 Ca 0.26 0.08 -0.38 0.00 -2.02 0.00 0.00 63.50 61.44 1h24 n PRO 254 Cb 0.77 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.71 1h24 n PRO 254 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h24 s LEU 255 N -2.41 4.36 0.00 2.45 1.02 -0.36 -5.07 118.68 118.68 1h24 s LEU 255 Ca 0.21 2.10 -0.05 0.00 0.02 0.00 0.00 54.13 56.42 1h24 s LEU 255 Cb 0.13 -3.90 0.09 0.00 0.02 0.00 0.00 46.19 42.53 1h24 s LEU 255 CO 0.27 -0.26 0.56 -0.90 0.02 0.00 0.00 176.35 176.05 1h24 n ASP 256 N 0.62 0.29 -0.18 2.29 5.75 -1.26 -4.80 116.55 119.25 1h24 n ASP 256 Ca 0.02 -1.35 -0.08 0.00 -0.01 0.00 0.00 54.79 53.36 1h24 n ASP 256 Cb 0.48 -0.40 0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1h24 n ASP 256 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1h24 h GLU 257 N 0.00 0.80 -0.03 0.11 4.81 -1.98 -0.92 114.58 117.37 1h24 h GLU 257 Ca -0.18 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1h24 h GLU 257 Cb 0.56 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1h24 h GLU 257 CO 0.15 0.73 0.00 -0.44 -0.73 0.00 0.00 179.01 178.73 1h24 h ASP 258 N 0.71 0.06 -0.83 1.04 3.32 -1.96 0.25 116.42 119.01 1h24 h ASP 258 Ca 0.17 -0.27 0.18 0.00 0.02 0.00 0.00 57.03 57.13 1h24 h ASP 258 Cb 0.26 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 39.69 1h24 h ASP 258 CO -0.01 0.31 0.32 1.23 -1.72 0.00 0.00 179.24 179.38 1h24 h GLY 259 N -0.20 1.31 0.97 2.75 0.00 -1.92 0.55 103.07 106.53 1h24 h GLY 259 Ca 0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1h24 h GLY 259 CO 0.00 -0.20 -0.28 3.21 0.00 0.00 0.00 176.54 179.28 1h24 h ARG 260 N 0.39 0.71 -0.59 4.80 3.08 -0.45 -1.32 114.38 121.01 1h24 h ARG 260 Ca 0.49 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1h24 h ARG 260 Cb 0.85 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1h24 h ARG 260 CO -0.49 0.98 0.21 0.66 -1.07 0.00 0.00 179.97 180.26 1h24 h SER 261 N 0.46 0.83 0.28 7.04 4.64 0.15 -0.48 113.55 126.47 1h24 h SER 261 Ca 0.05 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1h24 h SER 261 Cb 0.84 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1h24 h SER 261 CO 0.07 0.80 -0.13 0.25 -0.87 0.00 0.00 176.83 176.94 1h24 h LEU 262 N 0.82 -0.32 -1.14 5.97 5.85 -0.77 -1.19 115.31 124.53 1h24 h LEU 262 Ca 0.19 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.93 1h24 h LEU 262 Cb 0.24 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 1h24 h LEU 262 CO -0.01 -0.09 0.60 0.25 -0.34 0.00 0.00 178.44 178.85 1h24 h LEU 263 N -0.54 0.83 -1.36 2.25 5.85 -1.20 0.50 115.31 121.64 1h24 h LEU 263 Ca -0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1h24 h LEU 263 Cb 0.40 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1h24 h LEU 263 CO 0.06 0.45 0.32 -1.28 -0.34 0.00 0.00 178.44 177.65 1h24 h SER 264 N 0.89 0.66 1.33 1.25 0.87 -0.91 -1.05 113.55 116.60 1h24 h SER 264 Ca 0.46 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1h24 h SER 264 Cb 0.51 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1h24 h SER 264 CO -0.22 0.53 -0.30 1.56 -0.53 0.00 0.00 176.83 177.87 1h24 h GLN 265 N 0.76 0.00 0.00 2.24 4.20 0.12 -3.22 115.11 119.22 1h24 h GLN 265 Ca 0.20 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 1h24 h GLN 265 Cb -0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1h24 h GLN 265 CO -0.04 0.00 -0.63 0.52 -0.67 0.00 0.00 178.83 178.02 1h24 h MET 266 N 0.00 0.00 -0.66 1.46 2.86 -0.60 -0.68 114.93 117.31 1h24 h MET 266 Ca 0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 1h24 h MET 266 Cb 0.81 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.32 1h24 h MET 266 CO 0.00 0.37 0.26 1.28 1.06 0.00 0.00 176.91 179.88 1h24 n LEU 267 N -3.12 5.57 -4.74 1.22 4.77 -0.45 -3.86 117.00 116.39 1h24 n LEU 267 Ca 0.00 -3.41 -0.41 0.00 -0.03 0.00 0.00 56.01 52.16 1h24 n LEU 267 Cb 0.72 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1h24 n LEU 267 CO 0.40 0.95 0.81 -2.28 -1.33 0.00 0.00 177.39 175.94 1h24 s HIS 268 N -3.11 3.56 0.13 -1.77 2.46 -1.24 -4.94 115.29 110.39 1h24 s HIS 268 Ca 0.52 1.58 -0.23 0.00 0.47 0.00 0.00 55.06 57.40 1h24 s HIS 268 Cb 0.43 -3.30 -0.03 0.00 -0.13 0.00 0.00 32.58 29.55 1h24 s HIS 268 CO 0.09 -0.70 1.67 1.88 -2.47 0.00 0.00 174.74 175.21 1h24 h TYR 269 N 5.05 -0.41 -3.44 3.88 0.05 -1.93 -3.40 116.97 116.76 1h24 h TYR 269 Ca -0.44 0.02 -0.57 0.00 0.05 0.00 0.00 58.73 57.79 1h24 h TYR 269 Cb 1.21 0.20 -0.06 0.00 1.01 0.00 0.00 36.73 39.09 1h24 h TYR 269 CO 0.62 -0.23 0.90 0.34 -1.05 0.00 0.00 178.16 178.74 1h24 s ASP 270 N -5.03 6.76 0.32 3.88 -1.08 -1.26 -4.80 116.67 115.45 1h24 s ASP 270 Ca -0.14 0.83 0.09 0.00 -0.52 0.00 0.00 52.55 52.81 1h24 s ASP 270 Cb 0.10 -2.55 0.85 0.00 -1.46 0.00 0.00 42.92 39.86 1h24 s ASP 270 CO 0.67 -1.08 1.76 -0.65 0.52 0.00 0.00 175.17 176.40 1h24 h PRO 271 N 8.80 0.63 -0.82 4.34 0.11 -1.95 -0.57 132.00 142.53 1h24 h PRO 271 Ca -0.22 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1h24 h PRO 271 Cb 1.07 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 1h24 h PRO 271 CO 1.07 0.42 0.45 -0.91 -0.21 0.00 0.00 178.00 178.82 1h24 h ASN 272 N 0.65 1.02 1.63 -2.05 4.21 -1.95 -3.02 115.58 116.06 1h24 h ASN 272 Ca 0.60 -0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.98 1h24 h ASN 272 Cb 1.09 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 38.02 1h24 h ASN 272 CO -0.39 0.82 -0.38 0.11 -1.29 0.00 0.00 177.43 176.30 1h24 h LYS 273 N 1.14 0.00 -6.58 0.81 1.79 -1.55 -3.46 116.57 108.71 1h24 h LYS 273 Ca 0.29 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.17 1h24 h LYS 273 Cb 0.02 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.78 1h24 h LYS 273 CO -0.05 0.12 0.34 -2.13 -1.08 0.00 0.00 179.45 176.65 1h24 n ARG 274 N -3.03 1.72 -0.70 3.15 0.63 -0.49 -4.91 116.66 113.03 1h24 n ARG 274 Ca 0.02 0.60 -0.28 0.00 -0.92 0.00 0.00 57.85 57.27 1h24 n ARG 274 Cb 0.59 -2.10 0.24 0.00 0.45 0.00 0.00 32.46 31.65 1h24 n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1h24 s ILE 275 N -0.91 1.93 0.27 5.15 2.07 -0.26 -5.00 121.20 124.44 1h24 s ILE 275 Ca 0.59 0.00 0.11 0.00 -1.41 0.00 0.00 60.65 59.94 1h24 s ILE 275 Cb -0.65 -2.18 -0.05 0.00 0.13 0.00 0.00 42.46 39.71 1h24 s ILE 275 CO 0.59 0.00 -0.10 -0.94 -1.91 0.00 0.00 174.94 172.58 1h24 s SER 276 N -2.84 4.06 0.19 4.50 1.04 -1.26 -4.95 113.70 114.44 1h24 s SER 276 Ca 0.68 -0.82 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 1h24 s SER 276 Cb -0.22 -0.57 0.19 0.00 0.10 0.00 0.00 66.02 65.51 1h24 s SER 276 CO 0.62 0.03 1.67 0.00 0.98 0.00 0.00 173.24 176.54 1h24 h ALA 277 N 2.15 0.44 -0.03 5.32 0.00 -1.93 0.15 119.26 125.35 1h24 h ALA 277 Ca -0.42 0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1h24 h ALA 277 Cb 1.25 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 1h24 h ALA 277 CO 0.59 -0.41 -0.44 -0.22 0.00 0.00 0.00 179.25 178.78 1h24 h LYS 278 N 0.08 -0.55 -0.49 0.00 3.64 -1.91 -1.79 116.57 115.55 1h24 h LYS 278 Ca 0.25 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1h24 h LYS 278 Cb 0.39 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1h24 h LYS 278 CO -0.45 -0.37 0.21 0.00 -2.27 0.00 0.00 179.45 176.58 1h24 h ALA 279 N -0.07 1.46 0.00 5.00 0.00 -1.86 -2.19 119.26 121.60 1h24 h ALA 279 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1h24 h ALA 279 Cb 0.66 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h24 h ALA 279 CO -0.35 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 179.24 1h24 h ALA 280 N 1.55 1.22 -0.23 0.00 0.00 0.11 -1.21 119.26 120.70 1h24 h ALA 280 Ca 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1h24 h ALA 280 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1h24 h ALA 280 CO -0.02 0.10 0.15 -0.07 0.00 0.00 0.00 179.25 179.42 1h24 h LEU 281 N 0.00 0.23 -1.05 0.00 3.38 -0.72 -2.21 115.31 114.94 1h24 h LEU 281 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h24 h LEU 281 Cb 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1h24 h LEU 281 CO 0.01 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1h24 n ALA 282 N -2.51 2.52 -1.77 1.53 0.00 -0.46 -4.87 120.51 114.95 1h24 n ALA 282 Ca 0.01 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 1h24 n ALA 282 Cb 0.11 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 1h24 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1h24 s HIS 283 N -1.79 3.00 0.58 0.00 5.04 -0.83 -4.88 115.29 116.40 1h24 s HIS 283 Ca 0.32 1.41 0.40 0.00 -1.54 0.00 0.00 55.06 55.65 1h24 s HIS 283 Cb 0.17 -3.68 2.17 0.00 0.04 0.00 0.00 32.58 31.28 1h24 s HIS 283 CO 0.26 -1.90 2.22 -1.35 -2.34 0.00 0.00 174.74 171.62 1h24 h PRO 284 N 3.24 0.00 -1.00 2.88 0.11 -1.92 0.18 132.00 135.49 1h24 h PRO 284 Ca -0.49 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.86 1h24 h PRO 284 Cb 1.23 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1h24 h PRO 284 CO 0.65 0.00 0.64 0.35 -0.21 0.00 0.00 178.00 179.43 1h24 h PHE 285 N 0.00 0.70 -0.05 0.65 3.57 -1.90 -1.05 116.94 118.86 1h24 h PHE 285 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1h24 h PHE 285 Cb 0.12 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1h24 h PHE 285 CO 0.00 0.11 0.00 1.19 -2.23 0.00 0.00 178.31 177.38 1h24 n PHE 286 N -4.62 0.06 -0.40 0.41 3.72 0.64 -4.51 117.46 112.75 1h24 n PHE 286 Ca 0.24 -0.03 0.35 0.00 -0.05 0.00 0.00 57.45 57.96 1h24 n PHE 286 Cb 0.78 0.00 0.62 0.00 -0.94 0.00 0.00 39.48 39.94 1h24 n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1h24 h GLN 287 N 2.32 0.06 -0.41 -1.08 3.07 -1.31 -2.12 115.11 115.63 1h24 h GLN 287 Ca 0.00 -0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.58 1h24 h GLN 287 Cb 0.50 -0.01 -0.10 0.00 0.08 0.00 0.00 27.48 27.95 1h24 h GLN 287 CO 0.00 0.04 0.04 -0.40 0.09 0.00 0.00 178.83 178.59 1h24 n ASP 288 N -4.94 3.15 -4.79 0.06 5.75 -1.26 -5.05 116.55 109.47 1h24 n ASP 288 Ca 0.38 -3.50 -0.32 0.00 -0.01 0.00 0.00 54.79 51.34 1h24 n ASP 288 Cb 1.37 -0.63 0.04 0.00 -1.03 0.00 0.00 41.12 40.87 1h24 n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1h24 s VAL 289 N -3.11 3.67 0.14 2.12 0.11 -0.80 -5.05 120.40 117.47 1h24 s VAL 289 Ca 0.46 0.67 -0.19 0.00 -2.93 0.00 0.00 61.98 59.99 1h24 s VAL 289 Cb 0.40 -3.25 0.05 0.00 -1.53 0.00 0.00 36.38 32.05 1h24 s VAL 289 CO 0.04 -0.58 0.49 0.42 -3.33 0.00 0.00 175.10 172.14 1h24 s THR 290 N -2.67 0.04 -1.08 5.04 -4.23 -1.26 -5.07 115.64 106.41 1h24 s THR 290 Ca 0.62 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.77 1h24 s THR 290 Cb -0.17 -1.09 0.30 0.00 1.34 0.00 0.00 72.50 72.89 1h24 s THR 290 CO 0.46 -0.18 1.62 1.17 -0.54 0.00 0.00 174.62 177.15 1h24 n LYS 291 N -0.26 4.75 -1.06 3.99 4.81 -1.26 -4.16 118.16 124.96 1h24 n LYS 291 Ca -0.17 -4.53 -0.35 0.00 -0.87 0.00 0.00 58.31 52.39 1h24 n LYS 291 Cb 0.64 -2.52 0.08 0.00 0.02 0.00 0.00 35.03 33.26 1h24 n LYS 291 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1h24 n PRO 292 N 1.01 0.04 0.00 1.64 -0.02 -1.26 -4.72 135.00 131.69 1h24 n PRO 292 Ca 0.33 0.05 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1h24 n PRO 292 Cb 0.31 -1.72 0.28 0.00 -0.02 0.00 0.00 33.50 32.35 1h24 n PRO 292 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76