#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h68 s PRO 30 N 0.00 1.71 0.31 1.09 0.02 -1.26 -5.02 135.00 131.85 2h68 s PRO 30 Ca 0.00 0.73 -0.29 0.00 0.02 0.00 0.00 61.00 61.46 2h68 s PRO 30 Cb 0.00 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 2h68 s PRO 30 CO 0.00 -1.91 1.28 0.08 -0.33 0.00 0.00 177.00 176.12 2h68 s VAL 31 N -3.05 2.86 0.04 3.83 1.01 -1.26 -5.04 120.40 118.79 2h68 s VAL 31 Ca 0.62 0.85 0.03 0.00 0.00 0.00 0.00 61.98 63.48 2h68 s VAL 31 Cb -0.16 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2h68 s VAL 31 CO 0.55 0.20 -0.09 -0.54 0.00 0.00 0.00 175.10 175.23 2h68 s LYS 32 N -1.58 0.57 0.93 2.72 1.02 -1.26 -4.98 119.74 117.15 2h68 s LYS 32 Ca 0.49 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.59 2h68 s LYS 32 Cb -0.38 -0.38 0.15 0.00 -0.52 0.00 0.00 37.83 36.70 2h68 s LYS 32 CO 0.50 0.07 1.19 -1.25 -0.92 0.00 0.00 175.35 174.94 2h68 s PRO 33 N -1.51 0.99 -0.35 -1.68 0.04 -1.26 -4.96 135.00 126.27 2h68 s PRO 33 Ca -0.08 0.03 0.14 0.00 0.04 0.00 0.00 61.00 61.13 2h68 s PRO 33 Cb -0.10 -1.85 0.45 0.00 0.04 0.00 0.00 34.50 33.05 2h68 s PRO 33 CO 0.01 -2.25 1.01 0.27 0.04 0.00 0.00 177.00 176.07 2h68 n ASN 34 N -3.75 2.45 -4.67 6.66 6.94 -1.26 -4.92 115.26 116.71 2h68 n ASN 34 Ca 0.10 -2.99 -0.51 0.00 -0.02 0.00 0.00 54.58 51.17 2h68 n ASN 34 Cb 0.60 -0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 37.46 2h68 n ASN 34 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2h68 n TYR 35 N -0.22 2.10 -4.56 -2.53 4.01 -1.26 -4.51 117.16 110.20 2h68 n TYR 35 Ca 0.18 0.30 -0.24 0.00 -0.16 0.00 0.00 57.90 57.99 2h68 n TYR 35 Cb 0.78 -2.53 -0.14 0.00 -0.31 0.00 0.00 39.34 37.14 2h68 n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h68 s ALA 36 N 2.54 1.53 0.12 -0.72 0.00 -0.26 -4.86 121.76 120.11 2h68 s ALA 36 Ca 0.89 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 2h68 s ALA 36 Cb -0.83 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.92 2h68 s ALA 36 CO 0.51 0.33 1.51 -1.17 0.00 0.00 0.00 175.76 176.94 2h68 s LEU 37 N -1.08 4.36 -0.13 0.00 2.96 -1.26 -1.11 118.68 122.42 2h68 s LEU 37 Ca 0.05 2.45 -0.00 0.00 -0.22 0.00 0.00 54.13 56.42 2h68 s LEU 37 Cb -0.08 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 2h68 s LEU 37 CO 0.01 -0.77 -0.12 0.29 -1.32 0.00 0.00 176.35 174.45 2h68 n LYS 38 N 4.36 0.31 -3.83 1.98 4.76 0.55 -4.92 118.16 121.37 2h68 n LYS 38 Ca 0.13 0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.53 2h68 n LYS 38 Cb 0.41 -1.22 -0.11 0.00 -1.84 0.00 0.00 35.03 32.27 2h68 n LYS 38 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2h68 s PHE 39 N -2.25 -0.11 -0.14 2.13 0.08 -1.12 -5.01 117.98 111.55 2h68 s PHE 39 Ca -0.17 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.13 2h68 s PHE 39 Cb 0.05 0.03 -0.01 0.00 -0.57 0.00 0.00 43.02 42.52 2h68 s PHE 39 CO 0.29 -0.18 -0.14 0.99 -0.10 0.00 0.00 175.22 176.08 2h68 s THR 40 N -0.51 2.85 -0.37 0.64 2.01 -1.26 -0.82 115.64 118.18 2h68 s THR 40 Ca -0.06 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 2h68 s THR 40 Cb -0.04 -2.20 0.07 0.00 0.01 0.00 0.00 72.50 70.34 2h68 s THR 40 CO 0.01 0.52 0.16 -0.76 -0.69 0.00 0.00 174.62 173.86 2h68 s LEU 41 N 0.58 4.73 0.06 4.42 1.02 0.99 -4.97 118.68 125.50 2h68 s LEU 41 Ca -0.09 -1.47 0.02 0.00 0.02 0.00 0.00 54.13 52.61 2h68 s LEU 41 Cb -0.16 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.14 2h68 s LEU 41 CO 0.03 -0.43 0.07 0.00 0.02 0.00 0.00 176.35 176.04 2h68 s ALA 42 N 1.33 3.54 0.00 4.21 0.00 -1.26 -1.77 121.76 127.82 2h68 s ALA 42 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2h68 s ALA 42 Cb -0.21 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2h68 s ALA 42 CO 0.00 0.73 0.00 0.41 0.00 0.00 0.00 175.76 176.90 2h68 n GLY 43 N 0.68 1.19 3.77 0.00 0.00 -1.26 -5.05 105.19 104.52 2h68 n GLY 43 Ca -0.10 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2h68 n GLY 43 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h68 s HIS 44 N 0.00 2.76 -1.98 1.61 3.76 -1.26 -4.95 115.29 115.23 2h68 s HIS 44 Ca 0.00 1.48 0.16 0.00 -0.15 0.00 0.00 55.06 56.55 2h68 s HIS 44 Cb 0.00 -3.52 0.11 0.00 1.11 0.00 0.00 32.58 30.28 2h68 s HIS 44 CO 0.00 -1.89 1.00 0.25 -0.85 0.00 0.00 174.74 173.25 2h68 n THR 45 N -0.44 0.00 -4.25 1.30 -2.24 -1.26 -4.94 114.28 102.45 2h68 n THR 45 Ca 0.07 -0.48 -0.16 0.00 -2.27 0.00 0.00 64.05 61.21 2h68 n THR 45 Cb 0.46 1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.96 2h68 n THR 45 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2h68 n LYS 46 N 0.80 0.38 -1.57 -0.78 5.02 -1.26 -4.96 118.16 115.79 2h68 n LYS 46 Ca 0.09 -2.55 -0.47 0.00 -2.02 0.00 0.00 58.31 53.36 2h68 n LYS 46 Cb 0.40 1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 37.33 2h68 n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h68 n ALA 47 N -1.31 -0.70 -1.80 7.82 0.00 -1.26 -4.70 120.51 118.56 2h68 n ALA 47 Ca -0.10 0.43 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 2h68 n ALA 47 Cb 0.46 -1.99 -0.05 0.00 0.00 0.00 0.00 19.45 17.87 2h68 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h68 s VAL 48 N -0.65 4.03 -0.05 0.00 1.01 -0.94 -1.45 120.40 122.34 2h68 s VAL 48 Ca 0.66 1.44 0.04 0.00 0.00 0.00 0.00 61.98 64.11 2h68 s VAL 48 Cb -0.79 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 2h68 s VAL 48 CO 0.56 -0.10 0.01 -1.54 0.00 0.00 0.00 175.10 174.03 2h68 n SER 49 N -0.26 3.83 -3.63 3.32 3.41 -0.20 -4.57 113.62 115.53 2h68 n SER 49 Ca 0.06 -0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.51 2h68 n SER 49 Cb 0.51 0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 64.92 2h68 n SER 49 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2h68 s SER 50 N -3.68 -0.62 0.02 4.04 0.15 -1.22 -4.69 113.70 107.70 2h68 s SER 50 Ca -0.03 1.01 0.05 0.00 0.70 0.00 0.00 55.95 57.68 2h68 s SER 50 Cb 0.01 0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 65.30 2h68 s SER 50 CO 0.18 -0.36 -0.15 0.68 1.20 0.00 0.00 173.24 174.80 2h68 s VAL 51 N -0.26 1.15 -0.11 4.45 -7.23 -1.26 -1.40 120.40 115.74 2h68 s VAL 51 Ca -0.04 -0.84 -0.06 0.00 -1.81 0.00 0.00 61.98 59.23 2h68 s VAL 51 Cb -0.03 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.95 2h68 s VAL 51 CO 0.04 0.15 0.26 -0.54 -0.31 0.00 0.00 175.10 174.70 2h68 s LYS 52 N -0.79 0.24 0.26 4.82 -0.14 -0.25 -4.51 119.74 119.37 2h68 s LYS 52 Ca 0.04 0.51 -0.27 0.00 -1.36 0.00 0.00 55.97 54.89 2h68 s LYS 52 Cb -0.07 -0.06 -0.09 0.00 -1.68 0.00 0.00 37.83 35.94 2h68 s LYS 52 CO 0.00 -0.13 0.89 -0.06 -0.76 0.00 0.00 175.35 175.29 2h68 s PHE 53 N 1.03 3.83 0.51 3.18 0.08 -1.26 -0.72 117.98 124.64 2h68 s PHE 53 Ca -0.07 1.77 -0.23 0.00 0.12 0.00 0.00 56.93 58.52 2h68 s PHE 53 Cb -0.08 -2.89 -0.06 0.00 -0.57 0.00 0.00 43.02 39.42 2h68 s PHE 53 CO -0.07 0.36 1.34 -1.54 -0.10 0.00 0.00 175.22 175.22 2h68 s SER 54 N -1.38 5.53 0.51 1.36 1.04 0.29 -4.90 113.70 116.14 2h68 s SER 54 Ca 0.44 2.73 0.24 0.00 0.48 0.00 0.00 55.95 59.84 2h68 s SER 54 Cb -0.22 -2.63 1.34 0.00 0.10 0.00 0.00 66.02 64.61 2h68 s SER 54 CO 0.27 -1.39 1.98 -0.65 0.98 0.00 0.00 173.24 174.43 2h68 h PRO 55 N 1.73 0.06 -0.00 4.02 0.11 -1.85 0.28 132.00 136.35 2h68 h PRO 55 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2h68 h PRO 55 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2h68 h PRO 55 CO 0.58 0.04 -0.02 0.27 -0.21 0.00 0.00 178.00 178.67 2h68 n ASN 56 N -4.39 0.11 0.00 -2.05 0.23 -1.26 -4.87 115.26 103.02 2h68 n ASN 56 Ca 0.10 -0.51 0.00 0.00 -0.53 0.00 0.00 54.58 53.64 2h68 n ASN 56 Cb 0.60 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 2h68 n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2h68 n GLY 57 N 1.19 0.96 0.11 4.83 0.00 0.09 -4.89 105.19 107.48 2h68 n GLY 57 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2h68 n GLY 57 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2h68 h GLU 58 N 2.85 0.00 -5.06 1.61 5.08 -1.92 -3.43 114.58 113.72 2h68 h GLU 58 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2h68 h GLU 58 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 2h68 h GLU 58 CO 0.00 0.49 -0.74 -1.58 -1.00 0.00 0.00 179.01 176.18 2h68 s TRP 59 N -2.91 1.12 -0.09 4.33 0.52 -1.26 -0.94 118.94 119.71 2h68 s TRP 59 Ca 0.01 -0.62 0.02 0.00 0.02 0.00 0.00 56.10 55.52 2h68 s TRP 59 Cb 0.08 -0.61 -0.02 0.00 -1.15 0.00 0.00 33.47 31.77 2h68 s TRP 59 CO 0.78 0.03 -0.14 -1.17 0.02 0.00 0.00 176.95 176.47 2h68 s LEU 60 N -2.38 2.71 -0.04 2.99 2.96 0.20 -0.55 118.68 124.57 2h68 s LEU 60 Ca 0.05 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2h68 s LEU 60 Cb -0.04 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2h68 s LEU 60 CO 0.01 0.25 -0.07 0.00 -1.32 0.00 0.00 176.35 175.22 2h68 s ALA 61 N -0.15 3.01 0.04 5.97 0.00 0.11 -0.96 121.76 129.77 2h68 s ALA 61 Ca -0.01 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.07 2h68 s ALA 61 Cb -0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 2h68 s ALA 61 CO 0.03 0.59 -0.17 -1.54 0.00 0.00 0.00 175.76 174.68 2h68 s SER 62 N -1.08 1.99 0.29 0.00 1.04 0.00 -1.09 113.70 114.85 2h68 s SER 62 Ca 0.15 -0.48 0.10 0.00 0.48 0.00 0.00 55.95 56.20 2h68 s SER 62 Cb -0.11 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 2h68 s SER 62 CO 0.04 0.09 -0.09 -0.94 0.98 0.00 0.00 173.24 173.32 2h68 s SER 63 N -1.13 4.01 0.06 7.02 1.04 -0.49 -1.12 113.70 123.09 2h68 s SER 63 Ca 0.04 -0.91 -0.17 0.00 0.48 0.00 0.00 55.95 55.38 2h68 s SER 63 Cb -0.08 -0.52 0.03 0.00 0.10 0.00 0.00 66.02 65.55 2h68 s SER 63 CO 0.01 -0.04 0.40 -0.55 0.98 0.00 0.00 173.24 174.04 2h68 s SER 64 N -3.61 -0.26 0.24 7.02 0.15 -1.09 -1.03 113.70 115.12 2h68 s SER 64 Ca 0.32 -0.09 0.15 0.00 0.70 0.00 0.00 55.95 57.03 2h68 s SER 64 Cb -0.04 0.43 0.82 0.00 -1.71 0.00 0.00 66.02 65.52 2h68 s SER 64 CO 0.17 -0.70 1.44 0.00 1.20 0.00 0.00 173.24 175.35 2h68 n ALA 65 N 0.34 0.98 1.85 5.45 0.00 -0.53 -1.31 120.51 127.28 2h68 n ALA 65 Ca -0.18 0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.45 2h68 n ALA 65 Cb 0.61 -1.17 0.27 0.00 0.00 0.00 0.00 19.45 19.15 2h68 n ALA 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2h68 n ASP 66 N -2.03 0.00 0.00 0.00 5.68 -1.26 -4.07 116.55 114.87 2h68 n ASP 66 Ca -0.01 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 2h68 n ASP 66 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 2h68 n ASP 66 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2h68 n LYS 67 N -0.65 -0.17 -4.34 0.11 5.02 -0.95 -4.97 118.16 112.21 2h68 n LYS 67 Ca 0.07 0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 2h68 n LYS 67 Cb 0.03 -3.15 -0.12 0.00 -0.02 0.00 0.00 35.03 31.77 2h68 n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h68 s LEU 68 N 0.00 2.57 -0.11 -0.35 1.43 -1.26 -4.34 118.68 116.62 2h68 s LEU 68 Ca 0.00 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 2h68 s LEU 68 Cb 0.00 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2h68 s LEU 68 CO 0.00 0.18 0.04 -0.63 0.23 0.00 0.00 176.35 176.17 2h68 s ILE 69 N -1.11 4.66 0.06 -0.59 1.01 -0.66 -2.66 121.20 121.91 2h68 s ILE 69 Ca 0.16 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.79 2h68 s ILE 69 Cb -0.10 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2h68 s ILE 69 CO 0.09 0.59 -0.22 -0.54 0.00 0.00 0.00 174.94 174.85 2h68 s LYS 70 N -0.73 1.43 -0.08 2.79 1.02 -0.27 -0.08 119.74 123.82 2h68 s LYS 70 Ca 0.12 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 55.10 2h68 s LYS 70 Cb -0.12 -1.61 -0.02 0.00 -0.52 0.00 0.00 37.83 35.56 2h68 s LYS 70 CO 0.02 0.41 -0.16 0.42 -0.92 0.00 0.00 175.35 175.12 2h68 s ILE 71 N -0.87 2.90 0.05 2.17 -1.09 -0.03 -0.82 121.20 123.51 2h68 s ILE 71 Ca 0.09 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 2h68 s ILE 71 Cb -0.09 -2.15 -0.03 0.00 -1.58 0.00 0.00 42.46 38.61 2h68 s ILE 71 CO 0.02 0.57 -0.09 0.26 -1.23 0.00 0.00 174.94 174.47 2h68 s TRP 72 N -0.31 0.80 0.22 3.97 0.52 -0.13 -0.37 118.94 123.64 2h68 s TRP 72 Ca 0.02 -0.50 -0.30 0.00 0.02 0.00 0.00 56.10 55.33 2h68 s TRP 72 Cb -0.13 -0.47 -0.10 0.00 -1.15 0.00 0.00 33.47 31.62 2h68 s TRP 72 CO 0.03 -0.05 1.46 0.20 0.02 0.00 0.00 176.95 178.60 2h68 s GLY 73 N -1.67 2.15 0.32 0.98 0.00 0.05 -0.63 107.32 108.53 2h68 s GLY 73 Ca -0.07 1.31 0.13 0.00 0.00 0.00 0.00 44.72 46.09 2h68 s GLY 73 CO 0.01 2.35 1.69 0.00 0.00 0.00 0.00 173.10 177.15 2h68 h ALA 74 N 5.51 1.07 0.01 3.20 0.00 -1.31 -0.36 119.26 127.38 2h68 h ALA 74 Ca -0.45 -0.46 -0.35 0.00 0.00 0.00 0.00 54.91 53.65 2h68 h ALA 74 Cb 1.21 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2h68 h ALA 74 CO 0.81 0.63 -2.21 0.66 0.00 0.00 0.00 179.25 179.14 2h68 n TYR 75 N -3.79 0.32 0.24 0.00 4.01 -1.26 -4.53 117.16 112.15 2h68 n TYR 75 Ca -0.01 0.11 0.03 0.00 -0.16 0.00 0.00 57.90 57.86 2h68 n TYR 75 Cb 0.54 -1.06 0.01 0.00 -0.31 0.00 0.00 39.34 38.52 2h68 n TYR 75 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2h68 n ASP 76 N -2.93 1.12 -0.24 7.72 5.68 -1.25 -5.01 116.55 121.65 2h68 n ASP 76 Ca -0.30 -1.06 -0.03 0.00 -0.50 0.00 0.00 54.79 52.90 2h68 n ASP 76 Cb 1.11 0.29 -0.01 0.00 -1.14 0.00 0.00 41.12 41.37 2h68 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h68 n GLY 77 N 0.56 0.39 3.73 6.12 0.00 -0.14 -4.95 105.19 110.89 2h68 n GLY 77 Ca 0.03 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2h68 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h68 s LYS 78 N -1.95 4.46 0.31 1.61 1.02 -1.26 -4.62 119.74 119.31 2h68 s LYS 78 Ca 0.00 1.91 -0.30 0.00 0.02 0.00 0.00 55.97 57.60 2h68 s LYS 78 Cb 0.00 -3.24 -0.12 0.00 -0.52 0.00 0.00 37.83 33.95 2h68 s LYS 78 CO 0.00 -0.15 1.54 0.34 -0.92 0.00 0.00 175.35 176.16 2h68 n PHE 79 N 2.73 2.79 -0.03 3.18 7.35 -1.26 -0.77 117.46 131.45 2h68 n PHE 79 Ca 0.05 0.32 -0.07 0.00 -0.76 0.00 0.00 57.45 57.00 2h68 n PHE 79 Cb 0.44 -2.56 -0.02 0.00 0.35 0.00 0.00 39.48 37.69 2h68 n PHE 79 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2h68 n GLU 80 N 1.75 0.25 -3.43 -4.13 4.07 0.50 -4.86 120.64 114.79 2h68 n GLU 80 Ca 0.07 0.10 -0.12 0.00 -0.06 0.00 0.00 57.16 57.15 2h68 n GLU 80 Cb 0.37 -0.94 -0.02 0.00 -0.06 0.00 0.00 31.44 30.79 2h68 n GLU 80 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 2h68 s LYS 81 N -2.38 1.24 -0.11 5.31 -2.85 -1.12 -5.00 119.74 114.84 2h68 s LYS 81 Ca -0.15 -0.42 -0.04 0.00 -1.00 0.00 0.00 55.97 54.37 2h68 s LYS 81 Cb 0.03 0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 36.34 2h68 s LYS 81 CO 0.21 -0.53 0.04 0.99 0.10 0.00 0.00 175.35 176.15 2h68 s THR 82 N -3.56 4.64 -0.19 3.79 2.01 -1.26 -0.85 115.64 120.22 2h68 s THR 82 Ca 0.01 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2h68 s THR 82 Cb -0.01 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.53 2h68 s THR 82 CO -0.11 0.59 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.60 2h68 s ILE 83 N -0.76 2.26 0.16 1.82 1.01 0.89 -5.00 121.20 121.58 2h68 s ILE 83 Ca 0.12 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.95 2h68 s ILE 83 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2h68 s ILE 83 CO 0.02 0.51 -0.13 -0.94 0.00 0.00 0.00 174.94 174.41 2h68 s SER 84 N 1.32 2.18 0.00 3.58 1.04 -1.26 -1.65 113.70 118.90 2h68 s SER 84 Ca 0.05 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2h68 s SER 84 Cb -0.13 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2h68 s SER 84 CO -0.11 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2h68 n GLY 85 N -0.09 0.82 3.75 7.32 0.00 -1.26 -4.89 105.19 110.84 2h68 n GLY 85 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 2h68 n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h68 s HIS 86 N 0.00 2.36 -0.68 1.61 3.76 -1.26 -4.93 115.29 116.15 2h68 s HIS 86 Ca 0.00 1.40 0.24 0.00 -0.15 0.00 0.00 55.06 56.55 2h68 s HIS 86 Cb 0.00 -3.73 0.22 0.00 1.11 0.00 0.00 32.58 30.18 2h68 s HIS 86 CO 0.00 -2.69 1.19 1.63 -0.85 0.00 0.00 174.74 174.02 2h68 n LYS 87 N -1.01 0.25 -4.23 1.40 5.02 -1.26 -4.94 118.16 113.38 2h68 n LYS 87 Ca 0.10 0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.26 2h68 n LYS 87 Cb 0.46 -1.62 -0.08 0.00 -0.02 0.00 0.00 35.03 33.77 2h68 n LYS 87 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h68 s LEU 88 N -3.92 1.50 0.88 -0.35 1.43 -1.26 -4.98 118.68 111.99 2h68 s LEU 88 Ca 0.06 -1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 51.40 2h68 s LEU 88 Cb 0.14 0.67 0.08 0.00 0.03 0.00 0.00 46.19 47.12 2h68 s LEU 88 CO 0.76 -1.05 0.91 0.61 0.23 0.00 0.00 176.35 177.81 2h68 n GLY 89 N -0.54 -0.82 3.43 -3.19 0.00 -1.26 -4.43 105.19 98.39 2h68 n GLY 89 Ca 0.05 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 2h68 n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h68 s ILE 90 N -2.37 3.25 -0.12 -0.61 1.01 -0.43 -1.09 121.20 120.85 2h68 s ILE 90 Ca 0.66 -0.60 0.17 0.00 0.00 0.00 0.00 60.65 60.88 2h68 s ILE 90 Cb -0.25 -2.36 -0.20 0.00 0.01 0.00 0.00 42.46 39.66 2h68 s ILE 90 CO 0.59 0.53 0.60 -1.20 0.00 0.00 0.00 174.94 175.46 2h68 n SER 91 N 3.24 0.59 -3.54 3.58 7.64 0.24 -3.76 113.62 121.60 2h68 n SER 91 Ca -0.18 0.26 -0.14 0.00 1.01 0.00 0.00 58.87 59.82 2h68 n SER 91 Cb 0.53 0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 64.18 2h68 n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2h68 s ASP 92 N -5.62 -0.49 0.02 6.43 2.15 -1.22 -4.35 116.67 113.58 2h68 s ASP 92 Ca -0.05 0.24 -0.03 0.00 0.43 0.00 0.00 52.55 53.14 2h68 s ASP 92 Cb 0.09 0.51 -0.01 0.00 -0.30 0.00 0.00 42.92 43.21 2h68 s ASP 92 CO 0.83 -0.74 0.03 0.54 -0.17 0.00 0.00 175.17 175.66 2h68 s VAL 93 N -2.41 0.11 0.01 1.11 0.11 -1.26 -1.49 120.40 116.58 2h68 s VAL 93 Ca -0.05 -0.92 -0.14 0.00 -2.93 0.00 0.00 61.98 57.94 2h68 s VAL 93 Cb -0.01 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2h68 s VAL 93 CO -0.01 -0.51 0.29 0.00 -3.33 0.00 0.00 175.10 171.54 2h68 s ALA 94 N -1.70 -0.68 0.04 1.54 0.00 0.25 -4.85 121.76 116.34 2h68 s ALA 94 Ca -0.13 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 2h68 s ALA 94 Cb -0.07 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2h68 s ALA 94 CO -0.01 -0.33 0.17 -1.58 0.00 0.00 0.00 175.76 174.01 2h68 s TRP 95 N -1.94 3.47 0.74 0.00 0.52 -1.26 -0.75 118.94 119.71 2h68 s TRP 95 Ca -0.09 0.26 -0.11 0.00 0.02 0.00 0.00 56.10 56.18 2h68 s TRP 95 Cb -0.03 -1.76 0.03 0.00 -1.15 0.00 0.00 33.47 30.56 2h68 s TRP 95 CO 0.00 0.60 1.07 -1.54 0.02 0.00 0.00 176.95 177.10 2h68 s SER 96 N -2.25 4.99 0.49 2.95 1.04 -0.56 -4.58 113.70 115.79 2h68 s SER 96 Ca 0.31 1.57 0.16 0.00 0.48 0.00 0.00 55.95 58.47 2h68 s SER 96 Cb -0.13 -2.39 1.19 0.00 0.10 0.00 0.00 66.02 64.80 2h68 s SER 96 CO 0.23 -1.68 2.09 0.28 0.98 0.00 0.00 173.24 175.13 2h68 h SER 97 N -0.89 0.00 -0.12 7.02 0.02 -1.84 -1.44 113.55 116.30 2h68 h SER 97 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2h68 h SER 97 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2h68 h SER 97 CO 0.56 0.08 0.00 -0.90 -1.14 0.00 0.00 176.83 175.43 2h68 n ASP 98 N -4.39 1.51 -0.22 3.07 5.75 -1.26 -4.73 116.55 116.28 2h68 n ASP 98 Ca -0.03 -1.63 -0.03 0.00 -0.01 0.00 0.00 54.79 53.09 2h68 n ASP 98 Cb 0.16 -0.07 -0.01 0.00 -1.03 0.00 0.00 41.12 40.16 2h68 n ASP 98 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2h68 n SER 99 N 0.21 -4.72 0.03 -1.12 7.64 -0.54 -4.86 113.62 110.25 2h68 n SER 99 Ca 0.17 0.07 0.11 0.00 1.01 0.00 0.00 58.87 60.23 2h68 n SER 99 Cb 0.32 -2.48 -0.08 0.00 -1.01 0.00 0.00 64.21 60.96 2h68 n SER 99 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2h68 n ASN 100 N -0.46 0.41 -4.32 6.43 3.02 -1.26 -4.88 115.26 114.20 2h68 n ASN 100 Ca -0.03 -0.04 -0.23 0.00 -0.03 0.00 0.00 54.58 54.25 2h68 n ASN 100 Cb 0.32 1.29 -0.12 0.00 -0.61 0.00 0.00 39.78 40.66 2h68 n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2h68 s LEU 101 N -4.48 2.37 0.13 3.41 1.43 -1.26 -1.76 118.68 118.52 2h68 s LEU 101 Ca -0.02 -0.78 0.10 0.00 -1.03 0.00 0.00 54.13 52.39 2h68 s LEU 101 Cb 0.13 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2h68 s LEU 101 CO 0.85 0.02 -0.24 -0.76 0.23 0.00 0.00 176.35 176.45 2h68 s LEU 102 N -2.31 2.33 0.03 1.79 1.43 -0.82 -1.49 118.68 119.64 2h68 s LEU 102 Ca 0.12 -0.74 0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2h68 s LEU 102 Cb -0.08 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 2h68 s LEU 102 CO 0.06 0.12 -0.25 0.54 0.23 0.00 0.00 176.35 177.05 2h68 s VAL 103 N -1.21 2.01 0.09 -1.59 0.11 0.07 -0.35 120.40 119.54 2h68 s VAL 103 Ca 0.12 -1.28 0.07 0.00 -2.93 0.00 0.00 61.98 57.97 2h68 s VAL 103 Cb -0.10 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.01 2h68 s VAL 103 CO 0.06 0.38 -0.19 -0.94 -3.33 0.00 0.00 175.10 171.07 2h68 s SER 104 N -1.08 2.31 -0.13 3.54 1.04 -0.43 -0.59 113.70 118.37 2h68 s SER 104 Ca 0.10 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.90 2h68 s SER 104 Cb -0.10 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2h68 s SER 104 CO 0.01 0.03 -0.20 0.00 0.98 0.00 0.00 173.24 174.06 2h68 s ALA 105 N -1.17 2.31 0.10 5.32 0.00 -0.55 -2.04 121.76 125.73 2h68 s ALA 105 Ca 0.04 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 51.02 2h68 s ALA 105 Cb -0.10 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2h68 s ALA 105 CO 0.04 0.06 -0.14 0.45 0.00 0.00 0.00 175.76 176.16 2h68 s SER 106 N 0.68 1.86 0.38 0.00 0.15 -0.83 -0.59 113.70 115.35 2h68 s SER 106 Ca -0.10 -0.73 0.26 0.00 0.70 0.00 0.00 55.95 56.08 2h68 s SER 106 Cb -0.16 -0.06 1.39 0.00 -1.71 0.00 0.00 66.02 65.48 2h68 s SER 106 CO 0.01 -0.12 1.79 0.44 1.20 0.00 0.00 173.24 176.57 2h68 h ASP 107 N 3.83 0.00 0.00 5.45 3.32 -1.30 -1.63 116.42 126.09 2h68 h ASP 107 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2h68 h ASP 107 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2h68 h ASP 107 CO 0.46 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.08 2h68 n ASP 108 N -2.41 0.00 0.00 6.45 5.68 -1.26 -4.43 116.55 120.57 2h68 n ASP 108 Ca -0.01 -0.92 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 2h68 n ASP 108 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 2h68 n ASP 108 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2h68 n LYS 109 N -0.77 0.00 -4.42 0.11 5.02 -0.86 -5.02 118.16 112.21 2h68 n LYS 109 Ca 0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.13 2h68 n LYS 109 Cb 0.04 -2.74 -0.09 0.00 -0.02 0.00 0.00 35.03 32.22 2h68 n LYS 109 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2h68 s THR 110 N -2.75 2.61 0.12 -0.18 -4.23 -1.25 -4.17 115.64 105.79 2h68 s THR 110 Ca 0.00 -2.17 0.06 0.00 -1.18 0.00 0.00 61.69 58.40 2h68 s THR 110 Cb 0.00 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 2h68 s THR 110 CO 0.00 -0.29 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.01 2h68 s LEU 111 N -3.62 3.34 -0.02 4.79 1.02 -0.91 -1.96 118.68 121.32 2h68 s LEU 111 Ca 0.32 -0.28 0.06 0.00 0.02 0.00 0.00 54.13 54.25 2h68 s LEU 111 Cb -0.02 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.11 2h68 s LEU 111 CO 0.17 0.15 -0.21 -0.54 0.02 0.00 0.00 176.35 175.94 2h68 s LYS 112 N -2.47 1.81 -0.19 1.70 1.02 -0.87 0.27 119.74 121.00 2h68 s LYS 112 Ca 0.25 -0.75 -0.11 0.00 0.02 0.00 0.00 55.97 55.39 2h68 s LYS 112 Cb -0.11 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 2h68 s LYS 112 CO 0.17 0.42 0.16 0.42 -0.92 0.00 0.00 175.35 175.60 2h68 s ILE 113 N -0.38 5.39 0.02 2.17 1.01 -0.35 -1.31 121.20 127.76 2h68 s ILE 113 Ca 0.05 0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.03 2h68 s ILE 113 Cb -0.09 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 2h68 s ILE 113 CO 0.00 0.43 -0.24 0.26 0.00 0.00 0.00 174.94 175.39 2h68 s TRP 114 N 0.39 2.39 -0.38 3.97 0.52 0.53 -0.15 118.94 126.21 2h68 s TRP 114 Ca 0.09 -0.38 -0.27 0.00 0.02 0.00 0.00 56.10 55.57 2h68 s TRP 114 Cb -0.11 -1.45 0.02 0.00 -1.15 0.00 0.00 33.47 30.78 2h68 s TRP 114 CO -0.01 0.11 0.98 0.34 0.02 0.00 0.00 176.95 178.39 2h68 s ASP 115 N -1.08 6.70 0.25 2.95 -1.08 0.03 -1.95 116.67 122.48 2h68 s ASP 115 Ca 0.12 0.60 -0.05 0.00 -0.52 0.00 0.00 52.55 52.70 2h68 s ASP 115 Cb -0.10 -2.49 0.35 0.00 -1.46 0.00 0.00 42.92 39.22 2h68 s ASP 115 CO 0.02 -0.93 1.86 0.58 0.52 0.00 0.00 175.17 177.22 2h68 h VAL 116 N 5.88 1.05 -0.29 1.11 2.07 -1.67 0.47 116.25 124.88 2h68 h VAL 116 Ca -0.23 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2h68 h VAL 116 Cb 1.07 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2h68 h VAL 116 CO 1.01 0.19 -0.00 -1.28 0.02 0.00 0.00 177.57 177.50 2h68 h SER 117 N 1.02 0.50 0.53 0.57 0.87 -1.92 -3.26 113.55 111.84 2h68 h SER 117 Ca 0.39 -0.31 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 2h68 h SER 117 Cb 0.16 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2h68 h SER 117 CO -0.17 0.69 -1.54 -1.54 -0.53 0.00 0.00 176.83 173.74 2h68 n SER 118 N -4.58 0.51 0.00 6.23 3.41 -1.17 -4.99 113.62 113.03 2h68 n SER 118 Ca -0.03 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2h68 n SER 118 Cb 0.26 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 2h68 n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h68 n GLY 119 N 1.31 0.66 3.80 5.00 0.00 0.16 -5.02 105.19 111.10 2h68 n GLY 119 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2h68 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h68 s LYS 120 N -0.03 4.43 -0.30 1.61 1.02 -1.21 -4.68 119.74 120.59 2h68 s LYS 120 Ca 0.00 1.09 -0.29 0.00 0.02 0.00 0.00 55.97 56.79 2h68 s LYS 120 Cb 0.00 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 2h68 s LYS 120 CO 0.00 0.38 1.27 0.00 -0.92 0.00 0.00 175.35 176.08 2h68 h LEU 122 N 10.75 0.71 -7.51 0.00 3.38 -0.89 -3.48 115.31 118.26 2h68 h LEU 122 Ca -0.26 -0.90 -0.12 0.00 0.09 0.00 0.00 57.88 56.70 2h68 h LEU 122 Cb 1.09 -0.23 -0.21 0.00 0.09 0.00 0.00 40.66 41.41 2h68 h LEU 122 CO 1.03 1.55 -0.30 -0.54 0.09 0.00 0.00 178.44 180.27 2h68 s LYS 123 N -2.68 0.62 -0.17 1.13 1.02 -1.18 -5.01 119.74 113.47 2h68 s LYS 123 Ca -0.11 -0.13 -0.00 0.00 0.02 0.00 0.00 55.97 55.74 2h68 s LYS 123 Cb 0.03 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 2h68 s LYS 123 CO 0.90 -0.16 -0.14 0.99 -0.92 0.00 0.00 175.35 176.01 2h68 s THR 124 N -1.16 2.65 -0.42 2.17 2.01 -1.26 -1.21 115.64 118.42 2h68 s THR 124 Ca -0.12 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 2h68 s THR 124 Cb -0.05 -2.14 0.02 0.00 0.01 0.00 0.00 72.50 70.34 2h68 s THR 124 CO 0.04 0.50 0.46 -0.76 -0.69 0.00 0.00 174.62 174.18 2h68 s LEU 125 N 1.03 4.80 -0.03 4.42 1.43 0.14 -4.97 118.68 125.50 2h68 s LEU 125 Ca -0.01 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 2h68 s LEU 125 Cb -0.15 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2h68 s LEU 125 CO -0.03 -0.60 -0.12 -0.54 0.23 0.00 0.00 176.35 175.28 2h68 s LYS 126 N 2.23 2.48 0.00 1.70 1.02 -1.26 -2.14 119.74 123.77 2h68 s LYS 126 Ca 0.14 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.40 2h68 s LYS 126 Cb -0.17 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2h68 s LYS 126 CO 0.14 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 175.60 2h68 n GLY 127 N 2.05 1.47 3.74 -3.33 0.00 -1.26 -4.85 105.19 103.02 2h68 n GLY 127 Ca -0.17 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 2h68 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h68 s HIS 128 N 0.00 2.22 -2.66 1.61 3.76 -1.26 -4.93 115.29 114.03 2h68 s HIS 128 Ca 0.00 1.45 0.22 0.00 -0.15 0.00 0.00 55.06 56.59 2h68 s HIS 128 Cb 0.00 -3.69 0.25 0.00 1.11 0.00 0.00 32.58 30.25 2h68 s HIS 128 CO 0.00 -2.76 1.26 -1.13 -0.85 0.00 0.00 174.74 171.26 2h68 n SER 129 N -1.51 3.04 -1.45 1.40 3.41 -1.26 -4.90 113.62 112.34 2h68 n SER 129 Ca 0.13 -1.95 -0.03 0.00 -0.26 0.00 0.00 58.87 56.77 2h68 n SER 129 Cb 0.47 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2h68 n SER 129 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2h68 n ASN 130 N 1.31 -0.46 -4.57 4.04 2.85 -1.26 -4.96 115.26 112.21 2h68 n ASN 130 Ca 0.15 -1.42 -0.47 0.00 -0.11 0.00 0.00 54.58 52.73 2h68 n ASN 130 Cb 0.57 0.80 -0.03 0.00 1.24 0.00 0.00 39.78 42.36 2h68 n ASN 130 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2h68 n TYR 131 N -0.13 1.14 -3.46 1.20 4.01 -1.26 -4.41 117.16 114.24 2h68 n TYR 131 Ca -0.01 0.72 -0.38 0.00 -0.16 0.00 0.00 57.90 58.07 2h68 n TYR 131 Cb 0.14 -2.24 -0.08 0.00 -0.31 0.00 0.00 39.34 36.86 2h68 n TYR 131 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2h68 s VAL 132 N -0.69 5.25 -0.12 -0.72 1.01 -0.67 -0.84 120.40 123.62 2h68 s VAL 132 Ca 0.65 0.57 0.17 0.00 0.00 0.00 0.00 61.98 63.37 2h68 s VAL 132 Cb -0.78 -3.67 -0.24 0.00 0.00 0.00 0.00 36.38 31.69 2h68 s VAL 132 CO 0.56 0.29 0.18 0.49 0.00 0.00 0.00 175.10 176.62 2h68 n PHE 133 N 4.34 0.00 -3.66 5.22 3.72 0.37 -3.16 117.46 124.28 2h68 n PHE 133 Ca -0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.16 2h68 n PHE 133 Cb 0.51 -0.70 -0.07 0.00 -0.94 0.00 0.00 39.48 38.28 2h68 n PHE 133 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h68 s ASN 136 N -2.57 -0.57 0.45 0.00 0.02 -0.66 -4.69 114.94 106.92 2h68 s ASN 136 Ca 0.00 0.70 -0.14 0.00 -1.02 0.00 0.00 52.86 52.40 2h68 s ASN 136 Cb 0.00 0.57 -0.07 0.00 0.02 0.00 0.00 41.25 41.77 2h68 s ASN 136 CO -0.10 -0.47 0.86 -0.36 0.02 0.00 0.00 177.10 177.05 2h68 s PHE 137 N -0.95 3.45 0.74 2.20 0.08 -1.26 -0.90 117.98 121.35 2h68 s PHE 137 Ca -0.06 1.25 -0.11 0.00 0.12 0.00 0.00 56.93 58.12 2h68 s PHE 137 Cb -0.01 -2.60 0.04 0.00 -0.57 0.00 0.00 43.02 39.87 2h68 s PHE 137 CO 0.06 -0.21 1.08 0.54 -0.10 0.00 0.00 175.22 176.59 2h68 s ASN 138 N -3.05 4.93 0.28 1.36 4.22 -0.64 -4.71 114.94 117.33 2h68 s ASN 138 Ca 0.55 1.55 0.01 0.00 -2.14 0.00 0.00 52.86 52.83 2h68 s ASN 138 Cb -0.10 -2.36 0.56 0.00 1.28 0.00 0.00 41.25 40.63 2h68 s ASN 138 CO 0.30 -1.73 1.82 -0.65 -2.04 0.00 0.00 177.10 174.80 2h68 h PRO 139 N -0.92 0.87 0.00 3.55 0.11 -1.86 0.43 132.00 134.19 2h68 h PRO 139 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2h68 h PRO 139 Cb 1.23 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2h68 h PRO 139 CO 0.57 0.58 -0.02 1.96 -0.21 0.00 0.00 178.00 180.87 2h68 h GLN 140 N 0.90 0.00 -1.17 1.05 7.50 -1.93 -3.41 115.11 118.06 2h68 h GLN 140 Ca 0.50 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 59.32 2h68 h GLN 140 Cb 0.56 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.99 2h68 h GLN 140 CO -0.29 0.02 -0.33 0.43 -1.50 0.00 0.00 178.83 177.16 2h68 n SER 141 N -3.26 -4.89 -0.05 1.46 7.64 0.14 -4.88 113.62 109.79 2h68 n SER 141 Ca -0.02 0.29 0.10 0.00 1.01 0.00 0.00 58.87 60.25 2h68 n SER 141 Cb 0.16 -3.85 -0.04 0.00 -1.01 0.00 0.00 64.21 59.47 2h68 n SER 141 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2h68 n ASN 142 N -0.71 1.01 -4.22 6.43 6.94 -1.26 -4.87 115.26 118.58 2h68 n ASN 142 Ca -0.17 -0.92 -0.18 0.00 -0.02 0.00 0.00 54.58 53.29 2h68 n ASN 142 Cb 0.56 0.81 -0.11 0.00 -2.36 0.00 0.00 39.78 38.68 2h68 n ASN 142 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2h68 s LEU 143 N -2.94 2.37 -0.02 -4.53 1.43 -1.26 -1.51 118.68 112.22 2h68 s LEU 143 Ca 0.10 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 2h68 s LEU 143 Cb 0.16 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 2h68 s LEU 143 CO 0.81 -0.13 -0.23 -0.63 0.23 0.00 0.00 176.35 176.40 2h68 s ILE 144 N -1.95 1.81 -0.02 -0.59 1.01 -0.60 -1.61 121.20 119.25 2h68 s ILE 144 Ca 0.06 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2h68 s ILE 144 Cb -0.06 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 2h68 s ILE 144 CO 0.03 0.50 -0.06 0.54 0.00 0.00 0.00 174.94 175.94 2h68 s VAL 145 N -0.55 3.69 0.06 2.92 0.11 -0.07 -0.59 120.40 125.97 2h68 s VAL 145 Ca 0.09 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 2h68 s VAL 145 Cb -0.09 -2.58 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2h68 s VAL 145 CO -0.01 0.45 -0.06 -0.94 -3.33 0.00 0.00 175.10 171.21 2h68 s SER 146 N -1.25 0.83 0.06 3.54 1.04 -0.26 -1.66 113.70 116.00 2h68 s SER 146 Ca 0.16 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.84 2h68 s SER 146 Cb -0.11 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 2h68 s SER 146 CO 0.06 -0.38 -0.13 -0.83 0.98 0.00 0.00 173.24 172.94 2h68 s GLY 147 N -2.34 0.76 0.06 7.32 0.00 -0.55 -1.63 107.32 110.94 2h68 s GLY 147 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2h68 s GLY 147 CO -0.03 -0.92 -0.05 -0.45 0.00 0.00 0.00 173.10 171.65 2h68 s SER 148 N -1.55 0.69 0.58 1.64 0.15 -1.08 -0.48 113.70 113.66 2h68 s SER 148 Ca -0.03 -0.83 0.29 0.00 0.70 0.00 0.00 55.95 56.09 2h68 s SER 148 Cb -0.09 0.12 1.45 0.00 -1.71 0.00 0.00 66.02 65.78 2h68 s SER 148 CO 0.02 -0.43 1.85 0.15 1.20 0.00 0.00 173.24 176.03 2h68 h PHE 149 N 3.63 0.00 0.00 3.44 3.57 -1.25 -1.26 116.94 125.07 2h68 h PHE 149 Ca -0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2h68 h PHE 149 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2h68 h PHE 149 CO 0.59 0.00 0.00 -0.40 -2.23 0.00 0.00 178.31 176.27 2h68 n ASP 150 N -3.80 0.00 0.00 0.41 5.68 -1.26 -4.17 116.55 113.41 2h68 n ASP 150 Ca 0.12 -0.48 0.00 0.00 -0.50 0.00 0.00 54.79 53.93 2h68 n ASP 150 Cb 0.80 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 2h68 n ASP 150 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2h68 n GLU 151 N -1.03 0.00 -4.03 0.11 1.02 -0.54 -5.01 120.64 111.15 2h68 n GLU 151 Ca 0.12 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.02 2h68 n GLU 151 Cb 0.06 -2.51 -0.04 0.00 -0.02 0.00 0.00 31.44 28.93 2h68 n GLU 151 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2h68 s SER 152 N -2.48 5.87 -0.13 1.62 1.04 -1.26 -2.29 113.70 116.07 2h68 s SER 152 Ca 0.00 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 2h68 s SER 152 Cb 0.00 -1.63 -0.02 0.00 0.10 0.00 0.00 66.02 64.47 2h68 s SER 152 CO 0.00 0.02 -0.11 -0.69 0.98 0.00 0.00 173.24 173.44 2h68 s VAL 153 N -1.87 3.29 0.03 5.02 1.01 -0.81 -2.62 120.40 124.45 2h68 s VAL 153 Ca 0.33 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.80 2h68 s VAL 153 Cb -0.10 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2h68 s VAL 153 CO 0.26 0.52 -0.21 -0.13 0.00 0.00 0.00 175.10 175.54 2h68 s ARG 154 N 0.26 2.03 -0.15 2.72 0.52 -0.64 0.51 118.95 124.19 2h68 s ARG 154 Ca -0.07 -0.99 -0.00 0.00 -0.52 0.00 0.00 55.73 54.14 2h68 s ARG 154 Cb -0.15 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 2h68 s ARG 154 CO 0.05 0.54 -0.14 0.42 0.02 0.00 0.00 175.30 176.19 2h68 s ILE 155 N -0.84 2.86 0.06 1.52 1.01 -0.44 -1.10 121.20 124.27 2h68 s ILE 155 Ca 0.13 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.15 2h68 s ILE 155 Cb -0.10 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2h68 s ILE 155 CO 0.03 0.51 -0.23 0.26 0.00 0.00 0.00 174.94 175.51 2h68 s TRP 156 N 0.68 2.01 -0.25 3.97 0.52 0.24 -0.19 118.94 125.92 2h68 s TRP 156 Ca -0.07 -0.39 -0.26 0.00 0.02 0.00 0.00 56.10 55.40 2h68 s TRP 156 Cb -0.16 -1.18 -0.00 0.00 -1.15 0.00 0.00 33.47 30.99 2h68 s TRP 156 CO 0.02 0.14 0.88 0.34 0.02 0.00 0.00 176.95 178.35 2h68 s ASP 157 N -1.38 6.87 0.16 2.95 2.15 -0.15 -1.55 116.67 125.72 2h68 s ASP 157 Ca 0.09 1.06 -0.15 0.00 0.43 0.00 0.00 52.55 53.99 2h68 s ASP 157 Cb -0.09 -2.46 0.04 0.00 -0.30 0.00 0.00 42.92 40.10 2h68 s ASP 157 CO 0.03 -0.58 1.76 0.58 -0.17 0.00 0.00 175.17 176.79 2h68 h VAL 158 N 5.47 1.17 -0.33 1.11 2.07 -1.60 0.37 116.25 124.50 2h68 h VAL 158 Ca -0.22 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2h68 h VAL 158 Cb 1.08 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2h68 h VAL 158 CO 0.90 0.18 0.19 0.50 0.02 0.00 0.00 177.57 179.37 2h68 h LYS 159 N 0.63 0.38 0.00 1.57 3.64 -1.93 -3.29 116.57 117.58 2h68 h LYS 159 Ca 0.17 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2h68 h LYS 159 Cb 0.06 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2h68 h LYS 159 CO -0.03 0.25 -1.91 0.25 -2.27 0.00 0.00 179.45 175.75 2h68 n THR 160 N -4.90 0.01 -0.97 1.00 -2.24 -1.20 -4.98 114.28 100.99 2h68 n THR 160 Ca -0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2h68 n THR 160 Cb 0.05 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2h68 n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h68 n GLY 161 N 1.38 0.63 3.82 3.38 0.00 0.13 -5.02 105.19 109.51 2h68 n GLY 161 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2h68 n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h68 s LYS 162 N -0.18 4.22 -0.20 1.61 -2.85 -1.24 -4.72 119.74 116.38 2h68 s LYS 162 Ca 0.00 0.88 -0.29 0.00 -1.00 0.00 0.00 55.97 55.56 2h68 s LYS 162 Cb 0.00 -2.70 -0.01 0.00 -2.06 0.00 0.00 37.83 33.06 2h68 s LYS 162 CO 0.00 0.28 1.30 0.00 0.10 0.00 0.00 175.35 177.03 2h68 h LEU 164 N 10.12 0.54 -7.56 0.00 3.38 -0.92 -3.48 115.31 117.40 2h68 h LEU 164 Ca -0.27 -0.78 -0.17 0.00 0.09 0.00 0.00 57.88 56.75 2h68 h LEU 164 Cb 1.11 -0.18 -0.25 0.00 0.09 0.00 0.00 40.66 41.43 2h68 h LEU 164 CO 0.99 1.65 -0.48 -0.54 0.09 0.00 0.00 178.44 180.15 2h68 s LYS 165 N -2.59 0.29 -0.22 1.13 1.02 -1.04 -5.00 119.74 113.32 2h68 s LYS 165 Ca -0.13 0.16 -0.00 0.00 0.02 0.00 0.00 55.97 56.01 2h68 s LYS 165 Cb 0.06 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.53 2h68 s LYS 165 CO 0.86 -0.05 -0.11 0.99 -0.92 0.00 0.00 175.35 176.12 2h68 s THR 166 N -0.18 2.56 -0.20 2.17 2.01 -1.26 -1.33 115.64 119.41 2h68 s THR 166 Ca -0.03 -1.02 -0.14 0.00 0.31 0.00 0.00 61.69 60.82 2h68 s THR 166 Cb -0.03 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2h68 s THR 166 CO 0.01 0.31 0.29 -0.76 -0.69 0.00 0.00 174.62 173.78 2h68 s LEU 167 N 1.30 4.17 -1.19 4.42 1.43 0.18 -4.97 118.68 124.02 2h68 s LEU 167 Ca 0.01 0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 2h68 s LEU 167 Cb -0.16 -2.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 2h68 s LEU 167 CO -0.07 0.02 2.30 -0.81 0.23 0.00 0.00 176.35 178.01 2h68 n PRO 168 N 4.16 2.52 0.03 1.29 -0.04 -1.26 -1.92 135.00 139.78 2h68 n PRO 168 Ca -0.11 -2.03 -0.13 0.00 -0.04 0.00 0.00 63.50 61.19 2h68 n PRO 168 Cb 0.52 -2.87 -0.01 0.00 -0.04 0.00 0.00 33.50 31.10 2h68 n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h68 h ALA 169 N 6.31 0.48 -2.81 0.55 0.00 -1.90 -3.48 119.26 118.42 2h68 h ALA 169 Ca 0.59 -0.61 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2h68 h ALA 169 Cb 0.44 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 2h68 h ALA 169 CO 1.77 0.74 -0.24 -1.01 0.00 0.00 0.00 179.25 180.50 2h68 s HIS 170 N -3.65 0.73 -0.21 0.00 3.76 -0.97 -5.01 115.29 109.93 2h68 s HIS 170 Ca -0.07 -1.02 0.15 0.00 -0.15 0.00 0.00 55.06 53.96 2h68 s HIS 170 Cb 0.10 -0.04 0.35 0.00 1.11 0.00 0.00 32.58 34.09 2h68 s HIS 170 CO 0.86 -0.96 1.24 -1.13 -0.85 0.00 0.00 174.74 173.91 2h68 n SER 171 N -0.65 2.94 -3.78 1.40 3.41 -1.26 -4.77 113.62 110.91 2h68 n SER 171 Ca -0.00 -2.83 -0.08 0.00 -0.26 0.00 0.00 58.87 55.70 2h68 n SER 171 Cb 0.63 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 2h68 n SER 171 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2h68 s ASP 172 N -2.12 -0.16 0.38 4.04 1.01 -1.26 -4.89 116.67 113.66 2h68 s ASP 172 Ca 0.31 -0.76 -0.25 0.00 0.71 0.00 0.00 52.55 52.56 2h68 s ASP 172 Cb 0.25 0.71 -0.13 0.00 1.01 0.00 0.00 42.92 44.77 2h68 s ASP 172 CO 0.06 -1.34 0.79 -2.65 0.21 0.00 0.00 175.17 172.25 2h68 n PRO 173 N -0.45 0.94 -3.09 8.23 -0.02 -1.26 -4.40 135.00 134.96 2h68 n PRO 173 Ca -0.04 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 2h68 n PRO 173 Cb 0.60 -1.71 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 2h68 n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h68 s VAL 174 N -1.28 4.94 -0.14 -1.45 1.01 -0.79 -2.15 120.40 120.54 2h68 s VAL 174 Ca 0.62 1.05 0.18 0.00 0.00 0.00 0.00 61.98 63.83 2h68 s VAL 174 Cb -0.63 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 31.65 2h68 s VAL 174 CO 0.58 -0.06 0.86 -1.54 0.00 0.00 0.00 175.10 174.94 2h68 n SER 175 N 5.83 0.85 -3.57 3.32 3.41 -0.12 -4.14 113.62 119.20 2h68 n SER 175 Ca -0.00 0.37 -0.15 0.00 -0.26 0.00 0.00 58.87 58.82 2h68 n SER 175 Cb 0.49 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 2h68 n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h68 s ALA 176 N -3.01 -1.46 -0.10 7.33 0.00 -1.23 -4.75 121.76 118.54 2h68 s ALA 176 Ca -0.02 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 2h68 s ALA 176 Cb 0.09 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.44 2h68 s ALA 176 CO 0.81 -0.43 0.26 0.14 0.00 0.00 0.00 175.76 176.54 2h68 s VAL 177 N -1.81 -0.00 -0.18 0.00 -7.23 -1.26 -2.01 120.40 107.90 2h68 s VAL 177 Ca -0.09 0.01 -0.16 0.00 -1.81 0.00 0.00 61.98 59.93 2h68 s VAL 177 Cb -0.01 -0.36 0.05 0.00 0.56 0.00 0.00 36.38 36.61 2h68 s VAL 177 CO 0.04 0.00 0.48 -2.28 -0.31 0.00 0.00 175.10 173.03 2h68 s HIS 178 N 0.22 -0.54 0.28 2.82 5.04 -0.65 -4.59 115.29 117.88 2h68 s HIS 178 Ca -0.01 1.30 -0.09 0.00 -1.54 0.00 0.00 55.06 54.72 2h68 s HIS 178 Cb -0.02 0.19 -0.07 0.00 0.04 0.00 0.00 32.58 32.72 2h68 s HIS 178 CO -0.00 -0.26 0.60 -0.06 -2.34 0.00 0.00 174.74 172.67 2h68 s PHE 179 N 0.32 3.44 0.89 3.88 0.08 -1.26 -0.66 117.98 124.66 2h68 s PHE 179 Ca -0.01 0.87 -0.14 0.00 0.12 0.00 0.00 56.93 57.78 2h68 s PHE 179 Cb -0.04 -2.27 0.15 0.00 -0.57 0.00 0.00 43.02 40.29 2h68 s PHE 179 CO -0.00 0.18 1.25 0.54 -0.10 0.00 0.00 175.22 177.08 2h68 s ASN 180 N -2.67 3.71 0.43 1.36 4.22 -0.62 -4.80 114.94 116.56 2h68 s ASN 180 Ca 0.48 0.42 0.12 0.00 -2.14 0.00 0.00 52.86 51.74 2h68 s ASN 180 Cb -0.11 -0.66 0.98 0.00 1.28 0.00 0.00 41.25 42.74 2h68 s ASN 180 CO 0.24 -2.37 2.00 -0.09 -2.04 0.00 0.00 177.10 174.85 2h68 h ARG 181 N -1.35 0.44 -0.02 3.55 2.43 -1.88 -1.27 114.38 116.27 2h68 h ARG 181 Ca -0.45 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2h68 h ARG 181 Cb 1.27 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2h68 h ARG 181 CO 0.49 0.29 -0.12 -0.40 -1.51 0.00 0.00 179.97 178.72 2h68 n ASP 182 N -4.47 2.36 0.00 -3.80 5.68 -1.26 -4.79 116.55 110.27 2h68 n ASP 182 Ca 0.08 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2h68 n ASP 182 Cb 0.27 0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 2h68 n ASP 182 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h68 n GLY 183 N 1.33 1.32 0.16 6.12 0.00 -0.48 -4.91 105.19 108.73 2h68 n GLY 183 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2h68 n GLY 183 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2h68 h SER 184 N 0.00 0.00 -4.20 1.61 4.64 -1.93 -3.44 113.55 110.23 2h68 h SER 184 Ca 0.00 -0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 60.83 2h68 h SER 184 Cb 0.00 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 61.88 2h68 h SER 184 CO 0.00 0.00 -0.79 -0.76 -0.87 0.00 0.00 176.83 174.41 2h68 s LEU 185 N -5.37 2.32 -0.04 5.97 1.43 -1.26 -1.24 118.68 120.49 2h68 s LEU 185 Ca 0.08 -0.70 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2h68 s LEU 185 Cb 0.09 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 2h68 s LEU 185 CO 0.64 -0.03 -0.25 -0.63 0.23 0.00 0.00 176.35 176.31 2h68 s ILE 186 N -1.45 2.04 -0.09 -0.59 1.01 -0.26 -1.59 121.20 120.26 2h68 s ILE 186 Ca 0.05 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 2h68 s ILE 186 Cb -0.09 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 2h68 s ILE 186 CO 0.04 0.57 -0.05 0.54 0.00 0.00 0.00 174.94 176.04 2h68 s VAL 187 N -0.40 3.87 0.15 2.92 0.11 0.16 0.28 120.40 127.49 2h68 s VAL 187 Ca 0.04 -0.41 0.07 0.00 -2.93 0.00 0.00 61.98 58.75 2h68 s VAL 187 Cb -0.12 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 2h68 s VAL 187 CO 0.01 0.58 -0.16 -0.94 -3.33 0.00 0.00 175.10 171.26 2h68 s SER 188 N -0.58 2.39 0.12 3.54 1.04 -0.12 -1.64 113.70 118.45 2h68 s SER 188 Ca 0.09 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.70 2h68 s SER 188 Cb -0.12 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 2h68 s SER 188 CO 0.02 -0.09 -0.10 -0.94 0.98 0.00 0.00 173.24 173.11 2h68 s SER 189 N -2.63 1.57 0.06 7.02 1.04 -0.85 -1.32 113.70 118.60 2h68 s SER 189 Ca 0.13 -0.93 -0.10 0.00 0.48 0.00 0.00 55.95 55.53 2h68 s SER 189 Cb -0.05 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2h68 s SER 189 CO 0.05 -0.32 0.22 -0.55 0.98 0.00 0.00 173.24 173.62 2h68 s SER 190 N -2.86 0.04 0.04 7.02 0.15 -0.96 -0.95 113.70 116.18 2h68 s SER 190 Ca 0.12 -0.46 0.09 0.00 0.70 0.00 0.00 55.95 56.39 2h68 s SER 190 Cb 0.01 0.33 0.39 0.00 -1.71 0.00 0.00 66.02 65.03 2h68 s SER 190 CO -0.00 -0.65 1.27 -1.22 1.20 0.00 0.00 173.24 173.84 2h68 n TYR 191 N 0.31 0.10 0.58 3.44 4.01 -0.91 -1.29 117.16 123.39 2h68 n TYR 191 Ca -0.17 0.05 0.07 0.00 -0.16 0.00 0.00 57.90 57.68 2h68 n TYR 191 Cb 0.61 -0.57 0.33 0.00 -0.31 0.00 0.00 39.34 39.39 2h68 n TYR 191 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2h68 n ASP 192 N -1.60 0.00 0.00 7.72 5.68 -1.26 -4.28 116.55 122.81 2h68 n ASP 192 Ca 0.01 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 2h68 n ASP 192 Cb 0.08 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 2h68 n ASP 192 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h68 n GLY 193 N -0.07 0.74 3.75 6.12 0.00 -0.83 -4.93 105.19 109.97 2h68 n GLY 193 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2h68 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h68 s LEU 194 N 0.00 3.72 -0.08 0.99 1.43 -1.25 -4.52 118.68 118.97 2h68 s LEU 194 Ca 0.00 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2h68 s LEU 194 Cb 0.00 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 2h68 s LEU 194 CO 0.00 0.21 -0.18 0.00 0.23 0.00 0.00 176.35 176.61 2h68 s ARG 196 N -0.16 1.25 -0.15 0.00 0.52 -0.43 -0.58 118.95 119.40 2h68 s ARG 196 Ca -0.02 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.40 2h68 s ARG 196 Cb -0.14 -1.28 -0.02 0.00 0.52 0.00 0.00 34.95 34.03 2h68 s ARG 196 CO 0.04 0.33 -0.07 0.42 0.02 0.00 0.00 175.30 176.04 2h68 s ILE 197 N -0.67 3.58 0.05 1.52 -1.09 0.07 -0.95 121.20 123.72 2h68 s ILE 197 Ca 0.05 -0.47 0.09 0.00 -2.23 0.00 0.00 60.65 58.10 2h68 s ILE 197 Cb -0.08 -2.55 -0.03 0.00 -1.58 0.00 0.00 42.46 38.22 2h68 s ILE 197 CO 0.01 0.50 -0.26 0.26 -1.23 0.00 0.00 174.94 174.21 2h68 s TRP 198 N 0.44 2.32 -0.17 3.97 0.52 0.14 -0.24 118.94 125.93 2h68 s TRP 198 Ca -0.06 -0.41 -0.28 0.00 0.02 0.00 0.00 56.10 55.37 2h68 s TRP 198 Cb -0.15 -1.38 -0.00 0.00 -1.15 0.00 0.00 33.47 30.79 2h68 s TRP 198 CO 0.04 0.15 0.97 0.34 0.02 0.00 0.00 176.95 178.46 2h68 s ASP 199 N -1.32 7.10 0.10 2.95 2.15 -0.18 -1.10 116.67 126.37 2h68 s ASP 199 Ca 0.12 1.36 -0.23 0.00 0.43 0.00 0.00 52.55 54.23 2h68 s ASP 199 Cb -0.10 -2.52 -0.11 0.00 -0.30 0.00 0.00 42.92 39.89 2h68 s ASP 199 CO 0.02 -0.52 1.71 0.74 -0.17 0.00 0.00 175.17 176.96 2h68 h THR 200 N 5.26 0.82 -0.73 1.71 2.02 -1.45 0.12 112.91 120.66 2h68 h THR 200 Ca -0.26 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 2h68 h THR 200 Cb 1.11 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 2h68 h THR 200 CO 0.90 0.00 0.26 0.00 0.37 0.00 0.00 175.52 177.04 2h68 h ALA 201 N 0.86 0.95 0.00 6.16 0.00 -1.90 -3.24 119.26 122.08 2h68 h ALA 201 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2h68 h ALA 201 Cb 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2h68 h ALA 201 CO -0.07 0.60 -1.84 -1.13 0.00 0.00 0.00 179.25 176.81 2h68 n SER 202 N -4.31 0.15 -0.01 0.00 3.41 -1.21 -4.99 113.62 106.66 2h68 n SER 202 Ca 0.06 -0.14 -0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2h68 n SER 202 Cb 0.20 1.84 -0.00 0.00 -0.26 0.00 0.00 64.21 65.99 2h68 n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h68 n GLY 203 N 1.29 0.35 3.79 5.00 0.00 0.41 -5.01 105.19 111.03 2h68 n GLY 203 Ca -0.03 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2h68 n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2h68 s GLN 204 N -0.67 4.47 -0.30 1.61 -1.52 -1.24 -4.79 119.66 117.21 2h68 s GLN 204 Ca 0.00 1.12 -0.29 0.00 -1.95 0.00 0.00 55.36 54.24 2h68 s GLN 204 Cb 0.00 -2.97 0.01 0.00 -0.22 0.00 0.00 33.01 29.83 2h68 s GLN 204 CO 0.00 0.41 1.11 0.00 -0.25 0.00 0.00 175.29 176.56 2h68 n LEU 206 N 6.91 0.87 -3.68 0.00 4.77 0.67 -4.95 117.00 121.59 2h68 n LEU 206 Ca 0.12 0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 2h68 n LEU 206 Cb 0.47 0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 2h68 n LEU 206 CO 0.59 0.34 0.21 -0.75 -1.33 0.00 0.00 177.39 176.45 2h68 s LYS 207 N -2.66 0.58 -0.17 3.23 2.47 -1.12 -4.99 119.74 117.09 2h68 s LYS 207 Ca -0.04 0.88 -0.02 0.00 -1.56 0.00 0.00 55.97 55.23 2h68 s LYS 207 Cb 0.08 0.17 -0.01 0.00 -1.46 0.00 0.00 37.83 36.61 2h68 s LYS 207 CO 0.82 -0.12 -0.10 0.99 0.16 0.00 0.00 175.35 177.11 2h68 s THR 208 N 0.93 3.11 -0.18 3.43 2.01 -1.26 -0.75 115.64 122.93 2h68 s THR 208 Ca -0.05 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 2h68 s THR 208 Cb -0.05 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 2h68 s THR 208 CO -0.08 0.48 0.21 -0.76 -0.69 0.00 0.00 174.62 173.79 2h68 s LEU 209 N 0.91 4.23 0.14 4.42 1.43 0.25 -5.00 118.68 125.06 2h68 s LEU 209 Ca -0.02 0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 2h68 s LEU 209 Cb -0.15 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2h68 s LEU 209 CO -0.00 0.15 -0.17 0.27 0.23 0.00 0.00 176.35 176.83 2h68 s ILE 210 N 0.36 1.63 0.02 -0.59 -4.36 -1.26 -2.70 121.20 114.30 2h68 s ILE 210 Ca 0.12 -1.81 0.04 0.00 -0.26 0.00 0.00 60.65 58.75 2h68 s ILE 210 Cb -0.12 -1.70 -0.02 0.00 1.25 0.00 0.00 42.46 41.87 2h68 s ILE 210 CO 0.01 -0.33 -0.13 -0.62 0.24 0.00 0.00 174.94 174.10 2h68 s ASP 211 N -2.52 1.59 0.34 4.36 2.15 -1.26 -5.07 116.67 116.25 2h68 s ASP 211 Ca 0.12 -0.39 0.04 0.00 0.43 0.00 0.00 52.55 52.75 2h68 s ASP 211 Cb -0.06 -0.12 0.62 0.00 -0.30 0.00 0.00 42.92 43.06 2h68 s ASP 211 CO 0.05 0.06 1.90 0.44 -0.17 0.00 0.00 175.17 177.45 2h68 h ASP 212 N 5.19 0.52 0.58 -0.34 5.19 -2.01 -2.16 116.42 123.38 2h68 h ASP 212 Ca -0.37 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2h68 h ASP 212 Cb 1.18 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2h68 h ASP 212 CO 0.45 0.55 -0.36 0.47 -3.12 0.00 0.00 179.24 177.24 2h68 n ASP 213 N -4.31 0.43 -3.62 6.45 9.92 -1.26 -4.98 116.55 119.18 2h68 n ASP 213 Ca 0.02 -0.15 -0.23 0.00 -0.53 0.00 0.00 54.79 53.90 2h68 n ASP 213 Cb 0.22 0.07 0.07 0.00 -0.64 0.00 0.00 41.12 40.83 2h68 n ASP 213 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2h68 n ASN 214 N -1.42 -4.13 -4.77 -2.24 5.15 -0.82 -4.93 115.26 102.11 2h68 n ASN 214 Ca 0.07 -0.64 -0.38 0.00 -0.60 0.00 0.00 54.58 53.02 2h68 n ASN 214 Cb 0.33 -4.73 -0.01 0.00 -0.53 0.00 0.00 39.78 34.85 2h68 n ASN 214 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2h68 s PRO 215 N -6.04 3.83 0.18 1.20 0.04 -1.26 -4.53 135.00 128.41 2h68 s PRO 215 Ca 0.35 1.95 -0.33 0.00 0.04 0.00 0.00 61.00 63.01 2h68 s PRO 215 Cb -0.16 -2.56 -0.15 0.00 0.04 0.00 0.00 34.50 31.67 2h68 s PRO 215 CO 0.76 -0.55 1.33 -2.30 0.04 0.00 0.00 177.00 176.28 2h68 n PRO 216 N -0.22 1.60 -3.36 0.56 -0.02 -1.26 -4.20 135.00 128.09 2h68 n PRO 216 Ca 0.06 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 2h68 n PRO 216 Cb 0.46 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 2h68 n PRO 216 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h68 s VAL 217 N 0.10 5.13 -0.70 -1.45 1.01 -0.41 -1.13 120.40 122.94 2h68 s VAL 217 Ca 0.74 0.18 0.22 0.00 0.00 0.00 0.00 61.98 63.11 2h68 s VAL 217 Cb -0.77 -3.85 -0.24 0.00 0.00 0.00 0.00 36.38 31.53 2h68 s VAL 217 CO 0.49 -0.10 0.83 -1.54 0.00 0.00 0.00 175.10 174.77 2h68 n SER 218 N 5.47 0.68 -3.57 3.32 3.41 0.35 -3.25 113.62 120.02 2h68 n SER 218 Ca -0.08 -0.62 -0.14 0.00 -0.26 0.00 0.00 58.87 57.78 2h68 n SER 218 Cb 0.49 1.21 -0.06 0.00 -0.26 0.00 0.00 64.21 65.59 2h68 n SER 218 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2h68 s PHE 219 N -3.16 -0.57 0.01 7.33 5.36 -1.19 -4.40 117.98 121.36 2h68 s PHE 219 Ca 0.03 1.14 -0.17 0.00 -0.96 0.00 0.00 56.93 56.98 2h68 s PHE 219 Cb 0.15 0.39 0.03 0.00 -0.34 0.00 0.00 43.02 43.25 2h68 s PHE 219 CO 0.87 -0.44 0.37 0.54 -1.46 0.00 0.00 175.22 175.09 2h68 s VAL 220 N -0.68 0.06 0.01 3.12 0.11 -1.26 -0.48 120.40 121.28 2h68 s VAL 220 Ca -0.04 -0.49 -0.26 0.00 -2.93 0.00 0.00 61.98 58.26 2h68 s VAL 220 Cb -0.02 -0.82 0.06 0.00 -1.53 0.00 0.00 36.38 34.07 2h68 s VAL 220 CO 0.04 -0.27 0.60 -1.59 -3.33 0.00 0.00 175.10 170.55 2h68 s LYS 221 N -1.95 1.06 0.57 1.54 -2.85 -0.72 -4.61 119.74 112.78 2h68 s LYS 221 Ca -0.09 -0.01 -0.18 0.00 -1.00 0.00 0.00 55.97 54.69 2h68 s LYS 221 Cb -0.02 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2h68 s LYS 221 CO 0.01 -0.37 1.10 -0.06 0.10 0.00 0.00 175.35 176.13 2h68 s PHE 222 N -1.92 2.76 0.83 1.78 0.08 -1.26 -0.57 117.98 119.67 2h68 s PHE 222 Ca -0.08 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.41 2h68 s PHE 222 Cb -0.01 -3.18 0.09 0.00 -0.57 0.00 0.00 43.02 39.36 2h68 s PHE 222 CO 0.03 -1.42 1.10 -1.54 -0.10 0.00 0.00 175.22 173.29 2h68 s SER 223 N -2.20 3.99 0.33 1.36 1.04 -0.11 -4.83 113.70 113.29 2h68 s SER 223 Ca 0.69 1.79 0.09 0.00 0.48 0.00 0.00 55.95 59.01 2h68 s SER 223 Cb -0.20 -2.45 0.85 0.00 0.10 0.00 0.00 66.02 64.32 2h68 s SER 223 CO 0.32 -2.36 1.78 -0.65 0.98 0.00 0.00 173.24 173.31 2h68 h PRO 224 N -1.35 0.63 -0.00 4.02 0.11 -1.96 -0.44 132.00 133.00 2h68 h PRO 224 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2h68 h PRO 224 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2h68 h PRO 224 CO 0.51 0.42 -0.05 0.27 -0.21 0.00 0.00 178.00 178.93 2h68 n ASN 225 N -4.72 0.22 0.00 -2.05 0.23 -1.26 -4.74 115.26 102.94 2h68 n ASN 225 Ca 0.23 -0.44 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 2h68 n ASN 225 Cb 0.65 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2h68 n ASN 225 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2h68 n GLY 226 N 1.25 0.39 0.12 4.83 0.00 -0.18 -4.89 105.19 106.71 2h68 n GLY 226 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2h68 n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h68 h LYS 227 N 0.91 0.00 -5.75 1.61 1.57 -1.92 -3.46 116.57 109.53 2h68 h LYS 227 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2h68 h LYS 227 Cb 0.28 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.45 2h68 h LYS 227 CO 0.00 0.04 -0.73 0.71 -0.57 0.00 0.00 179.45 178.90 2h68 s TYR 228 N -3.30 1.91 0.07 -1.35 2.02 -1.26 -4.16 117.35 111.29 2h68 s TYR 228 Ca -0.00 -0.51 0.09 0.00 -0.37 0.00 0.00 57.07 56.27 2h68 s TYR 228 Cb 0.09 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.73 2h68 s TYR 228 CO 0.79 0.46 -0.24 0.96 -1.57 0.00 0.00 175.55 175.94 2h68 s ILE 229 N -2.84 2.00 -0.23 2.71 -4.36 -0.60 -0.94 121.20 116.94 2h68 s ILE 229 Ca 0.25 -1.44 -0.06 0.00 -0.26 0.00 0.00 60.65 59.14 2h68 s ILE 229 Cb -0.01 -1.74 -0.02 0.00 1.25 0.00 0.00 42.46 41.93 2h68 s ILE 229 CO 0.10 0.21 0.04 -0.22 0.24 0.00 0.00 174.94 175.31 2h68 s LEU 230 N -1.49 3.33 -0.05 0.37 2.96 0.26 -0.98 118.68 123.09 2h68 s LEU 230 Ca 0.11 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2h68 s LEU 230 Cb -0.10 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 2h68 s LEU 230 CO 0.03 -0.00 -0.22 0.00 -1.32 0.00 0.00 176.35 174.84 2h68 s ALA 231 N 1.42 1.87 -0.14 5.97 0.00 -0.03 -1.75 121.76 129.10 2h68 s ALA 231 Ca 0.05 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 2h68 s ALA 231 Cb -0.15 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2h68 s ALA 231 CO 0.02 0.37 0.10 0.00 0.00 0.00 0.00 175.76 176.24 2h68 s ALA 232 N -0.13 3.65 0.19 0.00 0.00 0.37 -0.53 121.76 125.30 2h68 s ALA 232 Ca -0.02 -0.70 0.10 0.00 0.00 0.00 0.00 51.96 51.34 2h68 s ALA 232 Cb -0.12 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2h68 s ALA 232 CO 0.03 0.47 -0.20 0.95 0.00 0.00 0.00 175.76 177.01 2h68 s THR 233 N -0.56 2.02 -0.51 0.00 -4.23 -0.45 -0.50 115.64 111.42 2h68 s THR 233 Ca 0.12 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 2h68 s THR 233 Cb -0.12 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.75 2h68 s THR 233 CO 0.02 -0.29 0.71 0.18 -0.54 0.00 0.00 174.62 174.71 2h68 n LEU 234 N 0.16 1.90 -1.77 4.79 4.77 -0.28 -2.99 117.00 123.58 2h68 n LEU 234 Ca -0.12 -0.95 -0.19 0.00 -0.03 0.00 0.00 56.01 54.72 2h68 n LEU 234 Cb 0.57 -0.48 0.11 0.00 -2.33 0.00 0.00 43.42 41.29 2h68 n LEU 234 CO 0.30 0.36 0.70 -0.90 -1.33 0.00 0.00 177.39 176.52 2h68 n ASP 235 N 0.27 4.57 -3.47 -1.43 5.68 -1.23 -4.28 116.55 116.66 2h68 n ASP 235 Ca 0.00 -3.78 -0.24 0.00 -0.50 0.00 0.00 54.79 50.28 2h68 n ASP 235 Cb 0.36 -0.62 0.07 0.00 -1.14 0.00 0.00 41.12 39.79 2h68 n ASP 235 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2h68 n ASN 236 N -0.93 -6.34 -3.82 -1.12 3.02 -0.55 -4.98 115.26 100.54 2h68 n ASN 236 Ca 0.45 -0.49 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 2h68 n ASN 236 Cb 0.94 -5.01 -0.15 0.00 -0.61 0.00 0.00 39.78 34.95 2h68 n ASN 236 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2h68 s THR 237 N -3.29 -0.03 -0.09 3.41 2.01 -1.22 -4.46 115.64 111.97 2h68 s THR 237 Ca 0.53 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.62 2h68 s THR 237 Cb -0.23 -0.05 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 2h68 s THR 237 CO 0.65 0.05 0.01 -0.76 -0.69 0.00 0.00 174.62 173.88 2h68 s LEU 238 N 0.55 3.64 0.00 4.42 1.43 -0.65 -1.34 118.68 126.73 2h68 s LEU 238 Ca -0.05 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 2h68 s LEU 238 Cb -0.07 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2h68 s LEU 238 CO -0.02 0.38 -0.11 -0.54 0.23 0.00 0.00 176.35 176.29 2h68 s LYS 239 N -0.86 0.89 -0.26 1.70 1.02 0.31 -0.46 119.74 122.08 2h68 s LYS 239 Ca 0.13 -0.47 -0.09 0.00 0.02 0.00 0.00 55.97 55.56 2h68 s LYS 239 Cb -0.11 -0.86 -0.04 0.00 -0.52 0.00 0.00 37.83 36.30 2h68 s LYS 239 CO 0.02 0.23 0.11 -1.17 -0.92 0.00 0.00 175.35 173.62 2h68 s LEU 240 N -0.46 3.65 -0.08 3.17 2.96 -0.19 -0.85 118.68 126.88 2h68 s LEU 240 Ca 0.03 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 2h68 s LEU 240 Cb -0.05 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 2h68 s LEU 240 CO -0.00 -0.03 -0.12 0.26 -1.32 0.00 0.00 176.35 175.14 2h68 s TRP 241 N 1.60 2.79 -0.72 5.38 0.52 -0.15 0.05 118.94 128.40 2h68 s TRP 241 Ca 0.06 -0.28 -0.24 0.00 0.02 0.00 0.00 56.10 55.66 2h68 s TRP 241 Cb -0.15 -1.72 0.06 0.00 -1.15 0.00 0.00 33.47 30.50 2h68 s TRP 241 CO 0.06 0.08 1.11 0.34 0.02 0.00 0.00 176.95 178.56 2h68 s ASP 242 N -0.36 6.21 0.38 2.95 -1.08 0.52 -1.56 116.67 123.73 2h68 s ASP 242 Ca 0.04 -0.89 0.12 0.00 -0.52 0.00 0.00 52.55 51.30 2h68 s ASP 242 Cb -0.12 -2.48 0.75 0.00 -1.46 0.00 0.00 42.92 39.61 2h68 s ASP 242 CO 0.02 -1.56 1.86 0.10 0.52 0.00 0.00 175.17 176.11 2h68 h TYR 243 N 9.70 0.06 -0.57 -5.34 -0.00 -1.83 0.42 116.97 119.41 2h68 h TYR 243 Ca -0.23 -0.01 -0.08 0.00 0.00 0.00 0.00 58.73 58.41 2h68 h TYR 243 Cb 1.06 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 37.75 2h68 h TYR 243 CO 1.06 0.36 0.04 0.77 -0.00 0.00 0.00 178.16 180.39 2h68 h SER 244 N 0.05 0.96 0.99 0.10 0.02 -1.91 -2.64 113.55 111.12 2h68 h SER 244 Ca 0.01 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2h68 h SER 244 Cb 0.57 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2h68 h SER 244 CO 0.04 1.01 -0.38 0.29 -1.14 0.00 0.00 176.83 176.65 2h68 n LYS 245 N -4.27 0.21 -3.36 3.45 5.02 -1.13 -4.95 118.16 113.13 2h68 n LYS 245 Ca 0.02 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.22 2h68 n LYS 245 Cb 0.31 -1.67 0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2h68 n LYS 245 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h68 n GLY 246 N 1.37 -0.24 3.18 0.72 0.00 0.04 -5.02 105.19 105.25 2h68 n GLY 246 Ca 0.05 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2h68 n GLY 246 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h68 s LYS 247 N -5.99 2.93 -0.29 1.61 2.20 -0.61 -4.99 119.74 114.60 2h68 s LYS 247 Ca 0.44 -0.83 -0.27 0.00 -0.36 0.00 0.00 55.97 54.95 2h68 s LYS 247 Cb -0.19 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.85 2h68 s LYS 247 CO 0.58 0.09 0.95 0.00 -0.36 0.00 0.00 175.35 176.61 2h68 n LEU 249 N 6.46 2.57 -3.98 0.00 4.77 0.11 -4.97 117.00 121.96 2h68 n LEU 249 Ca 0.09 0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 2h68 n LEU 249 Cb 0.47 -0.99 -0.11 0.00 -2.33 0.00 0.00 43.42 40.47 2h68 n LEU 249 CO 0.54 0.84 -0.32 -0.54 -1.33 0.00 0.00 177.39 176.58 2h68 s LYS 250 N -2.55 0.41 0.06 3.23 -0.14 -1.13 -5.00 119.74 114.62 2h68 s LYS 250 Ca -0.24 -0.70 0.06 0.00 -1.36 0.00 0.00 55.97 53.73 2h68 s LYS 250 Cb 0.07 0.15 -0.03 0.00 -1.68 0.00 0.00 37.83 36.34 2h68 s LYS 250 CO 0.74 -0.08 -0.15 0.95 -0.76 0.00 0.00 175.35 176.05 2h68 s THR 251 N -1.99 1.23 -0.10 2.17 -4.23 -1.26 -1.02 115.64 110.43 2h68 s THR 251 Ca -0.11 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 2h68 s THR 251 Cb -0.06 -1.13 0.02 0.00 1.34 0.00 0.00 72.50 72.67 2h68 s THR 251 CO -0.03 -0.09 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.56 2h68 s TYR 252 N -1.06 1.55 0.36 3.99 2.02 0.39 -4.85 117.35 119.76 2h68 s TYR 252 Ca 0.01 -0.74 0.05 0.00 -0.37 0.00 0.00 57.07 56.02 2h68 s TYR 252 Cb -0.09 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.21 2h68 s TYR 252 CO 0.02 -0.47 0.18 0.95 -1.57 0.00 0.00 175.55 174.66 2h68 s THR 253 N 1.41 0.37 0.00 -0.71 -4.23 -1.26 -1.64 115.64 109.58 2h68 s THR 253 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2h68 s THR 253 Cb -0.13 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2h68 s THR 253 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2h68 n GLY 254 N -0.74 2.53 3.99 3.99 0.00 -1.26 -4.88 105.19 108.82 2h68 n GLY 254 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2h68 n GLY 254 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2h68 s HIS 255 N -2.30 1.46 -0.18 1.61 -3.43 -1.26 -5.10 115.29 106.08 2h68 s HIS 255 Ca 0.00 -0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 53.96 2h68 s HIS 255 Cb 0.00 -3.04 0.00 0.00 -1.43 0.00 0.00 32.58 28.11 2h68 s HIS 255 CO 0.00 -1.81 -0.12 0.21 -2.00 0.00 0.00 174.74 171.01 2h68 s LYS 256 N -5.20 3.23 -0.36 -0.38 2.20 -1.26 -4.85 119.74 113.12 2h68 s LYS 256 Ca 0.67 -0.72 0.05 0.00 -0.36 0.00 0.00 55.97 55.61 2h68 s LYS 256 Cb -0.05 -2.75 0.17 0.00 -1.51 0.00 0.00 37.83 33.70 2h68 s LYS 256 CO 0.45 -0.10 0.50 1.21 -0.36 0.00 0.00 175.35 177.05 2h68 s ASN 257 N 1.13 -0.28 0.00 1.43 2.47 -1.26 -0.44 114.94 117.98 2h68 s ASN 257 Ca 0.01 -0.86 0.00 0.00 0.42 0.00 0.00 52.86 52.42 2h68 s ASN 257 Cb -0.14 1.34 0.00 0.00 -1.45 0.00 0.00 41.25 41.00 2h68 s ASN 257 CO -0.04 -0.25 0.15 -0.62 -3.72 0.00 0.00 177.10 172.62 2h68 n GLU 258 N 4.65 3.66 0.00 0.43 1.02 -1.26 -1.48 120.64 127.67 2h68 n GLU 258 Ca 0.08 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2h68 n GLU 258 Cb 0.51 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 2h68 n GLU 258 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2h68 n LYS 259 N -0.57 0.00 -3.95 3.49 4.81 -1.26 -4.90 118.16 115.78 2h68 n LYS 259 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2h68 n LYS 259 Cb 0.01 -0.32 -0.04 0.00 0.02 0.00 0.00 35.03 34.71 2h68 n LYS 259 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2h68 s TYR 260 N -1.96 3.45 -0.39 5.64 2.02 -1.26 -5.04 117.35 119.81 2h68 s TYR 260 Ca 0.00 0.14 -0.28 0.00 -0.37 0.00 0.00 57.07 56.56 2h68 s TYR 260 Cb 0.00 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 2h68 s TYR 260 CO 0.00 0.54 1.67 0.00 -1.57 0.00 0.00 175.55 176.19 2h68 s ILE 262 N 6.63 3.54 0.26 0.00 1.01 -1.26 -4.87 121.20 126.51 2h68 s ILE 262 Ca 0.72 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 2h68 s ILE 262 Cb -0.18 -2.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.66 2h68 s ILE 262 CO 0.32 0.49 1.01 -0.36 0.00 0.00 0.00 174.94 176.40 2h68 s PHE 263 N 0.50 3.80 0.26 3.97 0.08 -0.99 -4.75 117.98 120.84 2h68 s PHE 263 Ca -0.05 1.82 0.07 0.00 0.12 0.00 0.00 56.93 58.89 2h68 s PHE 263 Cb -0.15 -3.12 -0.05 0.00 -0.57 0.00 0.00 43.02 39.13 2h68 s PHE 263 CO 0.03 -0.00 -0.09 0.00 -0.10 0.00 0.00 175.22 175.06 2h68 s ALA 264 N -1.18 2.24 0.04 5.36 0.00 -1.26 -3.49 121.76 123.47 2h68 s ALA 264 Ca 0.43 -1.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.45 2h68 s ALA 264 Cb -0.29 0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.95 2h68 s ALA 264 CO 0.36 -0.02 0.25 -0.80 0.00 0.00 0.00 175.76 175.54 2h68 s ASN 265 N -3.40 -0.05 -0.23 0.00 0.01 0.66 -4.98 114.94 106.94 2h68 s ASN 265 Ca 0.27 -0.25 -0.17 0.00 -0.71 0.00 0.00 52.86 52.00 2h68 s ASN 265 Cb 0.02 0.32 -0.03 0.00 0.41 0.00 0.00 41.25 41.96 2h68 s ASN 265 CO 0.10 -0.57 0.44 -0.36 -1.51 0.00 0.00 177.10 175.21 2h68 s PHE 266 N -2.44 3.32 -0.20 2.20 0.08 -1.26 -1.41 117.98 118.27 2h68 s PHE 266 Ca -0.06 0.60 -0.14 0.00 0.12 0.00 0.00 56.93 57.45 2h68 s PHE 266 Cb -0.01 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 2h68 s PHE 266 CO -0.03 -0.14 0.29 0.45 -0.10 0.00 0.00 175.22 175.69 2h68 s SER 267 N 1.32 6.35 0.00 1.36 0.15 -0.53 -4.93 113.70 117.43 2h68 s SER 267 Ca 0.19 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2h68 s SER 267 Cb -0.15 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2h68 s SER 267 CO 0.09 0.04 0.07 1.33 1.20 0.00 0.00 173.24 175.97 2h68 n VAL 268 N 3.99 0.00 0.19 4.45 0.24 -1.26 -1.92 118.33 124.02 2h68 n VAL 268 Ca -0.12 -0.16 0.05 0.00 -2.04 0.00 0.00 64.34 62.07 2h68 n VAL 268 Cb 0.52 1.30 0.35 0.00 -1.47 0.00 0.00 33.84 34.54 2h68 n VAL 268 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2h68 h THR 269 N 0.30 0.99 0.00 3.34 1.35 -1.90 -3.45 112.91 113.54 2h68 h THR 269 Ca 0.00 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 2h68 h THR 269 Cb 0.15 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2h68 h THR 269 CO 0.00 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2h68 n GLY 270 N 0.07 2.95 3.68 5.82 0.00 -1.26 -4.90 105.19 111.55 2h68 n GLY 270 Ca -0.01 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2h68 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h68 s GLY 271 N 0.00 1.67 -0.54 -0.02 0.00 -1.26 -4.94 107.32 102.24 2h68 s GLY 271 Ca 0.00 0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.99 2h68 s GLY 271 CO 0.00 0.88 0.64 0.54 0.00 0.00 0.00 173.10 175.16 2h68 s LYS 272 N -4.70 3.08 0.29 2.90 -0.14 -1.26 -4.33 119.74 115.57 2h68 s LYS 272 Ca 0.66 -1.12 0.10 0.00 -1.36 0.00 0.00 55.97 54.24 2h68 s LYS 272 Cb -0.22 -4.17 -0.06 0.00 -1.68 0.00 0.00 37.83 31.71 2h68 s LYS 272 CO 0.58 -1.34 -0.14 -1.58 -0.76 0.00 0.00 175.35 172.11 2h68 s TRP 273 N 2.55 2.18 -0.13 3.18 0.51 -0.81 -2.01 118.94 124.41 2h68 s TRP 273 Ca 0.12 -0.48 -0.03 0.00 -2.12 0.00 0.00 56.10 53.60 2h68 s TRP 273 Cb -0.22 -1.09 -0.03 0.00 -0.81 0.00 0.00 33.47 31.32 2h68 s TRP 273 CO 0.09 0.55 -0.02 0.42 -0.51 0.00 0.00 176.95 177.48 2h68 s ILE 274 N -2.69 4.05 -0.06 2.03 -1.09 0.01 -1.45 121.20 122.00 2h68 s ILE 274 Ca 0.29 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 2h68 s ILE 274 Cb -0.01 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 2h68 s ILE 274 CO 0.14 0.53 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.52 2h68 s VAL 275 N -0.09 1.46 0.09 2.92 1.01 -0.50 -0.47 120.40 124.83 2h68 s VAL 275 Ca 0.03 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2h68 s VAL 275 Cb -0.13 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2h68 s VAL 275 CO 0.02 0.42 0.21 -0.55 0.00 0.00 0.00 175.10 175.20 2h68 s SER 276 N 0.21 0.09 0.83 3.32 0.15 -0.60 -0.25 113.70 117.45 2h68 s SER 276 Ca -0.08 -0.64 -0.03 0.00 0.70 0.00 0.00 55.95 55.90 2h68 s SER 276 Cb -0.13 0.35 0.05 0.00 -1.71 0.00 0.00 66.02 64.58 2h68 s SER 276 CO 0.03 -0.74 0.29 0.61 1.20 0.00 0.00 173.24 174.63 2h68 n GLY 277 N -0.08 -0.59 3.55 9.45 0.00 -1.23 -0.89 105.19 115.41 2h68 n GLY 277 Ca -0.15 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 2h68 n GLY 277 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2h68 s SER 278 N -2.09 -0.43 0.00 1.61 0.15 -0.83 -4.70 113.70 107.42 2h68 s SER 278 Ca 0.17 0.40 0.17 0.00 0.70 0.00 0.00 55.95 57.39 2h68 s SER 278 Cb -0.01 0.36 0.87 0.00 -1.71 0.00 0.00 66.02 65.54 2h68 s SER 278 CO 0.12 -0.44 1.58 -0.62 1.20 0.00 0.00 173.24 175.08 2h68 n GLU 279 N 0.62 1.20 -0.62 5.44 1.02 0.41 -1.56 120.64 127.15 2h68 n GLU 279 Ca -0.12 -0.31 0.08 0.00 -0.02 0.00 0.00 57.16 56.80 2h68 n GLU 279 Cb 0.58 -1.28 0.34 0.00 -0.02 0.00 0.00 31.44 31.06 2h68 n GLU 279 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2h68 n ASP 280 N -0.44 4.71 -0.09 1.62 5.75 -1.26 -4.73 116.55 122.11 2h68 n ASP 280 Ca 0.13 -2.66 -0.01 0.00 -0.01 0.00 0.00 54.79 52.23 2h68 n ASP 280 Cb 0.13 -0.57 -0.00 0.00 -1.03 0.00 0.00 41.12 39.64 2h68 n ASP 280 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2h68 n ASN 281 N 0.60 -3.31 -4.51 -1.12 3.02 -1.10 -5.01 115.26 103.82 2h68 n ASN 281 Ca 0.24 0.03 -0.28 0.00 -0.03 0.00 0.00 54.58 54.55 2h68 n ASN 281 Cb 0.94 -0.92 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 2h68 n ASN 281 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2h68 s LEU 282 N -0.26 2.76 -0.16 3.41 1.43 -1.26 -4.10 118.68 120.49 2h68 s LEU 282 Ca 0.00 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.28 2h68 s LEU 282 Cb 0.00 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2h68 s LEU 282 CO 0.00 0.13 0.46 -0.69 0.23 0.00 0.00 176.35 176.48 2h68 s VAL 283 N -1.54 5.18 -0.11 -1.59 1.01 -0.92 -3.01 120.40 119.42 2h68 s VAL 283 Ca 0.22 0.88 -0.05 0.00 0.00 0.00 0.00 61.98 63.03 2h68 s VAL 283 Cb -0.09 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2h68 s VAL 283 CO 0.12 0.28 0.07 -0.31 0.00 0.00 0.00 175.10 175.27 2h68 s TYR 284 N 0.99 3.39 -0.07 5.22 1.51 -0.07 -0.61 117.35 127.70 2h68 s TYR 284 Ca 0.24 0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.66 2h68 s TYR 284 Cb -0.15 -1.88 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 2h68 s TYR 284 CO 0.09 0.59 -0.07 0.96 -1.11 0.00 0.00 175.55 176.01 2h68 s ILE 285 N -0.90 0.86 0.14 2.71 -4.36 -0.29 -1.56 121.20 117.80 2h68 s ILE 285 Ca 0.14 -0.26 0.09 0.00 -0.26 0.00 0.00 60.65 60.35 2h68 s ILE 285 Cb -0.12 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.70 2h68 s ILE 285 CO 0.03 0.31 -0.16 0.26 0.24 0.00 0.00 174.94 175.62 2h68 s TRP 286 N 1.16 2.55 -0.06 1.37 0.51 0.38 -0.34 118.94 124.50 2h68 s TRP 286 Ca -0.06 -0.26 -0.30 0.00 -2.12 0.00 0.00 56.10 53.36 2h68 s TRP 286 Cb -0.14 -1.31 -0.04 0.00 -0.81 0.00 0.00 33.47 31.17 2h68 s TRP 286 CO -0.02 0.44 1.32 1.21 -0.51 0.00 0.00 176.95 179.39 2h68 s ASN 287 N -2.41 6.93 0.17 2.95 3.84 0.03 -0.81 114.94 125.65 2h68 s ASN 287 Ca 0.20 1.91 -0.14 0.00 0.21 0.00 0.00 52.86 55.04 2h68 s ASN 287 Cb -0.10 -2.55 0.05 0.00 -0.55 0.00 0.00 41.25 38.10 2h68 s ASN 287 CO 0.12 -0.70 1.82 0.25 -2.79 0.00 0.00 177.10 175.80 2h68 h LEU 288 N 8.78 0.59 -0.06 3.21 6.46 -1.70 0.11 115.31 132.70 2h68 h LEU 288 Ca -0.34 -0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.35 2h68 h LEU 288 Cb 1.15 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.94 2h68 h LEU 288 CO 0.92 0.44 -0.14 1.56 -0.62 0.00 0.00 178.44 180.60 2h68 h GLN 289 N 0.68 0.20 0.00 1.25 1.08 -1.91 -3.36 115.11 113.04 2h68 h GLN 289 Ca 0.18 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2h68 h GLN 289 Cb -0.05 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2h68 h GLN 289 CO -0.04 0.74 -0.94 1.79 -0.95 0.00 0.00 178.83 179.44 2h68 h THR 290 N -0.32 0.16 0.00 -0.54 1.35 -1.96 -3.48 112.91 108.12 2h68 h THR 290 Ca -0.00 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2h68 h THR 290 Cb 0.75 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 2h68 h THR 290 CO 0.03 0.09 0.00 0.29 -0.25 0.00 0.00 175.52 175.68 2h68 n LYS 291 N -2.81 -0.42 -2.80 4.72 5.02 0.02 -5.02 118.16 116.87 2h68 n LYS 291 Ca -0.01 0.11 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 2h68 n LYS 291 Cb 0.62 -3.42 -0.06 0.00 -0.02 0.00 0.00 35.03 32.15 2h68 n LYS 291 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2h68 s GLU 292 N -0.45 4.69 0.11 1.97 2.02 -1.26 -4.73 118.70 121.05 2h68 s GLU 292 Ca 0.00 1.36 -0.31 0.00 0.02 0.00 0.00 54.97 56.04 2h68 s GLU 292 Cb 0.00 -3.05 -0.08 0.00 0.10 0.00 0.00 34.13 31.10 2h68 s GLU 292 CO 0.00 0.41 1.44 0.42 0.02 0.00 0.00 175.26 177.55 2h68 s ILE 293 N -1.38 3.21 -0.04 -1.63 1.01 -1.26 -0.79 121.20 120.31 2h68 s ILE 293 Ca 0.45 0.84 0.12 0.00 0.00 0.00 0.00 60.65 62.05 2h68 s ILE 293 Cb -0.22 -3.54 -0.18 0.00 0.01 0.00 0.00 42.46 38.53 2h68 s ILE 293 CO 0.27 0.05 0.22 1.33 0.00 0.00 0.00 174.94 176.81 2h68 n VAL 294 N 4.07 0.21 -3.58 2.92 0.24 0.54 -4.90 118.33 117.83 2h68 n VAL 294 Ca 0.12 -0.34 -0.16 0.00 -2.04 0.00 0.00 64.34 61.92 2h68 n VAL 294 Cb 0.42 -0.02 -0.07 0.00 -1.47 0.00 0.00 33.84 32.70 2h68 n VAL 294 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2h68 s GLN 295 N -2.72 0.95 -0.10 7.34 0.74 -1.09 -4.69 119.66 120.08 2h68 s GLN 295 Ca -0.05 0.58 0.03 0.00 0.05 0.00 0.00 55.36 55.98 2h68 s GLN 295 Cb 0.07 0.45 0.01 0.00 1.10 0.00 0.00 33.01 34.64 2h68 s GLN 295 CO 0.51 -0.22 -0.21 0.15 -0.55 0.00 0.00 175.29 174.97 2h68 s LYS 296 N -0.48 2.74 -0.33 1.67 1.02 -1.26 -1.14 119.74 121.96 2h68 s LYS 296 Ca -0.06 -0.77 -0.12 0.00 0.02 0.00 0.00 55.97 55.04 2h68 s LYS 296 Cb -0.02 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 2h68 s LYS 296 CO 0.06 0.10 0.22 -0.51 -0.92 0.00 0.00 175.35 174.30 2h68 s LEU 297 N 0.53 4.41 -0.14 3.17 1.43 0.22 -4.93 118.68 123.37 2h68 s LEU 297 Ca -0.15 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 2h68 s LEU 297 Cb -0.17 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 2h68 s LEU 297 CO 0.05 -0.21 0.09 -1.58 0.23 0.00 0.00 176.35 174.94 2h68 s GLN 298 N 1.71 3.61 0.00 1.70 0.74 -1.26 -2.17 119.66 123.99 2h68 s GLN 298 Ca 0.06 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.22 2h68 s GLN 298 Cb -0.17 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.78 2h68 s GLN 298 CO 0.10 0.56 0.00 0.41 -0.55 0.00 0.00 175.29 175.81 2h68 n GLY 299 N 2.64 1.01 3.75 2.59 0.00 -1.26 -5.04 105.19 108.88 2h68 n GLY 299 Ca -0.18 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2h68 n GLY 299 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2h68 s HIS 300 N 0.00 2.34 -0.16 1.61 3.76 -1.26 -4.97 115.29 116.61 2h68 s HIS 300 Ca 0.00 1.58 0.16 0.00 -0.15 0.00 0.00 55.06 56.65 2h68 s HIS 300 Cb 0.00 -3.31 0.33 0.00 1.11 0.00 0.00 32.58 30.70 2h68 s HIS 300 CO 0.00 -2.13 1.21 0.25 -0.85 0.00 0.00 174.74 173.22 2h68 n THR 301 N -2.57 1.87 -3.88 1.30 -2.24 -1.26 -4.90 114.28 102.60 2h68 n THR 301 Ca 0.12 -1.99 -0.10 0.00 -2.27 0.00 0.00 64.05 59.81 2h68 n THR 301 Cb 0.51 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2h68 n THR 301 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h68 s ASP 302 N -2.36 0.12 0.14 3.42 -1.08 -1.26 -4.64 116.67 111.00 2h68 s ASP 302 Ca 0.31 -1.11 -0.34 0.00 -0.52 0.00 0.00 52.55 50.88 2h68 s ASP 302 Cb 0.26 0.79 -0.16 0.00 -1.46 0.00 0.00 42.92 42.35 2h68 s ASP 302 CO 0.05 -1.54 1.30 0.52 0.52 0.00 0.00 175.17 176.01 2h68 n VAL 303 N -0.52 0.42 -2.87 1.11 0.31 -1.26 -4.25 118.33 111.27 2h68 n VAL 303 Ca -0.06 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.74 2h68 n VAL 303 Cb 0.60 -0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 32.55 2h68 n VAL 303 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2h68 s VAL 304 N 0.22 4.38 -0.14 2.52 1.01 -0.60 -1.91 120.40 125.88 2h68 s VAL 304 Ca 0.78 -0.14 0.16 0.00 0.00 0.00 0.00 61.98 62.79 2h68 s VAL 304 Cb -0.87 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 30.87 2h68 s VAL 304 CO 0.48 -1.29 1.14 -0.29 0.00 0.00 0.00 175.10 175.14 2h68 h ILE 305 N 5.98 0.68 -2.96 2.22 6.09 -1.30 -2.22 117.51 126.01 2h68 h ILE 305 Ca -0.28 -2.09 -0.13 0.00 -1.37 0.00 0.00 64.86 60.99 2h68 h ILE 305 Cb 1.07 2.22 -0.23 0.00 0.47 0.00 0.00 36.82 40.35 2h68 h ILE 305 CO 1.13 0.39 -0.30 -0.55 -3.07 0.00 0.00 178.15 175.75 2h68 s SER 306 N -6.11 -0.29 0.06 2.19 0.15 -1.18 -2.34 113.70 106.18 2h68 s SER 306 Ca 0.01 0.44 0.02 0.00 0.70 0.00 0.00 55.95 57.12 2h68 s SER 306 Cb 0.08 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 2h68 s SER 306 CO 0.78 -0.25 -0.07 0.42 1.20 0.00 0.00 173.24 175.32 2h68 s THR 307 N -0.43 0.56 0.01 6.45 -4.23 -1.26 -1.23 115.64 115.51 2h68 s THR 307 Ca -0.06 -1.45 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 2h68 s THR 307 Cb -0.04 -1.06 -0.00 0.00 1.34 0.00 0.00 72.50 72.74 2h68 s THR 307 CO 0.02 -0.62 0.11 0.00 -0.54 0.00 0.00 174.62 173.59 2h68 s ALA 308 N -2.41 -0.21 -0.11 3.99 0.00 0.15 -4.71 121.76 118.46 2h68 s ALA 308 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2h68 s ALA 308 Cb -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2h68 s ALA 308 CO -0.02 -0.23 -0.15 0.00 0.00 0.00 0.00 175.76 175.36 2h68 s HIS 310 N 0.19 2.76 0.28 0.00 2.46 -0.35 -4.82 115.29 115.81 2h68 s HIS 310 Ca -0.09 1.34 0.32 0.00 0.47 0.00 0.00 55.06 57.09 2h68 s HIS 310 Cb -0.15 -3.79 1.45 0.00 -0.13 0.00 0.00 32.58 29.96 2h68 s HIS 310 CO 0.05 -2.37 2.03 -1.00 -2.47 0.00 0.00 174.74 170.99 2h68 h PRO 311 N 2.84 0.00 0.00 2.88 0.13 -1.89 -3.37 132.00 132.58 2h68 h PRO 311 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2h68 h PRO 311 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2h68 h PRO 311 CO 0.63 0.08 -0.59 0.25 -0.23 0.00 0.00 178.00 178.15 2h68 n THR 312 N -3.30 0.00 -4.10 1.56 -2.24 -1.26 -4.90 114.28 100.03 2h68 n THR 312 Ca -0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.52 2h68 n THR 312 Cb 0.28 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.04 2h68 n THR 312 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2h68 s GLU 313 N -1.51 2.88 -1.29 -0.78 0.41 -1.26 -4.93 118.70 112.23 2h68 s GLU 313 Ca 0.00 -0.94 -0.18 0.00 -0.41 0.00 0.00 54.97 53.45 2h68 s GLU 313 Cb 0.00 -2.61 0.02 0.00 -1.78 0.00 0.00 34.13 29.77 2h68 s GLU 313 CO 0.00 0.46 1.90 0.09 -0.49 0.00 0.00 175.26 177.22 2h68 n ASN 314 N -0.58 4.24 -3.94 -0.19 3.02 -1.26 -4.31 115.26 112.24 2h68 n ASN 314 Ca -0.08 -2.85 -0.20 0.00 -0.03 0.00 0.00 54.58 51.42 2h68 n ASN 314 Cb 0.56 -1.68 -0.16 0.00 -0.61 0.00 0.00 39.78 37.89 2h68 n ASN 314 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h68 s ILE 315 N 4.95 0.63 -0.07 2.41 1.01 -1.26 -1.59 121.20 127.29 2h68 s ILE 315 Ca 0.54 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 61.00 2h68 s ILE 315 Cb 0.07 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 2h68 s ILE 315 CO 0.05 0.23 -0.16 -0.63 0.00 0.00 0.00 174.94 174.42 2h68 s ILE 316 N 0.56 2.85 -0.14 2.92 1.01 -0.30 -1.22 121.20 126.89 2h68 s ILE 316 Ca -0.08 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 2h68 s ILE 316 Cb -0.12 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2h68 s ILE 316 CO 0.01 0.57 0.06 0.00 0.00 0.00 0.00 174.94 175.58 2h68 s ALA 317 N -0.35 3.47 0.13 9.38 0.00 -0.29 -0.88 121.76 133.22 2h68 s ALA 317 Ca 0.03 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2h68 s ALA 317 Cb -0.12 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 2h68 s ALA 317 CO 0.02 0.41 -0.17 -1.54 0.00 0.00 0.00 175.76 174.48 2h68 s SER 318 N -0.34 2.31 0.03 0.00 1.04 -0.09 -0.68 113.70 115.97 2h68 s SER 318 Ca 0.09 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 2h68 s SER 318 Cb -0.12 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 2h68 s SER 318 CO 0.02 -0.06 0.07 0.00 0.98 0.00 0.00 173.24 174.25 2h68 s ALA 319 N -1.84 -0.02 0.25 5.32 0.00 -0.37 -0.32 121.76 124.77 2h68 s ALA 319 Ca 0.10 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2h68 s ALA 319 Cb -0.07 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 2h68 s ALA 319 CO 0.04 -0.29 0.04 0.00 0.00 0.00 0.00 175.76 175.55 2h68 s ALA 320 N -2.43 1.82 1.01 0.00 0.00 -1.01 -0.87 121.76 120.28 2h68 s ALA 320 Ca -0.06 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.06 2h68 s ALA 320 Cb -0.02 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.81 2h68 s ALA 320 CO -0.04 -0.33 0.10 1.28 0.00 0.00 0.00 175.76 176.77 2h68 n LEU 321 N -0.45 0.00 0.14 0.00 4.77 -0.80 -2.23 117.00 118.43 2h68 n LEU 321 Ca -0.03 -0.11 0.12 0.00 -0.03 0.00 0.00 56.01 55.96 2h68 n LEU 321 Cb 0.65 -0.08 0.51 0.00 -2.33 0.00 0.00 43.42 42.17 2h68 n LEU 321 CO 0.37 -0.75 0.87 1.05 -1.33 0.00 0.00 177.39 177.60 2h68 h GLU 322 N 0.00 0.00 0.00 3.23 9.09 -1.92 0.14 114.58 125.12 2h68 h GLU 322 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.38 2h68 h GLU 322 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 2h68 h GLU 322 CO 0.02 0.00 0.00 -1.71 0.05 0.00 0.00 179.01 177.37 2h68 n ASN 323 N -2.32 0.50 0.03 3.06 5.15 -1.26 -4.43 115.26 115.98 2h68 n ASN 323 Ca 0.02 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 2h68 n ASN 323 Cb 0.24 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 2h68 n ASN 323 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2h68 n ASP 324 N -2.01 0.56 -0.02 1.20 -0.08 -0.16 -4.85 116.55 111.18 2h68 n ASP 324 Ca 0.04 0.08 -0.00 0.00 -1.51 0.00 0.00 54.79 53.39 2h68 n ASP 324 Cb 0.29 -0.17 -0.00 0.00 2.34 0.00 0.00 41.12 43.58 2h68 n ASP 324 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2h68 n LYS 325 N -3.01 -1.28 -3.92 -0.67 5.02 0.31 -4.99 118.16 109.62 2h68 n LYS 325 Ca 0.00 0.33 -0.22 0.00 -2.02 0.00 0.00 58.31 56.41 2h68 n LYS 325 Cb 0.00 -4.30 -0.04 0.00 -0.02 0.00 0.00 35.03 30.66 2h68 n LYS 325 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2h68 s THR 326 N -1.38 3.51 -0.07 -0.18 -4.23 -1.26 -4.36 115.64 107.68 2h68 s THR 326 Ca 0.00 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2h68 s THR 326 Cb 0.00 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 2h68 s THR 326 CO 0.00 -0.20 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.16 2h68 s ILE 327 N -2.31 3.48 0.00 2.99 1.01 -0.73 -2.39 121.20 123.25 2h68 s ILE 327 Ca 0.39 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.56 2h68 s ILE 327 Cb -0.05 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2h68 s ILE 327 CO 0.25 0.59 -0.25 -0.54 0.00 0.00 0.00 174.94 174.99 2h68 s LYS 328 N -0.68 2.01 -0.16 2.79 1.02 0.56 -0.01 119.74 125.28 2h68 s LYS 328 Ca 0.10 -0.99 -0.03 0.00 0.02 0.00 0.00 55.97 55.07 2h68 s LYS 328 Cb -0.11 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2h68 s LYS 328 CO 0.01 0.54 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.42 2h68 s LEU 329 N -0.88 3.09 -0.00 3.17 1.43 0.00 -0.91 118.68 124.58 2h68 s LEU 329 Ca 0.11 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2h68 s LEU 329 Cb -0.10 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2h68 s LEU 329 CO 0.00 0.14 -0.20 0.26 0.23 0.00 0.00 176.35 176.78 2h68 s TRP 330 N 0.54 1.78 -0.02 0.29 0.52 -0.06 -0.33 118.94 121.67 2h68 s TRP 330 Ca -0.04 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.78 2h68 s TRP 330 Cb -0.15 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.04 2h68 s TRP 330 CO 0.03 -0.01 -0.14 0.21 0.02 0.00 0.00 176.95 177.06 2h68 s LYS 331 N -0.60 1.22 0.14 4.98 2.36 -0.27 -1.14 119.74 126.43 2h68 s LYS 331 Ca 0.08 -0.51 0.08 0.00 -2.55 0.00 0.00 55.97 53.07 2h68 s LYS 331 Cb -0.08 -1.16 -0.04 0.00 -1.05 0.00 0.00 37.83 35.50 2h68 s LYS 331 CO -0.00 0.29 -0.20 0.45 1.55 0.00 0.00 175.35 177.44 2h68 s SER 332 N -0.25 2.65 0.48 1.43 0.15 -0.62 -1.10 113.70 116.44 2h68 s SER 332 Ca 0.04 -0.78 0.27 0.00 0.70 0.00 0.00 55.95 56.17 2h68 s SER 332 Cb -0.06 -0.15 0.72 0.00 -1.71 0.00 0.00 66.02 64.82 2h68 s SER 332 CO -0.00 0.01 1.75 0.44 1.20 0.00 0.00 173.24 176.64 2h68 h ASP 333 N 3.62 0.00 0.00 5.45 3.32 -1.88 -3.42 116.42 123.51 2h68 h ASP 333 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2h68 h ASP 333 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2h68 h ASP 333 CO 0.46 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.98