#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h6m h THR 2 N 0.00 0.82 -0.43 6.66 2.02 -1.91 -2.22 112.91 117.85 2h6m h THR 2 Ca 0.00 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 2h6m h THR 2 Cb 0.00 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 2h6m h THR 2 CO 0.00 0.10 -0.02 0.25 0.37 0.00 0.00 175.52 176.21 2h6m h LEU 3 N 0.52 0.68 -0.25 2.58 5.85 -1.98 0.99 115.31 123.70 2h6m h LEU 3 Ca 0.33 -0.16 -0.20 0.00 0.84 0.00 0.00 57.88 58.69 2h6m h LEU 3 Cb 0.38 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2h6m h LEU 3 CO -0.28 0.76 -0.64 -0.33 -0.34 0.00 0.00 178.44 177.61 2h6m h GLU 4 N 0.66 0.83 -0.92 1.25 4.39 -1.92 -1.40 114.58 117.48 2h6m h GLU 4 Ca 0.13 -0.59 -0.00 0.00 0.34 0.00 0.00 59.36 59.24 2h6m h GLU 4 Cb 0.45 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 2h6m h GLU 4 CO 0.02 1.21 0.56 0.82 -1.16 0.00 0.00 179.01 180.46 2h6m h ILE 5 N 0.61 1.25 -0.83 3.13 1.08 -1.19 -2.44 117.51 119.13 2h6m h ILE 5 Ca -0.01 -0.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.93 2h6m h ILE 5 Cb 1.26 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 2h6m h ILE 5 CO 0.14 0.26 0.55 0.00 -0.69 0.00 0.00 178.15 178.41 2h6m h ALA 6 N 1.31 1.41 -0.73 1.87 0.00 -0.53 -0.73 119.26 121.86 2h6m h ALA 6 Ca 0.33 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2h6m h ALA 6 Cb -0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 2h6m h ALA 6 CO -0.06 0.54 0.25 0.78 0.00 0.00 0.00 179.25 180.76 2h6m h GLY 7 N 1.12 1.20 1.26 0.00 0.00 -0.81 0.69 103.07 106.53 2h6m h GLY 7 Ca 0.30 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 2h6m h GLY 7 CO -0.07 0.65 -0.16 1.41 0.00 0.00 0.00 176.54 178.37 2h6m h LEU 8 N 1.06 0.86 0.10 3.11 3.38 -0.92 -2.28 115.31 120.63 2h6m h LEU 8 Ca 0.24 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2h6m h LEU 8 Cb 0.27 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2h6m h LEU 8 CO -0.01 1.02 -0.05 0.58 0.09 0.00 0.00 178.44 180.07 2h6m h VAL 9 N 0.76 0.99 -0.80 1.22 2.07 -0.95 -3.11 116.25 116.43 2h6m h VAL 9 Ca 0.11 -0.32 0.14 0.00 0.82 0.00 0.00 66.70 67.45 2h6m h VAL 9 Cb 0.68 1.19 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 2h6m h VAL 9 CO 0.05 0.08 0.38 -0.09 0.02 0.00 0.00 177.57 178.00 2h6m h ARG 10 N -0.28 0.54 0.00 1.57 2.43 -0.73 0.03 114.38 117.94 2h6m h ARG 10 Ca -0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2h6m h ARG 10 Cb 0.23 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2h6m h ARG 10 CO 0.02 0.35 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.55 2h6m h LYS 11 N 0.55 0.00 -0.02 0.20 1.63 -1.40 -2.83 116.57 114.70 2h6m h LYS 11 Ca 0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 2h6m h LYS 11 Cb 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2h6m h LYS 11 CO -0.37 0.07 -0.24 0.09 -3.45 0.00 0.00 179.45 175.56 2h6m n ASN 12 N -3.23 2.28 -4.73 4.20 4.13 -0.09 -4.95 115.26 112.88 2h6m n ASN 12 Ca 0.00 -1.64 -0.41 0.00 1.68 0.00 0.00 54.58 54.21 2h6m n ASN 12 Cb 0.32 0.27 -0.04 0.00 -1.54 0.00 0.00 39.78 38.78 2h6m n ASN 12 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2h6m s LEU 13 N -2.08 4.43 0.24 3.41 1.43 -0.66 -0.90 118.68 124.55 2h6m s LEU 13 Ca 0.20 1.58 0.09 0.00 -1.03 0.00 0.00 54.13 54.97 2h6m s LEU 13 Cb 0.17 -3.42 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 2h6m s LEU 13 CO 0.40 -0.10 -0.14 0.68 0.23 0.00 0.00 176.35 177.42 2h6m s VAL 14 N 0.37 1.90 0.09 -1.59 -7.23 0.13 -4.85 120.40 109.22 2h6m s VAL 14 Ca 0.45 -2.24 -0.22 0.00 -1.81 0.00 0.00 61.98 58.16 2h6m s VAL 14 Cb -0.21 -2.19 -0.07 0.00 0.56 0.00 0.00 36.38 34.47 2h6m s VAL 14 CO 0.26 -0.49 0.65 -1.10 -0.31 0.00 0.00 175.10 174.11 2h6m s GLN 15 N -3.63 4.36 -0.16 4.82 -1.52 -0.54 -0.96 119.66 122.03 2h6m s GLN 15 Ca 0.26 0.90 -0.03 0.00 -1.95 0.00 0.00 55.36 54.53 2h6m s GLN 15 Cb -0.01 -3.27 -0.02 0.00 -0.22 0.00 0.00 33.01 29.49 2h6m s GLN 15 CO 0.10 0.55 -0.06 0.12 -0.25 0.00 0.00 175.29 175.75 2h6m s PHE 16 N -0.89 2.96 0.12 0.91 5.36 0.22 -0.82 117.98 125.83 2h6m s PHE 16 Ca 0.32 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 55.81 2h6m s PHE 16 Cb -0.21 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.47 2h6m s PHE 16 CO 0.21 -0.19 -0.07 0.20 -1.46 0.00 0.00 175.22 173.92 2h6m s GLY 17 N 0.60 0.90 0.00 13.12 0.00 -0.08 -1.01 107.32 120.86 2h6m s GLY 17 Ca -0.04 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.30 2h6m s GLY 17 CO 0.03 -1.50 -0.10 0.14 0.00 0.00 0.00 173.10 171.67 2h6m s VAL 18 N -3.56 0.78 0.11 1.40 1.01 -0.29 -0.33 120.40 119.52 2h6m s VAL 18 Ca 0.15 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2h6m s VAL 18 Cb 0.05 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.80 2h6m s VAL 18 CO -0.02 0.16 0.45 -0.83 0.00 0.00 0.00 175.10 174.86 2h6m s GLY 19 N -0.39 -0.36 0.51 4.51 0.00 -0.31 -0.66 107.32 110.61 2h6m s GLY 19 Ca 0.03 0.17 -0.20 0.00 0.00 0.00 0.00 44.72 44.72 2h6m s GLY 19 CO -0.00 -0.11 1.06 -0.54 0.00 0.00 0.00 173.10 173.51 2h6m s GLU 20 N -3.49 3.67 0.11 2.90 2.02 -1.26 0.08 118.70 122.73 2h6m s GLU 20 Ca 0.01 1.41 -0.36 0.00 0.02 0.00 0.00 54.97 56.05 2h6m s GLU 20 Cb 0.01 -2.07 -0.16 0.00 0.10 0.00 0.00 34.13 32.01 2h6m s GLU 20 CO -0.10 -0.55 1.35 1.17 0.02 0.00 0.00 175.26 177.15 2h6m n LYS 21 N -1.11 1.29 -1.05 1.61 3.00 -1.26 -1.10 118.16 119.53 2h6m n LYS 21 Ca 0.10 0.46 -0.02 0.00 -0.00 0.00 0.00 58.31 58.85 2h6m n LYS 21 Cb 0.52 -2.10 -0.01 0.00 0.00 0.00 0.00 35.03 33.44 2h6m n LYS 21 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2h6m n ASN 22 N 2.55 -4.53 -4.83 3.14 3.02 -1.26 -5.00 115.26 108.36 2h6m n ASN 22 Ca 0.18 0.05 -0.30 0.00 -0.03 0.00 0.00 54.58 54.48 2h6m n ASN 22 Cb 0.21 -2.19 -0.04 0.00 -0.61 0.00 0.00 39.78 37.15 2h6m n ASN 22 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2h6m s GLY 23 N -2.15 2.70 0.49 7.41 0.00 -0.26 -5.12 107.32 110.38 2h6m s GLY 23 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 44.72 43.67 2h6m s GLY 23 CO 0.00 -2.07 1.19 -0.56 0.00 0.00 0.00 173.10 171.66 2h6m s SER 24 N -4.07 5.95 -0.03 1.64 0.01 -1.26 -4.74 113.70 111.19 2h6m s SER 24 Ca 0.20 2.37 -0.23 0.00 1.31 0.00 0.00 55.95 59.60 2h6m s SER 24 Cb -0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2h6m s SER 24 CO 0.12 -1.07 0.69 -0.69 0.41 0.00 0.00 173.24 172.70 2h6m s VAL 25 N -1.53 4.96 -0.41 3.43 1.01 -1.26 -4.37 120.40 122.23 2h6m s VAL 25 Ca 0.66 1.43 -0.16 0.00 0.00 0.00 0.00 61.98 63.91 2h6m s VAL 25 Cb -0.30 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.07 2h6m s VAL 25 CO 0.36 0.31 0.39 -0.60 0.00 0.00 0.00 175.10 175.56 2h6m s ARG 26 N 0.42 3.11 -0.27 2.72 3.52 0.16 -4.93 118.95 123.67 2h6m s ARG 26 Ca 0.36 -0.80 -0.27 0.00 -0.13 0.00 0.00 55.73 54.89 2h6m s ARG 26 Cb -0.18 -3.95 0.01 0.00 -1.56 0.00 0.00 34.95 29.26 2h6m s ARG 26 CO 0.19 -0.79 0.97 -1.58 -0.81 0.00 0.00 175.30 173.28 2h6m s TRP 27 N 1.99 3.25 -0.23 5.12 0.52 -1.26 -1.14 118.94 127.18 2h6m s TRP 27 Ca 0.10 1.21 -0.12 0.00 0.02 0.00 0.00 56.10 57.30 2h6m s TRP 27 Cb -0.18 -3.36 -0.10 0.00 -1.15 0.00 0.00 33.47 28.69 2h6m s TRP 27 CO 0.12 -0.57 -0.31 0.28 0.02 0.00 0.00 176.95 176.49 2h6m n VAL 28 N 5.53 1.33 -2.88 4.03 0.31 -0.18 -4.98 118.33 121.49 2h6m n VAL 28 Ca 0.09 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2h6m n VAL 28 Cb 0.47 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2h6m n VAL 28 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2h6m n MET 29 N -4.10 0.00 -3.54 5.55 0.00 -1.16 -4.42 117.12 109.45 2h6m n MET 29 Ca -0.44 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.00 2h6m n MET 29 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 34.00 2h6m n MET 29 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2h6m s ASN 30 N 0.33 6.36 0.08 3.17 0.01 -0.46 -0.61 114.94 123.82 2h6m s ASN 30 Ca 0.00 0.45 0.06 0.00 -0.71 0.00 0.00 52.86 52.66 2h6m s ASN 30 Cb 0.00 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.60 2h6m s ASN 30 CO 0.00 -0.16 -0.15 0.00 -1.51 0.00 0.00 177.10 175.28 2h6m s ALA 31 N -2.08 1.28 -0.26 0.60 0.00 -0.13 -4.19 121.76 116.99 2h6m s ALA 31 Ca 0.40 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 2h6m s ALA 31 Cb -0.10 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.94 2h6m s ALA 31 CO 0.32 0.18 -0.06 -1.17 0.00 0.00 0.00 175.76 175.03 2h6m s LEU 32 N -1.85 3.35 0.30 0.00 2.96 -0.26 -0.69 118.68 122.49 2h6m s LEU 32 Ca 0.00 -1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 52.61 2h6m s LEU 32 Cb -0.09 -1.66 -0.10 0.00 0.50 0.00 0.00 46.19 44.83 2h6m s LEU 32 CO 0.03 -0.16 1.44 -0.83 -1.32 0.00 0.00 176.35 175.50 2h6m s GLY 33 N 1.28 2.59 -0.02 7.98 0.00 -0.08 -0.48 107.32 118.60 2h6m s GLY 33 Ca -0.02 1.39 0.01 0.00 0.00 0.00 0.00 44.72 46.10 2h6m s GLY 33 CO -0.04 2.22 -0.00 3.33 0.00 0.00 0.00 173.10 178.61 2h6m n VAL 34 N 1.55 0.11 -3.64 1.40 0.24 -0.29 -4.82 118.33 112.88 2h6m n VAL 34 Ca 0.04 -0.06 -0.06 0.00 -2.04 0.00 0.00 64.34 62.21 2h6m n VAL 34 Cb 0.40 -0.84 -0.07 0.00 -1.47 0.00 0.00 33.84 31.86 2h6m n VAL 34 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2h6m s LYS 35 N -2.04 0.32 4.02 7.34 2.20 -1.21 -0.86 119.74 129.50 2h6m s LYS 35 Ca -0.01 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 2h6m s LYS 35 Cb 0.01 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2h6m s LYS 35 CO 0.06 -0.05 0.00 -0.25 -0.36 0.00 0.00 175.35 174.75 2h6m n ASP 36 N 1.76 0.00 -1.59 1.43 8.00 -1.24 -0.71 116.55 124.20 2h6m n ASP 36 Ca -0.11 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.31 2h6m n ASP 36 Cb 0.57 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.89 2h6m n ASP 36 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2h6m n ASP 37 N 4.09 3.49 -4.71 -2.24 5.75 -1.26 -0.58 116.55 121.09 2h6m n ASP 37 Ca 0.00 -3.52 -0.35 0.00 -0.01 0.00 0.00 54.79 50.91 2h6m n ASP 37 Cb 0.00 -0.70 -0.09 0.00 -1.03 0.00 0.00 41.12 39.30 2h6m n ASP 37 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2h6m s TRP 38 N -3.16 3.32 0.17 2.11 0.52 0.12 -0.79 118.94 121.23 2h6m s TRP 38 Ca 0.50 0.22 0.08 0.00 0.02 0.00 0.00 56.10 56.92 2h6m s TRP 38 Cb 0.43 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 2h6m s TRP 38 CO 0.07 0.37 -0.17 -0.51 0.02 0.00 0.00 176.95 176.72 2h6m s LEU 39 N -0.23 2.45 -0.10 2.99 1.02 0.29 -1.14 118.68 123.96 2h6m s LEU 39 Ca 0.08 -0.88 -0.14 0.00 0.02 0.00 0.00 54.13 53.21 2h6m s LEU 39 Cb -0.12 -0.79 -0.05 0.00 0.02 0.00 0.00 46.19 45.25 2h6m s LEU 39 CO 0.01 -0.06 0.35 -0.76 0.02 0.00 0.00 176.35 175.91 2h6m s LEU 40 N -2.74 4.34 -0.15 1.79 1.43 0.37 -0.17 118.68 123.55 2h6m s LEU 40 Ca 0.16 0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 2h6m s LEU 40 Cb -0.05 -2.47 0.04 0.00 0.03 0.00 0.00 46.19 43.74 2h6m s LEU 40 CO 0.06 0.18 0.39 0.54 0.23 0.00 0.00 176.35 177.76 2h6m s VAL 41 N -0.15 -0.00 -0.02 -1.59 0.11 -0.71 -1.10 120.40 116.94 2h6m s VAL 41 Ca 0.20 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 2h6m s VAL 41 Cb -0.14 -0.56 -0.07 0.00 -1.53 0.00 0.00 36.38 34.08 2h6m s VAL 41 CO 0.08 0.00 1.81 -2.84 -3.33 0.00 0.00 175.10 170.82 2h6m s PRO 42 N 0.34 4.15 0.47 1.54 0.02 -1.26 -1.32 135.00 138.94 2h6m s PRO 42 Ca -0.01 2.38 0.32 0.00 0.02 0.00 0.00 61.00 63.71 2h6m s PRO 42 Cb -0.03 -4.07 1.47 0.00 0.02 0.00 0.00 34.50 31.88 2h6m s PRO 42 CO -0.01 -0.92 1.95 0.66 -0.33 0.00 0.00 177.00 178.36 2h6m h SER 43 N 10.10 0.00 0.22 2.53 4.64 -0.85 -1.99 113.55 128.20 2h6m h SER 43 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2h6m h SER 43 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2h6m h SER 43 CO 0.95 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.91 2h6m n HIS 44 N -2.75 0.64 0.25 4.77 1.44 -1.26 -1.03 115.22 117.27 2h6m n HIS 44 Ca -0.00 0.31 0.11 0.00 -2.01 0.00 0.00 57.72 56.12 2h6m n HIS 44 Cb 0.20 -0.99 0.71 0.00 0.12 0.00 0.00 29.99 30.03 2h6m n HIS 44 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2h6m h ALA 45 N 2.09 1.93 0.00 1.59 0.00 -1.75 -3.39 119.26 119.74 2h6m h ALA 45 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h6m h ALA 45 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2h6m h ALA 45 CO 0.00 -0.05 -0.07 2.48 0.00 0.00 0.00 179.25 181.61 2h6m n TYR 46 N -4.37 0.00 0.56 0.00 0.18 -0.68 -4.94 117.16 107.92 2h6m n TYR 46 Ca -0.02 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.88 2h6m n TYR 46 Cb 0.13 0.00 0.45 0.00 -0.38 0.00 0.00 39.34 39.54 2h6m n TYR 46 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 2h6m n LYS 47 N -0.44 0.16 -0.09 -3.48 2.85 -0.20 -2.81 118.16 114.15 2h6m n LYS 47 Ca 0.00 0.28 0.12 0.00 -1.05 0.00 0.00 58.31 57.65 2h6m n LYS 47 Cb 0.02 -1.75 0.15 0.00 -0.65 0.00 0.00 35.03 32.81 2h6m n LYS 47 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2h6m n PHE 48 N -2.04 0.25 -3.63 5.58 3.72 -1.26 -4.92 117.46 115.15 2h6m n PHE 48 Ca 0.04 -0.13 -0.29 0.00 -0.05 0.00 0.00 57.45 57.03 2h6m n PHE 48 Cb 0.30 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 2h6m n PHE 48 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2h6m s GLU 49 N -1.69 3.57 0.26 -1.08 0.41 -1.12 -5.03 118.70 114.02 2h6m s GLU 49 Ca 0.32 -0.21 -0.30 0.00 -0.41 0.00 0.00 54.97 54.37 2h6m s GLU 49 Cb 0.21 -2.81 -0.11 0.00 -1.78 0.00 0.00 34.13 29.64 2h6m s GLU 49 CO 0.30 0.39 1.51 0.21 -0.49 0.00 0.00 175.26 177.18 2h6m s LYS 50 N -3.17 4.20 -1.33 1.61 2.20 -1.26 -3.73 119.74 118.25 2h6m s LYS 50 Ca 0.40 2.43 -0.03 0.00 -0.36 0.00 0.00 55.97 58.41 2h6m s LYS 50 Cb -0.11 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.15 2h6m s LYS 50 CO 0.28 -0.52 0.84 -0.25 -0.36 0.00 0.00 175.35 175.33 2h6m n ASP 51 N 2.34 -2.30 -0.14 1.43 8.00 -1.26 -4.88 116.55 119.75 2h6m n ASP 51 Ca 0.08 -0.76 0.04 0.00 0.71 0.00 0.00 54.79 54.86 2h6m n ASP 51 Cb 0.39 -4.29 0.35 0.00 -0.02 0.00 0.00 41.12 37.55 2h6m n ASP 51 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2h6m h TYR 52 N -1.97 0.73 0.00 1.24 -0.00 -1.86 -1.99 116.97 113.12 2h6m h TYR 52 Ca -0.60 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.15 2h6m h TYR 52 Cb 1.36 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 37.84 2h6m h TYR 52 CO 0.48 0.43 0.00 0.93 -0.00 0.00 0.00 178.16 180.00 2h6m h GLU 53 N 0.76 0.00 -0.01 0.10 5.08 -1.90 -0.89 114.58 117.71 2h6m h GLU 53 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2h6m h GLU 53 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2h6m h GLU 53 CO -0.07 0.00 -0.08 -1.33 -1.00 0.00 0.00 179.01 176.53 2h6m n MET 54 N -2.97 1.42 -2.27 2.33 2.81 -0.75 -2.86 117.12 114.82 2h6m n MET 54 Ca -0.00 -0.83 -0.27 0.00 -1.81 0.00 0.00 57.70 54.79 2h6m n MET 54 Cb 0.22 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.29 2h6m n MET 54 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2h6m s MET 55 N -2.15 2.68 -0.15 0.03 -1.94 -0.34 -4.53 119.30 112.90 2h6m s MET 55 Ca 0.34 -0.03 -0.07 0.00 -1.71 0.00 0.00 55.69 54.22 2h6m s MET 55 Cb 0.20 -2.21 -0.04 0.00 2.01 0.00 0.00 34.83 34.79 2h6m s MET 55 CO 0.39 -0.91 0.10 -1.21 -0.01 0.00 0.00 175.02 173.38 2h6m s GLU 56 N -5.12 3.70 -0.08 2.03 0.41 0.11 -1.28 118.70 118.47 2h6m s GLU 56 Ca 0.56 -0.24 -0.07 0.00 -0.41 0.00 0.00 54.97 54.81 2h6m s GLU 56 Cb -0.11 -3.20 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 2h6m s GLU 56 CO 0.46 0.53 0.19 -0.06 -0.49 0.00 0.00 175.26 175.89 2h6m s PHE 57 N -0.34 3.60 -0.02 1.61 0.08 0.57 -1.17 117.98 122.32 2h6m s PHE 57 Ca 0.10 0.56 0.07 0.00 0.12 0.00 0.00 56.93 57.78 2h6m s PHE 57 Cb -0.12 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 2h6m s PHE 57 CO 0.01 0.70 -0.22 0.71 -0.10 0.00 0.00 175.22 176.33 2h6m s TYR 58 N -1.10 1.99 -0.15 0.36 1.51 0.54 -1.29 117.35 119.21 2h6m s TYR 58 Ca 0.19 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 2h6m s TYR 58 Cb -0.13 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.47 2h6m s TYR 58 CO 0.08 -0.05 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.32 2h6m s PHE 59 N -0.48 1.92 -0.39 2.71 0.40 0.16 -0.90 117.98 121.39 2h6m s PHE 59 Ca 0.08 -1.10 -0.13 0.00 -0.60 0.00 0.00 56.93 55.18 2h6m s PHE 59 Cb -0.09 -1.44 0.02 0.00 0.51 0.00 0.00 43.02 42.02 2h6m s PHE 59 CO -0.01 -0.62 0.25 1.21 0.70 0.00 0.00 175.22 176.75 2h6m s ASN 60 N 1.57 5.90 -0.70 1.36 2.47 -0.00 -0.51 114.94 125.03 2h6m s ASN 60 Ca 0.03 -0.96 -0.08 0.00 0.42 0.00 0.00 52.86 52.28 2h6m s ASN 60 Cb -0.14 -2.08 0.18 0.00 -1.45 0.00 0.00 41.25 37.76 2h6m s ASN 60 CO -0.09 -0.41 0.57 -0.60 -3.72 0.00 0.00 177.10 172.85 2h6m s ARG 61 N 1.61 2.99 -1.51 0.43 3.52 0.23 -1.47 118.95 124.75 2h6m s ARG 61 Ca 0.03 -2.45 -0.13 0.00 -0.13 0.00 0.00 55.73 53.05 2h6m s ARG 61 Cb -0.19 -4.04 0.08 0.00 -1.56 0.00 0.00 34.95 29.24 2h6m s ARG 61 CO 0.08 -1.22 0.98 0.41 -0.81 0.00 0.00 175.30 174.74 2h6m n GLY 62 N 3.78 -0.50 1.10 8.12 0.00 -1.26 -1.91 105.19 114.52 2h6m n GLY 62 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2h6m n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6m n GLY 63 N -1.70 0.77 3.53 -0.02 0.00 -1.26 -5.04 105.19 101.47 2h6m n GLY 63 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2h6m n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h6m s THR 64 N -2.65 4.39 -0.11 2.61 2.01 -0.80 -5.10 115.64 115.99 2h6m s THR 64 Ca 0.00 -0.16 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 2h6m s THR 64 Cb 0.00 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 2h6m s THR 64 CO 0.00 0.42 0.02 -0.31 -0.69 0.00 0.00 174.62 174.06 2h6m s TYR 65 N 0.83 3.21 -0.06 4.92 2.02 -1.26 -0.60 117.35 126.41 2h6m s TYR 65 Ca 0.02 0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.92 2h6m s TYR 65 Cb -0.14 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 2h6m s TYR 65 CO 0.02 0.41 -0.14 0.71 -1.57 0.00 0.00 175.55 174.99 2h6m s TYR 66 N -0.63 1.55 0.17 2.71 1.51 0.34 -4.98 117.35 118.01 2h6m s TYR 66 Ca 0.11 -0.53 0.06 0.00 -1.01 0.00 0.00 57.07 55.70 2h6m s TYR 66 Cb -0.12 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 2h6m s TYR 66 CO 0.02 -0.24 -0.12 -1.54 -1.11 0.00 0.00 175.55 172.56 2h6m s SER 67 N 0.43 2.11 -0.12 2.29 1.04 -1.26 0.39 113.70 118.57 2h6m s SER 67 Ca -0.11 -1.00 -0.30 0.00 0.48 0.00 0.00 55.95 55.03 2h6m s SER 67 Cb -0.14 -0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.00 2h6m s SER 67 CO 0.03 -0.26 0.78 -0.51 0.98 0.00 0.00 173.24 174.26 2h6m s ILE 68 N -3.11 0.00 0.30 -1.02 2.07 -0.41 -4.91 121.20 114.12 2h6m s ILE 68 Ca 0.18 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.13 2h6m s ILE 68 Cb 0.01 -1.00 -0.12 0.00 0.13 0.00 0.00 42.46 41.48 2h6m s ILE 68 CO 0.03 0.00 1.58 -0.24 -1.91 0.00 0.00 174.94 174.40 2h6m n SER 69 N 1.22 3.85 0.19 4.50 2.88 -1.26 -0.31 113.62 124.68 2h6m n SER 69 Ca -0.16 1.16 0.16 0.00 -1.33 0.00 0.00 58.87 58.70 2h6m n SER 69 Cb 0.57 -1.60 0.79 0.00 -0.75 0.00 0.00 64.21 63.22 2h6m n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h6m h ALA 70 N 4.57 1.92 0.00 -1.46 0.00 -1.32 0.44 119.26 123.40 2h6m h ALA 70 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2h6m h ALA 70 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2h6m h ALA 70 CO 0.77 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2h6m n GLY 71 N -1.45 -1.14 0.68 0.00 0.00 -1.14 -3.13 105.19 99.01 2h6m n GLY 71 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2h6m n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h6m n ASN 72 N -1.58 2.61 -4.88 1.61 3.02 0.14 -4.92 115.26 111.26 2h6m n ASN 72 Ca 0.04 -1.77 -0.33 0.00 -0.03 0.00 0.00 54.58 52.49 2h6m n ASN 72 Cb 0.21 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.21 2h6m n ASN 72 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2h6m s VAL 73 N -1.11 5.15 -0.28 2.41 -7.23 -1.18 -4.64 120.40 113.52 2h6m s VAL 73 Ca 0.22 0.26 -0.08 0.00 -1.81 0.00 0.00 61.98 60.57 2h6m s VAL 73 Cb 0.13 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.43 2h6m s VAL 73 CO 0.19 0.21 0.11 -0.69 -0.31 0.00 0.00 175.10 174.60 2h6m s VAL 74 N -1.48 4.44 -0.21 1.32 1.01 -0.74 -4.92 120.40 119.82 2h6m s VAL 74 Ca 0.35 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2h6m s VAL 74 Cb -0.13 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 2h6m s VAL 74 CO 0.20 0.21 0.11 -0.63 0.00 0.00 0.00 175.10 175.00 2h6m s ILE 75 N 1.61 5.11 -0.05 2.22 1.01 -1.26 -0.64 121.20 129.20 2h6m s ILE 75 Ca 0.05 0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.83 2h6m s ILE 75 Cb -0.16 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.96 2h6m s ILE 75 CO 0.05 0.40 -0.15 -1.58 0.00 0.00 0.00 174.94 173.66 2h6m s GLN 76 N 0.71 1.78 0.51 2.79 2.00 0.62 -5.00 119.66 123.08 2h6m s GLN 76 Ca 0.06 -0.54 -0.20 0.00 -2.00 0.00 0.00 55.36 52.68 2h6m s GLN 76 Cb -0.13 -1.51 -0.07 0.00 0.80 0.00 0.00 33.01 32.11 2h6m s GLN 76 CO 0.01 0.16 1.08 -1.12 -0.50 0.00 0.00 175.29 174.93 2h6m s SER 77 N 0.26 6.03 0.19 6.67 0.01 -1.26 -0.81 113.70 124.79 2h6m s SER 77 Ca -0.08 2.06 0.09 0.00 1.31 0.00 0.00 55.95 59.32 2h6m s SER 77 Cb -0.13 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.55 2h6m s SER 77 CO 0.03 -1.00 1.41 -0.07 0.41 0.00 0.00 173.24 174.02 2h6m h LEU 78 N 1.39 0.00 0.00 2.44 3.38 -1.91 -3.46 115.31 117.15 2h6m h LEU 78 Ca -0.50 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.58 2h6m h LEU 78 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2h6m h LEU 78 CO 0.58 0.83 0.49 -0.67 0.09 0.00 0.00 178.44 179.76 2h6m n ASP 79 N -3.51 -1.78 -4.76 -0.43 2.03 -1.26 -4.80 116.55 102.03 2h6m n ASP 79 Ca -0.00 -2.02 -0.37 0.00 0.52 0.00 0.00 54.79 52.91 2h6m n ASP 79 Cb 0.81 2.92 0.02 0.00 -0.72 0.00 0.00 41.12 44.14 2h6m n ASP 79 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2h6m s VAL 80 N -2.10 2.67 0.00 5.18 -7.23 -1.26 -4.84 120.40 112.82 2h6m s VAL 80 Ca 0.20 0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 2h6m s VAL 80 Cb -0.03 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2h6m s VAL 80 CO 0.07 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 2h6m n GLY 81 N 0.53 -2.22 3.64 2.32 0.00 -1.26 -4.81 105.19 103.40 2h6m n GLY 81 Ca 0.10 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 2h6m n GLY 81 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2h6m s PHE 82 N -0.40 3.33 -0.13 1.61 5.36 -1.26 -4.91 117.98 121.58 2h6m s PHE 82 Ca 0.00 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 56.90 2h6m s PHE 82 Cb 0.00 -2.86 0.02 0.00 -0.34 0.00 0.00 43.02 39.84 2h6m s PHE 82 CO 0.00 -0.27 0.75 1.04 -1.46 0.00 0.00 175.22 175.28 2h6m n GLN 83 N 5.47 0.85 0.00 10.12 1.13 -1.26 -4.42 117.38 129.27 2h6m n GLN 83 Ca 0.00 -1.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.05 2h6m n GLN 83 Cb 0.49 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.81 2h6m n GLN 83 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2h6m n ASP 84 N -0.14 0.00 -4.73 1.08 -0.08 -1.26 -4.84 116.55 106.59 2h6m n ASP 84 Ca 0.01 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.87 2h6m n ASP 84 Cb 0.14 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.57 2h6m n ASP 84 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2h6m s VAL 85 N 0.00 2.29 0.24 5.18 1.01 -1.26 -0.12 120.40 127.73 2h6m s VAL 85 Ca 0.00 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.26 2h6m s VAL 85 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2h6m s VAL 85 CO 0.00 0.02 -0.09 0.68 0.00 0.00 0.00 175.10 175.71 2h6m s VAL 86 N 0.83 1.61 -0.01 2.92 -7.23 -0.43 -4.45 120.40 113.64 2h6m s VAL 86 Ca 0.70 -2.15 -0.20 0.00 -1.81 0.00 0.00 61.98 58.52 2h6m s VAL 86 Cb -0.47 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 2h6m s VAL 86 CO 0.36 -0.44 0.56 -0.76 -0.31 0.00 0.00 175.10 174.51 2h6m s LEU 87 N -3.37 4.42 -0.08 1.32 1.43 0.01 -1.74 118.68 120.68 2h6m s LEU 87 Ca 0.26 1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 54.47 2h6m s LEU 87 Cb 0.02 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.40 2h6m s LEU 87 CO 0.09 0.13 -0.03 -0.32 0.23 0.00 0.00 176.35 176.45 2h6m s MET 88 N -0.29 0.92 -0.22 1.70 1.75 0.76 -0.27 119.30 123.65 2h6m s MET 88 Ca 0.30 -0.04 -0.18 0.00 -1.25 0.00 0.00 55.69 54.52 2h6m s MET 88 Cb -0.18 -1.12 -0.03 0.00 2.84 0.00 0.00 34.83 36.34 2h6m s MET 88 CO 0.16 -0.24 0.49 0.21 -0.65 0.00 0.00 175.02 174.99 2h6m s LYS 89 N 1.66 4.15 -0.40 4.11 2.20 0.19 -0.55 119.74 131.09 2h6m s LYS 89 Ca 0.01 0.34 0.04 0.00 -0.36 0.00 0.00 55.97 56.00 2h6m s LYS 89 Cb -0.13 -3.58 0.11 0.00 -1.51 0.00 0.00 37.83 32.72 2h6m s LYS 89 CO -0.05 -0.18 0.13 0.08 -0.36 0.00 0.00 175.35 174.98 2h6m s VAL 90 N 1.73 2.30 0.58 4.02 1.01 0.03 -1.79 120.40 128.28 2h6m s VAL 90 Ca 0.22 -2.65 0.28 0.00 0.00 0.00 0.00 61.98 59.83 2h6m s VAL 90 Cb -0.15 -2.66 0.37 0.00 0.00 0.00 0.00 36.38 33.93 2h6m s VAL 90 CO 0.09 -0.68 2.05 -0.65 0.00 0.00 0.00 175.10 175.91 2h6m h PRO 91 N 7.22 0.00 -0.01 2.72 0.11 -1.84 -1.71 132.00 138.50 2h6m h PRO 91 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2h6m h PRO 91 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2h6m h PRO 91 CO 0.57 0.00 -0.21 0.25 -0.21 0.00 0.00 178.00 178.40 2h6m n THR 92 N -3.89 0.00 -2.95 -1.15 -2.24 -1.26 -4.90 114.28 97.88 2h6m n THR 92 Ca 0.04 -0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.34 2h6m n THR 92 Cb 0.42 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 2h6m n THR 92 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2h6m s ILE 93 N -2.52 4.37 0.45 2.28 1.10 -0.64 -4.95 121.20 121.29 2h6m s ILE 93 Ca 0.25 1.62 -0.24 0.00 -0.51 0.00 0.00 60.65 61.76 2h6m s ILE 93 Cb 0.19 -4.02 -0.08 0.00 0.15 0.00 0.00 42.46 38.71 2h6m s ILE 93 CO 0.51 0.30 1.31 -2.84 -2.11 0.00 0.00 174.94 172.11 2h6m s PRO 94 N -1.70 3.72 0.24 3.50 0.02 -1.26 -4.88 135.00 134.64 2h6m s PRO 94 Ca 0.43 2.15 -0.30 0.00 0.02 0.00 0.00 61.00 63.29 2h6m s PRO 94 Cb -0.20 -2.58 -0.15 0.00 0.02 0.00 0.00 34.50 31.60 2h6m s PRO 94 CO 0.24 -0.70 1.13 1.17 -0.33 0.00 0.00 177.00 178.51 2h6m n LYS 95 N -0.26 1.38 -3.42 5.54 4.81 -1.26 -4.86 118.16 120.09 2h6m n LYS 95 Ca 0.06 0.49 -0.31 0.00 -0.87 0.00 0.00 58.31 57.68 2h6m n LYS 95 Cb 0.44 -1.95 -0.05 0.00 0.02 0.00 0.00 35.03 33.49 2h6m n LYS 95 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2h6m s PHE 96 N -0.57 3.44 0.22 5.64 0.08 0.26 -4.96 117.98 122.09 2h6m s PHE 96 Ca 0.66 0.79 -0.32 0.00 0.12 0.00 0.00 56.93 58.18 2h6m s PHE 96 Cb -0.75 -2.20 -0.13 0.00 -0.57 0.00 0.00 43.02 39.37 2h6m s PHE 96 CO 0.55 0.26 1.56 -2.13 -0.10 0.00 0.00 175.22 175.37 2h6m n ARG 97 N -0.29 2.35 -2.21 0.44 0.63 -1.26 -3.67 116.66 112.65 2h6m n ARG 97 Ca -0.00 0.84 -0.43 0.00 -0.92 0.00 0.00 57.85 57.34 2h6m n ARG 97 Cb 0.53 -2.60 -0.02 0.00 0.45 0.00 0.00 32.46 30.81 2h6m n ARG 97 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2h6m s ASP 98 N 0.71 6.09 -0.04 6.15 -1.08 -1.26 -4.32 116.67 122.93 2h6m s ASP 98 Ca 0.72 0.91 0.13 0.00 -0.52 0.00 0.00 52.55 53.79 2h6m s ASP 98 Cb -0.60 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 38.72 2h6m s ASP 98 CO 0.42 -1.62 1.33 2.30 0.52 0.00 0.00 175.17 178.13 2h6m n ILE 99 N 7.19 1.26 0.17 4.11 -5.35 -0.04 -4.71 119.36 121.99 2h6m n ILE 99 Ca 0.19 -1.15 0.06 0.00 -0.27 0.00 0.00 62.75 61.57 2h6m n ILE 99 Cb 0.48 0.36 0.53 0.00 -1.74 0.00 0.00 39.64 39.27 2h6m n ILE 99 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2h6m h THR 100 N 2.34 1.07 0.00 7.28 1.35 -1.88 -1.83 112.91 121.23 2h6m h THR 100 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2h6m h THR 100 Cb 0.92 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2h6m h THR 100 CO 0.05 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 2h6m n GLN 101 N -4.46 0.21 0.00 4.72 1.13 -1.26 -2.14 117.38 115.57 2h6m n GLN 101 Ca -0.01 0.10 0.13 0.00 -1.94 0.00 0.00 57.00 55.27 2h6m n GLN 101 Cb 0.12 -1.50 0.30 0.00 0.11 0.00 0.00 30.24 29.27 2h6m n GLN 101 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2h6m n HIS 102 N -1.36 0.00 -2.74 1.08 8.25 -0.69 -4.91 115.22 114.86 2h6m n HIS 102 Ca 0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.22 2h6m n HIS 102 Cb 0.20 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 2h6m n HIS 102 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2h6m s PHE 103 N -2.41 3.38 0.37 4.41 0.40 -0.91 -0.38 117.98 122.84 2h6m s PHE 103 Ca 0.25 1.45 -0.28 0.00 -0.60 0.00 0.00 56.93 57.75 2h6m s PHE 103 Cb 0.19 -2.74 -0.10 0.00 0.51 0.00 0.00 43.02 40.88 2h6m s PHE 103 CO 0.50 -0.16 1.38 -1.50 0.70 0.00 0.00 175.22 176.14 2h6m s ILE 104 N -2.30 2.41 0.31 0.64 2.07 0.20 -4.41 121.20 120.11 2h6m s ILE 104 Ca 0.59 0.40 -0.28 0.00 -1.41 0.00 0.00 60.65 59.95 2h6m s ILE 104 Cb -0.10 -3.25 -0.09 0.00 0.13 0.00 0.00 42.46 39.15 2h6m s ILE 104 CO 0.21 0.08 1.01 -0.54 -1.91 0.00 0.00 174.94 173.80 2h6m s LYS 105 N -2.05 4.57 0.25 3.50 1.02 -1.26 -0.68 119.74 125.09 2h6m s LYS 105 Ca 0.53 1.55 -0.06 0.00 0.02 0.00 0.00 55.97 58.01 2h6m s LYS 105 Cb -0.42 -2.97 0.47 0.00 -0.52 0.00 0.00 37.83 34.39 2h6m s LYS 105 CO 0.56 0.22 1.65 -0.22 -0.92 0.00 0.00 175.35 176.64 2h6m h LYS 106 N 3.44 0.15 0.00 1.68 1.63 -1.95 0.76 116.57 122.28 2h6m h LYS 106 Ca -0.47 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2h6m h LYS 106 Cb 1.20 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2h6m h LYS 106 CO 0.66 0.10 -0.01 0.78 -3.45 0.00 0.00 179.45 177.52 2h6m h GLY 107 N 0.16 0.00 -1.33 5.01 0.00 -2.04 -2.60 103.07 102.26 2h6m h GLY 107 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2h6m h GLY 107 CO -0.62 0.00 -0.00 1.22 0.00 0.00 0.00 176.54 177.14 2h6m n ASP 108 N -3.23 2.39 -0.24 0.19 8.00 0.25 -4.51 116.55 119.40 2h6m n ASP 108 Ca -0.02 -1.80 0.05 0.00 0.71 0.00 0.00 54.79 53.73 2h6m n ASP 108 Cb 0.13 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.38 2h6m n ASP 108 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2h6m h VAL 109 N 3.75 0.42 -0.20 2.53 2.07 -1.39 -0.52 116.25 122.91 2h6m h VAL 109 Ca 0.00 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.53 2h6m h VAL 109 Cb 0.80 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2h6m h VAL 109 CO 0.00 0.03 0.23 -0.65 0.02 0.00 0.00 177.57 177.20 2h6m h PRO 110 N 0.15 0.00 0.00 1.57 0.11 -1.84 -1.59 132.00 130.40 2h6m h PRO 110 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 2h6m h PRO 110 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2h6m h PRO 110 CO -0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.20 2h6m h ARG 111 N 0.00 0.00 0.00 1.05 3.08 -1.42 -2.90 114.38 114.19 2h6m h ARG 111 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2h6m h ARG 111 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2h6m h ARG 111 CO -0.00 0.00 -1.10 0.00 -1.07 0.00 0.00 179.97 177.79 2h6m n ALA 112 N -1.84 3.21 -1.76 0.04 0.00 -0.60 -4.92 120.51 114.64 2h6m n ALA 112 Ca 0.03 -0.39 -0.37 0.00 0.00 0.00 0.00 53.44 52.71 2h6m n ALA 112 Cb 0.31 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.80 2h6m n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h6m s LEU 113 N -4.20 3.86 -1.09 0.00 1.43 -1.10 -3.25 118.68 114.34 2h6m s LEU 113 Ca 0.02 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 2h6m s LEU 113 Cb 0.14 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 42.00 2h6m s LEU 113 CO 0.81 -1.32 0.00 0.59 0.23 0.00 0.00 176.35 176.66 2h6m n ASN 114 N -0.98 -4.92 -4.30 2.29 3.02 0.93 -4.85 115.26 106.45 2h6m n ASN 114 Ca 0.10 0.25 -0.21 0.00 -0.03 0.00 0.00 54.58 54.69 2h6m n ASN 114 Cb 0.47 -3.32 -0.11 0.00 -0.61 0.00 0.00 39.78 36.21 2h6m n ASN 114 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2h6m s ARG 115 N -2.69 1.17 0.91 3.52 0.52 -1.20 -4.69 118.95 116.49 2h6m s ARG 115 Ca 0.00 -1.31 -0.10 0.00 -0.52 0.00 0.00 55.73 53.80 2h6m s ARG 115 Cb 0.00 -1.22 0.14 0.00 0.52 0.00 0.00 34.95 34.39 2h6m s ARG 115 CO 0.00 0.25 1.12 -0.51 0.02 0.00 0.00 175.30 176.18 2h6m s LEU 116 N -2.44 2.65 0.21 2.53 1.43 -1.26 -1.68 118.68 120.12 2h6m s LEU 116 Ca 0.12 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 2h6m s LEU 116 Cb -0.06 -4.41 -0.00 0.00 0.03 0.00 0.00 46.19 41.75 2h6m s LEU 116 CO 0.05 -2.96 0.41 0.00 0.23 0.00 0.00 176.35 174.07 2h6m s ALA 117 N -2.70 -0.19 -0.09 4.21 0.00 -0.90 -1.84 121.76 120.25 2h6m s ALA 117 Ca 0.66 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.81 2h6m s ALA 117 Cb -0.21 0.99 0.01 0.00 0.00 0.00 0.00 23.12 23.91 2h6m s ALA 117 CO 0.58 -0.77 -0.14 0.99 0.00 0.00 0.00 175.76 176.42 2h6m s THR 118 N -3.99 1.34 -0.25 0.00 2.01 0.20 -0.66 115.64 114.29 2h6m s THR 118 Ca 0.20 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.38 2h6m s THR 118 Cb 0.01 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.29 2h6m s THR 118 CO 0.05 0.41 0.85 -0.22 -0.69 0.00 0.00 174.62 175.02 2h6m s LEU 119 N 0.88 4.08 -0.40 4.42 2.96 0.72 -0.50 118.68 130.84 2h6m s LEU 119 Ca -0.10 1.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.75 2h6m s LEU 119 Cb -0.15 -3.23 0.05 0.00 0.50 0.00 0.00 46.19 43.36 2h6m s LEU 119 CO 0.01 -0.55 0.24 -0.69 -1.32 0.00 0.00 176.35 174.04 2h6m s VAL 120 N 2.91 4.54 0.09 1.68 1.01 0.63 -0.78 120.40 130.48 2h6m s VAL 120 Ca 0.36 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2h6m s VAL 120 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2h6m s VAL 120 CO 0.08 -0.36 0.12 1.07 0.00 0.00 0.00 175.10 176.01 2h6m n THR 121 N 5.00 0.00 -4.17 3.92 5.66 -0.81 -0.81 114.28 123.06 2h6m n THR 121 Ca -0.11 -0.45 -0.11 0.00 -3.05 0.00 0.00 64.05 60.33 2h6m n THR 121 Cb 0.45 0.27 -0.10 0.00 -1.55 0.00 0.00 70.33 69.40 2h6m n THR 121 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2h6m s THR 122 N -2.52 0.38 -0.26 1.09 -4.23 -1.26 -0.95 115.64 107.89 2h6m s THR 122 Ca 0.07 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 58.62 2h6m s THR 122 Cb -0.00 -1.95 0.02 0.00 1.34 0.00 0.00 72.50 71.90 2h6m s THR 122 CO 0.05 -0.60 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.84 2h6m s VAL 123 N -3.85 3.30 -1.25 2.29 1.01 -0.78 -3.92 120.40 117.21 2h6m s VAL 123 Ca 0.20 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2h6m s VAL 123 Cb 0.07 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2h6m s VAL 123 CO -0.00 0.17 0.04 -3.20 0.00 0.00 0.00 175.10 172.10 2h6m n ASN 124 N 4.75 0.50 0.00 3.32 5.15 -1.26 -1.57 115.26 126.14 2h6m n ASN 124 Ca -0.16 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 2h6m n ASN 124 Cb 0.48 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 2h6m n ASN 124 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2h6m n GLY 125 N -2.27 2.26 3.63 8.20 0.00 -1.26 -5.03 105.19 110.71 2h6m n GLY 125 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2h6m n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h6m s THR 126 N -2.44 4.53 0.34 2.61 2.01 -0.61 -4.96 115.64 117.12 2h6m s THR 126 Ca 0.00 1.53 -0.27 0.00 0.31 0.00 0.00 61.69 63.26 2h6m s THR 126 Cb 0.00 -4.38 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 2h6m s THR 126 CO 0.00 -0.51 1.16 -2.84 -0.69 0.00 0.00 174.62 171.74 2h6m s PRO 127 N 3.60 4.33 -0.00 4.92 0.02 -1.26 -1.86 135.00 144.74 2h6m s PRO 127 Ca 0.43 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 2h6m s PRO 127 Cb -0.12 -2.92 -0.00 0.00 0.02 0.00 0.00 34.50 31.48 2h6m s PRO 127 CO 0.17 -0.09 0.03 -1.64 -0.33 0.00 0.00 177.00 175.14 2h6m s MET 128 N -1.92 0.13 -0.24 5.54 -1.94 -0.12 -4.94 119.30 115.82 2h6m s MET 128 Ca 0.51 -0.14 -0.05 0.00 -1.71 0.00 0.00 55.69 54.30 2h6m s MET 128 Cb -0.32 0.05 -0.01 0.00 2.01 0.00 0.00 34.83 36.56 2h6m s MET 128 CO 0.41 -0.02 0.00 -0.51 -0.01 0.00 0.00 175.02 174.89 2h6m s LEU 129 N -0.42 3.18 -0.23 -0.03 1.43 -1.26 -1.92 118.68 119.42 2h6m s LEU 129 Ca -0.05 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2h6m s LEU 129 Cb -0.03 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2h6m s LEU 129 CO -0.00 -0.05 -0.07 -0.63 0.23 0.00 0.00 176.35 175.83 2h6m s ILE 130 N 1.51 3.01 0.25 -0.59 -1.09 0.04 -4.95 121.20 119.37 2h6m s ILE 130 Ca 0.05 -0.77 -0.30 0.00 -2.23 0.00 0.00 60.65 57.40 2h6m s ILE 130 Cb -0.15 -2.42 -0.09 0.00 -1.58 0.00 0.00 42.46 38.21 2h6m s ILE 130 CO -0.01 0.34 1.28 -0.44 -1.23 0.00 0.00 174.94 174.89 2h6m s SER 131 N 1.39 6.91 -0.04 3.58 0.01 -1.26 -0.20 113.70 124.09 2h6m s SER 131 Ca 0.03 2.47 0.06 0.00 1.31 0.00 0.00 55.95 59.82 2h6m s SER 131 Cb -0.15 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 2h6m s SER 131 CO -0.05 -0.48 -0.21 -1.61 0.41 0.00 0.00 173.24 171.29 2h6m s GLU 132 N -0.75 2.06 1.09 12.44 2.02 0.17 -4.54 118.70 131.19 2h6m s GLU 132 Ca 0.53 -0.77 -0.18 0.00 0.02 0.00 0.00 54.97 54.57 2h6m s GLU 132 Cb -0.37 -1.82 0.27 0.00 0.10 0.00 0.00 34.13 32.31 2h6m s GLU 132 CO 0.43 0.36 1.01 0.41 0.02 0.00 0.00 175.26 177.48 2h6m n GLY 133 N 2.89 -2.63 3.65 -1.39 0.00 0.87 -2.11 105.19 106.47 2h6m n GLY 133 Ca -0.17 -1.51 -0.47 0.00 0.00 0.00 0.00 46.02 43.87 2h6m n GLY 133 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2h6m n PRO 134 N -4.43 1.92 -2.87 1.61 -0.02 -1.26 -4.38 135.00 125.57 2h6m n PRO 134 Ca 0.14 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.93 2h6m n PRO 134 Cb 0.53 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 2h6m n PRO 134 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2h6m s LEU 135 N 0.69 4.44 0.33 2.45 1.43 -0.68 -4.63 118.68 122.72 2h6m s LEU 135 Ca 0.78 1.75 0.10 0.00 -1.03 0.00 0.00 54.13 55.73 2h6m s LEU 135 Cb -0.73 -3.74 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 2h6m s LEU 135 CO 0.42 0.04 -0.12 -0.54 0.23 0.00 0.00 176.35 176.38 2h6m s LYS 136 N -1.72 1.79 -0.18 1.70 -0.14 -0.43 -0.05 119.74 120.71 2h6m s LYS 136 Ca 0.45 -1.88 -0.01 0.00 -1.36 0.00 0.00 55.97 53.16 2h6m s LYS 136 Cb -0.20 -1.73 -0.00 0.00 -1.68 0.00 0.00 37.83 34.21 2h6m s LYS 136 CO 0.25 0.19 -0.13 1.41 -0.76 0.00 0.00 175.35 176.32 2h6m s MET 137 N -3.59 3.23 -0.22 1.68 -2.45 -1.26 -0.80 119.30 115.89 2h6m s MET 137 Ca 0.32 -0.73 -0.13 0.00 -1.25 0.00 0.00 55.69 53.91 2h6m s MET 137 Cb 0.00 -2.72 -0.05 0.00 1.25 0.00 0.00 34.83 33.32 2h6m s MET 137 CO 0.16 -0.07 0.26 -1.21 1.05 0.00 0.00 175.02 175.21 2h6m s GLU 138 N 1.05 4.13 0.32 4.11 0.41 -0.25 -4.96 118.70 123.51 2h6m s GLU 138 Ca -0.01 -0.06 0.02 0.00 -0.41 0.00 0.00 54.97 54.52 2h6m s GLU 138 Cb -0.15 -3.53 0.55 0.00 -1.78 0.00 0.00 34.13 29.22 2h6m s GLU 138 CO -0.03 0.04 1.89 0.93 -0.49 0.00 0.00 175.26 177.60 2h6m h GLU 139 N 7.38 0.69 -4.26 1.61 4.39 -1.93 -1.45 114.58 120.99 2h6m h GLU 139 Ca -0.37 -0.12 -0.42 0.00 0.34 0.00 0.00 59.36 58.78 2h6m h GLU 139 Cb 1.17 -0.11 -0.33 0.00 -0.10 0.00 0.00 28.75 29.37 2h6m h GLU 139 CO 0.69 0.61 -0.78 0.15 -1.16 0.00 0.00 179.01 178.52 2h6m s LYS 140 N -5.20 0.98 -0.04 2.33 1.02 -1.26 -0.85 119.74 116.72 2h6m s LYS 140 Ca -0.09 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 55.75 2h6m s LYS 140 Cb 0.16 -0.92 -0.01 0.00 -0.52 0.00 0.00 37.83 36.54 2h6m s LYS 140 CO 0.78 -0.00 -0.22 0.00 -0.92 0.00 0.00 175.35 174.98 2h6m s ALA 141 N 0.63 1.91 -0.04 5.17 0.00 -0.45 -4.96 121.76 124.01 2h6m s ALA 141 Ca -0.09 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 50.99 2h6m s ALA 141 Cb -0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2h6m s ALA 141 CO 0.01 0.40 -0.24 0.99 0.00 0.00 0.00 175.76 176.92 2h6m s THR 142 N -0.25 1.94 0.07 0.00 2.01 -1.26 -1.10 115.64 117.05 2h6m s THR 142 Ca 0.01 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 60.91 2h6m s THR 142 Cb -0.11 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 2h6m s THR 142 CO 0.02 0.54 0.15 -0.72 -0.69 0.00 0.00 174.62 173.92 2h6m s TYR 143 N -0.29 0.19 -0.23 4.92 -0.85 -0.07 -4.97 117.35 116.06 2h6m s TYR 143 Ca 0.01 -0.60 -0.11 0.00 -0.52 0.00 0.00 57.07 55.85 2h6m s TYR 143 Cb -0.12 -0.11 -0.05 0.00 0.38 0.00 0.00 41.96 42.06 2h6m s TYR 143 CO 0.02 -0.49 0.19 0.54 -1.52 0.00 0.00 175.55 174.30 2h6m s VAL 144 N -3.55 5.34 -0.20 -3.49 0.11 -1.26 -0.37 120.40 116.98 2h6m s VAL 144 Ca 0.03 0.27 -0.07 0.00 -2.93 0.00 0.00 61.98 59.27 2h6m s VAL 144 Cb 0.04 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.32 2h6m s VAL 144 CO -0.09 0.34 0.07 -2.28 -3.33 0.00 0.00 175.10 169.81 2h6m s HIS 145 N 0.99 3.19 -0.21 1.54 2.46 0.08 -4.96 115.29 118.37 2h6m s HIS 145 Ca 0.09 -0.07 -0.18 0.00 0.47 0.00 0.00 55.06 55.37 2h6m s HIS 145 Cb -0.13 -2.13 -0.03 0.00 -0.13 0.00 0.00 32.58 30.15 2h6m s HIS 145 CO 0.04 -0.01 0.52 0.21 -2.47 0.00 0.00 174.74 173.03 2h6m s LYS 146 N 0.78 4.16 0.84 2.88 2.20 -1.26 -1.55 119.74 127.80 2h6m s LYS 146 Ca 0.03 0.40 -0.11 0.00 -0.36 0.00 0.00 55.97 55.93 2h6m s LYS 146 Cb -0.13 -3.58 0.14 0.00 -1.51 0.00 0.00 37.83 32.74 2h6m s LYS 146 CO 0.02 -0.19 1.18 0.15 -0.36 0.00 0.00 175.35 176.15 2h6m s LYS 147 N 1.79 1.39 0.35 4.03 1.02 -0.48 -4.97 119.74 122.87 2h6m s LYS 147 Ca 0.23 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 55.87 2h6m s LYS 147 Cb -0.15 -2.01 0.64 0.00 -0.52 0.00 0.00 37.83 35.78 2h6m s LYS 147 CO 0.09 -1.86 1.99 -0.91 -0.92 0.00 0.00 175.35 173.74 2h6m h ASN 148 N -1.14 0.68 1.47 2.83 2.35 -1.96 -2.77 115.58 117.05 2h6m h ASN 148 Ca -0.43 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 2h6m h ASN 148 Cb 1.28 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.47 2h6m h ASN 148 CO 0.49 0.53 -0.15 -2.24 -1.65 0.00 0.00 177.43 174.41 2h6m h ASP 149 N 0.79 0.00 0.00 5.81 2.03 -2.01 -3.47 116.42 119.57 2h6m h ASP 149 Ca 0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 2h6m h ASP 149 Cb -0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 2h6m h ASP 149 CO -0.04 0.15 0.00 0.61 -1.03 0.00 0.00 179.24 178.93 2h6m n GLY 150 N 0.71 1.57 3.73 7.15 0.00 -1.04 -5.11 105.19 112.19 2h6m n GLY 150 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2h6m n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2h6m s THR 151 N -1.61 2.70 0.18 2.61 -4.23 -1.26 -4.66 115.64 109.37 2h6m s THR 151 Ca 0.00 0.25 0.10 0.00 -1.18 0.00 0.00 61.69 60.87 2h6m s THR 151 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2h6m s THR 151 CO 0.00 -0.27 -0.21 0.42 -0.54 0.00 0.00 174.62 174.02 2h6m s THR 152 N -2.61 2.10 -0.01 3.99 -4.23 -1.26 -1.38 115.64 112.25 2h6m s THR 152 Ca 0.66 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 2h6m s THR 152 Cb -0.21 -1.99 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 2h6m s THR 152 CO 0.53 -0.21 -0.13 0.68 -0.54 0.00 0.00 174.62 174.96 2h6m s VAL 153 N -1.85 1.01 -0.13 2.29 -7.23 -0.59 -4.98 120.40 108.92 2h6m s VAL 153 Ca 0.18 -0.57 -0.22 0.00 -1.81 0.00 0.00 61.98 59.56 2h6m s VAL 153 Cb -0.07 -0.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 2h6m s VAL 153 CO 0.08 0.26 0.65 -1.81 -0.31 0.00 0.00 175.10 173.98 2h6m s ASP 154 N -0.35 6.83 -0.08 4.85 -0.00 -1.26 -0.74 116.67 125.91 2h6m s ASP 154 Ca 0.05 1.00 0.02 0.00 -0.00 0.00 0.00 52.55 53.62 2h6m s ASP 154 Cb -0.05 -2.37 -0.02 0.00 -0.00 0.00 0.00 42.92 40.47 2h6m s ASP 154 CO -0.00 -0.18 -0.13 -0.76 -0.00 0.00 0.00 175.17 174.10 2h6m s LEU 155 N 1.28 2.79 -0.07 1.23 1.43 0.51 -4.96 118.68 120.88 2h6m s LEU 155 Ca 0.33 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2h6m s LEU 155 Cb -0.16 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2h6m s LEU 155 CO 0.14 0.29 -0.17 -0.89 0.23 0.00 0.00 176.35 175.94 2h6m s THR 156 N -0.38 1.51 0.27 5.49 2.01 -1.26 -0.89 115.64 122.39 2h6m s THR 156 Ca 0.04 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.43 2h6m s THR 156 Cb -0.12 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 2h6m s THR 156 CO 0.02 0.44 -0.14 0.68 -0.69 0.00 0.00 174.62 174.93 2h6m s VAL 157 N 0.43 2.06 0.06 3.82 -7.23 -0.26 -4.76 120.40 114.52 2h6m s VAL 157 Ca -0.14 -2.27 -0.14 0.00 -1.81 0.00 0.00 61.98 57.62 2h6m s VAL 157 Cb -0.16 -2.30 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 2h6m s VAL 157 CO 0.05 -0.41 0.46 -1.81 -0.31 0.00 0.00 175.10 173.08 2h6m s ASP 158 N -3.45 6.82 -0.33 4.85 1.01 -1.26 -1.34 116.67 122.97 2h6m s ASP 158 Ca 0.28 1.00 -0.10 0.00 0.71 0.00 0.00 52.55 54.44 2h6m s ASP 158 Cb -0.01 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.67 2h6m s ASP 158 CO 0.12 0.24 0.29 0.00 0.21 0.00 0.00 175.17 176.03 2h6m n GLN 159 N 1.41 -2.55 -4.59 8.23 6.02 -0.03 -4.65 117.38 121.21 2h6m n GLN 159 Ca -0.10 2.17 -0.24 0.00 -0.01 0.00 0.00 57.00 58.81 2h6m n GLN 159 Cb 0.52 -4.60 -0.16 0.00 1.02 0.00 0.00 30.24 27.02 2h6m n GLN 159 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2h6m s ALA 160 N -1.89 1.25 0.41 -1.58 0.00 -0.55 -1.30 121.76 118.10 2h6m s ALA 160 Ca 0.13 -0.43 -0.25 0.00 0.00 0.00 0.00 51.96 51.41 2h6m s ALA 160 Cb -0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 23.12 22.47 2h6m s ALA 160 CO 0.69 0.13 1.24 -1.58 0.00 0.00 0.00 175.76 176.25 2h6m s TRP 161 N 0.56 2.90 -0.07 0.00 0.52 0.80 -1.09 118.94 122.56 2h6m s TRP 161 Ca -0.13 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.48 2h6m s TRP 161 Cb -0.15 -3.55 0.02 0.00 -1.15 0.00 0.00 33.47 28.64 2h6m s TRP 161 CO 0.03 -1.78 -0.09 1.03 0.02 0.00 0.00 176.95 176.16 2h6m s ARG 162 N -2.31 1.40 -0.00 4.98 0.52 0.02 -1.73 118.95 121.84 2h6m s ARG 162 Ca 0.58 -0.29 -0.05 0.00 -0.52 0.00 0.00 55.73 55.45 2h6m s ARG 162 Cb -0.35 -1.26 -0.00 0.00 0.52 0.00 0.00 34.95 33.86 2h6m s ARG 162 CO 0.44 -0.06 0.10 0.20 0.02 0.00 0.00 175.30 176.00 2h6m s GLY 163 N 0.92 0.06 0.17 -3.53 0.00 -0.59 -1.32 107.32 103.03 2h6m s GLY 163 Ca -0.10 -0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.16 2h6m s GLY 163 CO 0.01 -0.25 1.41 1.25 0.00 0.00 0.00 173.10 175.52 2h6m s LYS 164 N -1.13 4.31 0.00 2.90 2.20 -1.26 -0.04 119.74 126.72 2h6m s LYS 164 Ca -0.12 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 2h6m s LYS 164 Cb -0.07 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2h6m s LYS 164 CO 0.01 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 2h6m n GLY 165 N 3.05 0.67 3.19 5.54 0.00 -0.34 -0.09 105.19 117.21 2h6m n GLY 165 Ca 0.10 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 2h6m n GLY 165 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h6m s GLU 166 N -2.00 2.75 0.48 1.61 0.41 -1.26 -3.10 118.70 117.59 2h6m s GLU 166 Ca 0.00 -1.04 0.06 0.00 -0.41 0.00 0.00 54.97 53.58 2h6m s GLU 166 Cb 0.00 -3.01 -0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2h6m s GLU 166 CO 0.00 -0.44 0.30 0.20 -0.49 0.00 0.00 175.26 174.83 2h6m s GLY 167 N 1.31 2.39 0.08 -1.39 0.00 -1.26 -4.97 107.32 103.47 2h6m s GLY 167 Ca -0.01 -1.53 0.02 0.00 0.00 0.00 0.00 44.72 43.20 2h6m s GLY 167 CO -0.04 -1.92 -0.06 1.08 0.00 0.00 0.00 173.10 172.16 2h6m s LEU 168 N -4.11 2.44 0.25 0.66 1.43 -1.26 -5.03 118.68 113.06 2h6m s LEU 168 Ca 0.36 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2h6m s LEU 168 Cb -0.00 -0.07 -0.14 0.00 0.03 0.00 0.00 46.19 46.01 2h6m s LEU 168 CO 0.21 -0.41 1.18 -2.65 0.23 0.00 0.00 176.35 174.91 2h6m n PRO 169 N 0.39 1.55 0.00 1.29 -0.02 -1.26 -2.27 135.00 134.68 2h6m n PRO 169 Ca -0.15 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2h6m n PRO 169 Cb 0.59 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2h6m n PRO 169 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6m n GLY 170 N 1.63 2.01 0.09 -1.23 0.00 -1.26 -4.91 105.19 101.52 2h6m n GLY 170 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 2h6m n GLY 170 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2h6m n MET 171 N -1.94 0.20 -1.61 1.61 2.81 -0.96 -3.98 117.12 113.26 2h6m n MET 171 Ca 0.00 0.23 -0.38 0.00 -1.81 0.00 0.00 57.70 55.74 2h6m n MET 171 Cb 0.00 -1.77 0.05 0.00 -0.71 0.00 0.00 33.22 30.79 2h6m n MET 171 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2h6m n GLY 173 N 1.29 2.25 3.68 0.00 0.00 0.05 -1.36 105.19 111.10 2h6m n GLY 173 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2h6m n GLY 173 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h6m s GLY 174 N -2.01 1.61 -0.13 -0.02 0.00 -0.98 -4.29 107.32 101.50 2h6m s GLY 174 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.61 2h6m s GLY 174 CO 0.00 0.46 0.01 0.00 0.00 0.00 0.00 173.10 173.57 2h6m s ALA 175 N -2.86 3.25 -0.10 3.20 0.00 0.01 -0.83 121.76 124.42 2h6m s ALA 175 Ca 0.65 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 51.59 2h6m s ALA 175 Cb -0.19 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 2h6m s ALA 175 CO 0.58 0.39 0.69 -1.17 0.00 0.00 0.00 175.76 176.25 2h6m s LEU 176 N -0.26 4.27 -0.15 0.00 2.96 -0.18 -0.27 118.68 125.06 2h6m s LEU 176 Ca 0.06 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 2h6m s LEU 176 Cb -0.12 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.53 2h6m s LEU 176 CO 0.02 -0.16 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.00 2h6m s VAL 177 N 1.09 1.94 0.45 1.68 1.01 0.34 0.37 120.40 127.28 2h6m s VAL 177 Ca 0.36 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 2h6m s VAL 177 Cb -0.17 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 2h6m s VAL 177 CO 0.16 0.52 1.26 -0.55 0.00 0.00 0.00 175.10 176.49 2h6m s SER 178 N 1.04 6.06 0.04 3.32 0.15 -0.17 -0.63 113.70 123.52 2h6m s SER 178 Ca -0.02 2.54 0.24 0.00 0.70 0.00 0.00 55.95 59.40 2h6m s SER 178 Cb -0.14 -2.62 0.97 0.00 -1.71 0.00 0.00 66.02 62.52 2h6m s SER 178 CO -0.06 -1.01 1.75 -1.54 1.20 0.00 0.00 173.24 173.58 2h6m n SER 179 N -0.32 0.14 -4.57 5.45 3.41 -0.76 -4.38 113.62 112.58 2h6m n SER 179 Ca 0.06 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.78 2h6m n SER 179 Cb 0.46 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 2h6m n SER 179 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2h6m s ASN 180 N -3.26 6.03 0.57 4.04 3.84 -1.26 -4.86 114.94 120.04 2h6m s ASN 180 Ca 0.11 0.29 0.35 0.00 0.21 0.00 0.00 52.86 53.82 2h6m s ASN 180 Cb 0.15 -2.54 1.56 0.00 -0.55 0.00 0.00 41.25 39.87 2h6m s ASN 180 CO 0.44 -1.79 2.06 1.56 -2.79 0.00 0.00 177.10 176.59 2h6m h GLN 181 N 11.49 0.00 0.00 0.43 4.20 -1.94 -0.76 115.11 128.52 2h6m h GLN 181 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2h6m h GLN 181 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2h6m h GLN 181 CO 1.18 0.02 0.00 0.66 -0.67 0.00 0.00 178.83 180.02 2h6m h SER 182 N 0.00 0.00 -0.46 1.46 4.64 -1.99 -1.44 113.55 115.76 2h6m h SER 182 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2h6m h SER 182 Cb 0.41 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.38 2h6m h SER 182 CO 0.00 0.00 0.08 2.30 -0.87 0.00 0.00 176.83 178.34 2h6m n ILE 183 N -2.72 2.63 -3.83 0.95 -5.35 -1.09 -4.96 119.36 105.00 2h6m n ILE 183 Ca 0.03 -2.38 -0.28 0.00 -0.27 0.00 0.00 62.75 59.85 2h6m n ILE 183 Cb 0.37 -0.33 0.04 0.00 -1.74 0.00 0.00 39.64 37.97 2h6m n ILE 183 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2h6m n GLN 184 N -0.94 -6.00 -3.93 6.28 3.00 -0.54 -2.35 117.38 112.89 2h6m n GLN 184 Ca 0.36 0.65 -0.26 0.00 -0.01 0.00 0.00 57.00 57.73 2h6m n GLN 184 Cb 1.14 -5.55 -0.00 0.00 0.00 0.00 0.00 30.24 25.82 2h6m n GLN 184 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2h6m n ASN 185 N -2.89 -1.36 -4.65 1.08 4.13 -0.31 -4.81 115.26 106.44 2h6m n ASN 185 Ca 0.00 -0.94 -0.40 0.00 1.68 0.00 0.00 54.58 54.92 2h6m n ASN 185 Cb 0.55 -3.33 0.02 0.00 -1.54 0.00 0.00 39.78 35.48 2h6m n ASN 185 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2h6m n ALA 186 N -4.40 0.66 -2.26 5.41 0.00 -0.99 -4.11 120.51 114.81 2h6m n ALA 186 Ca -0.22 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 2h6m n ALA 186 Cb 0.64 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 2h6m n ALA 186 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2h6m s ILE 187 N -1.29 3.68 -0.04 0.00 1.01 0.49 -1.00 121.20 124.06 2h6m s ILE 187 Ca 0.65 1.15 0.21 0.00 0.00 0.00 0.00 60.65 62.66 2h6m s ILE 187 Cb -0.51 -3.74 -0.33 0.00 0.01 0.00 0.00 42.46 37.90 2h6m s ILE 187 CO 0.55 0.05 0.45 0.18 0.00 0.00 0.00 174.94 176.17 2h6m n LEU 188 N 4.54 0.00 0.00 2.97 4.77 0.16 -0.63 117.00 128.81 2h6m n LEU 188 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2h6m n LEU 188 Cb 0.44 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2h6m n LEU 188 CO 0.58 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2h6m n GLY 189 N 1.31 -0.51 3.10 -0.72 0.00 -1.24 -2.07 105.19 105.06 2h6m n GLY 189 Ca -0.05 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 2h6m n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h6m s ILE 190 N -2.95 1.54 0.13 -0.61 -1.09 -0.64 -1.01 121.20 116.57 2h6m s ILE 190 Ca 0.00 -0.70 -0.31 0.00 -2.23 0.00 0.00 60.65 57.41 2h6m s ILE 190 Cb 0.00 -1.37 -0.09 0.00 -1.58 0.00 0.00 42.46 39.41 2h6m s ILE 190 CO 0.00 0.45 1.60 -2.28 -1.23 0.00 0.00 174.94 173.48 2h6m s HIS 191 N 0.65 2.84 0.00 3.97 5.65 -0.01 -0.83 115.29 127.55 2h6m s HIS 191 Ca -0.14 0.52 0.00 0.00 0.25 0.00 0.00 55.06 55.69 2h6m s HIS 191 Cb -0.16 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.29 2h6m s HIS 191 CO 0.04 -3.59 0.00 1.33 -0.65 0.00 0.00 174.74 171.87 2h6m n VAL 192 N 4.23 0.00 -3.43 0.89 0.24 0.09 -0.77 118.33 119.58 2h6m n VAL 192 Ca 0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.32 2h6m n VAL 192 Cb 0.39 0.10 -0.02 0.00 -1.47 0.00 0.00 33.84 32.84 2h6m n VAL 192 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h6m s ALA 193 N -1.58 -1.58 0.03 2.33 0.00 -0.96 -4.94 121.76 115.06 2h6m s ALA 193 Ca 0.00 0.50 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 2h6m s ALA 193 Cb 0.00 0.84 0.08 0.00 0.00 0.00 0.00 23.12 24.04 2h6m s ALA 193 CO 0.00 -0.75 0.68 0.20 0.00 0.00 0.00 175.76 175.89 2h6m s GLY 194 N -2.68 -0.57 0.00 0.00 0.00 -1.26 -0.37 107.32 102.43 2h6m s GLY 194 Ca 0.01 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.74 2h6m s GLY 194 CO -0.12 0.61 0.00 0.61 0.00 0.00 0.00 173.10 174.20 2h6m n GLY 195 N 0.32 2.76 4.00 0.20 0.00 -0.38 -4.98 105.19 107.10 2h6m n GLY 195 Ca -0.17 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 2h6m n GLY 195 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h6m n ASN 196 N 0.00 -2.38 -2.46 1.61 5.03 -1.26 -1.58 115.26 114.22 2h6m n ASN 196 Ca 0.00 -0.94 -0.21 0.00 0.87 0.00 0.00 54.58 54.30 2h6m n ASN 196 Cb 0.00 -3.26 -0.01 0.00 -1.02 0.00 0.00 39.78 35.50 2h6m n ASN 196 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2h6m n SER 197 N -2.85 -5.90 -4.03 6.41 7.64 -1.26 -5.00 113.62 108.62 2h6m n SER 197 Ca -0.11 -0.04 -0.20 0.00 1.01 0.00 0.00 58.87 59.53 2h6m n SER 197 Cb 0.59 -4.90 -0.15 0.00 -1.01 0.00 0.00 64.21 58.73 2h6m n SER 197 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2h6m s ILE 198 N -3.05 0.82 -0.07 0.44 -1.16 -0.62 -1.20 121.20 116.37 2h6m s ILE 198 Ca 0.03 -0.41 0.03 0.00 -0.51 0.00 0.00 60.65 59.79 2h6m s ILE 198 Cb -0.01 -0.71 -0.02 0.00 0.61 0.00 0.00 42.46 42.33 2h6m s ILE 198 CO 0.04 0.24 -0.16 -0.76 -2.81 0.00 0.00 174.94 171.49 2h6m s LEU 199 N -0.03 2.64 -0.11 8.50 1.43 0.94 -1.25 118.68 130.80 2h6m s LEU 199 Ca 0.00 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2h6m s LEU 199 Cb -0.06 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2h6m s LEU 199 CO 0.00 0.30 -0.17 -0.69 0.23 0.00 0.00 176.35 176.01 2h6m s VAL 200 N -0.43 1.64 -0.07 -1.59 1.01 0.50 -1.54 120.40 119.91 2h6m s VAL 200 Ca 0.05 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2h6m s VAL 200 Cb -0.12 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.80 2h6m s VAL 200 CO 0.02 0.47 -0.17 0.00 0.00 0.00 0.00 175.10 175.42 2h6m s ALA 201 N 0.82 1.60 0.10 5.51 0.00 -0.70 -0.73 121.76 128.35 2h6m s ALA 201 Ca -0.10 -0.63 -0.31 0.00 0.00 0.00 0.00 51.96 50.92 2h6m s ALA 201 Cb -0.16 -0.64 -0.08 0.00 0.00 0.00 0.00 23.12 22.24 2h6m s ALA 201 CO 0.01 0.20 1.53 0.21 0.00 0.00 0.00 175.76 177.70 2h6m s LYS 202 N 0.47 4.24 0.23 0.00 2.47 -0.01 -0.14 119.74 127.00 2h6m s LYS 202 Ca -0.15 2.23 -0.32 0.00 -1.56 0.00 0.00 55.97 56.18 2h6m s LYS 202 Cb -0.16 -3.38 -0.12 0.00 -1.46 0.00 0.00 37.83 32.71 2h6m s LYS 202 CO 0.05 -0.61 1.69 -0.11 0.16 0.00 0.00 175.35 176.54 2h6m n LEU 203 N 4.69 4.06 -3.87 5.43 7.94 -0.42 -1.63 117.00 133.20 2h6m n LEU 203 Ca 0.14 1.08 -0.26 0.00 -1.11 0.00 0.00 56.01 55.86 2h6m n LEU 203 Cb 0.41 -1.58 -0.17 0.00 0.53 0.00 0.00 43.42 42.61 2h6m n LEU 203 CO 0.61 0.17 -0.42 -0.69 -1.11 0.00 0.00 177.39 175.94 2h6m s VAL 204 N 0.91 0.89 0.28 1.96 1.01 -0.88 -4.91 120.40 119.66 2h6m s VAL 204 Ca 0.73 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2h6m s VAL 204 Cb -0.51 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2h6m s VAL 204 CO 0.36 0.31 0.26 0.42 0.00 0.00 0.00 175.10 176.44 2h6m s THR 205 N 1.76 4.23 0.29 3.92 -4.23 -1.26 -4.29 115.64 116.06 2h6m s THR 205 Ca 0.04 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 2h6m s THR 205 Cb -0.13 -3.38 0.28 0.00 1.34 0.00 0.00 72.50 70.61 2h6m s THR 205 CO -0.08 -0.28 1.76 1.56 -0.54 0.00 0.00 174.62 177.04 2h6m h GLN 206 N 1.35 0.63 0.00 3.99 4.20 -1.11 -2.07 115.11 122.10 2h6m h GLN 206 Ca -0.48 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 2h6m h GLN 206 Cb 1.24 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 2h6m h GLN 206 CO 0.60 0.42 -0.14 0.93 -0.67 0.00 0.00 178.83 179.96 2h6m h GLU 207 N 0.65 0.00 0.00 1.46 3.07 -1.95 -2.26 114.58 115.54 2h6m h GLU 207 Ca 0.55 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.39 2h6m h GLU 207 Cb 0.87 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.78 2h6m h GLU 207 CO -0.41 0.14 -0.08 0.52 -1.40 0.00 0.00 179.01 177.78 2h6m h MET 208 N 0.00 0.00 0.00 2.33 2.86 -1.68 -2.32 114.93 116.12 2h6m h MET 208 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2h6m h MET 208 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2h6m h MET 208 CO 0.02 0.08 0.00 1.19 1.06 0.00 0.00 176.91 179.26 2h6m n PHE 209 N -3.65 0.42 0.28 -0.22 3.72 -0.85 -2.29 117.46 114.88 2h6m n PHE 209 Ca -0.02 0.16 0.15 0.00 -0.05 0.00 0.00 57.45 57.69 2h6m n PHE 209 Cb 0.20 -0.76 0.76 0.00 -0.94 0.00 0.00 39.48 38.74 2h6m n PHE 209 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2h6m h GLN 210 N 0.00 0.00 -0.53 -1.08 4.20 -1.58 -1.69 115.11 114.43 2h6m h GLN 210 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2h6m h GLN 210 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2h6m h GLN 210 CO 0.00 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.25 2h6m n ASN 211 N -2.61 0.53 0.00 1.46 5.03 -0.97 -5.20 115.26 113.50 2h6m n ASN 211 Ca -0.01 -1.07 0.00 0.00 0.87 0.00 0.00 54.58 54.37 2h6m n ASN 211 Cb 0.13 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.62 2h6m n ASN 211 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73