#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr6 n SER 21 N 0.00 0.00 -2.54 0.00 3.41 -1.26 -5.19 113.62 108.04 1hr6 n SER 21 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1hr6 n SER 21 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1hr6 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hr6 n GLN 22 N 0.00 1.34 -3.94 4.33 1.13 -1.26 -5.14 117.38 113.84 1hr6 n GLN 22 Ca 0.00 -1.04 -0.35 0.00 -1.94 0.00 0.00 57.00 53.67 1hr6 n GLN 22 Cb 0.00 0.38 -0.09 0.00 0.11 0.00 0.00 30.24 30.65 1hr6 n GLN 22 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hr6 s ILE 23 N -1.70 5.03 -0.07 5.09 1.01 -1.26 -5.05 121.20 124.25 1hr6 s ILE 23 Ca 0.02 0.05 -0.37 0.00 0.00 0.00 0.00 60.65 60.36 1hr6 s ILE 23 Cb 0.00 -3.25 -0.14 0.00 0.01 0.00 0.00 42.46 39.07 1hr6 s ILE 23 CO 0.02 0.49 1.67 -2.65 0.00 0.00 0.00 174.94 174.47 1hr6 n PRO 24 N 3.19 1.64 -2.20 2.79 -0.02 -1.26 -5.01 135.00 134.13 1hr6 n PRO 24 Ca -0.17 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 1hr6 n PRO 24 Cb 0.53 -2.34 0.05 0.00 -0.02 0.00 0.00 33.50 31.72 1hr6 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hr6 n GLY 25 N 3.77 1.78 3.46 -1.23 0.00 -1.26 -4.98 105.19 106.74 1hr6 n GLY 25 Ca 0.22 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 1hr6 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hr6 s THR 26 N -1.36 4.69 0.09 2.61 2.01 -1.26 -4.52 115.64 117.91 1hr6 s THR 26 Ca 0.39 -0.32 -0.27 0.00 0.31 0.00 0.00 61.69 61.81 1hr6 s THR 26 Cb -0.03 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 1hr6 s THR 26 CO 0.25 0.11 0.83 -0.13 -0.69 0.00 0.00 174.62 174.99 1hr6 s ARG 27 N 1.64 4.58 0.03 4.92 1.81 -0.04 -4.85 118.95 127.04 1hr6 s ARG 27 Ca 0.05 1.21 0.06 0.00 -1.72 0.00 0.00 55.73 55.34 1hr6 s ARG 27 Cb -0.17 -3.35 -0.02 0.00 -0.45 0.00 0.00 34.95 30.96 1hr6 s ARG 27 CO 0.07 0.31 -0.18 0.99 -0.68 0.00 0.00 175.30 175.81 1hr6 s THR 28 N -0.24 1.46 -0.04 0.02 2.01 -1.26 -0.96 115.64 116.63 1hr6 s THR 28 Ca 0.41 -1.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1hr6 s THR 28 Cb -0.22 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1hr6 s THR 28 CO 0.26 0.20 0.24 -0.44 -0.69 0.00 0.00 174.62 174.19 1hr6 s SER 29 N -0.97 -0.15 0.02 3.53 0.01 -0.17 -4.99 113.70 110.99 1hr6 s SER 29 Ca 0.06 0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.51 1hr6 s SER 29 Cb -0.08 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 1hr6 s SER 29 CO 0.01 -0.31 -0.15 -0.54 0.41 0.00 0.00 173.24 172.66 1hr6 s LYS 30 N -0.87 2.22 0.32 12.44 1.02 -1.26 0.90 119.74 134.51 1hr6 s LYS 30 Ca -0.10 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.01 1hr6 s LYS 30 Cb -0.05 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1hr6 s LYS 30 CO 0.02 0.56 0.51 -1.17 -0.92 0.00 0.00 175.35 174.36 1hr6 s LEU 31 N -1.35 4.07 0.28 3.17 2.96 0.10 -4.98 118.68 122.93 1hr6 s LEU 31 Ca 0.15 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1hr6 s LEU 31 Cb -0.11 -3.26 0.56 0.00 0.50 0.00 0.00 46.19 43.89 1hr6 s LEU 31 CO 0.05 -0.24 1.83 1.55 -1.32 0.00 0.00 176.35 178.21 1hr6 h PRO 32 N 0.94 0.92 0.00 0.98 0.13 -1.98 0.13 132.00 133.12 1hr6 h PRO 32 Ca -0.50 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1hr6 h PRO 32 Cb 1.22 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1hr6 h PRO 32 CO 0.62 0.61 0.00 0.27 -0.23 0.00 0.00 178.00 179.27 1hr6 n ASN 33 N -4.65 0.00 0.00 1.44 0.23 -1.26 -4.86 115.26 106.16 1hr6 n ASN 33 Ca 0.19 -0.95 0.00 0.00 -0.53 0.00 0.00 54.58 53.30 1hr6 n ASN 33 Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1hr6 n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hr6 n GLY 34 N 0.40 3.11 3.68 4.83 0.00 0.03 -2.79 105.19 114.45 1hr6 n GLY 34 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 1hr6 n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hr6 n LEU 35 N 0.00 3.29 -4.85 0.99 7.94 0.13 -3.93 117.00 120.57 1hr6 n LEU 35 Ca 0.00 1.07 -0.38 0.00 -1.11 0.00 0.00 56.01 55.60 1hr6 n LEU 35 Cb 0.00 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 42.44 1hr6 n LEU 35 CO 0.00 -0.19 0.01 -0.89 -1.11 0.00 0.00 177.39 175.21 1hr6 s THR 36 N 1.18 5.20 -0.25 1.96 2.01 -0.90 0.01 115.64 124.83 1hr6 s THR 36 Ca 0.79 0.60 0.01 0.00 0.31 0.00 0.00 61.69 63.40 1hr6 s THR 36 Cb -0.65 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.31 1hr6 s THR 36 CO 0.38 0.58 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.17 1hr6 s ILE 37 N -1.08 2.49 -0.08 1.82 -1.09 0.26 -0.67 121.20 122.86 1hr6 s ILE 37 Ca 0.21 -1.33 0.03 0.00 -2.23 0.00 0.00 60.65 57.34 1hr6 s ILE 37 Cb -0.15 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.36 1hr6 s ILE 37 CO 0.10 0.10 -0.17 0.00 -1.23 0.00 0.00 174.94 173.74 1hr6 s ALA 38 N 1.22 2.49 -0.01 9.38 0.00 -0.58 -1.00 121.76 133.26 1hr6 s ALA 38 Ca -0.04 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 1hr6 s ALA 38 Cb -0.18 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1hr6 s ALA 38 CO -0.05 0.41 0.15 0.99 0.00 0.00 0.00 175.76 177.26 1hr6 s THR 39 N -0.20 0.07 -0.11 0.00 2.01 -0.14 -1.44 115.64 115.83 1hr6 s THR 39 Ca -0.01 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 1hr6 s THR 39 Cb -0.13 -0.41 0.04 0.00 0.01 0.00 0.00 72.50 72.01 1hr6 s THR 39 CO 0.03 -0.31 0.05 -0.70 -0.69 0.00 0.00 174.62 173.00 1hr6 s GLU 40 N -1.14 0.24 0.23 4.92 2.12 -0.83 -0.86 118.70 123.38 1hr6 s GLU 40 Ca -0.12 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 54.95 1hr6 s GLU 40 Cb -0.06 -1.29 -0.09 0.00 0.26 0.00 0.00 34.13 32.95 1hr6 s GLU 40 CO 0.01 -0.48 1.01 -0.47 -0.54 0.00 0.00 175.26 174.79 1hr6 s TYR 41 N 2.06 3.80 -0.27 5.30 5.04 -1.26 -2.29 117.35 129.73 1hr6 s TYR 41 Ca 0.03 1.80 -0.00 0.00 -2.44 0.00 0.00 57.07 56.46 1hr6 s TYR 41 Cb -0.14 -3.12 0.04 0.00 0.35 0.00 0.00 41.96 39.09 1hr6 s TYR 41 CO -0.06 -0.01 -0.05 0.42 -1.34 0.00 0.00 175.55 174.51 1hr6 s ILE 42 N -0.97 2.73 0.72 3.14 -1.09 -0.30 -4.81 121.20 120.61 1hr6 s ILE 42 Ca 0.44 -1.33 -0.16 0.00 -2.23 0.00 0.00 60.65 57.37 1hr6 s ILE 42 Cb -0.28 -2.51 0.03 0.00 -1.58 0.00 0.00 42.46 38.12 1hr6 s ILE 42 CO 0.35 0.02 1.23 -2.84 -1.23 0.00 0.00 174.94 172.47 1hr6 s PRO 43 N 1.24 2.18 -1.21 2.79 0.02 -1.26 -3.76 135.00 135.00 1hr6 s PRO 43 Ca -0.04 1.85 -0.01 0.00 0.02 0.00 0.00 61.00 62.82 1hr6 s PRO 43 Cb -0.19 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.50 1hr6 s PRO 43 CO -0.03 -1.83 0.94 0.09 -0.33 0.00 0.00 177.00 175.84 1hr6 n ASN 44 N -2.57 -2.20 -3.94 2.53 5.03 -1.26 -5.03 115.26 107.83 1hr6 n ASN 44 Ca 0.14 -0.67 -0.09 0.00 0.87 0.00 0.00 54.58 54.83 1hr6 n ASN 44 Cb 0.50 -4.92 -0.09 0.00 -1.02 0.00 0.00 39.78 34.24 1hr6 n ASN 44 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1hr6 s THR 45 N -3.42 0.14 -0.03 3.41 -4.23 -1.25 -5.04 115.64 105.22 1hr6 s THR 45 Ca 0.03 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 1hr6 s THR 45 Cb -0.01 -0.99 0.08 0.00 1.34 0.00 0.00 72.50 72.92 1hr6 s THR 45 CO 0.75 -0.64 0.92 -1.20 -0.54 0.00 0.00 174.62 173.91 1hr6 n SER 46 N 0.63 1.09 -3.93 3.99 7.64 -1.26 -4.53 113.62 117.26 1hr6 n SER 46 Ca -0.18 -2.06 -0.16 0.00 1.01 0.00 0.00 58.87 57.49 1hr6 n SER 46 Cb 0.59 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 1hr6 n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hr6 s SER 47 N -1.27 0.89 0.25 6.43 1.04 -1.26 -0.74 113.70 119.04 1hr6 s SER 47 Ca 0.09 -1.53 -0.20 0.00 0.48 0.00 0.00 55.95 54.79 1hr6 s SER 47 Cb 0.07 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.69 1hr6 s SER 47 CO 0.01 -0.91 0.96 0.00 0.98 0.00 0.00 173.24 174.28 1hr6 n ALA 48 N -0.44 -2.42 -3.21 5.32 0.00 -0.63 -1.02 120.51 118.12 1hr6 n ALA 48 Ca 0.03 -1.11 -0.19 0.00 0.00 0.00 0.00 53.44 52.18 1hr6 n ALA 48 Cb 0.65 0.72 -0.15 0.00 0.00 0.00 0.00 19.45 20.66 1hr6 n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hr6 s THR 49 N -2.07 0.54 -0.04 0.00 2.01 -0.71 -2.11 115.64 113.25 1hr6 s THR 49 Ca 0.21 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1hr6 s THR 49 Cb -0.04 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.97 1hr6 s THR 49 CO 0.08 0.19 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.42 1hr6 s VAL 50 N 0.40 0.85 0.02 3.82 1.01 -0.23 -1.92 120.40 124.34 1hr6 s VAL 50 Ca -0.05 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1hr6 s VAL 50 Cb -0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1hr6 s VAL 50 CO 0.00 0.28 -0.04 -0.83 0.00 0.00 0.00 175.10 174.51 1hr6 s GLY 51 N 0.48 0.27 -0.28 4.51 0.00 0.61 -0.28 107.32 112.62 1hr6 s GLY 51 Ca -0.08 -0.51 -0.06 0.00 0.00 0.00 0.00 44.72 44.07 1hr6 s GLY 51 CO 0.01 -0.55 0.05 -1.50 0.00 0.00 0.00 173.10 171.11 1hr6 s ILE 52 N -1.09 3.75 -0.14 0.90 1.10 0.23 -0.42 121.20 125.53 1hr6 s ILE 52 Ca -0.10 -0.71 -0.05 0.00 -0.51 0.00 0.00 60.65 59.28 1hr6 s ILE 52 Cb -0.08 -2.91 -0.03 0.00 0.15 0.00 0.00 42.46 39.59 1hr6 s ILE 52 CO -0.00 0.14 0.02 -0.36 -2.11 0.00 0.00 174.94 172.62 1hr6 s PHE 53 N 1.47 3.17 -0.11 3.50 0.40 0.91 -2.01 117.98 125.32 1hr6 s PHE 53 Ca 0.03 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 1hr6 s PHE 53 Cb -0.17 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.42 1hr6 s PHE 53 CO 0.01 0.22 -0.14 0.08 0.70 0.00 0.00 175.22 176.08 1hr6 s VAL 54 N -0.05 1.43 -0.57 -0.44 1.01 0.70 -0.37 120.40 122.11 1hr6 s VAL 54 Ca 0.04 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 1hr6 s VAL 54 Cb -0.13 -1.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 1hr6 s VAL 54 CO 0.02 0.43 2.23 -0.62 0.00 0.00 0.00 175.10 177.16 1hr6 s ASP 55 N 1.06 4.65 0.00 3.32 -1.08 0.30 -1.55 116.67 123.37 1hr6 s ASP 55 Ca -0.05 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 52.67 1hr6 s ASP 55 Cb -0.15 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1hr6 s ASP 55 CO -0.02 -2.83 0.00 0.00 0.52 0.00 0.00 175.17 172.84 1hr6 n ALA 56 N 15.20 0.03 -0.76 3.66 0.00 -0.70 -4.95 120.51 132.99 1hr6 n ALA 56 Ca 0.33 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.81 1hr6 n ALA 56 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1hr6 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hr6 n GLY 57 N 0.00 -0.80 0.30 0.00 0.00 -1.25 -3.37 105.19 100.07 1hr6 n GLY 57 Ca 0.00 -0.70 0.17 0.00 0.00 0.00 0.00 46.02 45.49 1hr6 n GLY 57 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hr6 h SER 58 N -0.25 0.00 0.41 1.61 4.64 -1.43 -2.38 113.55 116.16 1hr6 h SER 58 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1hr6 h SER 58 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1hr6 h SER 58 CO 0.00 0.02 0.00 -2.11 -0.87 0.00 0.00 176.83 173.87 1hr6 n ARG 59 N -3.62 0.07 0.00 4.77 1.85 -0.05 -1.52 116.66 118.16 1hr6 n ARG 59 Ca -0.03 0.22 0.12 0.00 -1.00 0.00 0.00 57.85 57.16 1hr6 n ARG 59 Cb 0.11 -1.50 0.26 0.00 -1.05 0.00 0.00 32.46 30.28 1hr6 n ARG 59 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1hr6 n ALA 60 N -1.42 3.34 -1.97 2.89 0.00 -0.89 -4.81 120.51 117.64 1hr6 n ALA 60 Ca 0.05 -0.45 -0.24 0.00 0.00 0.00 0.00 53.44 52.80 1hr6 n ALA 60 Cb 0.15 -1.05 0.09 0.00 0.00 0.00 0.00 19.45 18.63 1hr6 n ALA 60 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hr6 s GLU 61 N -2.61 1.95 0.42 0.00 2.02 -0.58 -5.08 118.70 114.82 1hr6 s GLU 61 Ca 0.20 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.40 1hr6 s GLU 61 Cb 0.19 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 1hr6 s GLU 61 CO 0.58 -1.26 0.11 0.54 0.02 0.00 0.00 175.26 175.24 1hr6 s ASN 62 N -4.62 2.94 0.27 -0.19 2.20 -1.26 -4.86 114.94 109.42 1hr6 s ASN 62 Ca 0.63 -1.65 0.00 0.00 -0.94 0.00 0.00 52.86 50.91 1hr6 s ASN 62 Cb -0.08 0.45 0.62 0.00 -2.00 0.00 0.00 41.25 40.25 1hr6 s ASN 62 CO 0.43 -0.89 1.70 0.58 -2.94 0.00 0.00 177.10 175.98 1hr6 h VAL 63 N 1.76 0.51 0.00 3.54 2.07 -1.99 1.02 116.25 123.16 1hr6 h VAL 63 Ca -0.37 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 66.87 1hr6 h VAL 63 Cb 1.28 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1hr6 h VAL 63 CO 0.60 0.07 -1.00 0.11 0.02 0.00 0.00 177.57 177.37 1hr6 h LYS 64 N 0.37 0.00 -0.01 1.57 1.79 -2.04 -3.32 116.57 114.93 1hr6 h LYS 64 Ca 0.50 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.73 1hr6 h LYS 64 Cb 0.91 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.57 1hr6 h LYS 64 CO -0.51 0.46 -0.97 -0.97 -1.08 0.00 0.00 179.45 176.38 1hr6 h ASN 65 N 0.00 0.72 -0.22 0.86 -1.24 -1.57 -3.48 115.58 110.66 1hr6 h ASN 65 Ca -0.09 -0.57 -0.35 0.00 0.71 0.00 0.00 56.30 56.00 1hr6 h ASN 65 Cb 1.54 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.36 1hr6 h ASN 65 CO 0.06 1.37 0.43 -3.20 -1.29 0.00 0.00 177.43 174.80 1hr6 n ASN 66 N -3.81 0.42 0.00 1.15 4.05 0.34 -2.31 115.26 115.11 1hr6 n ASN 66 Ca -0.09 0.40 0.00 0.00 0.45 0.00 0.00 54.58 55.35 1hr6 n ASN 66 Cb 0.85 -0.38 0.00 0.00 1.23 0.00 0.00 39.78 41.48 1hr6 n ASN 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1hr6 n GLY 67 N 2.45 0.73 0.08 8.20 0.00 -1.26 -4.47 105.19 110.92 1hr6 n GLY 67 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1hr6 n GLY 67 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1hr6 h THR 68 N 0.00 1.04 -0.80 2.61 2.02 -1.75 -2.39 112.91 113.65 1hr6 h THR 68 Ca 0.00 -0.36 0.16 0.00 0.77 0.00 0.00 66.41 66.98 1hr6 h THR 68 Cb 0.00 1.28 -0.10 0.00 -1.74 0.00 0.00 68.15 67.59 1hr6 h THR 68 CO 0.00 0.09 0.34 0.00 0.37 0.00 0.00 175.52 176.32 1hr6 h ALA 69 N 0.68 1.17 -0.29 6.16 0.00 -1.89 0.37 119.26 125.46 1hr6 h ALA 69 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1hr6 h ALA 69 Cb 0.21 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1hr6 h ALA 69 CO 0.01 -0.20 0.06 1.25 0.00 0.00 0.00 179.25 180.37 1hr6 h HIS 70 N 0.48 0.50 -0.60 0.00 6.17 -1.76 -2.14 115.15 117.81 1hr6 h HIS 70 Ca 0.45 -0.07 0.10 0.00 0.71 0.00 0.00 60.37 61.56 1hr6 h HIS 70 Cb 0.70 -0.14 -0.08 0.00 2.52 0.00 0.00 27.41 30.42 1hr6 h HIS 70 CO -0.15 0.56 0.19 0.35 0.71 0.00 0.00 177.93 179.60 1hr6 h PHE 71 N 0.30 0.33 -0.62 5.26 3.04 -0.60 -0.79 116.94 123.87 1hr6 h PHE 71 Ca 0.09 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.12 1hr6 h PHE 71 Cb 0.32 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.72 1hr6 h PHE 71 CO 0.02 0.06 0.35 -0.07 -2.02 0.00 0.00 178.31 176.65 1hr6 h LEU 72 N 0.36 0.54 -0.49 0.59 3.38 -0.75 -2.24 115.31 116.69 1hr6 h LEU 72 Ca 0.31 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.39 1hr6 h LEU 72 Cb 0.40 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 1hr6 h LEU 72 CO -0.33 0.36 -0.21 -0.08 0.09 0.00 0.00 178.44 178.27 1hr6 h GLU 73 N 0.67 -0.10 -0.14 1.13 4.81 -0.48 -0.62 114.58 119.85 1hr6 h GLU 73 Ca 0.26 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1hr6 h GLU 73 Cb 0.11 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1hr6 h GLU 73 CO -0.15 -0.06 0.09 0.45 -0.73 0.00 0.00 179.01 178.60 1hr6 h HIS 74 N -0.10 0.19 0.00 0.92 3.86 -0.96 -2.99 115.15 116.07 1hr6 h HIS 74 Ca 0.23 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1hr6 h HIS 74 Cb 0.46 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1hr6 h HIS 74 CO -0.49 0.16 0.00 -0.07 0.86 0.00 0.00 177.93 178.39 1hr6 h LEU 75 N 0.16 0.00 -2.74 2.43 4.07 -0.81 -3.08 115.31 115.34 1hr6 h LEU 75 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1hr6 h LEU 75 Cb 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1hr6 h LEU 75 CO -0.01 0.00 0.05 0.00 -1.08 0.00 0.00 178.44 177.41 1hr6 h ALA 76 N 2.01 1.18 -0.29 1.53 0.00 -0.98 0.46 119.26 123.17 1hr6 h ALA 76 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hr6 h ALA 76 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hr6 h ALA 76 CO 0.00 -0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.38 1hr6 n PHE 77 N -3.22 0.37 0.50 0.00 3.01 -1.16 -4.43 117.46 112.52 1hr6 n PHE 77 Ca -0.03 -0.23 0.12 0.00 1.01 0.00 0.00 57.45 58.33 1hr6 n PHE 77 Cb 0.13 -0.00 0.19 0.00 -0.01 0.00 0.00 39.48 39.79 1hr6 n PHE 77 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1hr6 h LYS 78 N 3.67 0.00 0.00 -1.08 1.79 -1.06 -3.43 116.57 116.46 1hr6 h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1hr6 h LYS 78 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1hr6 h LYS 78 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1hr6 n GLY 79 N 1.29 4.76 3.61 3.86 0.00 -1.25 -3.16 105.19 114.30 1hr6 n GLY 79 Ca 0.03 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 1hr6 n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hr6 s THR 80 N -1.40 1.43 -1.89 2.61 -4.23 0.39 -0.93 115.64 111.62 1hr6 s THR 80 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 1hr6 s THR 80 Cb 0.00 -2.65 0.26 0.00 1.34 0.00 0.00 72.50 71.45 1hr6 s THR 80 CO 0.00 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.15 1hr6 n GLN 81 N -0.98 0.28 0.00 3.99 6.02 0.17 -2.52 117.38 124.33 1hr6 n GLN 81 Ca -0.08 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1hr6 n GLN 81 Cb 0.67 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.43 1hr6 n GLN 81 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1hr6 n ASN 82 N -1.05 3.62 -3.88 1.08 3.02 -1.26 -5.05 115.26 111.73 1hr6 n ASN 82 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.40 1hr6 n ASN 82 Cb 0.04 0.37 -0.17 0.00 -0.61 0.00 0.00 39.78 39.42 1hr6 n ASN 82 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1hr6 s ARG 83 N -1.72 0.97 1.00 3.52 0.52 -1.05 -5.11 118.95 117.09 1hr6 s ARG 83 Ca 0.00 -0.11 -0.15 0.00 -0.52 0.00 0.00 55.73 54.95 1hr6 s ARG 83 Cb 0.00 -1.03 0.19 0.00 0.52 0.00 0.00 34.95 34.64 1hr6 s ARG 83 CO 0.00 -0.14 1.16 -1.25 0.02 0.00 0.00 175.30 175.09 1hr6 s PRO 84 N 1.21 0.39 0.05 3.54 0.04 -1.26 0.15 135.00 139.11 1hr6 s PRO 84 Ca -0.06 0.09 -0.21 0.00 0.04 0.00 0.00 61.00 60.86 1hr6 s PRO 84 Cb -0.14 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 1hr6 s PRO 84 CO -0.02 -2.67 1.33 0.37 0.04 0.00 0.00 177.00 176.05 1hr6 h GLN 85 N -1.83 -0.53 0.00 4.56 4.15 -1.81 -1.93 115.11 117.71 1hr6 h GLN 85 Ca -0.48 0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1hr6 h GLN 85 Cb 1.31 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.12 1hr6 h GLN 85 CO 0.50 -0.36 0.10 0.37 -1.93 0.00 0.00 178.83 177.52 1hr6 h GLN 86 N -0.55 0.00 0.13 1.69 4.15 -1.89 -0.46 115.11 118.17 1hr6 h GLN 86 Ca -0.03 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.12 1hr6 h GLN 86 Cb 0.50 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.20 1hr6 h GLN 86 CO -0.07 0.00 -1.23 0.78 -1.93 0.00 0.00 178.83 176.38 1hr6 h GLY 87 N 0.00 0.38 0.59 2.39 0.00 -1.71 -2.08 103.07 102.64 1hr6 h GLY 87 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1hr6 h GLY 87 CO 0.00 0.79 -0.06 -2.22 0.00 0.00 0.00 176.54 175.05 1hr6 h ILE 88 N 0.11 1.06 0.09 2.60 2.04 -0.76 -1.71 117.51 120.94 1hr6 h ILE 88 Ca -0.14 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1hr6 h ILE 88 Cb 1.94 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 1hr6 h ILE 88 CO 0.21 0.20 -0.21 -0.33 0.00 0.00 0.00 178.15 178.02 1hr6 h GLU 89 N -0.58 -0.32 -0.79 2.37 5.08 -1.54 -1.46 114.58 117.35 1hr6 h GLU 89 Ca -0.02 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.55 1hr6 h GLU 89 Cb 0.45 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1hr6 h GLU 89 CO 0.03 -0.21 0.53 1.25 -1.00 0.00 0.00 179.01 179.61 1hr6 h LEU 90 N -0.33 0.29 -0.22 1.33 7.12 -1.47 -1.21 115.31 120.82 1hr6 h LEU 90 Ca -0.01 0.02 -0.10 0.00 0.13 0.00 0.00 57.88 57.93 1hr6 h LEU 90 Cb 0.32 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1hr6 h LEU 90 CO -0.09 0.13 -0.24 -0.08 -0.13 0.00 0.00 178.44 178.02 1hr6 h GLU 91 N 0.30 0.55 -0.30 1.25 4.81 -0.79 -2.41 114.58 117.99 1hr6 h GLU 91 Ca 0.39 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1hr6 h GLU 91 Cb 1.09 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1hr6 h GLU 91 CO -0.11 0.89 0.08 0.82 -0.73 0.00 0.00 179.01 179.97 1hr6 h ILE 92 N 0.24 1.21 0.00 2.32 1.08 -0.37 -3.12 117.51 118.87 1hr6 h ILE 92 Ca 0.03 -0.69 -0.06 0.00 -0.39 0.00 0.00 64.86 63.75 1hr6 h ILE 92 Cb 0.80 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 1hr6 h ILE 92 CO 0.06 0.23 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.15 1hr6 h GLU 93 N 0.32 0.00 0.00 2.37 5.08 -1.28 -0.80 114.58 120.27 1hr6 h GLU 93 Ca 0.09 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1hr6 h GLU 93 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1hr6 h GLU 93 CO -0.00 0.26 -0.43 -0.91 -1.00 0.00 0.00 179.01 176.93 1hr6 h ASN 94 N 0.00 0.00 -0.32 1.42 2.35 -1.37 -3.06 115.58 114.60 1hr6 h ASN 94 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1hr6 h ASN 94 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1hr6 h ASN 94 CO 0.03 0.43 0.00 2.30 -1.65 0.00 0.00 177.43 178.55 1hr6 n ILE 95 N -3.51 0.47 -2.80 2.81 -5.35 -1.09 -4.98 119.36 104.92 1hr6 n ILE 95 Ca -0.00 -0.73 -0.12 0.00 -0.27 0.00 0.00 62.75 61.63 1hr6 n ILE 95 Cb 0.56 1.00 0.03 0.00 -1.74 0.00 0.00 39.64 39.49 1hr6 n ILE 95 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hr6 n GLY 96 N 1.28 0.09 4.01 3.28 0.00 -0.88 -4.65 105.19 108.32 1hr6 n GLY 96 Ca 0.17 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1hr6 n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hr6 s SER 97 N -2.95 5.04 0.01 1.61 0.01 -0.36 -4.66 113.70 112.39 1hr6 s SER 97 Ca 0.21 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1hr6 s SER 97 Cb -0.09 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.42 1hr6 s SER 97 CO 0.26 -1.29 -0.02 -1.00 0.41 0.00 0.00 173.24 171.60 1hr6 s HIS 98 N -2.68 0.21 -0.10 2.43 3.76 0.75 -4.55 115.29 115.11 1hr6 s HIS 98 Ca 0.57 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.26 1hr6 s HIS 98 Cb -0.05 -0.14 0.01 0.00 1.11 0.00 0.00 32.58 33.51 1hr6 s HIS 98 CO 0.36 -0.07 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.85 1hr6 s LEU 99 N -0.66 1.76 0.10 0.89 2.96 -1.26 -1.40 118.68 121.07 1hr6 s LEU 99 Ca -0.06 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 1hr6 s LEU 99 Cb -0.05 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 1hr6 s LEU 99 CO -0.00 0.04 0.20 0.20 -1.32 0.00 0.00 176.35 175.46 1hr6 s ASN 100 N 0.84 0.11 0.13 3.68 0.01 -0.40 -5.02 114.94 114.28 1hr6 s ASN 100 Ca -0.10 -0.67 -0.17 0.00 -0.71 0.00 0.00 52.86 51.21 1hr6 s ASN 100 Cb -0.15 0.35 0.04 0.00 0.41 0.00 0.00 41.25 41.89 1hr6 s ASN 100 CO 0.01 -0.74 0.43 0.00 -1.51 0.00 0.00 177.10 175.28 1hr6 s ALA 101 N -3.87 -1.03 0.06 0.60 0.00 -1.26 -0.41 121.76 115.84 1hr6 s ALA 101 Ca 0.06 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.79 1hr6 s ALA 101 Cb 0.05 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.95 1hr6 s ALA 101 CO -0.10 -0.66 0.66 1.52 0.00 0.00 0.00 175.76 177.19 1hr6 s TYR 102 N -3.76 -0.57 -0.14 0.00 -0.85 -0.53 -5.01 117.35 106.49 1hr6 s TYR 102 Ca 0.02 0.65 0.01 0.00 -0.52 0.00 0.00 57.07 57.24 1hr6 s TYR 102 Cb 0.01 0.50 0.02 0.00 0.38 0.00 0.00 41.96 42.87 1hr6 s TYR 102 CO -0.12 -0.72 -0.16 0.99 -1.52 0.00 0.00 175.55 174.02 1hr6 s THR 103 N -2.60 1.68 0.49 -3.49 2.01 -1.26 -1.90 115.64 110.57 1hr6 s THR 103 Ca -0.04 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.31 1hr6 s THR 103 Cb -0.01 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1hr6 s THR 103 CO -0.03 0.48 0.43 -0.94 -0.69 0.00 0.00 174.62 173.86 1hr6 s SER 104 N 1.18 4.83 0.50 3.53 1.04 -0.43 -4.99 113.70 119.36 1hr6 s SER 104 Ca -0.01 -1.01 0.21 0.00 0.48 0.00 0.00 55.95 55.62 1hr6 s SER 104 Cb -0.14 -0.01 1.30 0.00 0.10 0.00 0.00 66.02 67.27 1hr6 s SER 104 CO -0.06 -0.94 2.07 0.03 0.98 0.00 0.00 173.24 175.32 1hr6 h ARG 105 N 0.82 0.00 0.00 4.02 3.08 -1.94 -3.06 114.38 117.30 1hr6 h ARG 105 Ca -0.38 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.32 1hr6 h ARG 105 Cb 1.28 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 1hr6 h ARG 105 CO 0.56 0.12 -2.21 0.39 -1.07 0.00 0.00 179.97 177.75 1hr6 n GLU 106 N -4.05 0.67 -4.24 0.04 1.02 -1.26 -0.87 120.64 111.95 1hr6 n GLU 106 Ca -0.02 0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 57.07 1hr6 n GLU 106 Cb 0.20 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 1hr6 n GLU 106 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1hr6 s ASN 107 N -5.74 0.49 -0.07 1.62 -0.87 -1.23 -1.72 114.94 107.43 1hr6 s ASN 107 Ca -0.10 -1.40 0.04 0.00 -1.57 0.00 0.00 52.86 49.83 1hr6 s ASN 107 Cb 0.07 0.32 0.00 0.00 -0.02 0.00 0.00 41.25 41.62 1hr6 s ASN 107 CO 0.81 -0.81 -0.18 -0.89 -2.57 0.00 0.00 177.10 173.47 1hr6 s THR 108 N -4.02 1.52 -0.02 1.60 2.01 -0.60 -1.31 115.64 114.82 1hr6 s THR 108 Ca 0.39 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1hr6 s THR 108 Cb 0.07 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.28 1hr6 s THR 108 CO 0.13 0.44 0.02 -0.69 -0.69 0.00 0.00 174.62 173.83 1hr6 s VAL 109 N 0.32 -0.03 -0.02 3.82 1.01 -0.80 -0.21 120.40 124.49 1hr6 s VAL 109 Ca -0.11 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1hr6 s VAL 109 Cb -0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1hr6 s VAL 109 CO 0.04 0.08 -0.15 -0.31 0.00 0.00 0.00 175.10 174.77 1hr6 s TYR 110 N 0.92 1.39 0.16 5.22 1.51 -0.85 -1.45 117.35 124.26 1hr6 s TYR 110 Ca -0.08 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 55.54 1hr6 s TYR 110 Cb -0.11 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.84 1hr6 s TYR 110 CO -0.02 -0.06 0.39 1.52 -1.11 0.00 0.00 175.55 176.26 1hr6 s TYR 111 N -0.21 0.08 0.02 2.71 1.13 0.45 -0.60 117.35 120.94 1hr6 s TYR 111 Ca 0.03 -0.44 0.00 0.00 -1.41 0.00 0.00 57.07 55.25 1hr6 s TYR 111 Cb -0.07 0.17 -0.02 0.00 -1.10 0.00 0.00 41.96 40.93 1hr6 s TYR 111 CO 0.00 -0.78 -0.03 0.00 -2.51 0.00 0.00 175.55 172.23 1hr6 s ALA 112 N -3.90 0.19 -0.08 9.51 0.00 0.62 -1.28 121.76 126.81 1hr6 s ALA 112 Ca 0.11 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1hr6 s ALA 112 Cb 0.01 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 1hr6 s ALA 112 CO -0.04 -0.16 -0.23 0.15 0.00 0.00 0.00 175.76 175.48 1hr6 s LYS 113 N -1.62 2.73 0.14 0.00 1.02 -0.49 -1.07 119.74 120.44 1hr6 s LYS 113 Ca -0.14 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 54.77 1hr6 s LYS 113 Cb -0.09 -2.14 0.07 0.00 -0.52 0.00 0.00 37.83 35.15 1hr6 s LYS 113 CO -0.01 0.22 0.85 -1.54 -0.92 0.00 0.00 175.35 173.94 1hr6 s SER 114 N 0.22 -0.29 0.72 2.83 1.04 -0.90 -0.18 113.70 117.14 1hr6 s SER 114 Ca -0.14 -0.29 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 1hr6 s SER 114 Cb -0.16 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1hr6 s SER 114 CO 0.07 -0.93 1.20 -0.76 0.98 0.00 0.00 173.24 173.79 1hr6 s LEU 115 N -2.80 3.34 0.41 2.42 1.02 -1.26 -1.61 118.68 120.20 1hr6 s LEU 115 Ca 0.09 2.33 0.15 0.00 0.02 0.00 0.00 54.13 56.72 1hr6 s LEU 115 Cb -0.02 -4.59 1.03 0.00 0.02 0.00 0.00 46.19 42.63 1hr6 s LEU 115 CO -0.02 -2.18 1.89 0.06 0.02 0.00 0.00 176.35 176.12 1hr6 h GLN 116 N -0.22 0.44 -0.38 1.70 3.07 -1.22 -0.30 115.11 118.20 1hr6 h GLN 116 Ca -0.48 -0.03 0.04 0.00 0.09 0.00 0.00 58.65 58.28 1hr6 h GLN 116 Cb 1.29 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.73 1hr6 h GLN 116 CO 0.50 0.29 0.25 0.93 0.09 0.00 0.00 178.83 180.90 1hr6 h GLU 117 N 0.46 0.34 -0.50 0.06 3.07 -1.89 -2.70 114.58 113.41 1hr6 h GLU 117 Ca 0.42 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1hr6 h GLU 117 Cb 0.94 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1hr6 h GLU 117 CO -0.15 0.22 0.00 -0.25 -1.40 0.00 0.00 179.01 177.43 1hr6 n ASP 118 N -4.48 2.78 -0.15 1.42 8.00 -0.12 -4.51 116.55 119.48 1hr6 n ASP 118 Ca 0.04 -1.99 -0.03 0.00 0.71 0.00 0.00 54.79 53.52 1hr6 n ASP 118 Cb 0.19 -0.33 0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1hr6 n ASP 118 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1hr6 h ILE 119 N 3.09 0.53 0.26 0.53 1.08 -1.52 0.80 117.51 122.29 1hr6 h ILE 119 Ca 0.00 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1hr6 h ILE 119 Cb 0.70 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 1hr6 h ILE 119 CO 0.00 0.00 -0.20 1.55 -0.69 0.00 0.00 178.15 178.81 1hr6 h PRO 120 N 0.01 -0.46 -0.97 2.37 0.13 -1.85 0.85 132.00 132.09 1hr6 h PRO 120 Ca 0.23 0.03 0.23 0.00 -0.87 0.00 0.00 66.00 65.63 1hr6 h PRO 120 Cb 0.35 0.10 -0.08 0.00 0.13 0.00 0.00 31.00 31.51 1hr6 h PRO 120 CO -0.48 -0.30 0.64 -0.22 -0.23 0.00 0.00 178.00 177.40 1hr6 h LYS 121 N -0.47 0.38 0.51 0.86 1.63 -1.72 0.42 116.57 118.16 1hr6 h LYS 121 Ca -0.02 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1hr6 h LYS 121 Cb 0.42 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1hr6 h LYS 121 CO -0.01 0.25 -0.24 0.00 -3.45 0.00 0.00 179.45 176.00 1hr6 h ALA 122 N 1.60 -0.68 -0.93 5.00 0.00 0.88 -1.07 119.26 124.06 1hr6 h ALA 122 Ca 0.52 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.36 1hr6 h ALA 122 Cb 1.35 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 1hr6 h ALA 122 CO -0.22 -0.82 0.57 0.28 0.00 0.00 0.00 179.25 179.07 1hr6 h VAL 123 N -0.80 0.96 0.58 0.00 2.07 0.87 -0.33 116.25 119.60 1hr6 h VAL 123 Ca -0.07 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1hr6 h VAL 123 Cb 0.57 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1hr6 h VAL 123 CO 0.11 0.18 -0.43 -0.78 0.02 0.00 0.00 177.57 176.67 1hr6 h ASP 124 N 0.96 -1.12 -0.96 0.57 3.58 -0.83 -0.81 116.42 117.80 1hr6 h ASP 124 Ca 0.44 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.98 1hr6 h ASP 124 Cb 0.36 0.35 -0.05 0.00 1.72 0.00 0.00 39.33 41.71 1hr6 h ASP 124 CO -0.24 -0.63 0.62 0.40 -2.88 0.00 0.00 179.24 176.52 1hr6 h ILE 125 N -0.98 1.25 -0.00 2.25 2.04 -0.77 0.79 117.51 122.09 1hr6 h ILE 125 Ca -0.07 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1hr6 h ILE 125 Cb 0.82 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1hr6 h ILE 125 CO 0.02 0.25 0.00 -0.07 0.00 0.00 0.00 178.15 178.35 1hr6 h LEU 126 N 1.31 0.00 -0.35 1.44 3.38 -0.90 0.68 115.31 120.88 1hr6 h LEU 126 Ca 0.35 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1hr6 h LEU 126 Cb -0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1hr6 h LEU 126 CO -0.07 0.02 0.21 0.77 0.09 0.00 0.00 178.44 179.46 1hr6 h SER 127 N -0.01 0.43 -0.58 -0.43 4.64 -0.80 -1.19 113.55 115.61 1hr6 h SER 127 Ca 0.00 -0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1hr6 h SER 127 Cb 0.02 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 61.94 1hr6 h SER 127 CO -0.00 0.36 0.26 -0.78 -0.87 0.00 0.00 176.83 175.80 1hr6 h ASP 128 N 0.46 0.32 -0.41 4.97 3.58 -0.57 -1.17 116.42 123.61 1hr6 h ASP 128 Ca 0.13 0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.49 1hr6 h ASP 128 Cb 0.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1hr6 h ASP 128 CO -0.02 0.21 -0.27 0.40 -2.88 0.00 0.00 179.24 176.67 1hr6 h ILE 129 N 0.47 1.27 -0.19 2.25 2.04 -0.57 -0.76 117.51 122.03 1hr6 h ILE 129 Ca 0.27 -1.43 -0.20 0.00 1.00 0.00 0.00 64.86 64.51 1hr6 h ILE 129 Cb 0.26 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1hr6 h ILE 129 CO -0.23 0.49 -0.64 0.25 0.00 0.00 0.00 178.15 178.01 1hr6 h LEU 130 N 0.79 0.89 0.00 1.44 5.85 -0.84 -3.37 115.31 120.07 1hr6 h LEU 130 Ca 0.09 -0.60 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1hr6 h LEU 130 Cb 0.84 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1hr6 h LEU 130 CO 0.07 1.34 -1.56 0.35 -0.34 0.00 0.00 178.44 178.31 1hr6 n THR 131 N -4.03 0.10 -1.85 1.05 -2.24 -0.47 -4.70 114.28 102.14 1hr6 n THR 131 Ca -0.07 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 1hr6 n THR 131 Cb 0.68 0.10 0.07 0.00 -2.10 0.00 0.00 70.33 69.08 1hr6 n THR 131 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hr6 n LYS 132 N -1.97 3.08 -2.61 -0.78 5.02 -0.29 -5.03 118.16 115.57 1hr6 n LYS 132 Ca -0.04 -3.89 -0.41 0.00 -2.02 0.00 0.00 58.31 51.95 1hr6 n LYS 132 Cb 0.38 -2.14 -0.04 0.00 -0.02 0.00 0.00 35.03 33.21 1hr6 n LYS 132 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1hr6 s SER 133 N -3.32 7.35 0.14 4.39 1.04 -1.23 -0.66 113.70 121.41 1hr6 s SER 133 Ca 0.50 1.90 -0.18 0.00 0.48 0.00 0.00 55.95 58.65 1hr6 s SER 133 Cb 0.41 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.96 1hr6 s SER 133 CO 0.01 -0.20 1.71 0.58 0.98 0.00 0.00 173.24 176.33 1hr6 h VAL 134 N 4.09 0.78 -5.37 5.02 2.07 -1.30 -3.45 116.25 118.09 1hr6 h VAL 134 Ca -0.43 -0.02 -0.32 0.00 0.82 0.00 0.00 66.70 66.74 1hr6 h VAL 134 Cb 1.21 0.71 0.15 0.00 -1.52 0.00 0.00 31.29 31.84 1hr6 h VAL 134 CO 0.74 0.01 -0.68 0.18 0.02 0.00 0.00 177.57 177.84 1hr6 n LEU 135 N -5.17 -3.66 -4.75 2.57 4.77 -1.26 -4.91 117.00 104.59 1hr6 n LEU 135 Ca -0.01 -0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 1hr6 n LEU 135 Cb 0.15 -2.88 -0.02 0.00 -2.33 0.00 0.00 43.42 38.35 1hr6 n LEU 135 CO 0.23 0.44 1.26 -0.67 -1.33 0.00 0.00 177.39 177.32 1hr6 n ASP 136 N -2.84 3.93 -0.09 -1.43 2.03 -1.26 -4.85 116.55 112.04 1hr6 n ASP 136 Ca -0.17 1.14 0.07 0.00 0.52 0.00 0.00 54.79 56.35 1hr6 n ASP 136 Cb 0.62 -1.60 0.42 0.00 -0.72 0.00 0.00 41.12 39.83 1hr6 n ASP 136 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1hr6 h ASN 137 N 4.90 0.52 -0.00 1.67 -0.26 -1.99 -0.40 115.58 120.02 1hr6 h ASN 137 Ca -0.47 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.27 1hr6 h ASN 137 Cb 1.22 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 38.37 1hr6 h ASN 137 CO 0.80 0.35 0.00 -1.28 -1.06 0.00 0.00 177.43 176.24 1hr6 h SER 138 N 0.60 0.01 -0.26 5.81 0.87 -2.00 -2.57 113.55 116.00 1hr6 h SER 138 Ca 0.25 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1hr6 h SER 138 Cb 0.22 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1hr6 h SER 138 CO -0.07 0.18 0.03 0.00 -0.53 0.00 0.00 176.83 176.45 1hr6 h ALA 139 N 0.82 0.25 -0.38 6.23 0.00 -1.74 -1.04 119.26 123.40 1hr6 h ALA 139 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1hr6 h ALA 139 Cb 0.18 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1hr6 h ALA 139 CO -0.00 -0.39 0.35 0.82 0.00 0.00 0.00 179.25 180.03 1hr6 h ILE 140 N 0.12 0.52 0.10 0.00 2.04 -0.97 -1.20 117.51 118.13 1hr6 h ILE 140 Ca 0.12 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.69 1hr6 h ILE 140 Cb 0.14 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1hr6 h ILE 140 CO -0.18 0.00 -1.53 -0.33 0.00 0.00 0.00 178.15 176.12 1hr6 h GLU 141 N 0.00 0.22 -0.02 2.37 4.39 -0.82 -3.29 114.58 117.43 1hr6 h GLU 141 Ca 0.18 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1hr6 h GLU 141 Cb 0.88 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1hr6 h GLU 141 CO -0.00 1.18 -0.08 0.00 -1.16 0.00 0.00 179.01 178.95 1hr6 h ARG 142 N -0.31 0.02 -0.02 2.33 3.08 -0.82 -2.49 114.38 116.17 1hr6 h ARG 142 Ca -0.34 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.57 1hr6 h ARG 142 Cb 1.76 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.79 1hr6 h ARG 142 CO 0.03 0.11 -0.63 1.49 -1.07 0.00 0.00 179.97 179.90 1hr6 h GLU 143 N 0.02 0.06 -1.01 0.04 4.57 -1.36 -3.23 114.58 113.68 1hr6 h GLU 143 Ca 0.00 -0.05 0.23 0.00 -1.18 0.00 0.00 59.36 58.36 1hr6 h GLU 143 Cb 0.16 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 28.64 1hr6 h GLU 143 CO 0.01 0.67 0.61 0.00 -1.18 0.00 0.00 179.01 179.12 1hr6 h ARG 144 N 0.05 0.62 -0.25 1.92 3.08 -1.51 0.94 114.38 119.23 1hr6 h ARG 144 Ca -0.01 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1hr6 h ARG 144 Cb 1.12 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 1hr6 h ARG 144 CO 0.09 0.41 -0.53 0.22 -1.07 0.00 0.00 179.97 179.08 1hr6 h ASP 145 N 0.63 0.79 -0.79 7.04 1.82 -1.70 -2.51 116.42 121.70 1hr6 h ASP 145 Ca 0.62 -0.42 -0.02 0.00 -0.39 0.00 0.00 57.03 56.82 1hr6 h ASP 145 Cb 1.13 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.87 1hr6 h ASP 145 CO -0.43 1.17 0.42 0.58 -1.61 0.00 0.00 179.24 179.37 1hr6 h VAL 146 N 0.55 1.24 -0.61 2.25 2.07 -0.97 -1.21 116.25 119.58 1hr6 h VAL 146 Ca 0.02 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1hr6 h VAL 146 Cb 1.10 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1hr6 h VAL 146 CO 0.11 0.27 0.01 0.40 0.02 0.00 0.00 177.57 178.37 1hr6 h ILE 147 N 1.10 1.27 -0.42 4.57 1.08 -1.27 -1.38 117.51 122.46 1hr6 h ILE 147 Ca 0.28 -1.15 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1hr6 h ILE 147 Cb 0.05 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1hr6 h ILE 147 CO -0.04 0.42 0.23 0.40 -0.69 0.00 0.00 178.15 178.46 1hr6 h ILE 148 N 0.97 1.16 -0.31 -0.67 1.08 -1.02 0.87 117.51 119.59 1hr6 h ILE 148 Ca 0.17 -0.40 0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1hr6 h ILE 148 Cb 0.56 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 1hr6 h ILE 148 CO 0.03 0.16 0.12 -0.09 -0.69 0.00 0.00 178.15 177.68 1hr6 h ARG 149 N 0.54 0.26 -0.91 2.37 9.65 -1.05 -0.56 114.38 124.68 1hr6 h ARG 149 Ca 0.15 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.07 1hr6 h ARG 149 Cb 0.06 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.52 1hr6 h ARG 149 CO -0.02 0.17 0.58 1.49 2.80 0.00 0.00 179.97 184.98 1hr6 h GLU 150 N 0.26 1.02 -0.78 0.20 4.81 -0.72 -1.94 114.58 117.44 1hr6 h GLU 150 Ca 0.13 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1hr6 h GLU 150 Cb 0.09 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1hr6 h GLU 150 CO -0.12 0.68 0.28 1.03 -0.73 0.00 0.00 179.01 180.15 1hr6 h SER 151 N 1.06 1.10 0.54 1.04 0.87 0.29 -2.23 113.55 116.23 1hr6 h SER 151 Ca 0.39 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1hr6 h SER 151 Cb 0.15 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1hr6 h SER 151 CO -0.17 0.99 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.59 1hr6 h GLU 152 N 1.15 0.00 0.00 2.24 5.08 -0.40 -2.65 114.58 120.00 1hr6 h GLU 152 Ca 0.26 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 1hr6 h GLU 152 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1hr6 h GLU 152 CO -0.02 0.21 -0.92 0.93 -1.00 0.00 0.00 179.01 178.22 1hr6 h GLU 153 N 0.00 0.33 -0.07 2.33 4.39 -0.85 -3.08 114.58 117.63 1hr6 h GLU 153 Ca -0.00 -0.36 -0.12 0.00 0.34 0.00 0.00 59.36 59.22 1hr6 h GLU 153 Cb 0.54 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1hr6 h GLU 153 CO 0.03 1.05 -0.52 0.28 -1.16 0.00 0.00 179.01 178.69 1hr6 h VAL 154 N 0.18 1.36 0.00 3.13 2.07 -1.24 -2.53 116.25 119.22 1hr6 h VAL 154 Ca -0.07 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1hr6 h VAL 154 Cb 1.55 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1hr6 h VAL 154 CO 0.15 0.52 0.00 0.47 0.02 0.00 0.00 177.57 178.74 1hr6 n ASP 155 N -3.94 0.57 -0.48 0.57 8.00 -1.02 -0.61 116.55 119.63 1hr6 n ASP 155 Ca -0.02 0.74 0.12 0.00 0.71 0.00 0.00 54.79 56.34 1hr6 n ASP 155 Cb 0.55 -0.82 0.19 0.00 -0.02 0.00 0.00 41.12 41.02 1hr6 n ASP 155 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hr6 n LYS 156 N -2.23 1.31 -3.53 -1.24 5.02 -0.95 -4.62 118.16 111.92 1hr6 n LYS 156 Ca -0.01 -0.97 -0.41 0.00 -2.02 0.00 0.00 58.31 54.90 1hr6 n LYS 156 Cb 0.07 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1hr6 n LYS 156 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1hr6 s MET 157 N -2.36 3.33 0.49 1.97 -1.94 0.22 -4.95 119.30 116.05 1hr6 s MET 157 Ca 0.24 -2.85 0.26 0.00 -1.71 0.00 0.00 55.69 51.63 1hr6 s MET 157 Cb 0.19 -4.13 1.33 0.00 2.01 0.00 0.00 34.83 34.23 1hr6 s MET 157 CO 0.49 -1.24 1.86 1.88 -0.01 0.00 0.00 175.02 178.00 1hr6 h TYR 158 N 6.87 0.24 -0.33 -0.03 0.05 -1.82 0.13 116.97 122.08 1hr6 h TYR 158 Ca 0.10 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 1hr6 h TYR 158 Cb 0.92 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 1hr6 h TYR 158 CO 0.81 0.05 0.07 0.38 -1.05 0.00 0.00 178.16 178.42 1hr6 h ASP 159 N 0.17 0.51 -0.63 3.88 2.03 -1.93 -1.06 116.42 119.39 1hr6 h ASP 159 Ca 0.47 -0.24 0.01 0.00 -0.73 0.00 0.00 57.03 56.53 1hr6 h ASP 159 Cb 1.56 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 39.89 1hr6 h ASP 159 CO -0.09 0.62 0.41 -0.33 -1.03 0.00 0.00 179.24 178.83 1hr6 h GLU 160 N 0.38 0.83 -0.34 4.15 4.39 -1.31 -1.15 114.58 121.53 1hr6 h GLU 160 Ca 0.10 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1hr6 h GLU 160 Cb 0.32 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1hr6 h GLU 160 CO 0.00 0.55 0.19 0.28 -1.16 0.00 0.00 179.01 178.88 1hr6 h VAL 161 N 0.85 1.14 -0.28 3.13 2.07 -1.23 -0.11 116.25 121.83 1hr6 h VAL 161 Ca 0.23 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1hr6 h VAL 161 Cb -0.09 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1hr6 h VAL 161 CO -0.05 0.14 0.16 0.58 0.02 0.00 0.00 177.57 178.42 1hr6 h VAL 162 N 0.43 1.11 0.00 2.57 2.07 -0.93 -1.91 116.25 119.60 1hr6 h VAL 162 Ca 0.12 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1hr6 h VAL 162 Cb 0.05 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1hr6 h VAL 162 CO -0.02 0.11 -0.29 -0.26 0.02 0.00 0.00 177.57 177.13 1hr6 h PHE 163 N 0.34 0.00 -0.18 1.57 0.04 -0.94 0.28 116.94 118.05 1hr6 h PHE 163 Ca 0.10 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.70 1hr6 h PHE 163 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1hr6 h PHE 163 CO -0.04 0.29 -0.53 -0.44 -0.60 0.00 0.00 178.31 176.99 1hr6 h ASP 164 N 0.00 0.78 -0.41 2.17 3.32 -0.78 -2.12 116.42 119.38 1hr6 h ASP 164 Ca -0.00 -0.59 -0.08 0.00 0.02 0.00 0.00 57.03 56.38 1hr6 h ASP 164 Cb 0.72 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1hr6 h ASP 164 CO 0.04 1.23 -0.01 0.45 -1.72 0.00 0.00 179.24 179.22 1hr6 h HIS 165 N 0.36 0.88 -0.52 4.55 3.86 -1.08 -1.71 115.15 121.48 1hr6 h HIS 165 Ca -0.02 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1hr6 h HIS 165 Cb 1.16 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 1hr6 h HIS 165 CO 0.09 0.81 0.29 1.25 0.86 0.00 0.00 177.93 181.23 1hr6 h LEU 166 N 0.76 0.66 -0.92 2.43 5.85 -0.87 -1.77 115.31 121.45 1hr6 h LEU 166 Ca 0.14 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1hr6 h LEU 166 Cb 0.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1hr6 h LEU 166 CO 0.02 0.56 0.31 0.45 -0.34 0.00 0.00 178.44 179.45 1hr6 h HIS 167 N 0.70 1.11 -0.22 1.25 3.86 -1.07 -0.85 115.15 119.93 1hr6 h HIS 167 Ca 0.18 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1hr6 h HIS 167 Cb 0.05 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1hr6 h HIS 167 CO -0.02 0.83 0.13 1.49 0.86 0.00 0.00 177.93 181.23 1hr6 h GLU 168 N 1.08 0.27 0.00 2.45 4.81 -0.54 -1.18 114.58 121.47 1hr6 h GLU 168 Ca 0.25 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.27 1hr6 h GLU 168 Cb 0.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1hr6 h GLU 168 CO -0.02 0.18 -1.00 -0.84 -0.73 0.00 0.00 179.01 176.59 1hr6 h ILE 169 N 0.28 1.40 -0.12 2.32 3.07 -1.24 -3.05 117.51 120.16 1hr6 h ILE 169 Ca 0.08 -3.05 -0.23 0.00 1.55 0.00 0.00 64.86 63.22 1hr6 h ILE 169 Cb -0.02 2.68 0.01 0.00 -0.27 0.00 0.00 36.82 39.22 1hr6 h ILE 169 CO -0.03 0.80 -0.82 0.74 -1.05 0.00 0.00 178.15 177.79 1hr6 h THR 170 N 0.00 1.29 -2.02 0.16 2.02 -1.11 -3.23 112.91 110.02 1hr6 h THR 170 Ca -0.05 -2.04 -0.69 0.00 0.77 0.00 0.00 66.41 64.40 1hr6 h THR 170 Cb 1.72 2.05 -0.34 0.00 -1.74 0.00 0.00 68.15 69.84 1hr6 h THR 170 CO 0.11 0.64 0.20 -1.22 0.37 0.00 0.00 175.52 175.62 1hr6 n TYR 171 N -3.91 3.30 -1.64 3.16 4.01 -0.45 -1.01 117.16 120.62 1hr6 n TYR 171 Ca -0.08 -2.99 -0.53 0.00 -0.16 0.00 0.00 57.90 54.14 1hr6 n TYR 171 Cb 0.76 -0.75 -0.06 0.00 -0.31 0.00 0.00 39.34 38.99 1hr6 n TYR 171 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1hr6 n LYS 172 N -0.33 1.25 -3.71 -0.72 3.00 -1.15 -1.63 118.16 114.87 1hr6 n LYS 172 Ca 0.43 0.46 -0.28 0.00 -0.00 0.00 0.00 58.31 58.91 1hr6 n LYS 172 Cb 0.38 -2.13 -0.00 0.00 0.00 0.00 0.00 35.03 33.28 1hr6 n LYS 172 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1hr6 n ASP 173 N 3.66 -3.96 -4.43 3.14 8.00 -1.26 -4.97 116.55 116.73 1hr6 n ASP 173 Ca 0.21 -0.64 -0.21 0.00 0.71 0.00 0.00 54.79 54.86 1hr6 n ASP 173 Cb 0.18 -3.23 -0.10 0.00 -0.02 0.00 0.00 41.12 37.95 1hr6 n ASP 173 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1hr6 s GLN 174 N -6.39 1.55 0.16 -1.24 -0.21 -0.65 -5.04 119.66 107.84 1hr6 s GLN 174 Ca 0.55 -1.78 -0.16 0.00 0.02 0.00 0.00 55.36 53.99 1hr6 s GLN 174 Cb -0.29 -1.16 0.07 0.00 1.00 0.00 0.00 33.01 32.64 1hr6 s GLN 174 CO 0.68 0.04 1.74 -1.35 -2.12 0.00 0.00 175.29 174.28 1hr6 h PRO 175 N 2.28 0.22 0.00 2.91 0.11 -1.87 -1.39 132.00 134.27 1hr6 h PRO 175 Ca -0.40 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1hr6 h PRO 175 Cb 1.23 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1hr6 h PRO 175 CO 0.67 0.15 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.52 1hr6 h LEU 176 N 0.23 0.00 0.00 2.35 4.07 -1.87 -2.45 115.31 117.64 1hr6 h LEU 176 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1hr6 h LEU 176 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1hr6 h LEU 176 CO -0.20 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.79 1hr6 n GLY 177 N -0.88 -1.20 3.92 0.83 0.00 -0.52 -4.81 105.19 102.52 1hr6 n GLY 177 Ca -0.02 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1hr6 n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hr6 s ARG 178 N -2.77 3.56 0.87 1.61 0.52 -0.92 -3.22 118.95 118.59 1hr6 s ARG 178 Ca 0.18 -0.24 -0.13 0.00 -0.52 0.00 0.00 55.73 55.02 1hr6 s ARG 178 Cb 0.16 -2.83 0.12 0.00 0.52 0.00 0.00 34.95 32.92 1hr6 s ARG 178 CO 0.40 0.41 1.18 0.95 0.02 0.00 0.00 175.30 178.26 1hr6 s THR 179 N -1.82 1.99 -0.02 0.02 -4.23 -1.26 -4.95 115.64 105.38 1hr6 s THR 179 Ca 0.40 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.84 1hr6 s THR 179 Cb -0.11 -2.91 -0.29 0.00 1.34 0.00 0.00 72.50 70.52 1hr6 s THR 179 CO 0.28 0.00 0.79 0.40 -0.54 0.00 0.00 174.62 175.55 1hr6 h ILE 180 N -1.29 1.07 -0.10 2.99 2.04 -1.96 -3.35 117.51 116.92 1hr6 h ILE 180 Ca -0.47 -2.68 -0.16 0.00 1.00 0.00 0.00 64.86 62.55 1hr6 h ILE 180 Cb 1.32 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 40.16 1hr6 h ILE 180 CO 0.61 0.83 -0.63 -0.07 0.00 0.00 0.00 178.15 178.89 1hr6 h LEU 181 N 0.09 0.40 0.00 1.44 4.07 -1.95 -3.39 115.31 115.97 1hr6 h LEU 181 Ca -0.28 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1hr6 h LEU 181 Cb 2.06 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.68 1hr6 h LEU 181 CO 0.17 0.93 0.00 0.61 -1.08 0.00 0.00 178.44 179.07 1hr6 n GLY 182 N 0.35 -0.60 3.77 0.83 0.00 -1.26 -4.37 105.19 103.91 1hr6 n GLY 182 Ca -0.03 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 1hr6 n GLY 182 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hr6 s PRO 183 N -2.12 2.85 0.23 1.61 0.02 -1.26 -4.84 135.00 131.48 1hr6 s PRO 183 Ca 0.00 1.45 -0.07 0.00 0.02 0.00 0.00 61.00 62.40 1hr6 s PRO 183 Cb 0.00 -1.95 0.31 0.00 0.02 0.00 0.00 34.50 32.87 1hr6 s PRO 183 CO 0.00 -1.22 1.82 0.82 -0.33 0.00 0.00 177.00 178.09 1hr6 h ILE 184 N 0.20 0.97 -0.75 2.83 1.08 -1.98 -1.32 117.51 118.54 1hr6 h ILE 184 Ca -0.47 -0.27 0.13 0.00 -0.39 0.00 0.00 64.86 63.85 1hr6 h ILE 184 Cb 1.25 0.12 -0.13 0.00 -3.07 0.00 0.00 36.82 34.99 1hr6 h ILE 184 CO 0.54 0.14 -0.35 0.50 -0.69 0.00 0.00 178.15 178.30 1hr6 h LYS 185 N 0.78 -0.09 -0.42 2.37 3.64 -2.00 -0.44 116.57 120.42 1hr6 h LYS 185 Ca 0.34 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.60 1hr6 h LYS 185 Cb 0.23 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1hr6 h LYS 185 CO -0.20 -0.06 -0.27 -0.91 -2.27 0.00 0.00 179.45 175.74 1hr6 h ASN 186 N -0.10 0.92 -0.22 4.20 4.21 -1.68 -2.59 115.58 120.33 1hr6 h ASN 186 Ca 0.28 -0.37 0.06 0.00 1.21 0.00 0.00 56.30 57.49 1hr6 h ASN 186 Cb 0.57 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1hr6 h ASN 186 CO -0.80 1.13 0.23 0.40 -1.29 0.00 0.00 177.43 177.11 1hr6 h ILE 187 N 0.76 0.47 0.00 2.81 2.04 -0.01 0.08 117.51 123.66 1hr6 h ILE 187 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 1hr6 h ILE 187 Cb 0.83 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1hr6 h ILE 187 CO 0.07 0.00 -1.30 0.29 0.00 0.00 0.00 178.15 177.21 1hr6 n LYS 188 N -3.81 0.62 0.00 2.37 5.02 -0.71 -4.43 118.16 117.22 1hr6 n LYS 188 Ca 0.02 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.46 1hr6 n LYS 188 Cb 0.37 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1hr6 n LYS 188 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1hr6 n SER 189 N -2.64 1.20 -4.72 4.39 3.41 -0.14 -5.00 113.62 110.13 1hr6 n SER 189 Ca -0.03 -1.10 -0.42 0.00 -0.26 0.00 0.00 58.87 57.05 1hr6 n SER 189 Cb 0.62 0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 65.23 1hr6 n SER 189 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1hr6 s ILE 190 N -2.04 2.09 0.27 -1.33 -1.09 -0.31 -5.00 121.20 113.80 1hr6 s ILE 190 Ca 0.10 0.06 0.10 0.00 -2.23 0.00 0.00 60.65 58.68 1hr6 s ILE 190 Cb 0.12 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1hr6 s ILE 190 CO 0.47 0.00 -0.03 0.42 -1.23 0.00 0.00 174.94 174.58 1hr6 s THR 191 N 1.18 3.31 0.62 2.92 -4.23 -1.26 -5.00 115.64 113.19 1hr6 s THR 191 Ca 0.74 -1.97 0.31 0.00 -1.18 0.00 0.00 61.69 59.59 1hr6 s THR 191 Cb -0.49 -2.78 0.36 0.00 1.34 0.00 0.00 72.50 70.92 1hr6 s THR 191 CO 0.32 -0.37 2.04 -0.09 -0.54 0.00 0.00 174.62 175.98 1hr6 h ARG 192 N 1.93 0.00 -0.04 3.99 2.43 -1.94 0.15 114.38 120.89 1hr6 h ARG 192 Ca -0.44 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 1hr6 h ARG 192 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1hr6 h ARG 192 CO 0.60 0.00 -0.07 1.15 -1.51 0.00 0.00 179.97 180.14 1hr6 h THR 193 N 0.00 1.42 -0.47 0.20 2.02 -1.99 -1.70 112.91 112.40 1hr6 h THR 193 Ca 0.07 -1.37 0.09 0.00 0.77 0.00 0.00 66.41 65.98 1hr6 h THR 193 Cb 0.61 2.24 -0.09 0.00 -1.74 0.00 0.00 68.15 69.18 1hr6 h THR 193 CO -0.00 0.37 -0.08 0.44 0.37 0.00 0.00 175.52 176.62 1hr6 h ASP 194 N -0.39 -0.36 0.07 4.18 3.32 -1.13 0.21 116.42 122.32 1hr6 h ASP 194 Ca 0.00 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1hr6 h ASP 194 Cb 0.64 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 1hr6 h ASP 194 CO 0.02 -0.13 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.15 1hr6 h LEU 195 N 0.03 -0.54 -1.39 1.55 3.38 -1.32 0.22 115.31 117.26 1hr6 h LEU 195 Ca 0.23 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 1hr6 h LEU 195 Cb 0.35 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1hr6 h LEU 195 CO -0.45 -0.26 -0.29 0.11 0.09 0.00 0.00 178.44 177.64 1hr6 h LYS 196 N -0.34 0.00 -0.26 1.13 1.57 -0.75 -1.67 116.57 116.25 1hr6 h LYS 196 Ca 0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1hr6 h LYS 196 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1hr6 h LYS 196 CO -0.13 0.29 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.45 1hr6 h ASP 197 N 0.00 0.58 -0.41 0.86 3.32 -0.01 0.11 116.42 120.86 1hr6 h ASP 197 Ca -0.00 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 1hr6 h ASP 197 Cb 0.60 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1hr6 h ASP 197 CO 0.04 0.87 0.25 0.22 -1.72 0.00 0.00 179.24 178.90 1hr6 h TYR 198 N 0.29 0.55 0.15 4.55 5.03 -0.62 0.20 116.97 127.12 1hr6 h TYR 198 Ca 0.06 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.37 1hr6 h TYR 198 Cb 0.66 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.74 1hr6 h TYR 198 CO 0.06 0.39 -0.17 0.82 -1.32 0.00 0.00 178.16 177.94 1hr6 h ILE 199 N 0.55 0.62 -0.29 1.81 2.04 -1.20 -0.32 117.51 120.71 1hr6 h ILE 199 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.04 1hr6 h ILE 199 Cb 0.00 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1hr6 h ILE 199 CO -0.03 0.00 0.09 0.74 0.00 0.00 0.00 178.15 178.95 1hr6 h THR 200 N -0.36 0.90 -0.31 -0.27 2.02 -0.57 0.17 112.91 114.50 1hr6 h THR 200 Ca 0.01 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1hr6 h THR 200 Cb 0.35 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1hr6 h THR 200 CO -0.06 0.04 0.04 0.50 0.37 0.00 0.00 175.52 176.41 1hr6 h LYS 201 N 0.21 0.52 0.03 6.66 3.64 -0.48 -3.38 116.57 123.76 1hr6 h LYS 201 Ca 0.13 -0.14 -0.34 0.00 -1.27 0.00 0.00 60.65 59.03 1hr6 h LYS 201 Cb 0.12 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1hr6 h LYS 201 CO -0.15 0.62 -2.03 0.09 -2.27 0.00 0.00 179.45 175.72 1hr6 n ASN 202 N -4.61 1.14 -4.57 4.20 3.02 -0.14 -4.78 115.26 109.52 1hr6 n ASN 202 Ca -0.02 0.20 -0.35 0.00 -0.03 0.00 0.00 54.58 54.38 1hr6 n ASN 202 Cb 0.22 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1hr6 n ASN 202 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1hr6 s TYR 203 N -2.56 2.32 -0.02 3.10 1.51 0.04 -4.89 117.35 116.86 1hr6 s TYR 203 Ca -0.14 -0.48 0.06 0.00 -1.01 0.00 0.00 57.07 55.51 1hr6 s TYR 203 Cb 0.07 -4.39 -0.02 0.00 -0.11 0.00 0.00 41.96 37.51 1hr6 s TYR 203 CO 0.78 -1.61 -0.21 0.15 -1.11 0.00 0.00 175.55 173.55 1hr6 s LYS 204 N 5.50 2.23 0.28 -0.62 -0.14 -1.26 -4.45 119.74 121.28 1hr6 s LYS 204 Ca 0.60 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 54.37 1hr6 s LYS 204 Cb 0.00 -2.17 0.58 0.00 -1.68 0.00 0.00 37.83 34.56 1hr6 s LYS 204 CO 0.06 0.58 1.80 0.78 -0.76 0.00 0.00 175.35 177.81 1hr6 h GLY 205 N 5.33 1.60 1.47 -3.33 0.00 -1.15 0.19 103.07 107.18 1hr6 h GLY 205 Ca -0.45 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1hr6 h GLY 205 CO 0.48 0.06 0.00 2.09 0.00 0.00 0.00 176.54 179.17 1hr6 n ASP 206 N -4.72 0.00 -0.52 0.19 5.75 -1.12 -0.69 116.55 115.45 1hr6 n ASP 206 Ca 0.19 -0.07 0.07 0.00 -0.01 0.00 0.00 54.79 54.97 1hr6 n ASP 206 Cb 0.42 -0.23 0.17 0.00 -1.03 0.00 0.00 41.12 40.45 1hr6 n ASP 206 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1hr6 n ARG 207 N -1.23 2.53 -4.03 0.11 1.74 0.67 -4.54 116.66 111.91 1hr6 n ARG 207 Ca 0.09 -2.42 -0.08 0.00 -0.77 0.00 0.00 57.85 54.67 1hr6 n ARG 207 Cb 0.12 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1hr6 n ARG 207 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hr6 s MET 208 N -2.19 0.51 -0.05 5.56 0.23 -1.01 -0.54 119.30 121.82 1hr6 s MET 208 Ca 0.30 -0.96 0.03 0.00 -1.03 0.00 0.00 55.69 54.03 1hr6 s MET 208 Cb 0.23 0.18 0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1hr6 s MET 208 CO 0.08 -0.10 -0.13 0.08 -2.03 0.00 0.00 175.02 172.92 1hr6 s VAL 209 N -2.94 1.12 -0.34 5.16 1.01 0.50 -2.13 120.40 122.79 1hr6 s VAL 209 Ca -0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1hr6 s VAL 209 Cb 0.01 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1hr6 s VAL 209 CO -0.06 0.34 0.15 -0.22 0.00 0.00 0.00 175.10 175.31 1hr6 s LEU 210 N 0.31 4.37 -0.04 3.92 2.96 0.15 -0.06 118.68 130.29 1hr6 s LEU 210 Ca -0.07 -0.90 0.03 0.00 -0.22 0.00 0.00 54.13 52.96 1hr6 s LEU 210 Cb -0.12 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1hr6 s LEU 210 CO 0.02 -0.31 -0.11 0.00 -1.32 0.00 0.00 176.35 174.64 1hr6 s ALA 211 N 1.52 2.82 0.04 5.97 0.00 0.44 -1.53 121.76 131.03 1hr6 s ALA 211 Ca 0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1hr6 s ALA 211 Cb -0.19 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 1hr6 s ALA 211 CO 0.05 0.57 0.09 0.20 0.00 0.00 0.00 175.76 176.67 1hr6 s GLY 212 N -0.92 0.20 0.02 0.00 0.00 -0.52 -0.29 107.32 105.81 1hr6 s GLY 212 Ca 0.13 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 43.94 1hr6 s GLY 212 CO 0.02 -0.77 0.63 0.00 0.00 0.00 0.00 173.10 172.99 1hr6 s ALA 213 N -2.85 -1.65 0.00 3.20 0.00 -0.81 -1.97 121.76 117.68 1hr6 s ALA 213 Ca -0.03 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1hr6 s ALA 213 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1hr6 s ALA 213 CO -0.06 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1hr6 n GLY 214 N 0.49 0.38 3.25 0.00 0.00 -0.97 -1.74 105.19 106.60 1hr6 n GLY 214 Ca -0.18 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1hr6 n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hr6 n ALA 215 N -0.31 4.34 -3.46 4.61 0.00 -0.18 -1.15 120.51 124.35 1hr6 n ALA 215 Ca 0.00 -3.89 -0.24 0.00 0.00 0.00 0.00 53.44 49.30 1hr6 n ALA 215 Cb 0.00 -3.54 -0.17 0.00 0.00 0.00 0.00 19.45 15.75 1hr6 n ALA 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hr6 s VAL 216 N 3.61 1.09 -0.31 0.00 1.01 -1.26 -4.77 120.40 119.76 1hr6 s VAL 216 Ca 0.51 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1hr6 s VAL 216 Cb 0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1hr6 s VAL 216 CO 0.01 0.34 0.54 -0.62 0.00 0.00 0.00 175.10 175.37 1hr6 s ASP 217 N 0.67 6.38 0.17 3.32 -1.08 -1.26 -4.65 116.67 120.22 1hr6 s ASP 217 Ca -0.14 0.24 -0.15 0.00 -0.52 0.00 0.00 52.55 51.98 1hr6 s ASP 217 Cb -0.16 -2.28 0.10 0.00 -1.46 0.00 0.00 42.92 39.12 1hr6 s ASP 217 CO 0.03 -0.42 1.76 -0.74 0.52 0.00 0.00 175.17 176.32 1hr6 h HIS 218 N 8.28 0.30 0.55 -5.34 -0.00 -1.99 -1.70 115.15 115.25 1hr6 h HIS 218 Ca -0.28 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.09 1hr6 h HIS 218 Cb 1.13 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 1hr6 h HIS 218 CO 0.74 0.13 -0.40 0.93 -0.00 0.00 0.00 177.93 179.33 1hr6 h GLU 219 N 0.35 -0.89 -0.82 5.26 3.07 -2.00 -1.47 114.58 118.08 1hr6 h GLU 219 Ca 0.19 0.06 0.08 0.00 -0.50 0.00 0.00 59.36 59.19 1hr6 h GLU 219 Cb 0.16 0.20 -0.07 0.00 -0.84 0.00 0.00 28.75 28.21 1hr6 h GLU 219 CO -0.18 -0.59 0.48 0.87 -1.40 0.00 0.00 179.01 178.19 1hr6 h LYS 220 N -0.92 0.82 -0.19 2.33 1.57 -1.98 -0.67 116.57 117.53 1hr6 h LYS 220 Ca -0.06 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1hr6 h LYS 220 Cb 0.77 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1hr6 h LYS 220 CO 0.02 0.54 -0.01 1.25 -0.57 0.00 0.00 179.45 180.68 1hr6 h LEU 221 N 0.84 0.25 -0.34 2.94 5.85 -1.06 -1.24 115.31 122.55 1hr6 h LEU 221 Ca 0.38 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 1hr6 h LEU 221 Cb 0.28 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1hr6 h LEU 221 CO -0.21 0.31 0.06 0.58 -0.34 0.00 0.00 178.44 178.83 1hr6 h VAL 222 N 0.27 1.24 0.05 1.05 2.07 -0.05 -0.19 116.25 120.68 1hr6 h VAL 222 Ca 0.06 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1hr6 h VAL 222 Cb 0.20 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1hr6 h VAL 222 CO 0.00 0.28 -0.19 1.56 0.02 0.00 0.00 177.57 179.24 1hr6 h GLN 223 N 0.40 -0.31 -0.37 1.57 4.20 -0.82 -0.44 115.11 119.34 1hr6 h GLN 223 Ca 0.10 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1hr6 h GLN 223 Cb 0.35 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1hr6 h GLN 223 CO 0.01 -0.21 0.23 1.88 -0.67 0.00 0.00 178.83 180.06 1hr6 h TYR 224 N -0.33 0.47 0.19 2.96 0.05 -1.17 0.20 116.97 119.34 1hr6 h TYR 224 Ca 0.04 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1hr6 h TYR 224 Cb 0.37 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1hr6 h TYR 224 CO -0.21 0.31 -0.09 0.00 -1.05 0.00 0.00 178.16 177.11 1hr6 h ALA 225 N 1.75 -0.26 -0.36 3.88 0.00 -0.09 0.24 119.26 124.43 1hr6 h ALA 225 Ca 0.13 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1hr6 h ALA 225 Cb -0.03 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1hr6 h ALA 225 CO -0.03 -0.63 0.11 0.37 0.00 0.00 0.00 179.25 179.08 1hr6 h GLN 226 N -0.29 0.24 0.39 0.00 5.75 -0.17 0.99 115.11 122.01 1hr6 h GLN 226 Ca -0.03 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1hr6 h GLN 226 Cb 0.23 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1hr6 h GLN 226 CO 0.04 0.16 -0.26 -0.22 -2.65 0.00 0.00 178.83 175.90 1hr6 h LYS 227 N 0.25 -0.61 0.00 1.69 3.64 -0.29 0.77 116.57 122.02 1hr6 h LYS 227 Ca 0.16 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1hr6 h LYS 227 Cb 0.15 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1hr6 h LYS 227 CO -0.18 -0.41 -0.86 0.66 -2.27 0.00 0.00 179.45 176.39 1hr6 n TYR 228 N -5.39 0.55 0.04 1.91 4.01 0.82 -4.33 117.16 114.77 1hr6 n TYR 228 Ca -0.10 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1hr6 n TYR 228 Cb 0.30 -0.66 -0.00 0.00 -0.31 0.00 0.00 39.34 38.67 1hr6 n TYR 228 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hr6 n PHE 229 N -2.19 0.00 -0.18 -0.72 3.72 0.34 -4.74 117.46 113.68 1hr6 n PHE 229 Ca 0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.54 1hr6 n PHE 229 Cb 0.47 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.43 1hr6 n PHE 229 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1hr6 h GLY 230 N 0.20 0.89 1.10 1.37 0.00 -0.63 -1.51 103.07 104.49 1hr6 h GLY 230 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1hr6 h GLY 230 CO 0.00 0.12 0.00 -2.39 0.00 0.00 0.00 176.54 174.27 1hr6 n HIS 231 N -4.50 0.00 -2.74 5.60 1.44 -1.26 -4.76 115.22 108.99 1hr6 n HIS 231 Ca 0.13 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.43 1hr6 n HIS 231 Cb 0.41 -0.05 -0.03 0.00 0.12 0.00 0.00 29.99 30.44 1hr6 n HIS 231 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1hr6 s VAL 232 N -2.10 4.88 0.50 0.61 1.01 -0.57 -5.01 120.40 119.72 1hr6 s VAL 232 Ca 0.13 1.99 -0.21 0.00 0.00 0.00 0.00 61.98 63.89 1hr6 s VAL 232 Cb 0.06 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 1hr6 s VAL 232 CO 0.11 0.16 0.73 -2.65 0.00 0.00 0.00 175.10 173.45 1hr6 n PRO 233 N 3.98 0.81 -3.75 2.72 -0.02 -1.26 -4.43 135.00 133.05 1hr6 n PRO 233 Ca 0.05 0.30 -0.24 0.00 -2.02 0.00 0.00 63.50 61.60 1hr6 n PRO 233 Cb 0.51 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1hr6 n PRO 233 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hr6 s LYS 234 N -2.05 3.47 0.76 -0.52 2.20 -1.26 -1.00 119.74 121.34 1hr6 s LYS 234 Ca 0.67 -0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 55.63 1hr6 s LYS 234 Cb -0.51 -2.83 0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1hr6 s LYS 234 CO 0.55 0.36 1.10 -1.12 -0.36 0.00 0.00 175.35 175.88 1hr6 s SER 235 N -3.74 4.94 0.01 1.43 0.01 -1.26 -4.90 113.70 110.19 1hr6 s SER 235 Ca 0.37 1.17 0.25 0.00 1.31 0.00 0.00 55.95 59.04 1hr6 s SER 235 Cb -0.10 -1.91 0.46 0.00 0.21 0.00 0.00 66.02 64.67 1hr6 s SER 235 CO 0.31 -1.67 1.38 -1.84 0.41 0.00 0.00 173.24 171.83 1hr6 n GLU 236 N -3.22 0.04 -3.19 12.44 0.28 -1.26 -4.12 120.64 121.61 1hr6 n GLU 236 Ca 0.07 0.01 -0.23 0.00 -0.16 0.00 0.00 57.16 56.85 1hr6 n GLU 236 Cb 0.57 -1.52 -0.05 0.00 1.43 0.00 0.00 31.44 31.87 1hr6 n GLU 236 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1hr6 n SER 237 N -1.58 1.76 -4.69 -1.84 7.64 -1.26 -5.11 113.62 108.55 1hr6 n SER 237 Ca 0.05 -3.10 -0.44 0.00 1.01 0.00 0.00 58.87 56.39 1hr6 n SER 237 Cb 0.35 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 62.90 1hr6 n SER 237 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1hr6 n PRO 238 N 0.67 2.19 -4.59 1.43 -0.02 -1.26 -5.02 135.00 128.40 1hr6 n PRO 238 Ca 0.26 0.78 -0.22 0.00 -2.02 0.00 0.00 63.50 62.29 1hr6 n PRO 238 Cb 0.53 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 1hr6 n PRO 238 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1hr6 s VAL 239 N -0.02 1.06 0.66 -1.45 -7.23 -1.26 -5.12 120.40 107.04 1hr6 s VAL 239 Ca 0.68 -0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 60.13 1hr6 s VAL 239 Cb -0.62 -0.90 -0.01 0.00 0.56 0.00 0.00 36.38 35.41 1hr6 s VAL 239 CO 0.49 0.31 1.19 -2.65 -0.31 0.00 0.00 175.10 174.13 1hr6 n PRO 240 N 3.02 0.95 -0.34 4.82 -0.02 -1.26 -4.85 135.00 137.32 1hr6 n PRO 240 Ca -0.16 0.38 0.32 0.00 -2.02 0.00 0.00 63.50 62.02 1hr6 n PRO 240 Cb 0.54 -2.42 0.68 0.00 -0.02 0.00 0.00 33.50 32.28 1hr6 n PRO 240 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1hr6 h LEU 241 N 0.35 0.14 -1.60 2.45 3.38 -1.89 -2.20 115.31 115.94 1hr6 h LEU 241 Ca -0.50 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1hr6 h LEU 241 Cb 1.34 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1hr6 h LEU 241 CO 0.51 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1hr6 n GLY 242 N -1.68 0.67 3.81 0.83 0.00 -1.25 -4.39 105.19 103.18 1hr6 n GLY 242 Ca 0.27 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1hr6 n GLY 242 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hr6 s SER 243 N -1.97 7.05 -0.37 1.61 1.04 -0.83 -4.91 113.70 115.32 1hr6 s SER 243 Ca 0.32 1.74 -0.41 0.00 0.48 0.00 0.00 55.95 58.08 1hr6 s SER 243 Cb 0.20 -2.55 -0.16 0.00 0.10 0.00 0.00 66.02 63.61 1hr6 s SER 243 CO 0.31 -0.28 1.92 -0.81 0.98 0.00 0.00 173.24 175.36 1hr6 n PRO 244 N -0.29 0.76 -0.26 4.02 -0.04 -1.26 -4.87 135.00 133.06 1hr6 n PRO 244 Ca 0.06 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 1hr6 n PRO 244 Cb 0.53 -2.00 0.39 0.00 -0.04 0.00 0.00 33.50 32.38 1hr6 n PRO 244 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1hr6 h ARG 245 N 8.60 0.64 0.00 0.54 9.65 -1.98 -3.48 114.38 128.36 1hr6 h ARG 245 Ca -0.34 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1hr6 h ARG 245 Cb 1.35 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1hr6 h ARG 245 CO 1.00 0.43 0.00 0.41 2.80 0.00 0.00 179.97 184.61 1hr6 n GLY 246 N -1.44 -0.61 3.69 2.80 0.00 -1.26 -5.11 105.19 103.25 1hr6 n GLY 246 Ca 0.17 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1hr6 n GLY 246 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hr6 s PRO 247 N -0.54 4.28 0.26 1.61 0.02 -1.26 -4.95 135.00 134.41 1hr6 s PRO 247 Ca 0.00 2.00 -0.30 0.00 0.02 0.00 0.00 61.00 62.72 1hr6 s PRO 247 Cb 0.00 -3.56 -0.14 0.00 0.02 0.00 0.00 34.50 30.82 1hr6 s PRO 247 CO 0.00 -0.58 1.21 1.28 -0.33 0.00 0.00 177.00 178.57 1hr6 n LEU 248 N 5.32 2.40 -4.60 -5.54 4.32 -1.26 -4.93 117.00 112.71 1hr6 n LEU 248 Ca 0.13 1.16 -0.31 0.00 -0.02 0.00 0.00 56.01 56.98 1hr6 n LEU 248 Cb 0.43 -1.34 0.17 0.00 -1.62 0.00 0.00 43.42 41.06 1hr6 n LEU 248 CO 0.59 -0.96 0.53 -2.65 -1.22 0.00 0.00 177.39 173.68 1hr6 n PRO 249 N 1.32 -0.72 -4.81 3.23 -0.02 -1.26 -5.01 135.00 127.72 1hr6 n PRO 249 Ca 0.11 -0.15 -0.27 0.00 -2.02 0.00 0.00 63.50 61.16 1hr6 n PRO 249 Cb 0.31 -2.27 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 1hr6 n PRO 249 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hr6 s VAL 250 N -2.57 1.46 -0.19 -1.45 0.11 -1.26 -5.03 120.40 111.47 1hr6 s VAL 250 Ca 0.66 -0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 1hr6 s VAL 250 Cb -0.23 -1.30 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1hr6 s VAL 250 CO 0.60 0.43 1.21 0.12 -3.33 0.00 0.00 175.10 174.13 1hr6 s PHE 251 N 0.52 2.96 -0.22 1.54 2.19 -1.26 -4.62 117.98 119.09 1hr6 s PHE 251 Ca -0.15 1.11 -0.07 0.00 0.33 0.00 0.00 56.93 58.14 1hr6 s PHE 251 Cb -0.16 -3.47 -0.04 0.00 -1.31 0.00 0.00 43.02 38.05 1hr6 s PHE 251 CO 0.05 -1.41 0.07 0.00 1.83 0.00 0.00 175.22 175.77 1hr6 s ARG 253 N 1.03 4.39 -0.09 0.00 1.70 -1.26 -4.40 118.95 120.31 1hr6 s ARG 253 Ca 0.04 1.61 -0.31 0.00 -0.47 0.00 0.00 55.73 56.60 1hr6 s ARG 253 Cb -0.14 -2.83 0.12 0.00 -0.57 0.00 0.00 34.95 31.53 1hr6 s ARG 253 CO 0.03 0.04 1.39 0.20 -1.08 0.00 0.00 175.30 175.88 1hr6 s GLY 254 N -1.29 -0.32 -0.05 3.88 0.00 -1.21 -4.96 107.32 103.37 1hr6 s GLY 254 Ca 0.52 0.46 -0.11 0.00 0.00 0.00 0.00 44.72 45.58 1hr6 s GLY 254 CO 0.33 4.37 0.27 -1.83 0.00 0.00 0.00 173.10 176.23 1hr6 s GLU 255 N -2.02 0.49 -0.18 2.90 -1.05 -1.26 -0.41 118.70 117.18 1hr6 s GLU 255 Ca 0.26 0.04 -0.04 0.00 -0.15 0.00 0.00 54.97 55.07 1hr6 s GLU 255 Cb 0.03 0.22 0.06 0.00 -0.44 0.00 0.00 34.13 34.00 1hr6 s GLU 255 CO -0.04 -0.11 0.07 0.50 0.95 0.00 0.00 175.26 176.64 1hr6 s ARG 256 N -0.67 0.24 -0.28 -4.83 3.52 -0.29 -4.97 118.95 111.67 1hr6 s ARG 256 Ca -0.08 -0.19 -0.15 0.00 -0.13 0.00 0.00 55.73 55.19 1hr6 s ARG 256 Cb -0.04 -1.91 -0.03 0.00 -1.56 0.00 0.00 34.95 31.40 1hr6 s ARG 256 CO 0.02 -0.66 0.37 -0.06 -0.81 0.00 0.00 175.30 174.16 1hr6 s PHE 257 N 2.06 3.24 -0.52 5.12 0.08 -1.26 -1.55 117.98 125.14 1hr6 s PHE 257 Ca 0.01 0.34 -0.05 0.00 0.12 0.00 0.00 56.93 57.35 1hr6 s PHE 257 Cb -0.16 -2.59 0.14 0.00 -0.57 0.00 0.00 43.02 39.83 1hr6 s PHE 257 CO -0.09 -0.26 0.35 0.42 -0.10 0.00 0.00 175.22 175.54 1hr6 s ILE 258 N 2.06 3.76 0.11 0.64 1.01 0.16 -4.97 121.20 123.96 1hr6 s ILE 258 Ca 0.14 -2.36 -0.31 0.00 0.00 0.00 0.00 60.65 58.12 1hr6 s ILE 258 Cb -0.16 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 38.74 1hr6 s ILE 258 CO 0.10 -0.80 1.41 -0.75 0.00 0.00 0.00 174.94 174.91 1hr6 s LYS 259 N 0.69 4.30 -0.46 2.79 2.20 -1.26 -1.49 119.74 126.51 1hr6 s LYS 259 Ca 0.11 2.10 0.06 0.00 -0.36 0.00 0.00 55.97 57.88 1hr6 s LYS 259 Cb -0.22 -3.28 0.18 0.00 -1.51 0.00 0.00 37.83 33.00 1hr6 s LYS 259 CO -0.03 -0.47 0.62 -2.00 -0.36 0.00 0.00 175.35 173.10 1hr6 s GLU 260 N 1.27 0.95 0.00 4.03 2.56 -0.57 -4.83 118.70 122.11 1hr6 s GLU 260 Ca 0.65 -0.98 0.12 0.00 0.00 0.00 0.00 54.97 54.75 1hr6 s GLU 260 Cb -0.37 -0.26 0.69 0.00 2.00 0.00 0.00 34.13 36.19 1hr6 s GLU 260 CO 0.30 -1.29 1.16 0.09 -0.56 0.00 0.00 175.26 174.96 1hr6 n ASN 261 N 3.42 0.00 0.09 -1.70 3.02 -1.26 -2.57 115.26 116.26 1hr6 n ASN 261 Ca 0.17 -0.80 0.09 0.00 -0.03 0.00 0.00 54.58 54.01 1hr6 n ASN 261 Cb 0.54 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1hr6 n ASN 261 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1hr6 h THR 262 N 0.00 0.11 -3.45 3.41 1.35 -1.95 -3.47 112.91 108.91 1hr6 h THR 262 Ca 0.00 -1.22 -0.52 0.00 -0.55 0.00 0.00 66.41 64.12 1hr6 h THR 262 Cb 0.00 1.62 0.03 0.00 -1.73 0.00 0.00 68.15 68.07 1hr6 h THR 262 CO 0.00 0.06 0.62 -0.76 -0.25 0.00 0.00 175.52 175.20 1hr6 s LEU 263 N -5.47 4.43 0.26 3.87 1.43 -1.06 -4.94 118.68 117.20 1hr6 s LEU 263 Ca -0.01 2.37 0.11 0.00 -1.03 0.00 0.00 54.13 55.57 1hr6 s LEU 263 Cb 0.09 -3.61 0.31 0.00 0.03 0.00 0.00 46.19 43.01 1hr6 s LEU 263 CO 0.79 -0.48 1.58 -0.65 0.23 0.00 0.00 176.35 177.82 1hr6 h PRO 264 N 5.19 0.00 -6.38 1.29 0.11 -1.91 -3.43 132.00 126.87 1hr6 h PRO 264 Ca -0.45 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.05 1hr6 h PRO 264 Cb 1.21 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.09 1hr6 h PRO 264 CO 0.76 0.64 -0.85 0.95 -0.21 0.00 0.00 178.00 179.29 1hr6 s THR 265 N -3.47 1.87 -0.07 -1.15 -4.23 -1.26 -0.37 115.64 106.97 1hr6 s THR 265 Ca -0.01 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1hr6 s THR 265 Cb 0.12 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 1hr6 s THR 265 CO 0.76 0.09 -0.07 -0.89 -0.54 0.00 0.00 174.62 173.97 1hr6 s THR 266 N -1.00 3.65 -0.11 3.99 2.01 0.02 -4.72 115.64 119.48 1hr6 s THR 266 Ca 0.09 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.62 1hr6 s THR 266 Cb -0.10 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1hr6 s THR 266 CO 0.04 0.60 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.34 1hr6 s HIS 267 N -0.77 2.45 -0.03 4.92 3.76 0.24 -0.66 115.29 125.21 1hr6 s HIS 267 Ca 0.12 -1.08 0.03 0.00 -0.15 0.00 0.00 55.06 53.98 1hr6 s HIS 267 Cb -0.11 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 31.92 1hr6 s HIS 267 CO 0.01 -0.46 -0.12 0.42 -0.85 0.00 0.00 174.74 173.74 1hr6 s ILE 268 N 0.54 1.05 -0.07 0.60 1.09 0.11 -0.60 121.20 123.92 1hr6 s ILE 268 Ca -0.15 -0.51 0.02 0.00 -1.10 0.00 0.00 60.65 58.92 1hr6 s ILE 268 Cb -0.17 -0.92 0.01 0.00 -1.06 0.00 0.00 42.46 40.33 1hr6 s ILE 268 CO 0.05 0.31 -0.14 0.00 -0.10 0.00 0.00 174.94 175.07 1hr6 s ALA 269 N 0.13 1.39 -0.13 9.38 0.00 -0.53 0.14 121.76 132.15 1hr6 s ALA 269 Ca -0.03 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1hr6 s ALA 269 Cb -0.10 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1hr6 s ALA 269 CO 0.01 0.11 -0.16 0.42 0.00 0.00 0.00 175.76 176.14 1hr6 s ILE 270 N 0.67 1.65 0.10 0.00 1.01 -0.49 -1.63 121.20 122.50 1hr6 s ILE 270 Ca -0.14 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1hr6 s ILE 270 Cb -0.16 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1hr6 s ILE 270 CO 0.04 0.47 -0.08 0.00 0.00 0.00 0.00 174.94 175.37 1hr6 s ALA 271 N 1.10 1.05 0.14 9.38 0.00 -0.54 -1.09 121.76 131.78 1hr6 s ALA 271 Ca -0.03 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.69 1hr6 s ALA 271 Cb -0.14 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1hr6 s ALA 271 CO -0.04 -0.14 -0.07 -0.51 0.00 0.00 0.00 175.76 175.00 1hr6 s LEU 272 N -2.74 2.45 0.11 0.00 1.02 -0.46 -1.26 118.68 117.80 1hr6 s LEU 272 Ca 0.08 -1.04 -0.34 0.00 0.02 0.00 0.00 54.13 52.85 1hr6 s LEU 272 Cb 0.01 -0.20 -0.14 0.00 0.02 0.00 0.00 46.19 45.89 1hr6 s LEU 272 CO -0.02 -0.42 1.63 1.21 0.02 0.00 0.00 176.35 178.76 1hr6 n GLU 273 N -0.15 2.10 0.00 1.70 2.13 -1.26 -2.03 120.64 123.12 1hr6 n GLU 273 Ca -0.10 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1hr6 n GLU 273 Cb 0.61 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1hr6 n GLU 273 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hr6 n GLY 274 N 3.57 1.78 3.38 8.31 0.00 0.33 -4.69 105.19 117.86 1hr6 n GLY 274 Ca 0.18 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 1hr6 n GLY 274 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hr6 s VAL 275 N 3.32 2.24 0.55 1.61 0.11 -1.26 -4.48 120.40 122.48 1hr6 s VAL 275 Ca 0.00 -1.61 0.02 0.00 -2.93 0.00 0.00 61.98 57.46 1hr6 s VAL 275 Cb 0.00 -1.95 0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1hr6 s VAL 275 CO 0.00 0.19 0.77 -0.94 -3.33 0.00 0.00 175.10 171.79 1hr6 s SER 276 N -1.76 5.23 0.37 3.54 1.04 -1.25 -3.84 113.70 117.03 1hr6 s SER 276 Ca 0.13 -0.15 0.10 0.00 0.48 0.00 0.00 55.95 56.51 1hr6 s SER 276 Cb -0.10 -0.70 0.86 0.00 0.10 0.00 0.00 66.02 66.17 1hr6 s SER 276 CO 0.05 -1.16 1.88 -0.50 0.98 0.00 0.00 173.24 174.48 1hr6 h TRP 277 N 0.10 0.76 -0.02 5.02 4.06 -1.52 -2.24 115.95 122.11 1hr6 h TRP 277 Ca -0.41 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.57 1hr6 h TRP 277 Cb 1.29 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1hr6 h TRP 277 CO 0.32 0.29 -0.28 -1.13 -3.56 0.00 0.00 178.44 174.08 1hr6 n SER 278 N -4.54 2.05 -4.61 -3.49 3.41 -1.26 -4.93 113.62 100.24 1hr6 n SER 278 Ca 0.17 -1.53 -0.46 0.00 -0.26 0.00 0.00 58.87 56.79 1hr6 n SER 278 Cb 0.47 0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 1hr6 n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hr6 n ALA 279 N 0.22 0.06 0.24 7.33 0.00 -0.84 -4.84 120.51 122.68 1hr6 n ALA 279 Ca 0.12 0.41 0.07 0.00 0.00 0.00 0.00 53.44 54.04 1hr6 n ALA 279 Cb 0.47 -2.10 0.58 0.00 0.00 0.00 0.00 19.45 18.40 1hr6 n ALA 279 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hr6 h PRO 280 N 2.92 0.00 -0.55 0.00 0.11 -1.93 -1.84 132.00 130.71 1hr6 h PRO 280 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1hr6 h PRO 280 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1hr6 h PRO 280 CO 0.67 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 1hr6 n ASP 281 N -4.40 3.00 -0.14 -2.05 5.75 -1.26 -4.64 116.55 112.81 1hr6 n ASP 281 Ca -0.03 -2.14 -0.11 0.00 -0.01 0.00 0.00 54.79 52.50 1hr6 n ASP 281 Cb 0.17 -0.40 -0.07 0.00 -1.03 0.00 0.00 41.12 39.80 1hr6 n ASP 281 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1hr6 h TYR 282 N 2.86 -1.44 -0.20 2.11 3.20 -1.62 -0.05 116.97 121.84 1hr6 h TYR 282 Ca 0.00 0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1hr6 h TYR 282 Cb 0.85 0.69 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 1hr6 h TYR 282 CO 0.42 -0.46 -0.15 0.74 -1.64 0.00 0.00 178.16 177.07 1hr6 h PHE 283 N -0.35 0.36 -0.23 -3.82 0.04 -1.84 -1.83 116.94 109.27 1hr6 h PHE 283 Ca 0.12 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1hr6 h PHE 283 Cb 0.59 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1hr6 h PHE 283 CO -0.67 0.48 -0.18 0.28 -0.60 0.00 0.00 178.31 177.62 1hr6 h VAL 284 N 0.31 1.23 -0.54 -0.55 2.07 -1.62 0.36 116.25 117.51 1hr6 h VAL 284 Ca 0.06 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1hr6 h VAL 284 Cb 0.46 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1hr6 h VAL 284 CO 0.03 0.34 0.06 0.00 0.02 0.00 0.00 177.57 178.02 1hr6 h ALA 285 N 1.44 0.72 -0.39 1.67 0.00 -0.21 -1.06 119.26 121.43 1hr6 h ALA 285 Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1hr6 h ALA 285 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1hr6 h ALA 285 CO 0.03 0.49 -0.26 -0.07 0.00 0.00 0.00 179.25 179.45 1hr6 h LEU 286 N 0.80 0.91 -0.67 0.00 3.38 -0.94 -2.05 115.31 116.75 1hr6 h LEU 286 Ca 0.16 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1hr6 h LEU 286 Cb 0.45 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1hr6 h LEU 286 CO 0.02 1.14 0.35 0.00 0.09 0.00 0.00 178.44 180.04 1hr6 h ALA 287 N 0.80 0.90 -0.42 1.53 0.00 0.01 -0.16 119.26 121.91 1hr6 h ALA 287 Ca 0.08 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1hr6 h ALA 287 Cb 0.83 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1hr6 h ALA 287 CO 0.07 -0.00 -0.17 1.15 0.00 0.00 0.00 179.25 180.30 1hr6 h THR 288 N 0.63 1.27 -0.25 0.00 2.02 -1.05 -1.37 112.91 114.16 1hr6 h THR 288 Ca 0.31 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 66.24 1hr6 h THR 288 Cb 0.25 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1hr6 h THR 288 CO -0.21 0.43 0.11 -0.61 0.37 0.00 0.00 175.52 175.60 1hr6 h GLN 289 N 0.71 0.23 0.00 6.66 4.15 -0.55 -1.62 115.11 124.69 1hr6 h GLN 289 Ca 0.11 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1hr6 h GLN 289 Cb 0.67 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 1hr6 h GLN 289 CO 0.05 0.15 -0.08 0.00 -1.93 0.00 0.00 178.83 177.02 1hr6 h ALA 290 N 1.14 1.75 -0.28 3.38 0.00 -0.69 0.18 119.26 124.73 1hr6 h ALA 290 Ca 0.11 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1hr6 h ALA 290 Cb 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1hr6 h ALA 290 CO -0.09 0.10 -0.53 0.82 0.00 0.00 0.00 179.25 179.55 1hr6 h ILE 291 N 0.00 1.28 0.01 0.00 2.04 -0.30 -3.12 117.51 117.42 1hr6 h ILE 291 Ca -0.00 -1.72 -0.23 0.00 1.00 0.00 0.00 64.86 63.91 1hr6 h ILE 291 Cb 0.16 1.62 0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1hr6 h ILE 291 CO 0.01 0.56 -0.90 0.58 0.00 0.00 0.00 178.15 178.40 1hr6 h VAL 292 N 0.65 1.34 -0.74 1.67 2.07 -0.93 -3.49 116.25 116.81 1hr6 h VAL 292 Ca 0.02 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.32 1hr6 h VAL 292 Cb 1.13 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1hr6 h VAL 292 CO 0.12 0.67 0.00 0.61 0.02 0.00 0.00 177.57 178.99 1hr6 n GLY 293 N 1.12 0.50 3.54 2.17 0.00 0.58 -4.96 105.19 108.14 1hr6 n GLY 293 Ca -0.11 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 1hr6 n GLY 293 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hr6 s ASN 294 N -4.00 3.37 -0.21 1.61 0.01 -1.26 -3.05 114.94 111.41 1hr6 s ASN 294 Ca 0.00 -1.31 -0.24 0.00 -0.71 0.00 0.00 52.86 50.60 1hr6 s ASN 294 Cb 0.00 -0.29 0.06 0.00 0.41 0.00 0.00 41.25 41.43 1hr6 s ASN 294 CO 0.00 -0.42 0.66 0.86 -1.51 0.00 0.00 177.10 176.69 1hr6 s TRP 295 N -2.86 -0.70 -0.06 2.20 -0.00 -0.47 -4.50 118.94 112.55 1hr6 s TRP 295 Ca 0.34 1.64 0.01 0.00 -0.00 0.00 0.00 56.10 58.09 1hr6 s TRP 295 Cb 0.07 0.27 0.02 0.00 -0.00 0.00 0.00 33.47 33.84 1hr6 s TRP 295 CO 0.16 -0.39 -0.05 0.34 -0.00 0.00 0.00 176.95 177.01 1hr6 s ASP 296 N 0.06 1.34 0.39 5.86 -1.08 0.04 -0.96 116.67 122.32 1hr6 s ASP 296 Ca -0.02 -0.17 0.24 0.00 -0.52 0.00 0.00 52.55 52.08 1hr6 s ASP 296 Cb -0.04 -0.55 1.34 0.00 -1.46 0.00 0.00 42.92 42.20 1hr6 s ASP 296 CO 0.02 -0.07 1.61 -0.09 0.52 0.00 0.00 175.17 177.16 1hr6 h ARG 297 N 7.47 0.09 0.04 4.34 2.43 -1.32 0.32 114.38 127.76 1hr6 h ARG 297 Ca -0.33 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.51 1hr6 h ARG 297 Cb 1.15 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 1hr6 h ARG 297 CO 0.43 0.06 -1.81 0.00 -1.51 0.00 0.00 179.97 177.14 1hr6 n ALA 298 N -2.38 0.94 0.12 2.80 0.00 -1.26 -4.59 120.51 116.14 1hr6 n ALA 298 Ca 0.37 -0.66 0.05 0.00 0.00 0.00 0.00 53.44 53.19 1hr6 n ALA 298 Cb 1.30 -0.47 0.02 0.00 0.00 0.00 0.00 19.45 20.30 1hr6 n ALA 298 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1hr6 h ILE 299 N -0.52 0.50 0.00 0.00 1.08 -1.87 -3.50 117.51 113.19 1hr6 h ILE 299 Ca -0.45 -1.78 0.00 0.00 -0.39 0.00 0.00 64.86 62.25 1hr6 h ILE 299 Cb 1.66 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 37.53 1hr6 h ILE 299 CO -0.12 0.28 0.00 0.61 -0.69 0.00 0.00 178.15 178.23 1hr6 n GLY 300 N 1.24 0.54 0.00 5.37 0.00 0.11 -4.46 105.19 107.99 1hr6 n GLY 300 Ca -0.01 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.61 1hr6 n GLY 300 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hr6 n THR 301 N 0.00 0.00 -0.99 2.61 -2.24 -1.26 -0.78 114.28 111.62 1hr6 n THR 301 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1hr6 n THR 301 Cb 0.00 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1hr6 n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hr6 n GLY 302 N 1.50 0.43 3.16 3.38 0.00 -1.26 -4.74 105.19 107.65 1hr6 n GLY 302 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 1hr6 n GLY 302 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hr6 s THR 303 N -2.00 1.19 0.25 2.61 2.01 -1.26 -5.05 115.64 113.39 1hr6 s THR 303 Ca 0.00 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 1hr6 s THR 303 Cb 0.00 -1.08 0.10 0.00 0.01 0.00 0.00 72.50 71.53 1hr6 s THR 303 CO 0.00 0.00 1.74 -1.13 -0.69 0.00 0.00 174.62 174.54 1hr6 h ASN 304 N 4.84 0.74 -3.48 3.53 -0.73 -2.04 -3.40 115.58 115.04 1hr6 h ASN 304 Ca -0.39 -0.20 -0.63 0.00 1.87 0.00 0.00 56.30 56.95 1hr6 h ASN 304 Cb 1.18 -0.20 -0.37 0.00 0.27 0.00 0.00 38.32 39.20 1hr6 h ASN 304 CO 0.43 0.84 -0.81 -0.44 -0.37 0.00 0.00 177.43 177.09 1hr6 s SER 305 N -6.67 3.59 0.51 1.15 0.01 -1.26 -5.13 113.70 105.89 1hr6 s SER 305 Ca -0.09 -0.98 -0.21 0.00 1.31 0.00 0.00 55.95 55.99 1hr6 s SER 305 Cb 0.14 -1.30 -0.07 0.00 0.21 0.00 0.00 66.02 65.00 1hr6 s SER 305 CO 0.81 -0.15 1.11 -2.84 0.41 0.00 0.00 173.24 172.59 1hr6 s PRO 306 N 1.34 3.58 0.84 12.44 0.02 -1.26 -5.06 135.00 146.89 1hr6 s PRO 306 Ca -0.02 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.46 1hr6 s PRO 306 Cb -0.17 -2.13 0.09 0.00 0.02 0.00 0.00 34.50 32.31 1hr6 s PRO 306 CO -0.08 -0.65 1.13 -1.54 -0.33 0.00 0.00 177.00 175.53 1hr6 s SER 307 N -1.73 4.21 0.48 2.53 1.04 -1.26 -4.83 113.70 114.14 1hr6 s SER 307 Ca 0.69 1.02 0.16 0.00 0.48 0.00 0.00 55.95 58.31 1hr6 s SER 307 Cb -0.23 -1.65 1.14 0.00 0.10 0.00 0.00 66.02 65.39 1hr6 s SER 307 CO 0.27 -2.12 2.06 -0.65 0.98 0.00 0.00 173.24 173.78 1hr6 h PRO 308 N -1.20 0.00 -0.10 4.02 0.11 -1.99 -1.43 132.00 131.41 1hr6 h PRO 308 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1hr6 h PRO 308 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1hr6 h PRO 308 CO 0.62 0.12 -0.01 1.25 -0.21 0.00 0.00 178.00 179.77 1hr6 h LEU 309 N 0.00 0.19 -0.54 2.35 5.85 -1.91 -0.55 115.31 120.69 1hr6 h LEU 309 Ca -0.00 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1hr6 h LEU 309 Cb 0.21 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1hr6 h LEU 309 CO 0.02 0.48 0.33 0.00 -0.34 0.00 0.00 178.44 178.93 1hr6 h ALA 310 N 0.71 0.69 -0.03 1.25 0.00 -1.76 0.20 119.26 120.32 1hr6 h ALA 310 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1hr6 h ALA 310 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1hr6 h ALA 310 CO 0.01 0.17 -0.00 0.28 0.00 0.00 0.00 179.25 179.70 1hr6 h VAL 311 N 0.73 0.97 -0.57 0.00 2.07 -1.23 -1.35 116.25 116.87 1hr6 h VAL 311 Ca 0.20 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 1hr6 h VAL 311 Cb -0.02 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1hr6 h VAL 311 CO -0.04 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.91 1hr6 h ALA 312 N 1.03 0.73 -0.71 1.67 0.00 -0.52 -1.78 119.26 119.69 1hr6 h ALA 312 Ca 0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1hr6 h ALA 312 Cb 0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 1hr6 h ALA 312 CO -0.03 0.10 0.34 0.00 0.00 0.00 0.00 179.25 179.66 1hr6 h ALA 313 N 1.23 0.97 0.00 0.00 0.00 -0.21 -1.82 119.26 119.43 1hr6 h ALA 313 Ca 0.22 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1hr6 h ALA 313 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1hr6 h ALA 313 CO -0.08 -0.07 0.00 -1.13 0.00 0.00 0.00 179.25 177.97 1hr6 n SER 314 N -4.88 0.80 -4.83 0.00 3.41 -0.54 -0.14 113.62 107.43 1hr6 n SER 314 Ca 0.11 0.58 -0.30 0.00 -0.26 0.00 0.00 58.87 59.00 1hr6 n SER 314 Cb 0.28 -0.79 0.08 0.00 -0.26 0.00 0.00 64.21 63.52 1hr6 n SER 314 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1hr6 s GLN 315 N -3.11 2.26 -0.31 4.33 -0.21 -0.69 -3.82 119.66 118.11 1hr6 s GLN 315 Ca 0.10 0.54 -0.02 0.00 0.02 0.00 0.00 55.36 56.00 1hr6 s GLN 315 Cb 0.12 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1hr6 s GLN 315 CO 0.59 -1.48 0.21 0.27 -2.12 0.00 0.00 175.29 172.76 1hr6 n ASN 316 N -3.32 -1.60 0.00 5.90 6.94 -1.26 -0.86 115.26 121.07 1hr6 n ASN 316 Ca 0.07 -0.36 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 1hr6 n ASN 316 Cb 0.57 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 1hr6 n ASN 316 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hr6 n GLY 317 N -0.98 3.17 0.00 4.83 0.00 -1.26 -4.83 105.19 106.12 1hr6 n GLY 317 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1hr6 n GLY 317 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hr6 n SER 318 N 0.11 -0.03 -0.06 1.61 3.41 -0.04 -4.95 113.62 113.67 1hr6 n SER 318 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1hr6 n SER 318 Cb 0.00 0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 1hr6 n SER 318 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1hr6 n LEU 319 N -0.05 1.11 -3.89 1.04 4.77 0.80 -4.95 117.00 115.83 1hr6 n LEU 319 Ca 0.00 -0.53 -0.01 0.00 -0.03 0.00 0.00 56.01 55.44 1hr6 n LEU 319 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1hr6 n LEU 319 CO 0.00 0.26 0.89 0.00 -1.33 0.00 0.00 177.39 177.22 1hr6 s ALA 320 N -2.91 -1.85 -0.06 -1.18 0.00 -1.26 -4.47 121.76 110.02 1hr6 s ALA 320 Ca 0.09 -0.16 0.13 0.00 0.00 0.00 0.00 51.96 52.02 1hr6 s ALA 320 Cb 0.16 0.77 -0.23 0.00 0.00 0.00 0.00 23.12 23.82 1hr6 s ALA 320 CO 0.82 -1.08 0.63 0.09 0.00 0.00 0.00 175.76 176.22 1hr6 n ASN 321 N -1.10 0.80 -3.61 0.00 3.02 0.83 -4.69 115.26 110.51 1hr6 n ASN 321 Ca -0.02 0.38 -0.02 0.00 -0.03 0.00 0.00 54.58 54.90 1hr6 n ASN 321 Cb 0.59 0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.79 1hr6 n ASN 321 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1hr6 s SER 322 N -6.02 -0.06 -0.01 6.41 1.04 -0.71 -0.94 113.70 113.41 1hr6 s SER 322 Ca -0.05 -0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.24 1hr6 s SER 322 Cb 0.08 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1hr6 s SER 322 CO 0.82 -0.14 0.24 -0.72 0.98 0.00 0.00 173.24 174.43 1hr6 s TYR 323 N -2.23 -0.10 -0.05 5.02 -0.85 -0.14 -1.24 117.35 117.77 1hr6 s TYR 323 Ca 0.12 0.13 -0.02 0.00 -0.52 0.00 0.00 57.07 56.77 1hr6 s TYR 323 Cb 0.01 0.04 0.04 0.00 0.38 0.00 0.00 41.96 42.43 1hr6 s TYR 323 CO -0.04 -0.34 0.10 1.41 -1.52 0.00 0.00 175.55 175.16 1hr6 s MET 324 N -1.29 -0.00 0.22 -3.49 1.75 0.16 -1.36 119.30 115.28 1hr6 s MET 324 Ca -0.14 0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 54.40 1hr6 s MET 324 Cb -0.06 -0.32 -0.09 0.00 2.84 0.00 0.00 34.83 37.20 1hr6 s MET 324 CO 0.03 -0.26 0.93 -1.12 -0.65 0.00 0.00 175.02 173.95 1hr6 s SER 325 N 1.77 7.62 0.04 1.11 0.01 -1.17 0.73 113.70 123.81 1hr6 s SER 325 Ca -0.01 1.91 0.01 0.00 1.31 0.00 0.00 55.95 59.16 1hr6 s SER 325 Cb -0.12 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 1hr6 s SER 325 CO -0.04 0.15 -0.05 0.72 0.41 0.00 0.00 173.24 174.43 1hr6 s PHE 326 N -1.09 0.47 -0.17 2.43 -0.12 -0.03 -4.92 117.98 114.55 1hr6 s PHE 326 Ca 0.41 -0.66 -0.04 0.00 -0.05 0.00 0.00 56.93 56.59 1hr6 s PHE 326 Cb -0.26 -0.31 0.08 0.00 -0.63 0.00 0.00 43.02 41.90 1hr6 s PHE 326 CO 0.31 -0.19 0.23 0.45 -0.05 0.00 0.00 175.22 175.97 1hr6 s SER 327 N -1.90 1.01 -0.10 1.98 0.15 -1.26 -0.70 113.70 112.88 1hr6 s SER 327 Ca -0.08 0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.63 1hr6 s SER 327 Cb -0.05 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1hr6 s SER 327 CO -0.03 -0.29 -0.08 -0.89 1.20 0.00 0.00 173.24 173.15 1hr6 s THR 328 N 2.35 3.58 0.07 6.45 2.01 0.23 -4.98 115.64 125.35 1hr6 s THR 328 Ca 0.05 -0.50 0.10 0.00 0.31 0.00 0.00 61.69 61.65 1hr6 s THR 328 Cb -0.14 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1hr6 s THR 328 CO -0.10 0.55 -0.26 -0.44 -0.69 0.00 0.00 174.62 173.68 1hr6 s SER 329 N -0.22 3.10 0.27 3.53 0.01 -1.26 -0.57 113.70 118.55 1hr6 s SER 329 Ca 0.03 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 56.69 1hr6 s SER 329 Cb -0.13 -0.25 -0.06 0.00 0.21 0.00 0.00 66.02 65.80 1hr6 s SER 329 CO 0.03 0.21 0.00 -0.31 0.41 0.00 0.00 173.24 173.58 1hr6 s TYR 330 N -0.90 1.75 0.37 2.43 2.02 0.16 -4.84 117.35 118.34 1hr6 s TYR 330 Ca 0.12 -0.88 0.05 0.00 -0.37 0.00 0.00 57.07 55.99 1hr6 s TYR 330 Cb -0.10 -1.05 0.75 0.00 -0.40 0.00 0.00 41.96 41.16 1hr6 s TYR 330 CO 0.03 0.04 2.00 0.00 -1.57 0.00 0.00 175.55 176.05 1hr6 h ALA 331 N 2.34 1.68 0.00 3.71 0.00 -1.95 -1.69 119.26 123.33 1hr6 h ALA 331 Ca -0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1hr6 h ALA 331 Cb 1.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1hr6 h ALA 331 CO 0.66 0.25 -0.00 -0.40 0.00 0.00 0.00 179.25 179.76 1hr6 n ASP 332 N -4.46 2.04 -3.43 0.00 5.68 -1.26 -4.44 116.55 110.68 1hr6 n ASP 332 Ca 0.08 -2.18 -0.03 0.00 -0.50 0.00 0.00 54.79 52.16 1hr6 n ASP 332 Cb 0.15 -0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.07 1hr6 n ASP 332 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1hr6 s SER 333 N -1.31 -0.03 -0.05 -1.12 0.15 -1.18 -4.38 113.70 105.78 1hr6 s SER 333 Ca 0.05 -0.62 -0.29 0.00 0.70 0.00 0.00 55.95 55.79 1hr6 s SER 333 Cb 0.05 0.49 0.11 0.00 -1.71 0.00 0.00 66.02 64.96 1hr6 s SER 333 CO 0.01 -0.97 0.92 -0.83 1.20 0.00 0.00 173.24 173.57 1hr6 s GLY 334 N -3.32 -0.42 -0.04 9.45 0.00 -1.25 0.36 107.32 112.10 1hr6 s GLY 334 Ca 0.20 1.28 0.05 0.00 0.00 0.00 0.00 44.72 46.25 1hr6 s GLY 334 CO 0.05 0.52 -0.18 1.08 0.00 0.00 0.00 173.10 174.57 1hr6 s LEU 335 N -2.11 1.95 -0.04 0.66 1.43 0.26 0.12 118.68 120.95 1hr6 s LEU 335 Ca 0.03 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1hr6 s LEU 335 Cb -0.01 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.21 1hr6 s LEU 335 CO -0.06 0.17 -0.05 0.86 0.23 0.00 0.00 176.35 177.51 1hr6 s TRP 336 N -0.04 0.70 0.00 0.29 -0.00 -0.86 0.76 118.94 119.79 1hr6 s TRP 336 Ca -0.03 -0.18 0.00 0.00 -0.00 0.00 0.00 56.10 55.90 1hr6 s TRP 336 Cb -0.11 -0.60 0.00 0.00 -0.00 0.00 0.00 33.47 32.76 1hr6 s TRP 336 CO 0.02 -0.15 0.00 0.41 -0.00 0.00 0.00 176.95 177.23 1hr6 n GLY 337 N 3.85 0.92 3.03 5.86 0.00 0.13 -1.35 105.19 117.63 1hr6 n GLY 337 Ca -0.24 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 1hr6 n GLY 337 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hr6 s MET 338 N 1.69 1.12 -0.21 1.61 1.75 -0.25 -0.85 119.30 124.16 1hr6 s MET 338 Ca 0.00 -0.37 -0.04 0.00 -1.25 0.00 0.00 55.69 54.02 1hr6 s MET 338 Cb 0.00 -1.03 -0.02 0.00 2.84 0.00 0.00 34.83 36.62 1hr6 s MET 338 CO 0.00 0.15 -0.02 -0.47 -0.65 0.00 0.00 175.02 174.03 1hr6 s TYR 339 N 0.13 2.99 -0.04 4.11 5.04 0.22 -1.39 117.35 128.41 1hr6 s TYR 339 Ca -0.03 -0.66 0.06 0.00 -2.44 0.00 0.00 57.07 54.01 1hr6 s TYR 339 Cb -0.09 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.12 1hr6 s TYR 339 CO 0.01 -0.37 -0.22 0.42 -1.34 0.00 0.00 175.55 174.05 1hr6 s ILE 340 N 1.19 2.35 -0.18 3.14 1.01 0.38 0.36 121.20 129.45 1hr6 s ILE 340 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1hr6 s ILE 340 Cb -0.14 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1hr6 s ILE 340 CO 0.00 0.58 -0.13 -0.69 0.00 0.00 0.00 174.94 174.70 1hr6 s VAL 341 N -0.52 1.70 0.41 2.92 1.01 -0.37 0.09 120.40 125.64 1hr6 s VAL 341 Ca 0.07 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1hr6 s VAL 341 Cb -0.11 -1.66 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 1hr6 s VAL 341 CO 0.01 0.34 0.08 0.42 0.00 0.00 0.00 175.10 175.94 1hr6 s THR 342 N 1.41 2.10 -0.22 3.92 -4.23 0.17 -0.12 115.64 118.66 1hr6 s THR 342 Ca 0.02 -1.87 -0.22 0.00 -1.18 0.00 0.00 61.69 58.44 1hr6 s THR 342 Cb -0.14 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1hr6 s THR 342 CO -0.10 0.00 0.70 -0.62 -0.54 0.00 0.00 174.62 174.06 1hr6 s ASP 343 N -3.80 6.72 0.53 3.99 -1.08 -1.26 -0.80 116.67 120.96 1hr6 s ASP 343 Ca 0.37 0.88 0.25 0.00 -0.52 0.00 0.00 52.55 53.53 1hr6 s ASP 343 Cb 0.07 -2.38 1.39 0.00 -1.46 0.00 0.00 42.92 40.54 1hr6 s ASP 343 CO 0.20 -0.38 1.98 0.28 0.52 0.00 0.00 175.17 177.77 1hr6 h SER 344 N 7.66 0.02 0.02 -0.34 0.02 -0.98 -2.38 113.55 117.57 1hr6 h SER 344 Ca -0.27 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.31 1hr6 h SER 344 Cb 1.12 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.59 1hr6 h SER 344 CO 0.80 0.01 -2.37 0.59 -1.14 0.00 0.00 176.83 174.73 1hr6 n ASN 345 N -4.37 0.37 -0.03 3.07 3.02 -1.26 -4.72 115.26 111.33 1hr6 n ASN 345 Ca 0.11 -0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.60 1hr6 n ASN 345 Cb 0.64 0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 40.38 1hr6 n ASN 345 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1hr6 n GLU 346 N -2.85 0.65 -4.09 3.52 4.71 -1.13 -5.00 120.64 116.45 1hr6 n GLU 346 Ca -0.34 0.15 -0.35 0.00 -0.01 0.00 0.00 57.16 56.61 1hr6 n GLU 346 Cb 1.13 -1.69 -0.07 0.00 -1.01 0.00 0.00 31.44 29.79 1hr6 n GLU 346 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1hr6 s HIS 347 N -2.70 3.39 -0.65 -0.32 3.76 -0.91 -5.01 115.29 112.84 1hr6 s HIS 347 Ca -0.06 0.34 -0.17 0.00 -0.15 0.00 0.00 55.06 55.01 1hr6 s HIS 347 Cb 0.08 -1.84 0.13 0.00 1.11 0.00 0.00 32.58 32.06 1hr6 s HIS 347 CO 0.83 0.61 0.70 1.21 -0.85 0.00 0.00 174.74 177.24 1hr6 s ASN 348 N -1.19 6.32 0.31 1.40 3.84 -1.26 -4.87 114.94 119.49 1hr6 s ASN 348 Ca 0.17 -1.79 0.07 0.00 0.21 0.00 0.00 52.86 51.52 1hr6 s ASN 348 Cb -0.12 -2.27 0.87 0.00 -0.55 0.00 0.00 41.25 39.18 1hr6 s ASN 348 CO 0.07 -0.96 1.62 0.58 -2.79 0.00 0.00 177.10 175.62 1hr6 h VAL 349 N 5.72 0.21 -1.02 -5.21 2.07 -1.88 0.14 116.25 116.29 1hr6 h VAL 349 Ca -0.19 -0.05 0.24 0.00 0.82 0.00 0.00 66.70 67.52 1hr6 h VAL 349 Cb 1.08 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.78 1hr6 h VAL 349 CO 1.03 0.03 0.64 -0.09 0.02 0.00 0.00 177.57 179.19 1hr6 h ARG 350 N 0.16 0.49 -0.50 1.57 2.43 -1.85 -1.21 114.38 115.47 1hr6 h ARG 350 Ca 0.63 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.70 1hr6 h ARG 350 Cb 1.39 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1hr6 h ARG 350 CO -0.72 0.32 0.03 -0.07 -1.51 0.00 0.00 179.97 178.03 1hr6 h LEU 351 N 0.50 0.83 -0.55 3.80 3.38 -1.29 -0.69 115.31 121.30 1hr6 h LEU 351 Ca 0.60 -0.29 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 1hr6 h LEU 351 Cb 1.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1hr6 h LEU 351 CO -0.35 0.92 -0.70 -0.29 0.09 0.00 0.00 178.44 178.11 1hr6 h ILE 352 N 0.72 1.45 -0.48 1.22 6.09 -1.36 -2.84 117.51 122.31 1hr6 h ILE 352 Ca 0.15 -2.27 -0.05 0.00 -1.37 0.00 0.00 64.86 61.31 1hr6 h ILE 352 Cb 0.47 2.21 -0.02 0.00 0.47 0.00 0.00 36.82 39.95 1hr6 h ILE 352 CO 0.02 0.66 0.09 0.58 -3.07 0.00 0.00 178.15 176.43 1hr6 h VAL 353 N 0.10 1.24 -0.52 2.19 2.07 -1.06 -1.78 116.25 118.48 1hr6 h VAL 353 Ca -0.02 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 66.70 1hr6 h VAL 353 Cb 1.25 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 1hr6 h VAL 353 CO 0.10 0.32 0.12 0.78 0.02 0.00 0.00 177.57 178.91 1hr6 h ASN 354 N 0.67 0.03 -0.35 0.57 -0.26 -0.99 -0.90 115.58 114.34 1hr6 h ASN 354 Ca 0.15 0.09 -0.04 0.00 -0.56 0.00 0.00 56.30 55.94 1hr6 h ASN 354 Cb 0.37 0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 1hr6 h ASN 354 CO 0.01 0.04 0.10 -0.33 -1.06 0.00 0.00 177.43 176.18 1hr6 h GLU 355 N 0.26 0.63 -0.29 0.81 4.39 -1.22 0.28 114.58 119.44 1hr6 h GLU 355 Ca 0.27 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 1hr6 h GLU 355 Cb 0.36 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1hr6 h GLU 355 CO -0.34 0.58 -0.16 0.82 -1.16 0.00 0.00 179.01 178.75 1hr6 h ILE 356 N 0.61 1.30 -0.72 3.13 2.04 -0.41 -1.37 117.51 122.10 1hr6 h ILE 356 Ca 0.14 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1hr6 h ILE 356 Cb 0.24 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1hr6 h ILE 356 CO -0.00 0.40 0.19 -0.07 0.00 0.00 0.00 178.15 178.67 1hr6 h LEU 357 N 0.36 1.07 -1.15 1.44 3.38 -0.87 -1.43 115.31 118.10 1hr6 h LEU 357 Ca 0.06 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1hr6 h LEU 357 Cb 0.68 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1hr6 h LEU 357 CO 0.05 1.01 0.57 0.50 0.09 0.00 0.00 178.44 180.66 1hr6 h LYS 358 N 1.08 1.12 -0.30 1.13 3.64 -0.74 0.23 116.57 122.73 1hr6 h LYS 358 Ca 0.23 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 1hr6 h LYS 358 Cb 0.35 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1hr6 h LYS 358 CO -0.00 0.74 -0.37 1.49 -2.27 0.00 0.00 179.45 179.04 1hr6 h GLU 359 N 1.16 0.70 -0.48 1.90 4.57 -0.68 0.04 114.58 121.79 1hr6 h GLU 359 Ca 0.32 -0.34 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 1hr6 h GLU 359 Cb -0.10 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1hr6 h GLU 359 CO -0.08 0.95 -0.18 -1.49 -1.18 0.00 0.00 179.01 177.03 1hr6 h TRP 360 N 0.58 1.10 -0.07 0.92 6.55 -0.59 -2.45 115.95 121.99 1hr6 h TRP 360 Ca 0.05 -0.26 -0.08 0.00 0.95 0.00 0.00 58.89 59.55 1hr6 h TRP 360 Cb 0.90 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 28.93 1hr6 h TRP 360 CO 0.04 1.07 -0.33 0.87 -1.05 0.00 0.00 178.44 179.05 1hr6 h LYS 361 N 0.82 0.13 -0.61 0.49 1.57 -0.72 -0.79 116.57 117.45 1hr6 h LYS 361 Ca 0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1hr6 h LYS 361 Cb 0.76 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1hr6 h LYS 361 CO 0.06 0.45 0.39 -0.09 -0.57 0.00 0.00 179.45 179.69 1hr6 h ARG 362 N 0.11 0.82 -0.04 3.15 2.43 -0.59 0.71 114.38 120.97 1hr6 h ARG 362 Ca 0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1hr6 h ARG 362 Cb 0.64 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1hr6 h ARG 362 CO 0.05 0.57 0.00 0.82 -1.51 0.00 0.00 179.97 179.90 1hr6 h ILE 363 N 0.83 1.23 -0.70 1.20 2.04 -0.95 -2.28 117.51 118.87 1hr6 h ILE 363 Ca 0.22 -0.68 0.13 0.00 1.00 0.00 0.00 64.86 65.53 1hr6 h ILE 363 Cb -0.06 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1hr6 h ILE 363 CO -0.05 0.18 0.47 0.11 0.00 0.00 0.00 178.15 178.87 1hr6 h LYS 364 N -0.20 0.39 -0.00 2.37 1.57 -0.82 0.19 116.57 120.07 1hr6 h LYS 364 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1hr6 h LYS 364 Cb 0.29 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1hr6 h LYS 364 CO 0.00 0.26 -0.00 -1.13 -0.57 0.00 0.00 179.45 178.01 1hr6 n SER 365 N -4.47 0.30 0.00 0.86 3.41 0.21 -4.85 113.62 109.08 1hr6 n SER 365 Ca 0.13 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1hr6 n SER 365 Cb 0.48 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1hr6 n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hr6 n GLY 366 N 1.06 1.44 2.54 5.00 0.00 0.66 -4.93 105.19 110.96 1hr6 n GLY 366 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1hr6 n GLY 366 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hr6 n LYS 367 N -2.00 2.65 -4.33 1.61 4.01 -0.89 -4.83 118.16 114.37 1hr6 n LYS 367 Ca 0.00 -1.78 -0.18 0.00 -0.51 0.00 0.00 58.31 55.84 1hr6 n LYS 367 Cb 0.00 -2.63 -0.14 0.00 -0.51 0.00 0.00 35.03 31.75 1hr6 n LYS 367 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1hr6 s ILE 368 N 3.06 0.75 0.68 -0.18 -4.36 -1.26 -4.80 121.20 115.09 1hr6 s ILE 368 Ca 0.51 -0.53 -0.11 0.00 -0.26 0.00 0.00 60.65 60.26 1hr6 s ILE 368 Cb 0.13 -0.65 0.00 0.00 1.25 0.00 0.00 42.46 43.19 1hr6 s ILE 368 CO -0.04 0.12 1.07 -0.94 0.24 0.00 0.00 174.94 175.40 1hr6 s SER 369 N -0.47 5.63 0.20 4.36 1.04 -1.26 -4.96 113.70 118.24 1hr6 s SER 369 Ca 0.02 1.26 -0.08 0.00 0.48 0.00 0.00 55.95 57.63 1hr6 s SER 369 Cb -0.05 -2.14 0.12 0.00 0.10 0.00 0.00 66.02 64.05 1hr6 s SER 369 CO -0.00 -1.24 1.72 0.44 0.98 0.00 0.00 173.24 175.14 1hr6 h ASP 370 N -0.58 1.07 -0.24 7.02 3.32 -2.00 -2.75 116.42 122.27 1hr6 h ASP 370 Ca -0.45 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.41 1hr6 h ASP 370 Cb 1.23 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 1hr6 h ASP 370 CO 0.63 1.02 0.02 0.00 -1.72 0.00 0.00 179.24 179.18 1hr6 h ALA 371 N 1.09 0.22 0.00 3.45 0.00 -1.99 0.68 119.26 122.72 1hr6 h ALA 371 Ca 0.23 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1hr6 h ALA 371 Cb 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1hr6 h ALA 371 CO -0.00 -0.41 -0.20 1.05 0.00 0.00 0.00 179.25 179.69 1hr6 h GLU 372 N 0.10 0.00 -0.04 0.00 4.11 -1.91 -1.01 114.58 115.83 1hr6 h GLU 372 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.52 1hr6 h GLU 372 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1hr6 h GLU 372 CO -0.17 0.20 -0.07 0.28 0.07 0.00 0.00 179.01 179.32 1hr6 h VAL 373 N 0.00 1.43 -0.42 -1.06 2.07 -1.10 -1.73 116.25 115.43 1hr6 h VAL 373 Ca -0.00 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1hr6 h VAL 373 Cb 0.71 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1hr6 h VAL 373 CO 0.03 0.37 0.24 0.78 0.02 0.00 0.00 177.57 179.00 1hr6 h ASN 374 N -0.40 0.50 0.03 0.57 -0.26 -0.68 -0.39 115.58 114.95 1hr6 h ASN 374 Ca 0.00 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1hr6 h ASN 374 Cb 0.63 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 1hr6 h ASN 374 CO 0.02 0.40 -0.01 -0.09 -1.06 0.00 0.00 177.43 176.69 1hr6 h ARG 375 N 0.58 -0.03 -0.73 0.81 2.43 -1.13 -1.71 114.38 114.59 1hr6 h ARG 375 Ca 0.15 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1hr6 h ARG 375 Cb 0.01 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 1hr6 h ARG 375 CO -0.03 0.32 0.43 0.00 -1.51 0.00 0.00 179.97 179.18 1hr6 h ALA 376 N 0.57 0.99 -0.52 2.80 0.00 -0.86 0.33 119.26 122.58 1hr6 h ALA 376 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1hr6 h ALA 376 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1hr6 h ALA 376 CO 0.01 0.12 -0.00 0.87 0.00 0.00 0.00 179.25 180.25 1hr6 h LYS 377 N 0.78 0.87 -0.57 0.00 1.57 -0.98 -0.68 116.57 117.57 1hr6 h LYS 377 Ca 0.33 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1hr6 h LYS 377 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1hr6 h LYS 377 CO -0.18 0.87 -0.05 0.00 -0.57 0.00 0.00 179.45 179.52 1hr6 h ALA 378 N 1.19 0.78 -0.22 3.86 0.00 -0.55 0.07 119.26 124.38 1hr6 h ALA 378 Ca 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1hr6 h ALA 378 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1hr6 h ALA 378 CO 0.02 0.66 0.08 0.37 0.00 0.00 0.00 179.25 180.38 1hr6 h GLN 379 N 0.94 0.33 -0.51 0.00 4.15 -0.61 -2.26 115.11 117.16 1hr6 h GLN 379 Ca 0.16 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1hr6 h GLN 379 Cb 0.62 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1hr6 h GLN 379 CO 0.04 0.39 0.25 1.25 -1.93 0.00 0.00 178.83 178.83 1hr6 h LEU 380 N 0.20 0.66 -0.77 -2.39 5.85 -0.97 -0.73 115.31 117.15 1hr6 h LEU 380 Ca 0.07 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1hr6 h LEU 380 Cb 0.19 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1hr6 h LEU 380 CO -0.01 0.60 0.49 0.11 -0.34 0.00 0.00 178.44 179.29 1hr6 h LYS 381 N 0.67 0.93 -0.17 1.25 1.57 -0.87 -0.31 116.57 119.64 1hr6 h LYS 381 Ca 0.17 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1hr6 h LYS 381 Cb 0.11 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1hr6 h LYS 381 CO -0.02 0.62 -0.10 0.00 -0.57 0.00 0.00 179.45 179.37 1hr6 h ALA 382 N 1.32 0.24 -0.97 3.86 0.00 -1.17 0.17 119.26 122.71 1hr6 h ALA 382 Ca 0.31 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1hr6 h ALA 382 Cb 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1hr6 h ALA 382 CO -0.11 0.07 0.64 0.00 0.00 0.00 0.00 179.25 179.85 1hr6 h ALA 383 N 0.67 1.35 0.02 0.00 0.00 -0.86 -0.82 119.26 119.62 1hr6 h ALA 383 Ca 0.04 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1hr6 h ALA 383 Cb 0.59 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1hr6 h ALA 383 CO 0.03 0.57 -1.28 -0.07 0.00 0.00 0.00 179.25 178.50 1hr6 h LEU 384 N 1.26 0.06 0.00 0.00 3.38 -0.96 -3.39 115.31 115.65 1hr6 h LEU 384 Ca 0.37 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 58.08 1hr6 h LEU 384 Cb -0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1hr6 h LEU 384 CO -0.10 1.06 -1.72 0.18 0.09 0.00 0.00 178.44 177.95 1hr6 n LEU 385 N -3.27 2.73 0.09 1.67 4.77 0.57 -4.40 117.00 119.15 1hr6 n LEU 385 Ca -0.07 -0.04 0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1hr6 n LEU 385 Cb 0.99 -0.43 0.45 0.00 -2.33 0.00 0.00 43.42 42.09 1hr6 n LEU 385 CO 0.47 0.66 0.84 0.18 -1.33 0.00 0.00 177.39 178.21 1hr6 n LEU 386 N -2.96 0.49 0.12 2.23 4.77 -0.33 -1.99 117.00 119.34 1hr6 n LEU 386 Ca -0.23 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1hr6 n LEU 386 Cb 0.73 -0.51 0.20 0.00 -2.33 0.00 0.00 43.42 41.51 1hr6 n LEU 386 CO 0.11 -0.37 0.55 0.77 -1.33 0.00 0.00 177.39 177.12 1hr6 h SER 387 N 0.00 0.00 -0.34 -1.43 4.64 -1.74 -3.38 113.55 111.30 1hr6 h SER 387 Ca 0.00 -0.06 -0.67 0.00 -0.47 0.00 0.00 61.79 60.59 1hr6 h SER 387 Cb 0.42 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.46 1hr6 h SER 387 CO 0.00 0.03 2.62 0.18 -0.87 0.00 0.00 176.83 178.79 1hr6 n LEU 388 N -2.53 5.74 -0.08 5.97 4.77 -0.84 -4.60 117.00 125.43 1hr6 n LEU 388 Ca 0.03 -3.91 -0.13 0.00 -0.03 0.00 0.00 56.01 51.98 1hr6 n LEU 388 Cb 0.48 -1.65 -0.04 0.00 -2.33 0.00 0.00 43.42 39.88 1hr6 n LEU 388 CO 0.35 0.48 -0.79 -0.67 -1.33 0.00 0.00 177.39 175.43 1hr6 n ASP 389 N 7.49 1.77 -4.71 -1.43 -0.08 -1.26 -4.86 116.55 113.46 1hr6 n ASP 389 Ca 0.50 0.30 -0.26 0.00 -1.51 0.00 0.00 54.79 53.82 1hr6 n ASP 389 Cb 0.42 -0.68 0.10 0.00 2.34 0.00 0.00 41.12 43.30 1hr6 n ASP 389 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1hr6 s GLY 390 N -4.96 1.72 0.33 0.27 0.00 -1.26 -4.92 107.32 98.50 1hr6 s GLY 390 Ca -0.27 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.36 1hr6 s GLY 390 CO 0.38 -0.61 1.87 1.48 0.00 0.00 0.00 173.10 176.22 1hr6 h SER 391 N -0.82 0.53 -0.03 1.64 4.64 -1.96 -1.83 113.55 115.72 1hr6 h SER 391 Ca -0.43 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1hr6 h SER 391 Cb 1.29 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1hr6 h SER 391 CO 0.52 0.58 0.02 0.74 -0.87 0.00 0.00 176.83 177.82 1hr6 h THR 392 N 0.54 1.07 -0.59 2.95 2.02 -1.92 0.21 112.91 117.20 1hr6 h THR 392 Ca 0.12 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1hr6 h THR 392 Cb 0.32 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1hr6 h THR 392 CO 0.01 0.06 0.11 0.00 0.37 0.00 0.00 175.52 176.07 1hr6 h ALA 393 N 0.93 1.09 -0.35 6.16 0.00 -1.86 -0.17 119.26 125.06 1hr6 h ALA 393 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1hr6 h ALA 393 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1hr6 h ALA 393 CO -0.00 0.60 -0.12 0.82 0.00 0.00 0.00 179.25 180.54 1hr6 h ILE 394 N 0.88 1.28 -0.51 0.00 2.04 -1.11 -1.35 117.51 118.75 1hr6 h ILE 394 Ca 0.18 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1hr6 h ILE 394 Cb 0.36 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1hr6 h ILE 394 CO 0.01 0.40 0.31 0.58 0.00 0.00 0.00 178.15 179.44 1hr6 h VAL 395 N 0.48 1.15 -0.71 1.67 2.07 -0.35 0.90 116.25 121.47 1hr6 h VAL 395 Ca 0.08 -0.33 0.14 0.00 0.82 0.00 0.00 66.70 67.41 1hr6 h VAL 395 Cb 0.64 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 30.78 1hr6 h VAL 395 CO 0.04 0.15 0.24 -0.08 0.02 0.00 0.00 177.57 177.94 1hr6 h GLU 396 N 0.68 0.36 -0.18 1.57 4.57 -0.79 0.25 114.58 121.02 1hr6 h GLU 396 Ca 0.18 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.14 1hr6 h GLU 396 Cb -0.02 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1hr6 h GLU 396 CO -0.03 0.24 -0.67 0.22 -1.18 0.00 0.00 179.01 177.58 1hr6 h ASP 397 N 0.37 0.81 0.49 1.04 3.58 -0.26 -1.93 116.42 120.53 1hr6 h ASP 397 Ca 0.39 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 1hr6 h ASP 397 Cb 0.61 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1hr6 h ASP 397 CO -0.42 1.26 -0.24 0.40 -2.88 0.00 0.00 179.24 177.36 1hr6 h ILE 398 N 0.51 0.43 0.25 2.25 2.04 -0.21 -2.27 117.51 120.50 1hr6 h ILE 398 Ca -0.02 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1hr6 h ILE 398 Cb 1.27 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1hr6 h ILE 398 CO 0.13 0.05 -0.38 1.23 0.00 0.00 0.00 178.15 179.19 1hr6 h GLY 399 N -0.91 -0.83 0.98 5.37 0.00 -0.60 -1.08 103.07 106.00 1hr6 h GLY 399 Ca -0.07 0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.72 1hr6 h GLY 399 CO 0.11 -0.29 0.52 -0.09 0.00 0.00 0.00 176.54 176.79 1hr6 h ARG 400 N -0.70 1.02 -0.23 4.80 2.43 -1.45 0.36 114.38 120.61 1hr6 h ARG 400 Ca -0.00 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1hr6 h ARG 400 Cb 0.67 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1hr6 h ARG 400 CO -0.14 0.67 0.07 1.96 -1.51 0.00 0.00 179.97 181.03 1hr6 h GLN 401 N 1.05 0.36 -0.05 0.20 4.20 -1.23 -1.79 115.11 117.85 1hr6 h GLN 401 Ca 0.29 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1hr6 h GLN 401 Cb -0.10 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1hr6 h GLN 401 CO -0.07 0.44 -0.04 0.28 -0.67 0.00 0.00 178.83 178.77 1hr6 h VAL 402 N 0.21 1.37 0.00 -0.54 2.07 -1.00 0.18 116.25 118.54 1hr6 h VAL 402 Ca 0.08 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1hr6 h VAL 402 Cb 0.23 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1hr6 h VAL 402 CO -0.00 0.32 -0.10 1.62 0.02 0.00 0.00 177.57 179.43 1hr6 h VAL 403 N -0.33 0.77 -0.00 2.57 3.04 -0.96 0.52 116.25 121.86 1hr6 h VAL 403 Ca 0.01 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1hr6 h VAL 403 Cb 0.54 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1hr6 h VAL 403 CO 0.01 0.10 -0.65 0.35 -1.01 0.00 0.00 177.57 176.37 1hr6 n THR 404 N -3.97 0.00 0.00 3.17 -2.24 -0.68 -4.69 114.28 105.87 1hr6 n THR 404 Ca -0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1hr6 n THR 404 Cb 0.19 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 1hr6 n THR 404 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1hr6 n THR 405 N -1.13 0.00 -0.41 4.28 -1.04 0.62 -4.72 114.28 111.88 1hr6 n THR 405 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1hr6 n THR 405 Cb 0.25 0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1hr6 n THR 405 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hr6 n GLY 406 N 0.89 0.95 3.64 3.41 0.00 0.18 -3.94 105.19 110.33 1hr6 n GLY 406 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1hr6 n GLY 406 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hr6 s LYS 407 N -0.47 1.54 -0.21 1.61 -2.85 -1.25 -4.85 119.74 113.25 1hr6 s LYS 407 Ca 0.00 -0.79 0.02 0.00 -1.00 0.00 0.00 55.97 54.20 1hr6 s LYS 407 Cb 0.00 0.59 0.04 0.00 -2.06 0.00 0.00 37.83 36.39 1hr6 s LYS 407 CO 0.00 -0.69 -0.16 0.50 0.10 0.00 0.00 175.35 175.10 1hr6 s ARG 408 N -3.85 2.66 0.10 1.78 3.00 -1.26 -3.18 118.95 118.18 1hr6 s ARG 408 Ca 0.07 -1.01 -0.30 0.00 -1.00 0.00 0.00 55.73 53.49 1hr6 s ARG 408 Cb -0.03 -2.67 -0.06 0.00 0.00 0.00 0.00 34.95 32.19 1hr6 s ARG 408 CO -0.02 -0.35 1.11 -0.51 0.00 0.00 0.00 175.30 175.53 1hr6 s LEU 409 N 1.23 4.42 0.82 -0.88 1.43 -1.26 -5.01 118.68 119.43 1hr6 s LEU 409 Ca -0.00 1.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 1hr6 s LEU 409 Cb -0.16 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.56 1hr6 s LEU 409 CO -0.10 -0.31 1.09 -0.94 0.23 0.00 0.00 176.35 176.32 1hr6 s SER 410 N 0.54 4.22 0.21 2.29 1.04 -1.26 -4.70 113.70 116.03 1hr6 s SER 410 Ca 0.53 1.53 -0.10 0.00 0.48 0.00 0.00 55.95 58.39 1hr6 s SER 410 Cb -0.27 -2.25 0.29 0.00 0.10 0.00 0.00 66.02 63.89 1hr6 s SER 410 CO 0.31 -2.17 1.72 -0.65 0.98 0.00 0.00 173.24 173.42 1hr6 h PRO 411 N -1.23 0.29 -0.87 4.02 0.11 -1.96 0.51 132.00 132.87 1hr6 h PRO 411 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1hr6 h PRO 411 Cb 1.26 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1hr6 h PRO 411 CO 0.55 0.19 0.45 0.93 -0.21 0.00 0.00 178.00 179.92 1hr6 h GLU 412 N 0.30 1.23 -0.28 1.05 3.07 -1.99 0.29 114.58 118.25 1hr6 h GLU 412 Ca 0.31 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1hr6 h GLU 412 Cb 0.45 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1hr6 h GLU 412 CO -0.38 0.92 0.00 0.93 -1.40 0.00 0.00 179.01 179.08 1hr6 h GLU 413 N 1.23 0.49 -0.73 2.33 5.08 -1.28 -1.75 114.58 119.96 1hr6 h GLU 413 Ca 0.30 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1hr6 h GLU 413 Cb 0.06 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1hr6 h GLU 413 CO -0.04 0.64 0.41 0.28 -1.00 0.00 0.00 179.01 179.30 1hr6 h VAL 414 N 0.28 1.22 -0.34 3.13 2.07 0.39 -0.81 116.25 122.19 1hr6 h VAL 414 Ca 0.08 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1hr6 h VAL 414 Cb 0.42 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1hr6 h VAL 414 CO 0.01 0.24 -0.03 0.15 0.02 0.00 0.00 177.57 177.96 1hr6 h PHE 415 N 1.00 -0.08 -0.68 1.57 3.04 -0.23 -1.68 116.94 119.87 1hr6 h PHE 415 Ca 0.26 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.26 1hr6 h PHE 415 Cb 0.02 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.58 1hr6 h PHE 415 CO -0.00 -0.10 0.43 1.49 -2.02 0.00 0.00 178.31 178.11 1hr6 h GLU 416 N 0.06 0.83 -0.34 1.11 4.57 -0.74 0.24 114.58 120.30 1hr6 h GLU 416 Ca 0.17 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1hr6 h GLU 416 Cb 0.24 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1hr6 h GLU 416 CO -0.31 0.55 0.19 1.96 -1.18 0.00 0.00 179.01 180.22 1hr6 h GLN 417 N 0.85 0.46 0.07 1.92 1.08 -0.43 -2.50 115.11 116.57 1hr6 h GLN 417 Ca 0.27 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.25 1hr6 h GLN 417 Cb -0.01 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1hr6 h GLN 417 CO -0.09 0.34 -0.87 0.28 -0.95 0.00 0.00 178.83 177.54 1hr6 h VAL 418 N 0.47 1.33 -0.98 -0.54 2.07 -0.49 -3.36 116.25 114.75 1hr6 h VAL 418 Ca 0.12 -2.38 0.26 0.00 0.82 0.00 0.00 66.70 65.53 1hr6 h VAL 418 Cb 0.02 2.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 1hr6 h VAL 418 CO -0.02 0.61 0.68 -0.78 0.02 0.00 0.00 177.57 178.08 1hr6 h ASP 419 N -0.62 0.21 0.40 0.57 3.58 -0.39 -0.59 116.42 119.58 1hr6 h ASP 419 Ca -0.19 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1hr6 h ASP 419 Cb 1.45 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1hr6 h ASP 419 CO 0.02 0.06 -0.10 2.29 -2.88 0.00 0.00 179.24 178.62 1hr6 n LYS 420 N -4.40 0.62 -1.98 0.28 2.85 -0.96 -4.91 118.16 109.68 1hr6 n LYS 420 Ca 0.22 -0.19 -0.40 0.00 -1.05 0.00 0.00 58.31 56.89 1hr6 n LYS 420 Cb 0.93 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.81 1hr6 n LYS 420 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1hr6 s ILE 421 N -2.51 2.44 0.28 0.58 1.01 -0.23 -5.02 121.20 117.76 1hr6 s ILE 421 Ca 0.28 0.40 0.10 0.00 0.00 0.00 0.00 60.65 61.44 1hr6 s ILE 421 Cb 0.20 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 1hr6 s ILE 421 CO 0.48 0.07 -0.16 0.42 0.00 0.00 0.00 174.94 175.75 1hr6 s THR 422 N -1.23 2.25 0.28 2.92 -4.23 -1.26 -5.01 115.64 109.37 1hr6 s THR 422 Ca 0.57 -2.31 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1hr6 s THR 422 Cb -0.40 -2.35 0.28 0.00 1.34 0.00 0.00 72.50 71.37 1hr6 s THR 422 CO 0.52 -0.38 1.85 0.50 -0.54 0.00 0.00 174.62 176.57 1hr6 h LYS 423 N 2.26 1.01 -0.31 3.99 3.64 -1.97 -1.42 116.57 123.76 1hr6 h LYS 423 Ca -0.40 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1hr6 h LYS 423 Cb 1.25 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1hr6 h LYS 423 CO 0.63 0.67 0.11 0.22 -2.27 0.00 0.00 179.45 178.80 1hr6 h ASP 424 N 1.04 0.45 -0.52 4.20 3.58 -1.99 -1.13 116.42 122.05 1hr6 h ASP 424 Ca 0.49 -0.19 0.10 0.00 0.42 0.00 0.00 57.03 57.84 1hr6 h ASP 424 Cb 0.42 -0.12 -0.09 0.00 1.72 0.00 0.00 39.33 41.27 1hr6 h ASP 424 CO -0.25 0.52 -0.00 0.44 -2.88 0.00 0.00 179.24 177.07 1hr6 h ASP 425 N 0.35 -0.22 -0.11 2.28 3.32 -1.67 0.60 116.42 120.96 1hr6 h ASP 425 Ca 0.10 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1hr6 h ASP 425 Cb 0.22 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1hr6 h ASP 425 CO -0.01 -0.08 0.06 0.40 -1.72 0.00 0.00 179.24 177.89 1hr6 h ILE 426 N 0.11 1.09 -0.97 0.35 2.04 -1.19 0.12 117.51 119.07 1hr6 h ILE 426 Ca 0.26 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1hr6 h ILE 426 Cb 0.40 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1hr6 h ILE 426 CO -0.43 0.08 0.64 0.40 0.00 0.00 0.00 178.15 178.83 1hr6 h ILE 427 N 0.07 1.19 0.17 -0.67 2.04 -0.68 -1.09 117.51 118.55 1hr6 h ILE 427 Ca 0.04 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1hr6 h ILE 427 Cb 0.08 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 35.99 1hr6 h ILE 427 CO -0.01 0.23 -0.08 0.24 0.00 0.00 0.00 178.15 178.53 1hr6 h MET 428 N 1.25 -0.22 -0.96 2.37 2.86 -0.61 -1.96 114.93 117.66 1hr6 h MET 428 Ca 0.37 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.07 1hr6 h MET 428 Cb -0.05 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 1hr6 h MET 428 CO -0.11 -0.11 0.63 2.35 1.06 0.00 0.00 176.91 180.73 1hr6 h TRP 429 N -0.28 1.17 -0.51 -0.22 7.01 -0.56 -0.89 115.95 121.66 1hr6 h TRP 429 Ca -0.02 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.88 1hr6 h TRP 429 Cb 0.22 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 1hr6 h TRP 429 CO -0.05 0.66 -0.17 0.00 -2.79 0.00 0.00 178.44 176.09 1hr6 h ALA 430 N 1.45 0.73 0.00 2.65 0.00 -1.08 -0.32 119.26 122.68 1hr6 h ALA 430 Ca 0.39 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1hr6 h ALA 430 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1hr6 h ALA 430 CO -0.12 0.67 -0.36 -0.91 0.00 0.00 0.00 179.25 178.53 1hr6 h ASN 431 N 0.88 0.00 0.04 0.00 2.35 -0.71 0.44 115.58 118.58 1hr6 h ASN 431 Ca 0.12 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1hr6 h ASN 431 Cb 0.75 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.12 1hr6 h ASN 431 CO 0.06 0.36 -0.22 0.22 -1.65 0.00 0.00 177.43 176.21 1hr6 h TYR 432 N 0.00 0.15 0.00 1.19 3.20 -0.95 -3.30 116.97 117.25 1hr6 h TYR 432 Ca -0.00 -0.11 -0.15 0.00 3.14 0.00 0.00 58.73 61.61 1hr6 h TYR 432 Cb 0.66 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1hr6 h TYR 432 CO 0.00 1.08 -0.82 0.00 -1.64 0.00 0.00 178.16 176.78 1hr6 h ARG 433 N -0.83 0.00 -0.21 1.82 2.47 -1.02 -3.37 114.38 113.24 1hr6 h ARG 433 Ca -0.04 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 1hr6 h ARG 433 Cb 1.17 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.45 1hr6 h ARG 433 CO 0.04 0.59 -0.07 1.28 0.56 0.00 0.00 179.97 182.37 1hr6 n LEU 434 N -3.20 3.53 -3.88 3.04 4.77 0.15 -4.74 117.00 116.68 1hr6 n LEU 434 Ca -0.01 -3.38 -0.22 0.00 -0.03 0.00 0.00 56.01 52.37 1hr6 n LEU 434 Cb 0.82 -0.55 -0.17 0.00 -2.33 0.00 0.00 43.42 41.19 1hr6 n LEU 434 CO 0.43 0.95 -0.41 -1.58 -1.33 0.00 0.00 177.39 175.44 1hr6 s GLN 435 N -3.02 0.98 -1.39 3.23 2.00 -1.24 -4.69 119.66 115.52 1hr6 s GLN 435 Ca 0.40 -0.10 -0.00 0.00 -2.00 0.00 0.00 55.36 53.66 1hr6 s GLN 435 Cb 0.35 -1.06 0.00 0.00 0.80 0.00 0.00 33.01 33.11 1hr6 s GLN 435 CO 0.03 -0.16 0.48 0.09 -0.50 0.00 0.00 175.29 175.23 1hr6 n ASN 436 N 4.47 -0.53 -4.20 6.67 3.02 -1.26 -4.87 115.26 118.55 1hr6 n ASN 436 Ca -0.18 -0.97 -0.19 0.00 -0.03 0.00 0.00 54.58 53.22 1hr6 n ASN 436 Cb 0.51 -3.26 -0.12 0.00 -0.61 0.00 0.00 39.78 36.30 1hr6 n ASN 436 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hr6 s LYS 437 N -6.44 0.91 0.51 3.52 -0.14 -1.26 -5.12 119.74 111.71 1hr6 s LYS 437 Ca 0.02 -1.05 -0.21 0.00 -1.36 0.00 0.00 55.97 53.37 1hr6 s LYS 437 Cb -0.01 -0.92 -0.07 0.00 -1.68 0.00 0.00 37.83 35.15 1hr6 s LYS 437 CO 0.87 0.20 1.13 -1.25 -0.76 0.00 0.00 175.35 175.54 1hr6 s PRO 438 N -1.99 3.54 0.02 -1.68 0.04 -1.26 -5.01 135.00 128.66 1hr6 s PRO 438 Ca 0.02 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.72 1hr6 s PRO 438 Cb -0.09 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1hr6 s PRO 438 CO 0.03 -0.70 -0.10 0.14 0.04 0.00 0.00 177.00 176.41 1hr6 s VAL 439 N -1.73 0.80 0.15 -0.36 -7.23 -1.26 -4.18 120.40 106.59 1hr6 s VAL 439 Ca 0.69 -0.76 0.11 0.00 -1.81 0.00 0.00 61.98 60.21 1hr6 s VAL 439 Cb -0.24 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1hr6 s VAL 439 CO 0.28 -0.01 -0.25 -0.94 -0.31 0.00 0.00 175.10 173.88 1hr6 s SER 440 N -0.86 3.20 -0.03 4.85 1.04 -0.39 -3.32 113.70 118.20 1hr6 s SER 440 Ca -0.00 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 55.54 1hr6 s SER 440 Cb -0.06 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.86 1hr6 s SER 440 CO 0.00 0.13 0.23 -0.32 0.98 0.00 0.00 173.24 174.27 1hr6 s MET 441 N -2.25 0.50 -0.03 4.02 1.75 0.45 -1.47 119.30 122.28 1hr6 s MET 441 Ca 0.15 -0.14 0.02 0.00 -1.25 0.00 0.00 55.69 54.47 1hr6 s MET 441 Cb -0.09 0.22 0.00 0.00 2.84 0.00 0.00 34.83 37.80 1hr6 s MET 441 CO 0.07 -0.12 -0.09 0.08 -0.65 0.00 0.00 175.02 174.31 1hr6 s VAL 442 N -0.99 0.77 -0.04 10.11 1.01 -0.65 -1.13 120.40 129.48 1hr6 s VAL 442 Ca -0.11 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1hr6 s VAL 442 Cb -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1hr6 s VAL 442 CO 0.02 0.24 -0.05 0.00 0.00 0.00 0.00 175.10 175.32 1hr6 s ALA 443 N 0.24 0.64 -0.10 5.51 0.00 -0.60 -1.46 121.76 126.00 1hr6 s ALA 443 Ca -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1hr6 s ALA 443 Cb -0.09 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1hr6 s ALA 443 CO 0.01 0.01 -0.12 -1.17 0.00 0.00 0.00 175.76 174.48 1hr6 s LEU 444 N 0.78 1.57 0.00 0.00 2.96 0.23 0.35 118.68 124.57 1hr6 s LEU 444 Ca -0.10 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1hr6 s LEU 444 Cb -0.13 -0.95 0.00 0.00 0.50 0.00 0.00 46.19 45.61 1hr6 s LEU 444 CO 0.00 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 1hr6 n GLY 445 N 4.29 0.14 3.56 7.98 0.00 -0.55 -0.59 105.19 120.01 1hr6 n GLY 445 Ca -0.19 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1hr6 n GLY 445 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hr6 s ASN 446 N -4.00 6.44 0.13 1.61 3.84 -1.26 -1.52 114.94 120.18 1hr6 s ASN 446 Ca 0.00 -1.49 0.22 0.00 0.21 0.00 0.00 52.86 51.80 1hr6 s ASN 446 Cb 0.00 -2.57 0.89 0.00 -0.55 0.00 0.00 41.25 39.01 1hr6 s ASN 446 CO 0.00 -1.57 1.69 1.07 -2.79 0.00 0.00 177.10 175.50 1hr6 n THR 447 N 6.91 0.69 0.29 -5.21 5.66 -1.26 -3.96 114.28 117.41 1hr6 n THR 447 Ca 0.35 0.10 0.16 0.00 -3.05 0.00 0.00 64.05 61.61 1hr6 n THR 447 Cb 0.50 -0.89 0.91 0.00 -1.55 0.00 0.00 70.33 69.30 1hr6 n THR 447 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1hr6 h SER 448 N 0.00 0.00 -0.01 1.09 4.64 -1.99 -2.72 113.55 114.55 1hr6 h SER 448 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hr6 h SER 448 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1hr6 h SER 448 CO 0.00 0.03 -0.63 1.07 -0.87 0.00 0.00 176.83 176.43 1hr6 n THR 449 N -3.66 0.00 -2.59 2.95 5.66 -1.25 -4.97 114.28 110.42 1hr6 n THR 449 Ca -0.03 -0.18 -0.43 0.00 -3.05 0.00 0.00 64.05 60.36 1hr6 n THR 449 Cb 0.13 1.17 -0.02 0.00 -1.55 0.00 0.00 70.33 70.06 1hr6 n THR 449 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1hr6 s VAL 450 N -2.61 4.57 0.68 1.08 1.01 -1.03 -2.52 120.40 121.58 1hr6 s VAL 450 Ca 0.15 1.87 -0.14 0.00 0.00 0.00 0.00 61.98 63.86 1hr6 s VAL 450 Cb 0.17 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1hr6 s VAL 450 CO 0.66 -0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.61 1hr6 s PRO 451 N 2.68 2.77 0.84 2.72 0.04 -1.26 -4.98 135.00 137.81 1hr6 s PRO 451 Ca 0.49 1.26 -0.10 0.00 0.04 0.00 0.00 61.00 62.69 1hr6 s PRO 451 Cb -0.19 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.49 1hr6 s PRO 451 CO 0.14 -1.25 1.12 1.21 0.04 0.00 0.00 177.00 178.26 1hr6 s ASN 452 N -2.95 3.75 0.16 6.66 3.84 -1.26 -4.89 114.94 120.25 1hr6 s ASN 452 Ca 0.64 1.98 -0.09 0.00 0.21 0.00 0.00 52.86 55.60 1hr6 s ASN 452 Cb -0.18 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.00 1hr6 s ASN 452 CO 0.46 -2.54 1.50 0.58 -2.79 0.00 0.00 177.10 174.30 1hr6 h VAL 453 N -1.48 1.28 0.00 -5.21 2.07 -1.95 -2.07 116.25 108.89 1hr6 h VAL 453 Ca -0.44 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 65.44 1hr6 h VAL 453 Cb 1.25 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1hr6 h VAL 453 CO 0.47 0.52 -0.31 0.77 0.02 0.00 0.00 177.57 179.04 1hr6 h SER 454 N 0.69 0.00 -0.06 0.57 4.64 -1.94 -1.58 113.55 115.87 1hr6 h SER 454 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1hr6 h SER 454 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1hr6 h SER 454 CO 0.09 0.31 0.02 0.22 -0.87 0.00 0.00 176.83 176.60 1hr6 h TYR 455 N 0.00 0.10 -0.27 4.77 5.03 -1.85 -0.35 116.97 124.39 1hr6 h TYR 455 Ca -0.00 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.32 1hr6 h TYR 455 Cb 0.78 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.01 1hr6 h TYR 455 CO 0.00 0.28 0.12 0.82 -1.32 0.00 0.00 178.16 178.06 1hr6 h ILE 456 N -0.11 0.96 -0.66 1.81 2.04 -0.99 -1.79 117.51 118.77 1hr6 h ILE 456 Ca 0.02 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1hr6 h ILE 456 Cb 0.23 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1hr6 h ILE 456 CO -0.00 0.05 0.34 -0.33 0.00 0.00 0.00 178.15 178.21 1hr6 h GLU 457 N 0.25 0.94 0.10 2.37 5.08 -1.23 0.08 114.58 122.17 1hr6 h GLU 457 Ca 0.12 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1hr6 h GLU 457 Cb 0.06 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1hr6 h GLU 457 CO -0.10 0.73 -0.18 1.49 -1.00 0.00 0.00 179.01 179.94 1hr6 h GLU 458 N 0.91 -0.34 -0.71 2.33 4.81 -0.63 -0.25 114.58 120.70 1hr6 h GLU 458 Ca 0.23 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1hr6 h GLU 458 Cb 0.08 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1hr6 h GLU 458 CO -0.03 -0.23 0.24 0.87 -0.73 0.00 0.00 179.01 179.13 1hr6 h LYS 459 N -0.35 1.09 -0.03 1.92 1.79 -1.12 -1.23 116.57 118.63 1hr6 h LYS 459 Ca 0.03 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1hr6 h LYS 459 Cb 0.37 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1hr6 h LYS 459 CO -0.11 0.92 -0.00 1.25 -1.08 0.00 0.00 179.45 180.43 1hr6 h LEU 460 N 1.05 0.06 -0.33 2.94 5.85 -0.69 -3.17 115.31 121.02 1hr6 h LEU 460 Ca 0.23 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1hr6 h LEU 460 Cb 0.27 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1hr6 h LEU 460 CO -0.01 0.36 -0.11 0.78 -0.34 0.00 0.00 178.44 179.12 1hr6 h ASN 461 N -0.25 0.00 0.00 1.25 2.35 -1.07 -3.47 115.58 114.39 1hr6 h ASN 461 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1hr6 h ASN 461 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1hr6 h ASN 461 CO 0.00 0.11 0.00 1.67 -1.65 0.00 0.00 177.43 177.56