#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr6 n GLY 25 N 0.00 0.28 3.42 -1.23 0.00 -1.26 -5.01 105.19 101.39 1hr6 n GLY 25 Ca 0.00 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.36 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 0.00 4.41 0.16 2.61 2.01 -1.26 -4.53 115.64 119.05 1hr6 s THR 26 Ca 0.00 -0.46 -0.28 0.00 0.31 0.00 0.00 61.69 61.26 1hr6 s THR 26 Cb 0.00 -3.24 -0.08 0.00 0.01 0.00 0.00 72.50 69.20 1hr6 s THR 26 CO 0.00 0.10 0.86 -0.13 -0.69 0.00 0.00 174.62 174.76 1hr6 s ARG 27 N 1.59 4.68 0.01 4.92 1.81 -0.01 -4.84 118.95 127.10 1hr6 s ARG 27 Ca 0.04 1.31 0.05 0.00 -1.72 0.00 0.00 55.73 55.41 1hr6 s ARG 27 Cb -0.17 -3.31 -0.01 0.00 -0.45 0.00 0.00 34.95 31.01 1hr6 s ARG 27 CO 0.05 0.44 -0.15 0.99 -0.68 0.00 0.00 175.30 175.95 1hr6 s THR 28 N -0.77 1.17 -0.02 0.02 2.01 -1.26 -1.09 115.64 115.70 1hr6 s THR 28 Ca 0.40 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 1hr6 s THR 28 Cb -0.24 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.28 1hr6 s THR 28 CO 0.28 0.23 0.17 -0.44 -0.69 0.00 0.00 174.62 174.18 1hr6 s SER 29 N -0.61 -0.05 0.00 3.53 0.01 -0.48 -4.99 113.70 111.11 1hr6 s SER 29 Ca 0.05 -0.04 0.07 0.00 1.31 0.00 0.00 55.95 57.34 1hr6 s SER 29 Cb -0.06 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.40 1hr6 s SER 29 CO 0.00 -0.31 -0.19 -0.54 0.41 0.00 0.00 173.24 172.60 1hr6 s LYS 30 N -1.04 2.17 0.35 12.44 1.02 -1.26 0.78 119.74 134.19 1hr6 s LYS 30 Ca -0.11 -0.90 -0.02 0.00 0.02 0.00 0.00 55.97 54.95 1hr6 s LYS 30 Cb -0.06 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1hr6 s LYS 30 CO 0.02 0.56 0.59 -1.17 -0.92 0.00 0.00 175.35 174.43 1hr6 s LEU 31 N -1.05 3.96 0.27 3.17 2.96 0.12 -4.98 118.68 123.13 1hr6 s LEU 31 Ca 0.12 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1hr6 s LEU 31 Cb -0.10 -3.46 0.55 0.00 0.50 0.00 0.00 46.19 43.68 1hr6 s LEU 31 CO 0.02 -0.31 1.79 1.55 -1.32 0.00 0.00 176.35 178.08 1hr6 h PRO 32 N 0.92 0.72 0.00 0.98 0.13 -1.98 0.30 132.00 133.08 1hr6 h PRO 32 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1hr6 h PRO 32 Cb 1.21 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1hr6 h PRO 32 CO 0.63 0.48 0.00 0.27 -0.23 0.00 0.00 178.00 179.14 1hr6 n ASN 33 N -4.79 0.00 0.00 1.44 0.23 -1.26 -4.85 115.26 106.03 1hr6 n ASN 33 Ca 0.18 -0.63 0.00 0.00 -0.53 0.00 0.00 54.58 53.60 1hr6 n ASN 33 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 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 0.16 3.17 3.69 4.83 0.00 0.10 -2.91 105.19 114.23 1hr6 n GLY 34 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 3.71 -4.82 0.99 7.94 -0.19 -3.92 117.00 120.71 1hr6 n LEU 35 Ca 0.00 1.04 -0.38 0.00 -1.11 0.00 0.00 56.01 55.56 1hr6 n LEU 35 Cb 0.00 -1.51 -0.06 0.00 0.53 0.00 0.00 43.42 42.38 1hr6 n LEU 35 CO 0.00 0.02 0.06 -0.89 -1.11 0.00 0.00 177.39 175.48 1hr6 s THR 36 N 1.75 5.13 -0.26 1.96 2.01 -0.99 0.11 115.64 125.34 1hr6 s THR 36 Ca 0.79 0.74 -0.02 0.00 0.31 0.00 0.00 61.69 63.52 1hr6 s THR 36 Cb -0.56 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.30 1hr6 s THR 36 CO 0.37 0.54 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.16 1hr6 s ILE 37 N -0.76 2.94 -0.06 1.82 -1.09 0.23 -0.83 121.20 123.45 1hr6 s ILE 37 Ca 0.22 -1.07 0.05 0.00 -2.23 0.00 0.00 60.65 57.61 1hr6 s ILE 37 Cb -0.16 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 1hr6 s ILE 37 CO 0.11 0.14 -0.20 0.00 -1.23 0.00 0.00 174.94 173.76 1hr6 s ALA 38 N 1.32 2.39 -0.01 9.38 0.00 -0.65 -1.38 121.76 132.82 1hr6 s ALA 38 Ca -0.01 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 1hr6 s ALA 38 Cb -0.17 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1hr6 s ALA 38 CO -0.04 0.44 0.16 0.99 0.00 0.00 0.00 175.76 177.32 1hr6 s THR 39 N -0.30 0.07 -0.12 0.00 2.01 -0.25 -1.49 115.64 115.56 1hr6 s THR 39 Ca 0.01 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 1hr6 s THR 39 Cb -0.13 -0.44 0.05 0.00 0.01 0.00 0.00 72.50 72.00 1hr6 s THR 39 CO 0.03 -0.33 0.08 -0.70 -0.69 0.00 0.00 174.62 173.00 1hr6 s GLU 40 N -1.25 0.03 0.24 4.92 2.12 -0.88 -0.83 118.70 123.05 1hr6 s GLU 40 Ca -0.13 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 1hr6 s GLU 40 Cb -0.07 -1.36 -0.09 0.00 0.26 0.00 0.00 34.13 32.87 1hr6 s GLU 40 CO 0.02 -0.55 1.06 -0.47 -0.54 0.00 0.00 175.26 174.78 1hr6 s TYR 41 N 2.14 3.67 -0.25 5.30 5.04 -1.26 -2.40 117.35 129.60 1hr6 s TYR 41 Ca 0.03 1.72 0.01 0.00 -2.44 0.00 0.00 57.07 56.39 1hr6 s TYR 41 Cb -0.15 -3.21 0.04 0.00 0.35 0.00 0.00 41.96 38.99 1hr6 s TYR 41 CO -0.07 -0.34 -0.10 0.42 -1.34 0.00 0.00 175.55 174.12 1hr6 s ILE 42 N -0.89 2.40 0.71 3.14 -1.09 -0.43 -4.80 121.20 120.24 1hr6 s ILE 42 Ca 0.45 -1.33 -0.16 0.00 -2.23 0.00 0.00 60.65 57.38 1hr6 s ILE 42 Cb -0.30 -2.29 0.03 0.00 -1.58 0.00 0.00 42.46 38.32 1hr6 s ILE 42 CO 0.37 0.13 1.23 -2.84 -1.23 0.00 0.00 174.94 172.60 1hr6 s PRO 43 N 1.21 2.22 -1.21 2.79 0.02 -1.26 -3.80 135.00 134.97 1hr6 s PRO 43 Ca -0.04 1.84 -0.00 0.00 0.02 0.00 0.00 61.00 62.82 1hr6 s PRO 43 Cb -0.18 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 1hr6 s PRO 43 CO -0.06 -1.79 0.96 0.09 -0.33 0.00 0.00 177.00 175.87 1hr6 n ASN 44 N -2.53 -2.11 -4.00 2.53 5.03 -1.26 -5.02 115.26 107.90 1hr6 n ASN 44 Ca 0.14 -0.65 -0.08 0.00 0.87 0.00 0.00 54.58 54.86 1hr6 n ASN 44 Cb 0.50 -5.00 -0.10 0.00 -1.02 0.00 0.00 39.78 34.15 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 -3.40 0.16 -0.03 3.41 -4.23 -1.25 -5.04 115.64 105.26 1hr6 s THR 45 Ca 0.02 -1.34 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1hr6 s THR 45 Cb -0.00 -1.02 0.07 0.00 1.34 0.00 0.00 72.50 72.90 1hr6 s THR 45 CO 0.74 -0.74 0.92 -1.20 -0.54 0.00 0.00 174.62 173.80 1hr6 n SER 46 N 0.66 1.18 -3.88 3.99 7.64 -1.26 -4.56 113.62 117.39 1hr6 n SER 46 Ca -0.18 -2.04 -0.15 0.00 1.01 0.00 0.00 58.87 57.51 1hr6 n SER 46 Cb 0.59 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 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 -1.25 0.83 0.26 6.43 1.04 -1.26 -0.85 113.70 118.90 1hr6 s SER 47 Ca 0.08 -1.54 -0.20 0.00 0.48 0.00 0.00 55.95 54.78 1hr6 s SER 47 Cb 0.07 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.70 1hr6 s SER 47 CO 0.01 -0.92 0.94 0.00 0.98 0.00 0.00 173.24 174.25 1hr6 s ALA 48 N -3.85 -1.26 -0.03 5.32 0.00 -0.59 -0.90 121.76 120.44 1hr6 s ALA 48 Ca 0.39 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.89 1hr6 s ALA 48 Cb 0.05 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1hr6 s ALA 48 CO 0.18 -1.03 -0.09 0.99 0.00 0.00 0.00 175.76 175.80 1hr6 s THR 49 N -2.24 0.80 -0.04 0.00 2.01 -0.75 -2.10 115.64 113.32 1hr6 s THR 49 Ca 0.19 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.85 1hr6 s THR 49 Cb -0.04 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.77 1hr6 s THR 49 CO 0.08 0.25 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.46 1hr6 s VAL 50 N 0.20 1.00 0.02 3.82 1.01 -0.42 -1.89 120.40 124.13 1hr6 s VAL 50 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1hr6 s VAL 50 Cb -0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1hr6 s VAL 50 CO 0.01 0.31 -0.03 -0.83 0.00 0.00 0.00 175.10 174.56 1hr6 s GLY 51 N 0.39 0.22 -0.24 4.51 0.00 0.82 -0.34 107.32 112.68 1hr6 s GLY 51 Ca -0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.13 1hr6 s GLY 51 CO 0.02 -0.50 0.02 -1.50 0.00 0.00 0.00 173.10 171.14 1hr6 s ILE 52 N -1.02 3.87 -0.14 0.90 1.10 0.24 -0.10 121.20 126.05 1hr6 s ILE 52 Ca -0.10 -0.35 -0.02 0.00 -0.51 0.00 0.00 60.65 59.67 1hr6 s ILE 52 Cb -0.07 -2.81 -0.02 0.00 0.15 0.00 0.00 42.46 39.71 1hr6 s ILE 52 CO -0.01 0.36 -0.07 -0.36 -2.11 0.00 0.00 174.94 172.75 1hr6 s PHE 53 N 1.55 2.94 -0.07 3.50 0.40 0.30 -1.71 117.98 124.88 1hr6 s PHE 53 Ca 0.06 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1hr6 s PHE 53 Cb -0.15 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.49 1hr6 s PHE 53 CO 0.00 -0.07 -0.19 0.08 0.70 0.00 0.00 175.22 175.75 1hr6 s VAL 54 N 0.25 1.62 -0.50 -0.44 1.01 0.10 -0.39 120.40 122.06 1hr6 s VAL 54 Ca -0.05 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 1hr6 s VAL 54 Cb -0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1hr6 s VAL 54 CO 0.04 0.46 1.73 -0.62 0.00 0.00 0.00 175.10 176.72 1hr6 s ASP 55 N 0.34 5.69 0.00 3.32 -1.08 0.11 -1.58 116.67 123.46 1hr6 s ASP 55 Ca -0.13 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1hr6 s ASP 55 Cb -0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1hr6 s ASP 55 CO 0.05 -1.99 0.00 0.00 0.52 0.00 0.00 175.17 173.76 1hr6 n ALA 56 N 11.16 0.00 -0.07 3.66 0.00 -0.58 -4.94 120.51 129.73 1hr6 n ALA 56 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1hr6 n ALA 56 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.23 0.29 0.00 0.00 -1.23 -3.23 105.19 101.25 1hr6 n GLY 57 Ca 0.00 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.00 0.48 1.61 4.64 -1.42 -2.36 113.55 116.50 1hr6 h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hr6 h SER 58 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1hr6 h SER 58 CO 0.00 0.06 0.00 -2.11 -0.87 0.00 0.00 176.83 173.91 1hr6 n ARG 59 N -3.40 0.04 0.00 4.77 1.85 -0.17 -1.82 116.66 117.93 1hr6 n ARG 59 Ca -0.02 0.22 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 1hr6 n ARG 59 Cb 0.20 -1.50 0.35 0.00 -1.05 0.00 0.00 32.46 30.46 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 -1.46 3.00 -1.97 2.89 0.00 -0.89 -4.82 120.51 117.26 1hr6 n ALA 60 Ca 0.04 -0.46 -0.22 0.00 0.00 0.00 0.00 53.44 52.80 1hr6 n ALA 60 Cb 0.17 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.36 2.21 0.46 0.00 2.02 -0.75 -5.09 118.70 115.18 1hr6 s GLU 61 Ca 0.27 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.46 1hr6 s GLU 61 Cb 0.20 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 1hr6 s GLU 61 CO 0.47 -1.03 0.08 0.54 0.02 0.00 0.00 175.26 175.34 1hr6 s ASN 62 N -4.54 3.40 0.30 -0.19 2.20 -1.26 -4.86 114.94 109.99 1hr6 s ASN 62 Ca 0.61 -1.68 0.06 0.00 -0.94 0.00 0.00 52.86 50.90 1hr6 s ASN 62 Cb -0.09 0.54 0.74 0.00 -2.00 0.00 0.00 41.25 40.45 1hr6 s ASN 62 CO 0.41 -0.92 1.77 0.58 -2.94 0.00 0.00 177.10 176.01 1hr6 h VAL 63 N 1.58 0.69 0.00 3.54 2.07 -1.99 0.74 116.25 122.88 1hr6 h VAL 63 Ca -0.39 -0.26 -0.20 0.00 0.82 0.00 0.00 66.70 66.67 1hr6 h VAL 63 Cb 1.29 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1hr6 h VAL 63 CO 0.64 0.14 -1.26 0.11 0.02 0.00 0.00 177.57 177.22 1hr6 h LYS 64 N 0.75 0.00 -0.14 1.57 1.79 -2.04 -3.33 116.57 115.17 1hr6 h LYS 64 Ca 0.58 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.85 1hr6 h LYS 64 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1hr6 h LYS 64 CO -0.39 0.53 -0.72 -0.97 -1.08 0.00 0.00 179.45 176.82 1hr6 h ASN 65 N 0.00 0.73 -0.22 0.86 -1.24 -1.67 -3.48 115.58 110.57 1hr6 h ASN 65 Ca -0.14 -0.46 -0.46 0.00 0.71 0.00 0.00 56.30 55.95 1hr6 h ASN 65 Cb 1.71 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.54 1hr6 h ASN 65 CO 0.08 1.23 0.61 -3.20 -1.29 0.00 0.00 177.43 174.86 1hr6 n ASN 66 N -3.90 0.52 0.00 1.15 4.05 0.25 -2.34 115.26 114.99 1hr6 n ASN 66 Ca -0.06 0.49 0.00 0.00 0.45 0.00 0.00 54.58 55.47 1hr6 n ASN 66 Cb 0.71 -0.50 0.00 0.00 1.23 0.00 0.00 39.78 41.21 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 3.48 0.84 0.10 8.20 0.00 -1.26 -4.44 105.19 112.12 1hr6 n GLY 67 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 1.21 -0.80 2.61 2.02 -1.76 -2.48 112.91 113.71 1hr6 h THR 68 Ca 0.00 -0.66 0.10 0.00 0.77 0.00 0.00 66.41 66.62 1hr6 h THR 68 Cb 0.00 1.39 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 1hr6 h THR 68 CO 0.00 0.20 0.44 0.00 0.37 0.00 0.00 175.52 176.53 1hr6 h ALA 69 N 0.82 1.14 -0.49 6.16 0.00 -1.88 0.19 119.26 125.21 1hr6 h ALA 69 Ca 0.04 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1hr6 h ALA 69 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1hr6 h ALA 69 CO 0.00 0.05 -0.04 1.25 0.00 0.00 0.00 179.25 180.52 1hr6 h HIS 70 N 0.74 0.97 -0.61 0.00 6.17 -1.76 -2.39 115.15 118.27 1hr6 h HIS 70 Ca 0.39 -0.18 0.06 0.00 0.71 0.00 0.00 60.37 61.35 1hr6 h HIS 70 Cb 0.38 -0.25 -0.06 0.00 2.52 0.00 0.00 27.41 30.01 1hr6 h HIS 70 CO -0.07 0.93 0.30 0.35 0.71 0.00 0.00 177.93 180.15 1hr6 h PHE 71 N 0.74 0.55 -0.79 5.26 3.04 -0.72 -1.32 116.94 123.70 1hr6 h PHE 71 Ca 0.13 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.15 1hr6 h PHE 71 Cb 0.57 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.86 1hr6 h PHE 71 CO 0.04 0.24 0.50 -0.07 -2.02 0.00 0.00 178.31 177.00 1hr6 h LEU 72 N 0.56 0.80 -0.41 0.59 3.38 -0.84 -2.23 115.31 117.17 1hr6 h LEU 72 Ca 0.28 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1hr6 h LEU 72 Cb 0.22 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 1hr6 h LEU 72 CO -0.20 0.54 -0.13 -0.08 0.09 0.00 0.00 178.44 178.65 1hr6 h GLU 73 N 0.94 -0.04 -0.59 1.13 4.81 -0.74 -0.25 114.58 119.85 1hr6 h GLU 73 Ca 0.33 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1hr6 h GLU 73 Cb 0.07 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1hr6 h GLU 73 CO -0.13 -0.03 0.28 0.45 -0.73 0.00 0.00 179.01 178.85 1hr6 h HIS 74 N -0.04 0.86 0.00 0.92 3.86 -1.04 -3.01 115.15 116.69 1hr6 h HIS 74 Ca 0.20 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1hr6 h HIS 74 Cb 0.34 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1hr6 h HIS 74 CO -0.39 0.66 0.00 -0.07 0.86 0.00 0.00 177.93 178.99 1hr6 h LEU 75 N 0.81 0.00 -2.77 2.43 4.07 -0.72 -3.19 115.31 115.94 1hr6 h LEU 75 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1hr6 h LEU 75 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1hr6 h LEU 75 CO -0.03 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.33 1hr6 h ALA 76 N 2.15 1.00 -0.23 1.53 0.00 -0.94 -0.26 119.26 122.51 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 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1hr6 h ALA 76 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1hr6 n PHE 77 N -3.04 0.28 0.62 0.00 3.01 -1.20 -4.45 117.46 112.67 1hr6 n PHE 77 Ca -0.03 -0.16 0.12 0.00 1.01 0.00 0.00 57.45 58.39 1hr6 n PHE 77 Cb 0.09 -0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.76 1hr6 n PHE 77 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1hr6 n LYS 78 N 1.23 0.26 0.00 -1.08 4.76 -0.11 -4.65 118.16 118.58 1hr6 n LYS 78 Ca 0.15 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1hr6 n LYS 78 Cb 0.54 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1hr6 n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hr6 n GLY 79 N 1.35 4.66 3.63 0.72 0.00 -1.26 -3.30 105.19 111.00 1hr6 n GLY 79 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.43 1.05 -1.83 2.61 -4.23 0.18 -0.91 115.64 111.09 1hr6 s THR 80 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1hr6 s THR 80 Cb 0.00 -2.37 0.38 0.00 1.34 0.00 0.00 72.50 71.85 1hr6 s THR 80 CO 0.00 0.00 1.35 0.00 -0.54 0.00 0.00 174.62 175.43 1hr6 n GLN 81 N -1.06 0.40 0.00 3.99 6.02 0.41 -2.97 117.38 124.16 1hr6 n GLN 81 Ca -0.12 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1hr6 n GLN 81 Cb 0.66 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.42 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 -1.08 3.97 -3.79 1.08 3.02 -1.26 -5.05 115.26 112.14 1hr6 n ASN 82 Ca 0.10 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.47 1hr6 n ASN 82 Cb 0.07 0.55 -0.17 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.71 0.25 0.99 3.52 0.52 -1.16 -5.10 118.95 116.26 1hr6 s ARG 83 Ca 0.00 0.13 -0.14 0.00 -0.52 0.00 0.00 55.73 55.20 1hr6 s ARG 83 Cb 0.00 -0.52 0.18 0.00 0.52 0.00 0.00 34.95 35.14 1hr6 s ARG 83 CO 0.00 -0.18 1.13 -1.25 0.02 0.00 0.00 175.30 175.02 1hr6 s PRO 84 N 1.29 0.50 0.09 3.54 0.04 -1.26 0.52 135.00 139.71 1hr6 s PRO 84 Ca -0.06 0.24 -0.34 0.00 0.04 0.00 0.00 61.00 60.88 1hr6 s PRO 84 Cb -0.13 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 1hr6 s PRO 84 CO -0.02 -2.62 1.53 0.37 0.04 0.00 0.00 177.00 176.29 1hr6 h GLN 85 N -1.81 -0.79 0.00 4.56 4.15 -1.81 -0.87 115.11 118.54 1hr6 h GLN 85 Ca -0.51 0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1hr6 h GLN 85 Cb 1.32 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.19 1hr6 h GLN 85 CO 0.55 -0.53 0.00 0.37 -1.93 0.00 0.00 178.83 177.29 1hr6 h GLN 86 N -0.82 0.00 0.11 1.69 4.15 -1.89 -1.12 115.11 117.23 1hr6 h GLN 86 Ca -0.03 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.12 1hr6 h GLN 86 Cb 0.77 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.47 1hr6 h GLN 86 CO -0.19 0.00 -1.20 0.78 -1.93 0.00 0.00 178.83 176.29 1hr6 h GLY 87 N 0.27 0.39 0.56 2.39 0.00 -1.51 -2.19 103.07 102.98 1hr6 h GLY 87 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.42 1hr6 h GLY 87 CO 0.00 0.80 -0.03 -2.22 0.00 0.00 0.00 176.54 175.09 1hr6 h ILE 88 N 0.12 1.21 0.26 2.60 2.04 -0.76 -2.22 117.51 120.76 1hr6 h ILE 88 Ca -0.14 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 1hr6 h ILE 88 Cb 1.90 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 1hr6 h ILE 88 CO 0.20 0.24 -0.36 -0.33 0.00 0.00 0.00 178.15 177.91 1hr6 h GLU 89 N -0.52 -0.62 -0.63 2.37 5.08 -1.52 -1.68 114.58 117.05 1hr6 h GLU 89 Ca -0.01 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1hr6 h GLU 89 Cb 0.46 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1hr6 h GLU 89 CO 0.01 -0.41 0.42 1.25 -1.00 0.00 0.00 179.01 179.28 1hr6 h LEU 90 N -0.64 0.41 -0.35 1.33 7.12 -1.51 -1.28 115.31 120.39 1hr6 h LEU 90 Ca -0.03 0.01 -0.12 0.00 0.13 0.00 0.00 57.88 57.87 1hr6 h LEU 90 Cb 0.58 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 1hr6 h LEU 90 CO -0.10 0.25 -0.26 -0.08 -0.13 0.00 0.00 178.44 178.12 1hr6 h GLU 91 N 0.46 0.80 -0.31 1.25 4.81 -1.02 -2.24 114.58 118.32 1hr6 h GLU 91 Ca 0.29 -0.39 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1hr6 h GLU 91 Cb 0.54 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1hr6 h GLU 91 CO -0.09 1.02 -0.12 0.82 -0.73 0.00 0.00 179.01 179.91 1hr6 h ILE 92 N 0.58 1.29 0.00 2.32 1.08 -0.70 -3.22 117.51 118.85 1hr6 h ILE 92 Ca 0.07 -1.19 -0.07 0.00 -0.39 0.00 0.00 64.86 63.27 1hr6 h ILE 92 Cb 0.83 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1hr6 h ILE 92 CO 0.07 0.38 -0.34 -0.33 -0.69 0.00 0.00 178.15 177.24 1hr6 h GLU 93 N 0.40 0.00 -0.00 2.37 5.08 -1.27 0.06 114.58 121.22 1hr6 h GLU 93 Ca 0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1hr6 h GLU 93 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1hr6 h GLU 93 CO 0.04 0.34 -0.58 -0.91 -1.00 0.00 0.00 179.01 176.90 1hr6 h ASN 94 N 0.00 0.01 -0.39 1.42 2.35 -1.41 -2.99 115.58 114.57 1hr6 h ASN 94 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1hr6 h ASN 94 Cb 0.63 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1hr6 h ASN 94 CO 0.04 0.58 0.00 2.30 -1.65 0.00 0.00 177.43 178.71 1hr6 n ILE 95 N -3.86 0.50 -2.44 2.81 -5.35 -1.17 -4.97 119.36 104.89 1hr6 n ILE 95 Ca -0.01 -0.74 -0.10 0.00 -0.27 0.00 0.00 62.75 61.62 1hr6 n ILE 95 Cb 0.58 0.99 0.01 0.00 -1.74 0.00 0.00 39.64 39.48 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 1.51 0.08 3.69 3.28 0.00 -0.95 -4.66 105.19 108.15 1hr6 n GLY 96 Ca 0.19 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 1hr6 n GLY 96 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hr6 n SER 97 N -0.02 1.82 -3.88 1.61 7.64 -0.03 -4.68 113.62 116.08 1hr6 n SER 97 Ca -0.07 -2.36 -0.12 0.00 1.01 0.00 0.00 58.87 57.33 1hr6 n SER 97 Cb 0.57 -0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 63.18 1hr6 n SER 97 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1hr6 s HIS 98 N -2.53 0.03 -0.11 1.43 3.76 0.70 -4.56 115.29 114.01 1hr6 s HIS 98 Ca 0.59 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 55.46 1hr6 s HIS 98 Cb -0.04 -0.03 0.01 0.00 1.11 0.00 0.00 32.58 33.63 1hr6 s HIS 98 CO 0.38 -0.04 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.89 1hr6 s LEU 99 N -0.24 1.84 0.13 0.89 2.96 -1.26 -1.19 118.68 121.81 1hr6 s LEU 99 Ca -0.03 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 1hr6 s LEU 99 Cb -0.02 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 1hr6 s LEU 99 CO -0.00 0.05 0.19 0.20 -1.32 0.00 0.00 176.35 175.46 1hr6 s ASN 100 N 0.85 0.15 0.11 3.68 0.01 -0.33 -5.01 114.94 114.39 1hr6 s ASN 100 Ca -0.09 -0.91 -0.21 0.00 -0.71 0.00 0.00 52.86 50.94 1hr6 s ASN 100 Cb -0.15 0.37 0.05 0.00 0.41 0.00 0.00 41.25 41.92 1hr6 s ASN 100 CO 0.00 -0.80 0.51 0.00 -1.51 0.00 0.00 177.10 175.30 1hr6 s ALA 101 N -3.96 -1.30 0.15 0.60 0.00 -1.26 -0.37 121.76 115.62 1hr6 s ALA 101 Ca 0.15 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 1hr6 s ALA 101 Cb 0.05 0.64 0.07 0.00 0.00 0.00 0.00 23.12 23.87 1hr6 s ALA 101 CO -0.03 -0.63 0.58 1.52 0.00 0.00 0.00 175.76 177.20 1hr6 s TYR 102 N -3.27 -0.50 -0.09 0.00 -0.85 -0.64 -5.02 117.35 106.98 1hr6 s TYR 102 Ca -0.01 0.29 0.02 0.00 -0.52 0.00 0.00 57.07 56.85 1hr6 s TYR 102 Cb 0.00 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.88 1hr6 s TYR 102 CO -0.08 -0.83 -0.15 0.99 -1.52 0.00 0.00 175.55 173.96 1hr6 s THR 103 N -3.73 1.40 0.52 -3.49 2.01 -1.26 -1.79 115.64 109.30 1hr6 s THR 103 Ca 0.01 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.44 1hr6 s THR 103 Cb -0.01 -1.28 0.02 0.00 0.01 0.00 0.00 72.50 71.24 1hr6 s THR 103 CO -0.13 0.42 0.26 -0.94 -0.69 0.00 0.00 174.62 173.54 1hr6 s SER 104 N 0.82 4.46 0.43 3.53 1.04 -0.28 -5.00 113.70 118.69 1hr6 s SER 104 Ca -0.11 -1.36 0.11 0.00 0.48 0.00 0.00 55.95 55.07 1hr6 s SER 104 Cb -0.16 0.38 0.92 0.00 0.10 0.00 0.00 66.02 67.27 1hr6 s SER 104 CO 0.02 -0.98 1.99 0.03 0.98 0.00 0.00 173.24 175.27 1hr6 h ARG 105 N 0.99 0.18 0.02 4.02 3.08 -1.94 -2.97 114.38 117.75 1hr6 h ARG 105 Ca -0.40 -0.03 -0.34 0.00 0.07 0.00 0.00 59.98 59.28 1hr6 h ARG 105 Cb 1.30 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 1hr6 h ARG 105 CO 0.64 0.27 -2.07 0.39 -1.07 0.00 0.00 179.97 178.12 1hr6 n GLU 106 N -4.36 0.67 -4.25 0.04 1.02 -1.26 -1.00 120.64 111.51 1hr6 n GLU 106 Ca -0.01 0.17 -0.14 0.00 -0.02 0.00 0.00 57.16 57.16 1hr6 n GLU 106 Cb 0.21 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 29.87 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 -6.03 0.65 -0.08 1.62 -0.87 -1.24 -1.53 114.94 107.46 1hr6 s ASN 107 Ca -0.12 -1.37 0.03 0.00 -1.57 0.00 0.00 52.86 49.84 1hr6 s ASN 107 Cb 0.07 0.27 0.01 0.00 -0.02 0.00 0.00 41.25 41.58 1hr6 s ASN 107 CO 0.80 -0.78 -0.19 -0.89 -2.57 0.00 0.00 177.10 173.47 1hr6 s THR 108 N -3.96 1.63 -0.04 1.60 2.01 -0.62 -1.13 115.64 115.14 1hr6 s THR 108 Ca 0.37 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1hr6 s THR 108 Cb 0.07 -1.43 0.03 0.00 0.01 0.00 0.00 72.50 71.18 1hr6 s THR 108 CO 0.12 0.46 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.82 1hr6 s VAL 109 N 0.45 0.24 -0.03 3.82 1.01 -0.74 0.02 120.40 125.17 1hr6 s VAL 109 Ca -0.16 0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.96 1hr6 s VAL 109 Cb -0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1hr6 s VAL 109 CO 0.06 0.17 -0.20 -0.31 0.00 0.00 0.00 175.10 174.83 1hr6 s TYR 110 N 1.19 1.87 0.10 5.22 1.51 -0.69 -1.62 117.35 124.93 1hr6 s TYR 110 Ca -0.07 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.45 1hr6 s TYR 110 Cb -0.13 -1.22 0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1hr6 s TYR 110 CO -0.02 -0.09 0.26 1.52 -1.11 0.00 0.00 175.55 176.11 1hr6 s TYR 111 N -0.31 0.04 0.06 2.71 1.13 0.50 -0.59 117.35 120.88 1hr6 s TYR 111 Ca 0.03 -0.43 0.04 0.00 -1.41 0.00 0.00 57.07 55.30 1hr6 s TYR 111 Cb -0.09 0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.79 1hr6 s TYR 111 CO 0.01 -0.60 -0.11 0.00 -2.51 0.00 0.00 175.55 172.34 1hr6 s ALA 112 N -3.84 0.86 -0.11 9.51 0.00 0.53 -1.19 121.76 127.53 1hr6 s ALA 112 Ca 0.04 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1hr6 s ALA 112 Cb 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1hr6 s ALA 112 CO -0.11 0.06 -0.20 0.15 0.00 0.00 0.00 175.76 175.66 1hr6 s LYS 113 N -1.71 2.66 0.27 0.00 1.02 -0.34 -1.30 119.74 120.34 1hr6 s LYS 113 Ca -0.06 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 54.99 1hr6 s LYS 113 Cb -0.10 -2.11 0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1hr6 s LYS 113 CO 0.01 0.06 0.71 -1.54 -0.92 0.00 0.00 175.35 173.67 1hr6 s SER 114 N 0.65 -0.27 0.61 2.83 1.04 -0.89 -0.21 113.70 117.45 1hr6 s SER 114 Ca -0.13 -0.59 -0.18 0.00 0.48 0.00 0.00 55.95 55.54 1hr6 s SER 114 Cb -0.16 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1hr6 s SER 114 CO 0.03 -1.33 1.19 -0.76 0.98 0.00 0.00 173.24 173.35 1hr6 s LEU 115 N -2.91 3.62 0.50 2.42 1.02 -1.26 -1.55 118.68 120.51 1hr6 s LEU 115 Ca 0.11 2.32 0.28 0.00 0.02 0.00 0.00 54.13 56.86 1hr6 s LEU 115 Cb -0.06 -4.59 1.37 0.00 0.02 0.00 0.00 46.19 42.93 1hr6 s LEU 115 CO 0.06 -1.61 1.86 0.06 0.02 0.00 0.00 176.35 176.73 1hr6 h GLN 116 N 0.73 0.12 -0.36 1.70 3.07 -1.29 0.81 115.11 119.90 1hr6 h GLN 116 Ca -0.50 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.21 1hr6 h GLN 116 Cb 1.29 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.80 1hr6 h GLN 116 CO 0.55 0.08 0.13 0.93 0.09 0.00 0.00 178.83 180.61 1hr6 h GLU 117 N 0.13 0.51 -0.44 0.06 3.07 -1.89 -2.87 114.58 113.15 1hr6 h GLU 117 Ca 0.47 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1hr6 h GLU 117 Cb 1.65 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.46 1hr6 h GLU 117 CO -0.08 0.44 0.00 -0.25 -1.40 0.00 0.00 179.01 177.72 1hr6 n ASP 118 N -4.38 2.32 -0.11 1.42 8.00 0.28 -4.51 116.55 119.57 1hr6 n ASP 118 Ca 0.02 -2.01 -0.05 0.00 0.71 0.00 0.00 54.79 53.46 1hr6 n ASP 118 Cb 0.15 -0.29 0.02 0.00 -0.02 0.00 0.00 41.12 40.98 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 2.50 0.68 -0.02 0.53 1.08 -1.55 -0.01 117.51 120.71 1hr6 h ILE 119 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1hr6 h ILE 119 Cb 0.59 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1hr6 h ILE 119 CO 0.00 0.01 0.00 1.55 -0.69 0.00 0.00 178.15 179.03 1hr6 h PRO 120 N 0.06 0.01 -0.78 2.37 0.13 -1.85 0.13 132.00 132.08 1hr6 h PRO 120 Ca 0.19 -0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.47 1hr6 h PRO 120 Cb 0.27 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.35 1hr6 h PRO 120 CO -0.34 0.01 0.52 -0.22 -0.23 0.00 0.00 178.00 177.74 1hr6 h LYS 121 N 0.01 0.40 0.21 0.86 1.63 -1.77 0.21 116.57 118.13 1hr6 h LYS 121 Ca 0.01 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1hr6 h LYS 121 Cb 0.01 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1hr6 h LYS 121 CO -0.01 0.27 -0.10 0.00 -3.45 0.00 0.00 179.45 176.15 1hr6 h ALA 122 N 1.64 -0.28 -0.84 5.00 0.00 0.50 -1.53 119.26 123.75 1hr6 h ALA 122 Ca 0.39 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1hr6 h ALA 122 Cb 0.90 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1hr6 h ALA 122 CO -0.13 -0.53 0.51 0.28 0.00 0.00 0.00 179.25 179.38 1hr6 h VAL 123 N -0.54 1.03 0.35 0.00 2.07 0.56 -0.91 116.25 118.82 1hr6 h VAL 123 Ca -0.03 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1hr6 h VAL 123 Cb 0.40 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1hr6 h VAL 123 CO 0.05 0.17 -0.43 -0.78 0.02 0.00 0.00 177.57 176.60 1hr6 h ASP 124 N 0.93 -1.19 -0.86 0.57 3.58 -0.88 -1.27 116.42 117.32 1hr6 h ASP 124 Ca 0.37 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.94 1hr6 h ASP 124 Cb 0.18 0.41 -0.04 0.00 1.72 0.00 0.00 39.33 41.60 1hr6 h ASP 124 CO -0.18 -0.56 0.57 0.40 -2.88 0.00 0.00 179.24 176.59 1hr6 h ILE 125 N -0.82 1.21 -0.22 2.25 2.04 -0.96 0.83 117.51 121.84 1hr6 h ILE 125 Ca -0.03 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1hr6 h ILE 125 Cb 0.75 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1hr6 h ILE 125 CO -0.11 0.21 0.13 -0.07 0.00 0.00 0.00 178.15 178.31 1hr6 h LEU 126 N 1.15 0.21 -0.34 1.44 3.38 -0.94 0.30 115.31 120.51 1hr6 h LEU 126 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1hr6 h LEU 126 Cb -0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1hr6 h LEU 126 CO -0.07 0.15 0.15 0.77 0.09 0.00 0.00 178.44 179.53 1hr6 h SER 127 N 0.26 0.45 -0.66 -0.43 4.64 -0.85 -1.30 113.55 115.66 1hr6 h SER 127 Ca 0.08 -0.14 0.08 0.00 -0.47 0.00 0.00 61.79 61.34 1hr6 h SER 127 Cb -0.01 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 61.90 1hr6 h SER 127 CO -0.04 0.47 0.33 -0.78 -0.87 0.00 0.00 176.83 175.94 1hr6 h ASP 128 N 0.40 0.43 -0.16 4.97 3.58 -0.44 -0.92 116.42 124.28 1hr6 h ASP 128 Ca 0.11 0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.45 1hr6 h ASP 128 Cb 0.15 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1hr6 h ASP 128 CO -0.01 0.26 -0.52 0.40 -2.88 0.00 0.00 179.24 176.49 1hr6 h ILE 129 N 0.58 1.29 -0.10 2.25 2.04 -0.74 -0.14 117.51 122.69 1hr6 h ILE 129 Ca 0.32 -1.72 -0.24 0.00 1.00 0.00 0.00 64.86 64.21 1hr6 h ILE 129 Cb 0.30 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1hr6 h ILE 129 CO -0.24 0.55 -0.86 0.25 0.00 0.00 0.00 178.15 177.85 1hr6 h LEU 130 N 0.58 0.94 0.00 1.44 5.85 -0.92 -3.38 115.31 119.82 1hr6 h LEU 130 Ca 0.02 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1hr6 h LEU 130 Cb 1.09 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1hr6 h LEU 130 CO 0.11 1.46 -1.28 0.35 -0.34 0.00 0.00 178.44 178.74 1hr6 n THR 131 N -3.92 0.00 -2.01 1.05 -2.24 -0.38 -4.71 114.28 102.09 1hr6 n THR 131 Ca -0.09 -0.24 -0.18 0.00 -2.27 0.00 0.00 64.05 61.27 1hr6 n THR 131 Cb 0.79 0.40 0.05 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.74 3.20 -2.65 -0.78 5.02 -0.07 -5.03 118.16 116.11 1hr6 n LYS 132 Ca -0.01 -3.99 -0.41 0.00 -2.02 0.00 0.00 58.31 51.87 1hr6 n LYS 132 Cb 0.24 -2.13 -0.04 0.00 -0.02 0.00 0.00 35.03 33.08 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 -3.54 7.39 0.17 4.39 1.04 -1.22 -0.45 113.70 121.48 1hr6 s SER 133 Ca 0.48 1.86 -0.14 0.00 0.48 0.00 0.00 55.95 58.63 1hr6 s SER 133 Cb 0.40 -2.59 0.13 0.00 0.10 0.00 0.00 66.02 64.06 1hr6 s SER 133 CO 0.02 -0.17 1.77 0.58 0.98 0.00 0.00 173.24 176.42 1hr6 h VAL 134 N 4.13 0.90 -5.79 5.02 2.07 -1.28 -3.45 116.25 117.84 1hr6 h VAL 134 Ca -0.43 -0.14 -0.36 0.00 0.82 0.00 0.00 66.70 66.59 1hr6 h VAL 134 Cb 1.21 0.47 0.13 0.00 -1.52 0.00 0.00 31.29 31.59 1hr6 h VAL 134 CO 0.73 0.07 -0.77 0.18 0.02 0.00 0.00 177.57 177.80 1hr6 n LEU 135 N -4.96 -3.70 -4.75 2.57 4.77 -1.26 -4.89 117.00 104.78 1hr6 n LEU 135 Ca 0.04 -0.66 -0.41 0.00 -0.03 0.00 0.00 56.01 54.95 1hr6 n LEU 135 Cb 0.15 -3.00 -0.01 0.00 -2.33 0.00 0.00 43.42 38.23 1hr6 n LEU 135 CO 0.27 0.43 1.24 -0.62 -1.33 0.00 0.00 177.39 177.38 1hr6 s ASP 136 N -4.17 6.35 0.44 -1.43 2.15 -1.26 -4.85 116.67 113.89 1hr6 s ASP 136 Ca 0.11 2.98 0.10 0.00 0.43 0.00 0.00 52.55 56.16 1hr6 s ASP 136 Cb -0.05 -2.64 0.96 0.00 -0.30 0.00 0.00 42.92 40.89 1hr6 s ASP 136 CO 0.75 -0.92 2.07 0.78 -0.17 0.00 0.00 175.17 177.68 1hr6 h ASN 137 N 4.63 0.36 -0.11 -0.34 -0.26 -1.99 -0.31 115.58 117.56 1hr6 h ASN 137 Ca -0.47 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.24 1hr6 h ASN 137 Cb 1.22 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 38.39 1hr6 h ASN 137 CO 0.78 0.26 0.01 -1.28 -1.06 0.00 0.00 177.43 176.13 1hr6 h SER 138 N 0.42 0.19 -0.26 5.81 0.87 -2.00 -2.72 113.55 115.87 1hr6 h SER 138 Ca 0.13 -0.30 0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1hr6 h SER 138 Cb 0.01 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1hr6 h SER 138 CO -0.03 0.44 0.07 0.00 -0.53 0.00 0.00 176.83 176.78 1hr6 h ALA 139 N 0.76 0.28 -0.44 6.23 0.00 -1.76 -1.23 119.26 123.10 1hr6 h ALA 139 Ca 0.03 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1hr6 h ALA 139 Cb 0.34 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1hr6 h ALA 139 CO 0.00 -0.34 0.33 0.82 0.00 0.00 0.00 179.25 180.07 1hr6 h ILE 140 N 0.18 0.71 0.18 0.00 2.04 -1.02 -1.13 117.51 118.48 1hr6 h ILE 140 Ca 0.12 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.64 1hr6 h ILE 140 Cb 0.10 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1hr6 h ILE 140 CO -0.14 0.00 -1.68 -0.33 0.00 0.00 0.00 178.15 176.01 1hr6 h GLU 141 N 0.00 0.39 -0.03 2.37 4.39 -0.94 -3.28 114.58 117.48 1hr6 h GLU 141 Ca 0.21 -0.66 -0.06 0.00 0.34 0.00 0.00 59.36 59.19 1hr6 h GLU 141 Cb 0.87 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1hr6 h GLU 141 CO -0.00 1.32 -0.25 0.00 -1.16 0.00 0.00 179.01 178.91 1hr6 h ARG 142 N 0.05 0.05 -0.01 2.33 3.08 -0.75 -2.62 114.38 116.51 1hr6 h ARG 142 Ca -0.33 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.58 1hr6 h ARG 142 Cb 2.05 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.08 1hr6 h ARG 142 CO 0.17 0.31 -0.57 1.49 -1.07 0.00 0.00 179.97 180.30 1hr6 h GLU 143 N 0.05 0.02 -0.99 0.04 4.57 -1.34 -3.19 114.58 113.74 1hr6 h GLU 143 Ca 0.01 -0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.39 1hr6 h GLU 143 Cb 0.48 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.98 1hr6 h GLU 143 CO 0.03 0.58 0.62 0.00 -1.18 0.00 0.00 179.01 179.07 1hr6 h ARG 144 N 0.02 0.56 -0.15 1.92 3.08 -1.52 0.80 114.38 119.08 1hr6 h ARG 144 Ca -0.01 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.81 1hr6 h ARG 144 Cb 1.01 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1hr6 h ARG 144 CO 0.07 0.37 -0.70 0.22 -1.07 0.00 0.00 179.97 178.86 1hr6 h ASP 145 N 0.57 0.76 -0.76 7.04 1.82 -1.71 -2.64 116.42 121.50 1hr6 h ASP 145 Ca 0.56 -0.47 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1hr6 h ASP 145 Cb 1.13 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.88 1hr6 h ASP 145 CO -0.31 1.24 0.36 0.58 -1.61 0.00 0.00 179.24 179.50 1hr6 h VAL 146 N 0.46 1.24 -0.65 2.25 2.07 -0.99 -1.55 116.25 119.09 1hr6 h VAL 146 Ca -0.03 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 1hr6 h VAL 146 Cb 1.30 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1hr6 h VAL 146 CO 0.14 0.29 0.06 0.40 0.02 0.00 0.00 177.57 178.48 1hr6 h ILE 147 N 1.07 1.27 -0.34 4.57 1.08 -1.27 -1.58 117.51 122.30 1hr6 h ILE 147 Ca 0.26 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.63 1hr6 h ILE 147 Cb 0.13 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 1hr6 h ILE 147 CO -0.03 0.41 0.19 0.40 -0.69 0.00 0.00 178.15 178.43 1hr6 h ILE 148 N 1.01 1.13 -0.50 -0.67 1.08 -1.15 0.98 117.51 119.39 1hr6 h ILE 148 Ca 0.19 -0.35 0.05 0.00 -0.39 0.00 0.00 64.86 64.36 1hr6 h ILE 148 Cb 0.50 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 1hr6 h ILE 148 CO 0.02 0.14 0.25 -0.09 -0.69 0.00 0.00 178.15 177.77 1hr6 h ARG 149 N 0.43 0.47 -0.81 2.37 9.65 -1.09 -0.51 114.38 124.89 1hr6 h ARG 149 Ca 0.12 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.99 1hr6 h ARG 149 Cb 0.05 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 1hr6 h ARG 149 CO -0.02 0.31 0.53 1.49 2.80 0.00 0.00 179.97 185.07 1hr6 h GLU 150 N 0.48 1.02 -0.64 0.20 4.81 -0.74 -2.09 114.58 117.61 1hr6 h GLU 150 Ca 0.22 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1hr6 h GLU 150 Cb 0.14 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1hr6 h GLU 150 CO -0.16 0.67 0.33 1.03 -0.73 0.00 0.00 179.01 180.15 1hr6 h SER 151 N 1.05 0.82 0.40 1.04 0.87 0.36 -2.13 113.55 115.96 1hr6 h SER 151 Ca 0.31 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1hr6 h SER 151 Cb -0.05 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1hr6 h SER 151 CO -0.09 0.70 -0.18 -0.33 -0.53 0.00 0.00 176.83 176.40 1hr6 h GLU 152 N 0.88 0.00 -0.03 2.24 5.08 -0.52 -2.55 114.58 119.69 1hr6 h GLU 152 Ca 0.22 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.35 1hr6 h GLU 152 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1hr6 h GLU 152 CO -0.03 0.18 -0.92 0.93 -1.00 0.00 0.00 179.01 178.16 1hr6 h GLU 153 N 0.00 0.52 -0.14 2.33 4.39 -0.76 -3.08 114.58 117.84 1hr6 h GLU 153 Ca -0.00 -0.52 -0.09 0.00 0.34 0.00 0.00 59.36 59.09 1hr6 h GLU 153 Cb 0.42 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1hr6 h GLU 153 CO 0.02 1.15 -0.31 0.28 -1.16 0.00 0.00 179.01 178.99 1hr6 h VAL 154 N 0.31 1.27 0.00 3.13 2.07 -1.07 -2.07 116.25 119.89 1hr6 h VAL 154 Ca -0.08 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1hr6 h VAL 154 Cb 1.55 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1hr6 h VAL 154 CO 0.17 0.39 0.00 0.44 0.02 0.00 0.00 177.57 178.59 1hr6 h ASP 155 N 0.24 0.00 -0.00 0.57 3.32 -1.38 0.96 116.42 120.13 1hr6 h ASP 155 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1hr6 h ASP 155 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1hr6 h ASP 155 CO 0.05 0.00 -0.11 0.29 -1.72 0.00 0.00 179.24 177.75 1hr6 n LYS 156 N -2.34 1.86 -3.58 3.56 5.02 -0.78 -4.62 118.16 117.29 1hr6 n LYS 156 Ca -0.02 -1.43 -0.39 0.00 -2.02 0.00 0.00 58.31 54.45 1hr6 n LYS 156 Cb 0.04 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.13 3.18 0.45 1.97 -1.94 0.33 -4.96 119.30 116.20 1hr6 s MET 157 Ca 0.28 -2.84 0.22 0.00 -1.71 0.00 0.00 55.69 51.64 1hr6 s MET 157 Cb 0.20 -4.03 1.20 0.00 2.01 0.00 0.00 34.83 34.21 1hr6 s MET 157 CO 0.38 -1.23 1.85 1.88 -0.01 0.00 0.00 175.02 177.88 1hr6 h TYR 158 N 6.80 0.40 -0.46 -0.03 0.05 -1.82 0.17 116.97 122.08 1hr6 h TYR 158 Ca 0.09 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 1hr6 h TYR 158 Cb 0.92 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.51 1hr6 h TYR 158 CO 0.79 0.09 0.18 0.38 -1.05 0.00 0.00 178.16 178.55 1hr6 h ASP 159 N 0.29 0.64 -0.64 3.88 2.03 -1.93 -1.45 116.42 119.23 1hr6 h ASP 159 Ca 0.48 -0.17 -0.02 0.00 -0.73 0.00 0.00 57.03 56.59 1hr6 h ASP 159 Cb 1.38 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 39.69 1hr6 h ASP 159 CO -0.15 0.63 0.31 -0.33 -1.03 0.00 0.00 179.24 178.67 1hr6 h GLU 160 N 0.60 0.92 0.07 4.15 4.39 -1.31 -1.48 114.58 121.92 1hr6 h GLU 160 Ca 0.15 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1hr6 h GLU 160 Cb 0.19 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1hr6 h GLU 160 CO -0.01 0.73 -0.03 0.28 -1.16 0.00 0.00 179.01 178.82 1hr6 h VAL 161 N 0.88 0.95 -0.27 3.13 2.07 -1.18 -0.21 116.25 121.63 1hr6 h VAL 161 Ca 0.22 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1hr6 h VAL 161 Cb 0.12 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1hr6 h VAL 161 CO -0.03 0.01 0.08 0.58 0.02 0.00 0.00 177.57 178.24 1hr6 h VAL 162 N -0.12 0.92 0.00 2.57 2.07 -1.13 -1.64 116.25 118.92 1hr6 h VAL 162 Ca -0.01 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 1hr6 h VAL 162 Cb 0.10 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1hr6 h VAL 162 CO 0.02 0.04 -0.39 -0.26 0.02 0.00 0.00 177.57 176.99 1hr6 h PHE 163 N 0.20 0.00 -0.39 1.57 0.04 -1.12 0.35 116.94 117.59 1hr6 h PHE 163 Ca 0.12 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.73 1hr6 h PHE 163 Cb 0.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1hr6 h PHE 163 CO -0.14 0.39 -0.38 -0.44 -0.60 0.00 0.00 178.31 177.15 1hr6 h ASP 164 N 0.00 1.01 -0.36 2.17 3.32 -0.62 -1.87 116.42 120.07 1hr6 h ASP 164 Ca -0.00 -0.46 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 1hr6 h ASP 164 Cb 0.72 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1hr6 h ASP 164 CO 0.05 1.26 -0.21 0.45 -1.72 0.00 0.00 179.24 179.07 1hr6 h HIS 165 N 0.78 0.96 -0.66 4.55 3.86 -1.04 -2.12 115.15 121.48 1hr6 h HIS 165 Ca 0.06 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1hr6 h HIS 165 Cb 0.97 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.18 1hr6 h HIS 165 CO 0.06 0.98 0.37 1.25 0.86 0.00 0.00 177.93 181.45 1hr6 h LEU 166 N 0.74 0.83 -0.92 2.43 5.85 -0.76 -1.46 115.31 122.01 1hr6 h LEU 166 Ca 0.10 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1hr6 h LEU 166 Cb 0.74 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1hr6 h LEU 166 CO 0.06 0.68 0.12 0.45 -0.34 0.00 0.00 178.44 179.41 1hr6 h HIS 167 N 0.91 0.95 -0.28 1.25 3.86 -1.15 -0.55 115.15 120.13 1hr6 h HIS 167 Ca 0.23 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1hr6 h HIS 167 Cb 0.03 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1hr6 h HIS 167 CO -0.01 0.80 0.15 1.49 0.86 0.00 0.00 177.93 181.23 1hr6 h GLU 168 N 0.87 0.39 0.02 2.45 4.81 -0.63 -1.22 114.58 121.28 1hr6 h GLU 168 Ca 0.18 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.14 1hr6 h GLU 168 Cb 0.35 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1hr6 h GLU 168 CO 0.00 0.34 -1.13 -0.84 -0.73 0.00 0.00 179.01 176.65 1hr6 h ILE 169 N 0.34 1.57 -0.20 2.32 3.07 -1.17 -3.08 117.51 120.36 1hr6 h ILE 169 Ca 0.10 -3.27 -0.20 0.00 1.55 0.00 0.00 64.86 63.04 1hr6 h ILE 169 Cb 0.07 2.82 0.00 0.00 -0.27 0.00 0.00 36.82 39.43 1hr6 h ILE 169 CO -0.02 0.91 -0.65 0.74 -1.05 0.00 0.00 178.15 178.08 1hr6 h THR 170 N 0.01 1.29 -2.00 0.16 2.02 -1.08 -3.15 112.91 110.17 1hr6 h THR 170 Ca -0.07 -1.87 -0.70 0.00 0.77 0.00 0.00 66.41 64.55 1hr6 h THR 170 Cb 1.84 1.82 -0.34 0.00 -1.74 0.00 0.00 68.15 69.73 1hr6 h THR 170 CO 0.14 0.59 0.24 -1.22 0.37 0.00 0.00 175.52 175.64 1hr6 n TYR 171 N -3.96 3.27 -1.62 3.16 4.01 -0.46 -0.43 117.16 121.13 1hr6 n TYR 171 Ca -0.05 -2.93 -0.55 0.00 -0.16 0.00 0.00 57.90 54.21 1hr6 n TYR 171 Cb 0.68 -0.76 -0.07 0.00 -0.31 0.00 0.00 39.34 38.88 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 -0.35 1.02 -3.30 -0.72 3.00 -1.16 -1.46 118.16 115.19 1hr6 n LYS 172 Ca 0.44 0.37 -0.22 0.00 -0.00 0.00 0.00 58.31 58.89 1hr6 n LYS 172 Cb 0.38 -2.01 -0.00 0.00 0.00 0.00 0.00 35.03 33.40 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 3.33 -3.74 -4.45 3.14 8.00 -1.26 -4.96 116.55 116.61 1hr6 n ASP 173 Ca 0.21 -0.35 -0.22 0.00 0.71 0.00 0.00 54.79 55.14 1hr6 n ASP 173 Cb 0.16 -3.10 -0.10 0.00 -0.02 0.00 0.00 41.12 38.05 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 -5.95 1.59 0.17 -1.24 -0.21 -0.53 -5.04 119.66 108.45 1hr6 s GLN 174 Ca 0.37 -1.80 -0.15 0.00 0.02 0.00 0.00 55.36 53.80 1hr6 s GLN 174 Cb -0.20 -1.28 0.12 0.00 1.00 0.00 0.00 33.01 32.66 1hr6 s GLN 174 CO 0.46 0.08 1.71 -1.35 -2.12 0.00 0.00 175.29 174.07 1hr6 h PRO 175 N 2.24 0.16 0.00 2.91 0.11 -1.88 -1.24 132.00 134.31 1hr6 h PRO 175 Ca -0.40 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1hr6 h PRO 175 Cb 1.24 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1hr6 h PRO 175 CO 0.67 0.11 -0.00 1.25 -0.21 0.00 0.00 178.00 179.82 1hr6 h LEU 176 N 0.17 0.00 0.00 2.35 5.85 -1.87 -2.42 115.31 119.39 1hr6 h LEU 176 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1hr6 h LEU 176 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1hr6 h LEU 176 CO -0.30 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.42 1hr6 n GLY 177 N -0.70 -1.21 3.90 3.75 0.00 -0.47 -4.82 105.19 105.64 1hr6 n GLY 177 Ca -0.02 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.49 3.61 0.87 1.61 0.52 -0.91 -3.29 118.95 118.87 1hr6 s ARG 178 Ca 0.30 -0.10 -0.13 0.00 -0.52 0.00 0.00 55.73 55.29 1hr6 s ARG 178 Cb 0.20 -2.87 0.12 0.00 0.52 0.00 0.00 34.95 32.92 1hr6 s ARG 178 CO 0.43 0.48 1.17 0.95 0.02 0.00 0.00 175.30 178.36 1hr6 s THR 179 N -1.63 1.99 -0.00 0.02 -4.23 -1.26 -4.94 115.64 105.59 1hr6 s THR 179 Ca 0.40 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.82 1hr6 s THR 179 Cb -0.12 -2.88 -0.31 0.00 1.34 0.00 0.00 72.50 70.53 1hr6 s THR 179 CO 0.24 0.00 0.85 0.40 -0.54 0.00 0.00 174.62 175.57 1hr6 h ILE 180 N -1.33 1.14 -0.16 2.99 2.04 -1.96 -3.34 117.51 116.89 1hr6 h ILE 180 Ca -0.48 -2.70 -0.16 0.00 1.00 0.00 0.00 64.86 62.52 1hr6 h ILE 180 Cb 1.32 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 40.24 1hr6 h ILE 180 CO 0.61 0.84 -0.57 -0.07 0.00 0.00 0.00 178.15 178.97 1hr6 h LEU 181 N 0.10 0.55 0.00 1.44 4.07 -1.95 -3.39 115.31 116.13 1hr6 h LEU 181 Ca -0.27 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.39 1hr6 h LEU 181 Cb 2.08 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.66 1hr6 h LEU 181 CO 0.20 1.00 0.00 0.61 -1.08 0.00 0.00 178.44 179.17 1hr6 n GLY 182 N 0.26 -0.31 3.77 0.83 0.00 -1.25 -4.30 105.19 104.19 1hr6 n GLY 182 Ca -0.03 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.10 2.97 0.26 1.61 0.02 -1.26 -4.85 135.00 131.64 1hr6 s PRO 183 Ca 0.00 1.43 -0.02 0.00 0.02 0.00 0.00 61.00 62.43 1hr6 s PRO 183 Cb 0.00 -1.97 0.46 0.00 0.02 0.00 0.00 34.50 33.01 1hr6 s PRO 183 CO 0.00 -1.12 1.82 0.82 -0.33 0.00 0.00 177.00 178.18 1hr6 h ILE 184 N 0.33 0.90 -0.63 2.83 1.08 -1.98 -1.36 117.51 118.69 1hr6 h ILE 184 Ca -0.48 -0.29 0.11 0.00 -0.39 0.00 0.00 64.86 63.82 1hr6 h ILE 184 Cb 1.25 -0.02 -0.12 0.00 -3.07 0.00 0.00 36.82 34.86 1hr6 h ILE 184 CO 0.55 0.16 -0.32 0.50 -0.69 0.00 0.00 178.15 178.35 1hr6 h LYS 185 N 0.85 -0.12 -0.37 2.37 3.64 -2.00 -0.76 116.57 120.18 1hr6 h LYS 185 Ca 0.43 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.70 1hr6 h LYS 185 Cb 0.42 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1hr6 h LYS 185 CO -0.26 -0.08 -0.27 -0.91 -2.27 0.00 0.00 179.45 175.66 1hr6 h ASN 186 N -0.13 0.79 -0.05 4.20 4.21 -1.60 -2.46 115.58 120.54 1hr6 h ASN 186 Ca 0.26 -0.30 0.01 0.00 1.21 0.00 0.00 56.30 57.48 1hr6 h ASN 186 Cb 0.55 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1hr6 h ASN 186 CO -0.71 1.02 0.08 0.40 -1.29 0.00 0.00 177.43 176.93 1hr6 h ILE 187 N 0.66 0.36 0.00 2.81 2.04 -0.26 -0.18 117.51 122.94 1hr6 h ILE 187 Ca 0.08 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 1hr6 h ILE 187 Cb 0.79 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1hr6 h ILE 187 CO 0.07 0.00 -1.42 0.29 0.00 0.00 0.00 178.15 177.08 1hr6 n LYS 188 N -3.61 0.63 0.00 2.37 5.02 -0.70 -4.45 118.16 117.42 1hr6 n LYS 188 Ca -0.02 0.10 0.08 0.00 -2.02 0.00 0.00 58.31 56.45 1hr6 n LYS 188 Cb 0.16 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 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 -2.69 1.12 -4.73 4.39 3.41 -0.24 -4.99 113.62 109.90 1hr6 n SER 189 Ca -0.07 -1.06 -0.42 0.00 -0.26 0.00 0.00 58.87 57.06 1hr6 n SER 189 Cb 0.70 0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 65.41 1hr6 n SER 189 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1hr6 n ILE 190 N -0.86 0.36 -4.31 -1.33 2.08 -0.30 -4.99 119.36 110.00 1hr6 n ILE 190 Ca 0.05 -0.09 -0.24 0.00 0.56 0.00 0.00 62.75 63.03 1hr6 n ILE 190 Cb 0.29 -1.96 -0.08 0.00 -0.75 0.00 0.00 39.64 37.14 1hr6 n ILE 190 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1hr6 s THR 191 N 0.75 3.02 0.59 1.39 -4.23 -1.26 -5.00 115.64 110.90 1hr6 s THR 191 Ca 0.71 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 59.54 1hr6 s THR 191 Cb -0.51 -2.77 0.36 0.00 1.34 0.00 0.00 72.50 70.92 1hr6 s THR 191 CO 0.38 -0.30 2.07 -0.09 -0.54 0.00 0.00 174.62 176.13 1hr6 h ARG 192 N 1.88 0.00 -0.17 3.99 2.43 -1.94 0.35 114.38 120.91 1hr6 h ARG 192 Ca -0.43 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 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 0.63 0.00 -0.23 1.15 -1.51 0.00 0.00 179.97 180.00 1hr6 h THR 193 N 0.00 1.34 -0.37 0.20 2.02 -1.99 -1.04 112.91 113.08 1hr6 h THR 193 Ca 0.11 -1.44 0.07 0.00 0.77 0.00 0.00 66.41 65.91 1hr6 h THR 193 Cb 0.60 1.87 -0.06 0.00 -1.74 0.00 0.00 68.15 68.82 1hr6 h THR 193 CO -0.00 0.43 -0.00 0.44 0.37 0.00 0.00 175.52 176.76 1hr6 h ASP 194 N 0.11 -0.15 0.02 4.18 3.32 -1.35 0.15 116.42 122.70 1hr6 h ASP 194 Ca 0.02 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1hr6 h ASP 194 Cb 0.80 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1hr6 h ASP 194 CO 0.06 -0.04 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.34 1hr6 h LEU 195 N 0.10 -0.34 -1.45 1.55 3.38 -1.26 0.18 115.31 117.47 1hr6 h LEU 195 Ca 0.18 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1hr6 h LEU 195 Cb 0.25 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1hr6 h LEU 195 CO -0.30 -0.17 -0.24 0.11 0.09 0.00 0.00 178.44 177.92 1hr6 h LYS 196 N -0.21 0.00 -0.25 1.13 1.57 -0.81 -2.08 116.57 115.92 1hr6 h LYS 196 Ca 0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 1hr6 h LYS 196 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1hr6 h LYS 196 CO -0.11 0.24 -0.40 -0.44 -0.57 0.00 0.00 179.45 178.18 1hr6 h ASP 197 N 0.00 0.78 -0.36 0.86 3.32 -0.10 -0.56 116.42 120.37 1hr6 h ASP 197 Ca -0.00 -0.52 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 1hr6 h ASP 197 Cb 0.58 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1hr6 h ASP 197 CO 0.03 1.16 0.22 0.22 -1.72 0.00 0.00 179.24 179.15 1hr6 h TYR 198 N 0.44 0.47 0.13 4.55 5.03 -0.71 0.10 116.97 126.98 1hr6 h TYR 198 Ca 0.02 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.34 1hr6 h TYR 198 Cb 1.00 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.10 1hr6 h TYR 198 CO 0.08 0.33 -0.16 0.82 -1.32 0.00 0.00 178.16 177.91 1hr6 h ILE 199 N 0.47 0.63 -0.20 1.81 2.04 -1.30 -0.42 117.51 120.55 1hr6 h ILE 199 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1hr6 h ILE 199 Cb -0.01 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1hr6 h ILE 199 CO -0.02 0.00 0.09 0.74 0.00 0.00 0.00 178.15 178.95 1hr6 h THR 200 N -0.34 0.98 -0.41 -0.27 2.02 -0.88 -0.05 112.91 113.96 1hr6 h THR 200 Ca 0.01 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1hr6 h THR 200 Cb 0.34 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1hr6 h THR 200 CO -0.07 0.03 0.10 0.50 0.37 0.00 0.00 175.52 176.46 1hr6 h LYS 201 N 0.19 0.67 0.00 6.66 3.64 -0.72 -3.38 116.57 123.64 1hr6 h LYS 201 Ca 0.08 -0.16 -0.34 0.00 -1.27 0.00 0.00 60.65 58.96 1hr6 h LYS 201 Cb 0.03 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.70 1hr6 h LYS 201 CO -0.07 0.69 -2.15 0.09 -2.27 0.00 0.00 179.45 175.74 1hr6 n ASN 202 N -4.54 0.43 -4.57 4.20 3.02 -0.17 -4.78 115.26 108.84 1hr6 n ASN 202 Ca -0.00 0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 54.28 1hr6 n ASN 202 Cb 0.21 0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 39.90 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 -2.53 2.63 0.02 3.10 1.51 -0.04 -4.89 117.35 117.15 1hr6 s TYR 203 Ca -0.09 -1.20 0.06 0.00 -1.01 0.00 0.00 57.07 54.83 1hr6 s TYR 203 Cb 0.07 -4.68 -0.03 0.00 -0.11 0.00 0.00 41.96 37.21 1hr6 s TYR 203 CO 0.82 -1.81 -0.18 0.15 -1.11 0.00 0.00 175.55 173.42 1hr6 s LYS 204 N 4.67 2.17 0.28 -0.62 -0.14 -1.26 -4.49 119.74 120.34 1hr6 s LYS 204 Ca 0.53 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 54.23 1hr6 s LYS 204 Cb 0.02 -2.22 0.51 0.00 -1.68 0.00 0.00 37.83 34.47 1hr6 s LYS 204 CO 0.03 0.56 1.84 0.78 -0.76 0.00 0.00 175.35 177.80 1hr6 h GLY 205 N 4.79 1.60 1.26 -3.33 0.00 -1.21 -0.24 103.07 105.94 1hr6 h GLY 205 Ca -0.47 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1hr6 h GLY 205 CO 0.48 0.19 0.00 2.09 0.00 0.00 0.00 176.54 179.31 1hr6 n ASP 206 N -4.60 0.00 -0.35 0.19 5.75 -1.14 -1.02 116.55 115.37 1hr6 n ASP 206 Ca 0.18 -0.30 0.04 0.00 -0.01 0.00 0.00 54.79 54.70 1hr6 n ASP 206 Cb 0.32 -0.13 0.10 0.00 -1.03 0.00 0.00 41.12 40.38 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 -1.13 2.75 -4.11 0.11 1.74 -0.11 -4.46 116.66 111.45 1hr6 n ARG 207 Ca 0.11 -1.99 -0.11 0.00 -0.77 0.00 0.00 57.85 55.09 1hr6 n ARG 207 Cb 0.10 -1.26 -0.11 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.43 0.67 -0.06 5.56 0.23 -1.01 0.07 119.30 123.33 1hr6 s MET 208 Ca 0.17 -1.05 0.02 0.00 -1.03 0.00 0.00 55.69 53.80 1hr6 s MET 208 Cb 0.12 -0.22 0.01 0.00 -1.53 0.00 0.00 34.83 33.21 1hr6 s MET 208 CO 0.07 0.01 -0.12 0.08 -2.03 0.00 0.00 175.02 173.04 1hr6 s VAL 209 N -2.57 1.08 -0.37 5.16 1.01 0.47 -2.36 120.40 122.82 1hr6 s VAL 209 Ca 0.01 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1hr6 s VAL 209 Cb -0.02 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1hr6 s VAL 209 CO -0.03 0.34 0.23 -0.22 0.00 0.00 0.00 175.10 175.43 1hr6 s LEU 210 N 0.66 4.74 -0.07 3.92 2.96 -0.01 -0.54 118.68 130.34 1hr6 s LEU 210 Ca -0.14 -0.83 -0.00 0.00 -0.22 0.00 0.00 54.13 52.94 1hr6 s LEU 210 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1hr6 s LEU 210 CO 0.03 -0.36 -0.04 0.00 -1.32 0.00 0.00 176.35 174.66 1hr6 s ALA 211 N 1.63 3.10 0.04 5.97 0.00 0.85 -1.63 121.76 131.72 1hr6 s ALA 211 Ca 0.04 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 1hr6 s ALA 211 Cb -0.19 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 1hr6 s ALA 211 CO 0.08 0.58 -0.04 0.20 0.00 0.00 0.00 175.76 176.59 1hr6 s GLY 212 N -0.86 0.38 0.02 0.00 0.00 -0.55 -0.13 107.32 106.18 1hr6 s GLY 212 Ca 0.13 -0.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.68 1hr6 s GLY 212 CO 0.02 -0.98 0.66 0.00 0.00 0.00 0.00 173.10 172.80 1hr6 s ALA 213 N -2.54 -1.72 0.00 3.20 0.00 -0.79 -2.08 121.76 117.82 1hr6 s ALA 213 Ca -0.05 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1hr6 s ALA 213 Cb -0.02 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1hr6 s ALA 213 CO -0.05 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1hr6 n GLY 214 N 0.46 0.55 3.31 0.00 0.00 -1.01 -1.81 105.19 106.69 1hr6 n GLY 214 Ca -0.18 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 0.05 3.95 -3.50 4.61 0.00 -0.08 -1.31 120.51 124.23 1hr6 n ALA 215 Ca 0.00 -3.75 -0.22 0.00 0.00 0.00 0.00 53.44 49.46 1hr6 n ALA 215 Cb 0.00 -3.58 -0.16 0.00 0.00 0.00 0.00 19.45 15.71 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 4.62 0.88 -0.34 0.00 1.01 -1.26 -4.78 120.40 120.52 1hr6 s VAL 216 Ca 0.54 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 1hr6 s VAL 216 Cb 0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 1hr6 s VAL 216 CO 0.04 0.30 0.57 -0.62 0.00 0.00 0.00 175.10 175.38 1hr6 s ASP 217 N 0.72 6.38 0.20 3.32 -1.08 -1.26 -4.65 116.67 120.30 1hr6 s ASP 217 Ca -0.13 0.10 -0.11 0.00 -0.52 0.00 0.00 52.55 51.90 1hr6 s ASP 217 Cb -0.15 -2.30 0.22 0.00 -1.46 0.00 0.00 42.92 39.23 1hr6 s ASP 217 CO 0.02 -0.51 1.77 -0.74 0.52 0.00 0.00 175.17 176.24 1hr6 h HIS 218 N 8.41 0.48 0.64 -5.34 -0.00 -1.99 -1.83 115.15 115.53 1hr6 h HIS 218 Ca -0.27 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.09 1hr6 h HIS 218 Cb 1.12 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1hr6 h HIS 218 CO 0.74 0.20 -0.33 0.93 -0.00 0.00 0.00 177.93 179.46 1hr6 h GLU 219 N 0.50 -0.87 -0.80 5.26 3.07 -2.00 -1.84 114.58 117.90 1hr6 h GLU 219 Ca 0.27 0.06 0.10 0.00 -0.50 0.00 0.00 59.36 59.29 1hr6 h GLU 219 Cb 0.24 0.20 -0.07 0.00 -0.84 0.00 0.00 28.75 28.28 1hr6 h GLU 219 CO -0.22 -0.58 0.44 0.87 -1.40 0.00 0.00 179.01 178.12 1hr6 h LYS 220 N -0.90 0.71 -0.23 2.33 1.57 -1.97 -0.77 116.57 117.32 1hr6 h LYS 220 Ca -0.09 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1hr6 h LYS 220 Cb 0.70 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1hr6 h LYS 220 CO 0.13 0.47 0.02 1.25 -0.57 0.00 0.00 179.45 180.74 1hr6 h LEU 221 N 0.73 0.30 -0.44 2.94 5.85 -1.17 -1.11 115.31 122.41 1hr6 h LEU 221 Ca 0.39 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 59.00 1hr6 h LEU 221 Cb 0.39 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1hr6 h LEU 221 CO -0.26 0.34 -0.02 0.58 -0.34 0.00 0.00 178.44 178.73 1hr6 h VAL 222 N 0.32 1.26 0.17 1.05 2.07 -0.28 -0.38 116.25 120.47 1hr6 h VAL 222 Ca 0.08 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1hr6 h VAL 222 Cb 0.19 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1hr6 h VAL 222 CO 0.00 0.37 -0.12 1.56 0.02 0.00 0.00 177.57 179.41 1hr6 h GLN 223 N 0.64 -0.28 -0.65 1.57 4.20 -0.86 -0.69 115.11 119.04 1hr6 h GLN 223 Ca 0.12 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1hr6 h GLN 223 Cb 0.53 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1hr6 h GLN 223 CO 0.03 -0.18 0.43 1.88 -0.67 0.00 0.00 178.83 180.32 1hr6 h TYR 224 N -0.29 0.77 0.16 2.96 0.05 -1.18 0.15 116.97 119.59 1hr6 h TYR 224 Ca -0.01 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1hr6 h TYR 224 Cb 0.25 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 1hr6 h TYR 224 CO -0.09 0.45 -0.09 0.00 -1.05 0.00 0.00 178.16 177.38 1hr6 h ALA 225 N 1.61 -0.24 -0.36 3.88 0.00 -0.39 0.16 119.26 123.93 1hr6 h ALA 225 Ca 0.26 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1hr6 h ALA 225 Cb 0.04 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1hr6 h ALA 225 CO -0.07 -0.64 0.10 0.37 0.00 0.00 0.00 179.25 179.01 1hr6 h GLN 226 N -0.24 0.23 0.16 0.00 5.75 -0.19 0.93 115.11 121.75 1hr6 h GLN 226 Ca -0.02 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1hr6 h GLN 226 Cb 0.20 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1hr6 h GLN 226 CO 0.02 0.15 -0.15 -0.22 -2.65 0.00 0.00 178.83 175.98 1hr6 h LYS 227 N 0.24 -0.33 0.00 1.69 3.64 -0.31 0.11 116.57 121.61 1hr6 h LYS 227 Ca 0.17 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1hr6 h LYS 227 Cb 0.17 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1hr6 h LYS 227 CO -0.20 -0.22 -1.02 0.66 -2.27 0.00 0.00 179.45 176.41 1hr6 n TYR 228 N -5.27 0.48 -0.02 1.91 4.01 0.52 -4.36 117.16 114.43 1hr6 n TYR 228 Ca -0.08 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1hr6 n TYR 228 Cb 0.19 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 38.60 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 -2.20 0.00 0.08 -0.72 3.72 0.32 -4.72 117.46 113.94 1hr6 n PHE 229 Ca 0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.48 1hr6 n PHE 229 Cb 0.48 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.53 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 0.00 0.35 1.56 1.37 0.00 -0.57 -1.85 103.07 103.92 1hr6 h GLY 230 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 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 -4.49 0.00 -2.42 5.60 1.44 -1.26 -4.75 115.22 109.34 1hr6 n HIS 231 Ca 0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.31 1hr6 n HIS 231 Cb 0.12 -0.28 -0.03 0.00 0.12 0.00 0.00 29.99 29.92 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 -2.56 4.05 0.51 0.61 1.01 -0.70 -4.98 120.40 118.34 1hr6 s VAL 232 Ca 0.12 1.46 -0.22 0.00 0.00 0.00 0.00 61.98 63.34 1hr6 s VAL 232 Cb 0.08 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 1hr6 s VAL 232 CO 0.19 0.10 1.02 -2.65 0.00 0.00 0.00 175.10 173.76 1hr6 n PRO 233 N 4.07 1.22 -3.45 2.72 -0.02 -1.26 -4.47 135.00 133.81 1hr6 n PRO 233 Ca 0.09 0.45 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 1hr6 n PRO 233 Cb 0.46 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.41 3.59 0.83 -0.52 2.20 -1.26 -1.11 119.74 121.06 1hr6 s LYS 234 Ca 0.69 -0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 56.06 1hr6 s LYS 234 Cb -0.48 -2.71 0.09 0.00 -1.51 0.00 0.00 37.83 33.22 1hr6 s LYS 234 CO 0.52 0.27 1.10 -1.12 -0.36 0.00 0.00 175.35 175.76 1hr6 s SER 235 N -3.22 4.21 0.05 1.43 0.01 -1.26 -4.90 113.70 110.02 1hr6 s SER 235 Ca 0.42 1.31 0.24 0.00 1.31 0.00 0.00 55.95 59.23 1hr6 s SER 235 Cb -0.11 -2.02 0.30 0.00 0.21 0.00 0.00 66.02 64.40 1hr6 s SER 235 CO 0.30 -2.15 1.26 -1.84 0.41 0.00 0.00 173.24 171.22 1hr6 n GLU 236 N -3.55 0.17 -3.14 12.44 0.28 -1.26 -4.17 120.64 121.42 1hr6 n GLU 236 Ca 0.07 0.03 -0.24 0.00 -0.16 0.00 0.00 57.16 56.86 1hr6 n GLU 236 Cb 0.56 -1.59 -0.05 0.00 1.43 0.00 0.00 31.44 31.80 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 -1.83 2.46 -4.64 -1.84 7.64 -1.26 -5.11 113.62 109.04 1hr6 n SER 237 Ca 0.04 -3.26 -0.45 0.00 1.01 0.00 0.00 58.87 56.20 1hr6 n SER 237 Cb 0.40 -0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 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 0.37 1.76 -4.41 1.43 -0.02 -1.26 -5.02 135.00 127.86 1hr6 n PRO 238 Ca 0.27 0.62 -0.19 0.00 -2.02 0.00 0.00 63.50 62.18 1hr6 n PRO 238 Cb 0.51 -2.19 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.44 0.83 0.41 -1.45 -7.23 -1.26 -5.12 120.40 106.14 1hr6 s VAL 239 Ca 0.65 -0.53 -0.27 0.00 -1.81 0.00 0.00 61.98 60.03 1hr6 s VAL 239 Cb -0.68 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 1hr6 s VAL 239 CO 0.54 0.17 1.43 -2.84 -0.31 0.00 0.00 175.10 174.10 1hr6 s PRO 240 N -0.40 3.92 0.34 4.82 0.02 -1.26 -4.86 135.00 137.57 1hr6 s PRO 240 Ca 0.03 2.44 0.19 0.00 0.02 0.00 0.00 61.00 63.69 1hr6 s PRO 240 Cb -0.05 -2.81 1.23 0.00 0.02 0.00 0.00 34.50 32.89 1hr6 s PRO 240 CO -0.00 -0.64 1.43 1.28 -0.33 0.00 0.00 177.00 178.74 1hr6 n LEU 241 N 0.15 0.31 -0.82 -5.54 4.77 -1.26 -0.45 117.00 114.16 1hr6 n LEU 241 Ca 0.03 1.49 0.10 0.00 -0.03 0.00 0.00 56.01 57.60 1hr6 n LEU 241 Cb 0.41 -0.73 0.27 0.00 -2.33 0.00 0.00 43.42 41.04 1hr6 n LEU 241 CO 0.60 -1.67 0.72 0.61 -1.33 0.00 0.00 177.39 176.32 1hr6 n GLY 242 N -1.24 0.98 3.84 -0.72 0.00 -1.25 -4.48 105.19 102.31 1hr6 n GLY 242 Ca 0.34 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.33 6.87 -0.39 1.61 1.04 0.40 -4.90 113.70 117.00 1hr6 s SER 243 Ca 0.34 1.38 -0.42 0.00 0.48 0.00 0.00 55.95 57.73 1hr6 s SER 243 Cb 0.18 -2.41 -0.16 0.00 0.10 0.00 0.00 66.02 63.73 1hr6 s SER 243 CO 0.26 -0.18 1.89 -0.81 0.98 0.00 0.00 173.24 175.38 1hr6 n PRO 244 N -0.16 0.63 -0.24 4.02 -0.04 -1.26 -4.85 135.00 133.10 1hr6 n PRO 244 Ca 0.03 0.21 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 1hr6 n PRO 244 Cb 0.53 -1.91 0.17 0.00 -0.04 0.00 0.00 33.50 32.25 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 8.15 0.40 0.00 0.54 9.65 -1.97 -3.48 114.38 127.67 1hr6 h ARG 245 Ca -0.34 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 1hr6 h ARG 245 Cb 1.35 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1hr6 h ARG 245 CO 1.01 0.26 0.00 0.41 2.80 0.00 0.00 179.97 184.45 1hr6 n GLY 246 N -1.32 -0.59 3.69 2.80 0.00 -1.26 -5.11 105.19 103.40 1hr6 n GLY 246 Ca 0.13 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.06 4.30 0.25 1.61 0.02 -1.26 -4.95 135.00 134.91 1hr6 s PRO 247 Ca 0.00 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 62.67 1hr6 s PRO 247 Cb 0.00 -3.53 -0.14 0.00 0.02 0.00 0.00 34.50 30.85 1hr6 s PRO 247 CO 0.00 -0.53 1.15 1.28 -0.33 0.00 0.00 177.00 178.57 1hr6 n LEU 248 N 5.13 2.11 -4.71 -5.54 4.32 -1.26 -4.91 117.00 112.15 1hr6 n LEU 248 Ca 0.13 1.16 -0.35 0.00 -0.02 0.00 0.00 56.01 56.93 1hr6 n LEU 248 Cb 0.44 -1.31 0.10 0.00 -1.62 0.00 0.00 43.42 41.03 1hr6 n LEU 248 CO 0.58 -1.12 0.83 -2.65 -1.22 0.00 0.00 177.39 173.81 1hr6 n PRO 249 N 1.25 0.66 -5.24 3.23 -0.02 -1.26 -4.98 135.00 128.64 1hr6 n PRO 249 Ca 0.11 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 1hr6 n PRO 249 Cb 0.30 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 31.14 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 -1.74 2.03 -0.18 -1.45 0.11 -1.26 -5.01 120.40 112.90 1hr6 s VAL 250 Ca 0.78 -1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.50 1hr6 s VAL 250 Cb -0.34 -1.73 -0.01 0.00 -1.53 0.00 0.00 36.38 32.78 1hr6 s VAL 250 CO 0.45 0.56 1.22 0.12 -3.33 0.00 0.00 175.10 174.13 1hr6 s PHE 251 N -0.03 2.93 -0.20 1.54 2.19 -1.26 -4.64 117.98 118.50 1hr6 s PHE 251 Ca -0.07 1.09 -0.07 0.00 0.33 0.00 0.00 56.93 58.20 1hr6 s PHE 251 Cb -0.15 -3.47 -0.04 0.00 -1.31 0.00 0.00 43.02 38.06 1hr6 s PHE 251 CO 0.05 -1.49 0.06 0.00 1.83 0.00 0.00 175.22 175.68 1hr6 s ARG 253 N 0.80 4.26 0.00 0.00 1.70 -1.26 -4.32 118.95 120.13 1hr6 s ARG 253 Ca 0.03 1.49 0.00 0.00 -0.47 0.00 0.00 55.73 56.79 1hr6 s ARG 253 Cb -0.14 -2.61 0.00 0.00 -0.57 0.00 0.00 34.95 31.63 1hr6 s ARG 253 CO 0.02 -0.05 0.00 0.41 -1.08 0.00 0.00 175.30 174.60 1hr6 n GLY 254 N 0.40 -0.74 3.22 3.88 0.00 -1.22 -4.95 105.19 105.77 1hr6 n GLY 254 Ca 0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 1hr6 n GLY 254 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1hr6 s GLU 255 N -2.00 0.57 -0.15 1.61 -1.05 -1.26 -0.77 118.70 115.66 1hr6 s GLU 255 Ca 0.00 -0.04 -0.05 0.00 -0.15 0.00 0.00 54.97 54.73 1hr6 s GLU 255 Cb 0.00 0.26 0.06 0.00 -0.44 0.00 0.00 34.13 34.00 1hr6 s GLU 255 CO 0.00 -0.14 0.09 0.50 0.95 0.00 0.00 175.26 176.66 1hr6 s ARG 256 N -0.94 0.05 -0.26 -4.83 3.52 -0.46 -4.96 118.95 111.07 1hr6 s ARG 256 Ca -0.10 -0.01 -0.15 0.00 -0.13 0.00 0.00 55.73 55.34 1hr6 s ARG 256 Cb -0.05 -1.63 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 1hr6 s ARG 256 CO 0.03 -0.62 0.35 -0.06 -0.81 0.00 0.00 175.30 174.19 1hr6 s PHE 257 N 2.15 3.27 -0.53 5.12 0.08 -1.26 -1.51 117.98 125.29 1hr6 s PHE 257 Ca 0.03 0.41 -0.03 0.00 0.12 0.00 0.00 56.93 57.45 1hr6 s PHE 257 Cb -0.15 -2.54 0.14 0.00 -0.57 0.00 0.00 43.02 39.90 1hr6 s PHE 257 CO -0.08 -0.18 0.34 0.42 -0.10 0.00 0.00 175.22 175.62 1hr6 s ILE 258 N 1.89 3.56 0.08 0.64 1.01 0.17 -4.97 121.20 123.58 1hr6 s ILE 258 Ca 0.15 -2.52 -0.31 0.00 0.00 0.00 0.00 60.65 57.97 1hr6 s ILE 258 Cb -0.16 -3.37 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 1hr6 s ILE 258 CO 0.09 -0.79 1.36 -0.75 0.00 0.00 0.00 174.94 174.85 1hr6 s LYS 259 N 0.52 4.33 -0.44 2.79 2.20 -1.26 -1.51 119.74 126.36 1hr6 s LYS 259 Ca 0.13 2.01 0.06 0.00 -0.36 0.00 0.00 55.97 57.81 1hr6 s LYS 259 Cb -0.22 -3.33 0.18 0.00 -1.51 0.00 0.00 37.83 32.96 1hr6 s LYS 259 CO -0.04 -0.44 0.59 -2.00 -0.36 0.00 0.00 175.35 173.11 1hr6 s GLU 260 N 1.35 0.88 0.00 4.03 2.56 -0.53 -4.83 118.70 122.16 1hr6 s GLU 260 Ca 0.64 -0.79 0.17 0.00 0.00 0.00 0.00 54.97 54.98 1hr6 s GLU 260 Cb -0.35 -0.22 0.99 0.00 2.00 0.00 0.00 34.13 36.55 1hr6 s GLU 260 CO 0.29 -1.25 1.43 0.09 -0.56 0.00 0.00 175.26 175.26 1hr6 n ASN 261 N 3.77 0.00 0.09 -1.70 3.02 -1.26 -2.59 115.26 116.59 1hr6 n ASN 261 Ca 0.15 -0.77 0.07 0.00 -0.03 0.00 0.00 54.58 54.00 1hr6 n ASN 261 Cb 0.54 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.70 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 0.25 -3.31 3.41 1.35 -1.95 -3.47 112.91 109.19 1hr6 h THR 262 Ca 0.00 -1.46 -0.52 0.00 -0.55 0.00 0.00 66.41 63.88 1hr6 h THR 262 Cb 0.00 1.82 0.03 0.00 -1.73 0.00 0.00 68.15 68.27 1hr6 h THR 262 CO 0.00 0.14 0.67 -0.76 -0.25 0.00 0.00 175.52 175.33 1hr6 s LEU 263 N -5.69 4.40 0.29 3.87 1.43 -1.07 -4.94 118.68 116.97 1hr6 s LEU 263 Ca -0.00 2.40 0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1hr6 s LEU 263 Cb 0.09 -3.61 0.39 0.00 0.03 0.00 0.00 46.19 43.09 1hr6 s LEU 263 CO 0.78 -0.56 1.62 -0.65 0.23 0.00 0.00 176.35 177.77 1hr6 h PRO 264 N 5.62 0.00 -6.39 1.29 0.11 -1.90 -3.44 132.00 127.30 1hr6 h PRO 264 Ca -0.44 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 -0.24 0.00 0.11 0.00 0.00 31.00 32.09 1hr6 h PRO 264 CO 0.79 0.58 -0.85 0.95 -0.21 0.00 0.00 178.00 179.26 1hr6 s THR 265 N -3.55 1.88 -0.04 -1.15 -4.23 -1.26 -0.37 115.64 106.93 1hr6 s THR 265 Ca -0.01 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 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 0.75 0.11 -0.07 -0.89 -0.54 0.00 0.00 174.62 173.97 1hr6 s THR 266 N -0.99 3.64 -0.12 3.99 2.01 0.77 -4.71 115.64 120.23 1hr6 s THR 266 Ca 0.09 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1hr6 s THR 266 Cb -0.10 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.90 1hr6 s THR 266 CO 0.04 0.52 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.29 1hr6 s HIS 267 N -0.87 2.46 -0.05 4.92 3.76 0.32 -0.63 115.29 125.19 1hr6 s HIS 267 Ca 0.14 -1.19 0.03 0.00 -0.15 0.00 0.00 55.06 53.90 1hr6 s HIS 267 Cb -0.11 -1.69 0.01 0.00 1.11 0.00 0.00 32.58 31.89 1hr6 s HIS 267 CO 0.04 -0.54 -0.14 0.42 -0.85 0.00 0.00 174.74 173.66 1hr6 s ILE 268 N 0.78 1.27 -0.10 0.60 1.09 0.32 -0.29 121.20 124.87 1hr6 s ILE 268 Ca -0.09 -0.59 0.02 0.00 -1.10 0.00 0.00 60.65 58.89 1hr6 s ILE 268 Cb -0.16 -1.12 0.01 0.00 -1.06 0.00 0.00 42.46 40.13 1hr6 s ILE 268 CO -0.00 0.38 -0.17 0.00 -0.10 0.00 0.00 174.94 175.05 1hr6 s ALA 269 N 0.36 1.74 -0.14 9.38 0.00 -0.50 0.11 121.76 132.71 1hr6 s ALA 269 Ca -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1hr6 s ALA 269 Cb -0.14 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.22 1hr6 s ALA 269 CO 0.03 0.06 -0.22 0.42 0.00 0.00 0.00 175.76 176.05 1hr6 s ILE 270 N 0.75 2.08 0.10 0.00 1.01 -0.55 -1.62 121.20 122.97 1hr6 s ILE 270 Ca -0.11 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.58 1hr6 s ILE 270 Cb -0.16 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1hr6 s ILE 270 CO 0.02 0.55 -0.07 0.00 0.00 0.00 0.00 174.94 175.44 1hr6 s ALA 271 N 0.77 1.00 0.09 9.38 0.00 -0.49 -1.30 121.76 131.21 1hr6 s ALA 271 Ca -0.08 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1hr6 s ALA 271 Cb -0.16 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1hr6 s ALA 271 CO -0.01 -0.18 -0.06 -0.51 0.00 0.00 0.00 175.76 175.00 1hr6 s LEU 272 N -2.84 2.51 0.17 0.00 1.02 -0.54 -1.32 118.68 117.68 1hr6 s LEU 272 Ca 0.09 -1.00 -0.33 0.00 0.02 0.00 0.00 54.13 52.90 1hr6 s LEU 272 Cb 0.03 -0.04 -0.14 0.00 0.02 0.00 0.00 46.19 46.06 1hr6 s LEU 272 CO -0.03 -0.48 1.60 1.21 0.02 0.00 0.00 176.35 178.67 1hr6 n GLU 273 N -0.02 2.27 0.00 1.70 2.13 -1.26 -2.03 120.64 123.43 1hr6 n GLU 273 Ca -0.12 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1hr6 n GLU 273 Cb 0.61 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 3.49 2.01 3.33 8.31 0.00 0.34 -4.68 105.19 117.99 1hr6 n GLY 274 Ca 0.17 -1.78 -0.28 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 4.46 2.03 0.58 1.61 0.11 -1.26 -4.45 120.40 123.47 1hr6 s VAL 275 Ca 0.00 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 1hr6 s VAL 275 Cb 0.00 -1.77 0.04 0.00 -1.53 0.00 0.00 36.38 33.13 1hr6 s VAL 275 CO 0.00 0.21 0.82 -0.94 -3.33 0.00 0.00 175.10 171.86 1hr6 s SER 276 N -1.53 5.15 0.38 3.54 1.04 -1.25 -3.77 113.70 117.26 1hr6 s SER 276 Ca 0.11 0.03 0.13 0.00 0.48 0.00 0.00 55.95 56.69 1hr6 s SER 276 Cb -0.10 -0.85 0.93 0.00 0.10 0.00 0.00 66.02 66.11 1hr6 s SER 276 CO 0.03 -1.25 1.86 -0.50 0.98 0.00 0.00 173.24 174.37 1hr6 h TRP 277 N -0.06 0.70 -0.02 5.02 4.06 -1.50 -2.39 115.95 121.76 1hr6 h TRP 277 Ca -0.42 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.55 1hr6 h TRP 277 Cb 1.30 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1hr6 h TRP 277 CO 0.33 0.23 -0.26 -1.13 -3.56 0.00 0.00 178.44 174.04 1hr6 n SER 278 N -4.55 2.32 -4.62 -3.49 3.41 -1.26 -4.94 113.62 100.49 1hr6 n SER 278 Ca 0.18 -1.66 -0.44 0.00 -0.26 0.00 0.00 58.87 56.68 1hr6 n SER 278 Cb 0.57 0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.47 0.12 0.07 7.33 0.00 -0.90 -4.83 120.51 122.77 1hr6 n ALA 279 Ca 0.12 0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.98 1hr6 n ALA 279 Cb 0.51 -2.08 0.42 0.00 0.00 0.00 0.00 19.45 18.29 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 2.33 0.38 -0.45 0.00 0.11 -1.93 -2.07 132.00 130.36 1hr6 h PRO 280 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1hr6 h PRO 280 Cb 1.33 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1hr6 h PRO 280 CO 0.62 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 1hr6 n ASP 281 N -4.39 2.27 -0.12 -2.05 5.75 -1.26 -4.59 116.55 112.17 1hr6 n ASP 281 Ca 0.01 -2.08 -0.09 0.00 -0.01 0.00 0.00 54.79 52.61 1hr6 n ASP 281 Cb 0.16 -0.31 -0.04 0.00 -1.03 0.00 0.00 41.12 39.90 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 2.19 -1.17 -0.09 2.11 3.20 -1.67 -0.67 116.97 120.88 1hr6 h TYR 282 Ca 0.00 0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1hr6 h TYR 282 Cb 0.64 0.57 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1hr6 h TYR 282 CO 0.31 -0.43 -0.24 0.74 -1.64 0.00 0.00 178.16 176.90 1hr6 h PHE 283 N -0.32 0.16 -0.47 -3.82 0.04 -1.84 -2.15 116.94 108.55 1hr6 h PHE 283 Ca 0.14 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 1hr6 h PHE 283 Cb 0.58 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 1hr6 h PHE 283 CO -0.60 0.38 -0.05 0.28 -0.60 0.00 0.00 178.31 177.73 1hr6 h VAL 284 N 0.14 1.25 -0.44 -0.55 2.07 -1.57 0.12 116.25 117.28 1hr6 h VAL 284 Ca 0.02 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1hr6 h VAL 284 Cb 0.50 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1hr6 h VAL 284 CO 0.03 0.38 0.15 0.00 0.02 0.00 0.00 177.57 178.16 1hr6 h ALA 285 N 1.20 0.57 -0.49 1.67 0.00 -0.55 -0.24 119.26 121.43 1hr6 h ALA 285 Ca 0.14 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1hr6 h ALA 285 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1hr6 h ALA 285 CO 0.03 0.20 -0.10 -0.07 0.00 0.00 0.00 179.25 179.31 1hr6 h LEU 286 N 0.56 0.88 -0.95 0.00 3.38 -1.07 -1.31 115.31 116.81 1hr6 h LEU 286 Ca 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1hr6 h LEU 286 Cb 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1hr6 h LEU 286 CO -0.01 1.00 0.44 0.00 0.09 0.00 0.00 178.44 179.96 1hr6 h ALA 287 N 1.08 1.19 -0.11 1.53 0.00 -0.40 -0.83 119.26 121.72 1hr6 h ALA 287 Ca 0.13 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1hr6 h ALA 287 Cb 0.62 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1hr6 h ALA 287 CO 0.04 0.64 -0.55 1.15 0.00 0.00 0.00 179.25 180.53 1hr6 h THR 288 N 1.18 1.36 -0.46 0.00 2.02 -0.68 -1.15 112.91 115.18 1hr6 h THR 288 Ca 0.29 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.61 1hr6 h THR 288 Cb 0.06 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1hr6 h THR 288 CO -0.04 0.56 0.23 -0.61 0.37 0.00 0.00 175.52 176.02 1hr6 h GLN 289 N 0.25 0.65 0.00 6.66 4.15 -0.62 -2.47 115.11 123.73 1hr6 h GLN 289 Ca 0.00 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 1hr6 h GLN 289 Cb 1.05 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1hr6 h GLN 289 CO 0.09 0.54 -0.30 0.00 -1.93 0.00 0.00 178.83 177.23 1hr6 h ALA 290 N 1.08 1.47 -0.36 3.38 0.00 -0.82 0.26 119.26 124.27 1hr6 h ALA 290 Ca 0.16 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1hr6 h ALA 290 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1hr6 h ALA 290 CO -0.02 0.38 -0.22 0.82 0.00 0.00 0.00 179.25 180.21 1hr6 h ILE 291 N 0.00 1.27 0.05 0.00 2.04 -0.77 -3.08 117.51 117.03 1hr6 h ILE 291 Ca -0.00 -1.30 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 1hr6 h ILE 291 Cb 0.54 1.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1hr6 h ILE 291 CO 0.04 0.43 -0.37 0.58 0.00 0.00 0.00 178.15 178.83 1hr6 h VAL 292 N 0.61 1.64 -0.35 1.67 2.07 -1.16 -3.49 116.25 117.25 1hr6 h VAL 292 Ca 0.09 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1hr6 h VAL 292 Cb 0.70 3.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1hr6 h VAL 292 CO 0.05 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.89 1hr6 n GLY 293 N 1.51 0.11 3.52 2.17 0.00 0.86 -4.95 105.19 108.42 1hr6 n GLY 293 Ca -0.11 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 2.94 -0.18 1.61 -0.87 -1.26 -2.97 114.94 110.21 1hr6 s ASN 294 Ca 0.00 -1.41 -0.27 0.00 -1.57 0.00 0.00 52.86 49.61 1hr6 s ASN 294 Cb 0.00 -0.11 0.07 0.00 -0.02 0.00 0.00 41.25 41.19 1hr6 s ASN 294 CO 0.00 -0.59 0.70 0.86 -2.57 0.00 0.00 177.10 175.50 1hr6 s TRP 295 N -3.09 -0.74 -0.03 2.20 -0.00 -0.36 -4.51 118.94 112.40 1hr6 s TRP 295 Ca 0.34 1.62 0.01 0.00 -0.00 0.00 0.00 56.10 58.06 1hr6 s TRP 295 Cb 0.08 0.32 0.03 0.00 -0.00 0.00 0.00 33.47 33.90 1hr6 s TRP 295 CO 0.16 -0.47 -0.01 0.34 -0.00 0.00 0.00 176.95 176.97 1hr6 s ASP 296 N -0.23 0.60 0.41 5.86 -1.08 0.13 -1.23 116.67 121.14 1hr6 s ASP 296 Ca -0.04 -0.05 0.22 0.00 -0.52 0.00 0.00 52.55 52.15 1hr6 s ASP 296 Cb -0.03 -0.29 1.20 0.00 -1.46 0.00 0.00 42.92 42.34 1hr6 s ASP 296 CO 0.04 -0.09 1.73 -0.09 0.52 0.00 0.00 175.17 177.28 1hr6 h ARG 297 N 7.28 0.29 0.00 4.34 2.43 -1.32 0.29 114.38 127.69 1hr6 h ARG 297 Ca -0.40 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.52 1hr6 h ARG 297 Cb 1.14 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1hr6 h ARG 297 CO 0.46 0.19 -1.25 0.00 -1.51 0.00 0.00 179.97 177.86 1hr6 h ALA 298 N 1.62 0.26 0.00 2.80 0.00 -1.96 -3.41 119.26 118.57 1hr6 h ALA 298 Ca 0.66 -1.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1hr6 h ALA 298 Cb 1.81 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 20.32 1hr6 h ALA 298 CO -0.34 0.70 -0.60 0.82 0.00 0.00 0.00 179.25 179.83 1hr6 h ILE 299 N -1.00 1.03 0.00 0.00 1.08 -1.90 -3.50 117.51 113.22 1hr6 h ILE 299 Ca -0.35 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 61.67 1hr6 h ILE 299 Cb 1.30 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 37.56 1hr6 h ILE 299 CO -0.21 0.59 0.00 0.61 -0.69 0.00 0.00 178.15 178.45 1hr6 n GLY 300 N 1.24 0.66 0.00 5.37 0.00 0.10 -4.50 105.19 108.06 1hr6 n GLY 300 Ca 0.02 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.02 2.61 -2.24 -1.26 -0.69 114.28 111.68 1hr6 n THR 301 Ca 0.00 -0.24 -0.01 0.00 -2.27 0.00 0.00 64.05 61.53 1hr6 n THR 301 Cb 0.00 0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.47 0.44 3.11 3.38 0.00 -1.26 -4.71 105.19 107.62 1hr6 n GLY 302 Ca 0.01 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.01 0.91 0.23 2.61 2.01 -1.26 -5.05 115.64 113.08 1hr6 s THR 303 Ca 0.00 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.96 1hr6 s THR 303 Cb 0.00 -0.86 0.09 0.00 0.01 0.00 0.00 72.50 71.74 1hr6 s THR 303 CO 0.00 -0.11 1.71 -1.13 -0.69 0.00 0.00 174.62 174.40 1hr6 h ASN 304 N 4.84 0.88 -3.60 3.53 -0.73 -2.04 -3.40 115.58 115.06 1hr6 h ASN 304 Ca -0.37 -0.23 -0.64 0.00 1.87 0.00 0.00 56.30 56.93 1hr6 h ASN 304 Cb 1.19 -0.23 -0.37 0.00 0.27 0.00 0.00 38.32 39.17 1hr6 h ASN 304 CO 0.43 0.94 -0.81 -0.44 -0.37 0.00 0.00 177.43 177.18 1hr6 s SER 305 N -6.62 3.85 0.40 1.15 0.01 -1.26 -5.12 113.70 106.12 1hr6 s SER 305 Ca -0.10 -1.11 -0.25 0.00 1.31 0.00 0.00 55.95 55.79 1hr6 s SER 305 Cb 0.14 -1.36 -0.08 0.00 0.21 0.00 0.00 66.02 64.92 1hr6 s SER 305 CO 0.83 -0.17 1.21 -2.84 0.41 0.00 0.00 173.24 172.68 1hr6 s PRO 306 N 1.28 4.03 0.92 12.44 0.02 -1.26 -5.05 135.00 147.37 1hr6 s PRO 306 Ca -0.04 1.93 -0.12 0.00 0.02 0.00 0.00 61.00 62.78 1hr6 s PRO 306 Cb -0.18 -2.70 0.14 0.00 0.02 0.00 0.00 34.50 31.78 1hr6 s PRO 306 CO -0.07 -0.37 1.11 -1.54 -0.33 0.00 0.00 177.00 175.80 1hr6 s SER 307 N -1.02 3.39 0.50 2.53 1.04 -1.26 -4.81 113.70 114.07 1hr6 s SER 307 Ca 0.57 1.18 0.21 0.00 0.48 0.00 0.00 55.95 58.39 1hr6 s SER 307 Cb -0.33 -1.83 1.30 0.00 0.10 0.00 0.00 66.02 65.26 1hr6 s SER 307 CO 0.41 -2.65 2.07 -0.65 0.98 0.00 0.00 173.24 173.41 1hr6 h PRO 308 N -1.56 0.00 -0.08 4.02 0.11 -1.99 -1.64 132.00 130.86 1hr6 h PRO 308 Ca -0.51 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1hr6 h PRO 308 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1hr6 h PRO 308 CO 0.59 0.12 -0.05 1.25 -0.21 0.00 0.00 178.00 179.70 1hr6 h LEU 309 N 0.00 0.18 -0.81 2.35 5.85 -1.91 -0.99 115.31 119.98 1hr6 h LEU 309 Ca -0.00 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1hr6 h LEU 309 Cb 0.25 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1hr6 h LEU 309 CO 0.02 0.57 0.50 0.00 -0.34 0.00 0.00 178.44 179.18 1hr6 h ALA 310 N 0.62 1.04 0.09 1.25 0.00 -1.77 0.11 119.26 120.60 1hr6 h ALA 310 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1hr6 h ALA 310 Cb 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hr6 h ALA 310 CO 0.01 0.50 -0.04 0.28 0.00 0.00 0.00 179.25 180.00 1hr6 h VAL 311 N 1.12 0.96 -0.68 0.00 2.07 -1.28 -1.80 116.25 116.65 1hr6 h VAL 311 Ca 0.29 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1hr6 h VAL 311 Cb -0.05 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1hr6 h VAL 311 CO -0.06 0.04 0.40 0.00 0.02 0.00 0.00 177.57 177.98 1hr6 h ALA 312 N 0.72 0.90 -0.94 1.67 0.00 -0.80 -1.25 119.26 119.56 1hr6 h ALA 312 Ca -0.01 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1hr6 h ALA 312 Cb 0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1hr6 h ALA 312 CO 0.02 0.11 0.58 0.00 0.00 0.00 0.00 179.25 179.97 1hr6 h ALA 313 N 1.33 1.35 0.00 0.00 0.00 -0.52 -1.73 119.26 119.68 1hr6 h ALA 313 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1hr6 h ALA 313 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1hr6 h ALA 313 CO -0.15 0.26 -0.22 -1.13 0.00 0.00 0.00 179.25 178.01 1hr6 n SER 314 N -4.62 0.73 -4.84 0.00 3.41 -0.70 -0.08 113.62 107.53 1hr6 n SER 314 Ca 0.16 0.40 -0.30 0.00 -0.26 0.00 0.00 58.87 58.86 1hr6 n SER 314 Cb 0.26 -0.44 0.07 0.00 -0.26 0.00 0.00 64.21 63.84 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 -3.12 2.55 -0.47 4.33 -0.21 -0.54 -3.81 119.66 118.40 1hr6 s GLN 315 Ca 0.09 0.62 -0.08 0.00 0.02 0.00 0.00 55.36 56.02 1hr6 s GLN 315 Cb 0.13 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 32.18 1hr6 s GLN 315 CO 0.64 -1.29 0.30 0.27 -2.12 0.00 0.00 175.29 173.08 1hr6 n ASN 316 N -3.21 -2.07 0.00 5.90 6.94 -1.26 -1.12 115.26 120.44 1hr6 n ASN 316 Ca 0.07 -0.53 0.00 0.00 -0.02 0.00 0.00 54.58 54.10 1hr6 n ASN 316 Cb 0.56 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 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 -1.24 2.98 0.00 4.83 0.00 -1.26 -4.85 105.19 105.64 1hr6 n GLY 317 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.11 0.00 1.61 3.41 -0.27 -4.95 113.62 113.31 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 0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.17 0.88 -3.87 1.04 4.77 0.88 -4.96 117.00 115.57 1hr6 n LEU 319 Ca 0.00 -0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 55.55 1hr6 n LEU 319 Cb 0.00 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1hr6 n LEU 319 CO 0.00 0.22 0.86 0.00 -1.33 0.00 0.00 177.39 177.14 1hr6 s ALA 320 N -3.04 -1.76 -0.05 -1.18 0.00 -1.26 -4.51 121.76 109.96 1hr6 s ALA 320 Ca 0.07 -0.19 0.11 0.00 0.00 0.00 0.00 51.96 51.95 1hr6 s ALA 320 Cb 0.16 0.75 -0.23 0.00 0.00 0.00 0.00 23.12 23.80 1hr6 s ALA 320 CO 0.86 -1.08 0.64 0.09 0.00 0.00 0.00 175.76 176.27 1hr6 n ASN 321 N -1.10 0.97 -3.60 0.00 3.02 0.95 -4.70 115.26 110.79 1hr6 n ASN 321 Ca -0.02 0.40 -0.03 0.00 -0.03 0.00 0.00 54.58 54.90 1hr6 n ASN 321 Cb 0.60 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.62 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 -6.16 -0.11 0.03 6.41 1.04 -0.78 -0.95 113.70 113.18 1hr6 s SER 322 Ca -0.06 -0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.27 1hr6 s SER 322 Cb 0.08 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 1hr6 s SER 322 CO 0.82 -0.22 0.15 -0.72 0.98 0.00 0.00 173.24 174.25 1hr6 s TYR 323 N -2.37 0.09 -0.09 5.02 -0.85 -0.36 -1.36 117.35 117.42 1hr6 s TYR 323 Ca 0.11 -0.28 -0.04 0.00 -0.52 0.00 0.00 57.07 56.34 1hr6 s TYR 323 Cb 0.00 -0.06 0.05 0.00 0.38 0.00 0.00 41.96 42.33 1hr6 s TYR 323 CO -0.04 -0.36 0.20 1.41 -1.52 0.00 0.00 175.55 175.23 1hr6 s MET 324 N -2.16 0.10 0.30 -3.49 1.75 0.91 -1.23 119.30 115.49 1hr6 s MET 324 Ca -0.08 0.56 -0.27 0.00 -1.25 0.00 0.00 55.69 54.65 1hr6 s MET 324 Cb -0.03 -0.17 -0.10 0.00 2.84 0.00 0.00 34.83 37.37 1hr6 s MET 324 CO -0.02 -0.25 0.94 -1.12 -0.65 0.00 0.00 175.02 173.93 1hr6 s SER 325 N 1.90 7.41 0.03 1.11 0.01 -1.16 0.32 113.70 123.32 1hr6 s SER 325 Ca -0.02 1.86 -0.02 0.00 1.31 0.00 0.00 55.95 59.07 1hr6 s SER 325 Cb -0.12 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1hr6 s SER 325 CO -0.07 -0.01 0.02 0.72 0.41 0.00 0.00 173.24 174.31 1hr6 s PHE 326 N -1.52 0.27 -0.20 2.43 -0.12 0.03 -4.91 117.98 113.97 1hr6 s PHE 326 Ca 0.48 -0.58 -0.04 0.00 -0.05 0.00 0.00 56.93 56.74 1hr6 s PHE 326 Cb -0.20 -0.20 0.09 0.00 -0.63 0.00 0.00 43.02 42.08 1hr6 s PHE 326 CO 0.26 -0.28 0.26 0.45 -0.05 0.00 0.00 175.22 175.86 1hr6 s SER 327 N -1.89 0.94 -0.12 1.98 0.15 -1.26 -0.55 113.70 112.95 1hr6 s SER 327 Ca -0.09 0.03 -0.02 0.00 0.70 0.00 0.00 55.95 56.58 1hr6 s SER 327 Cb -0.04 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.83 1hr6 s SER 327 CO -0.03 -0.30 -0.05 -0.89 1.20 0.00 0.00 173.24 173.16 1hr6 s THR 328 N 2.39 3.82 0.10 6.45 2.01 0.25 -4.97 115.64 125.69 1hr6 s THR 328 Ca 0.07 -0.41 0.10 0.00 0.31 0.00 0.00 61.69 61.77 1hr6 s THR 328 Cb -0.15 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1hr6 s THR 328 CO -0.12 0.54 -0.27 -0.44 -0.69 0.00 0.00 174.62 173.64 1hr6 s SER 329 N -0.14 3.23 0.27 3.53 0.01 -1.26 -0.54 113.70 118.81 1hr6 s SER 329 Ca 0.02 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.63 1hr6 s SER 329 Cb -0.13 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.80 1hr6 s SER 329 CO 0.03 0.20 0.03 -0.31 0.41 0.00 0.00 173.24 173.60 1hr6 s TYR 330 N -0.97 1.74 0.39 2.43 2.02 0.13 -4.84 117.35 118.26 1hr6 s TYR 330 Ca 0.13 -0.96 0.07 0.00 -0.37 0.00 0.00 57.07 55.94 1hr6 s TYR 330 Cb -0.10 -1.06 0.83 0.00 -0.40 0.00 0.00 41.96 41.23 1hr6 s TYR 330 CO 0.05 -0.05 2.01 0.00 -1.57 0.00 0.00 175.55 175.99 1hr6 h ALA 331 N 2.31 1.74 0.00 3.71 0.00 -1.95 -1.51 119.26 123.55 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 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1hr6 h ALA 331 CO 0.66 0.19 -0.01 -0.40 0.00 0.00 0.00 179.25 179.69 1hr6 n ASP 332 N -4.47 1.84 -3.40 0.00 5.68 -1.26 -4.48 116.55 110.45 1hr6 n ASP 332 Ca 0.07 -2.07 -0.04 0.00 -0.50 0.00 0.00 54.79 52.25 1hr6 n ASP 332 Cb 0.16 -0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.19 -0.04 -0.02 -1.12 0.15 -1.20 -4.47 113.70 105.81 1hr6 s SER 333 Ca 0.05 -0.66 -0.29 0.00 0.70 0.00 0.00 55.95 55.75 1hr6 s SER 333 Cb 0.04 0.53 0.10 0.00 -1.71 0.00 0.00 66.02 64.99 1hr6 s SER 333 CO 0.00 -1.04 0.87 -0.83 1.20 0.00 0.00 173.24 173.44 1hr6 s GLY 334 N -3.27 -0.45 -0.02 9.45 0.00 -1.25 0.20 107.32 111.98 1hr6 s GLY 334 Ca 0.19 1.18 0.05 0.00 0.00 0.00 0.00 44.72 46.14 1hr6 s GLY 334 CO 0.05 0.50 -0.18 1.08 0.00 0.00 0.00 173.10 174.55 1hr6 s LEU 335 N -2.15 1.99 -0.02 0.66 1.43 0.30 0.13 118.68 121.01 1hr6 s LEU 335 Ca 0.02 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1hr6 s LEU 335 Cb -0.01 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.29 1hr6 s LEU 335 CO -0.06 0.20 -0.02 0.86 0.23 0.00 0.00 176.35 177.56 1hr6 s TRP 336 N -0.26 0.37 -0.76 0.29 -0.00 -0.86 0.88 118.94 118.61 1hr6 s TRP 336 Ca 0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 56.10 56.09 1hr6 s TRP 336 Cb -0.08 -0.37 0.00 0.00 -0.00 0.00 0.00 33.47 33.01 1hr6 s TRP 336 CO 0.00 -0.09 0.00 0.41 -0.00 0.00 0.00 176.95 177.27 1hr6 n GLY 337 N 3.73 -0.71 3.03 5.86 0.00 0.29 -1.47 105.19 115.92 1hr6 n GLY 337 Ca -0.22 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.31 1.28 -0.19 1.61 1.75 -0.42 -0.79 119.30 122.24 1hr6 s MET 338 Ca 0.00 -0.39 -0.05 0.00 -1.25 0.00 0.00 55.69 54.01 1hr6 s MET 338 Cb 0.00 -1.14 -0.02 0.00 2.84 0.00 0.00 34.83 36.51 1hr6 s MET 338 CO 0.00 0.12 -0.01 -0.47 -0.65 0.00 0.00 175.02 174.02 1hr6 s TYR 339 N 0.26 3.04 -0.03 4.11 5.04 0.15 -1.48 117.35 128.44 1hr6 s TYR 339 Ca -0.06 -0.42 0.07 0.00 -2.44 0.00 0.00 57.07 54.22 1hr6 s TYR 339 Cb -0.11 -2.06 -0.02 0.00 0.35 0.00 0.00 41.96 40.13 1hr6 s TYR 339 CO 0.01 -0.20 -0.25 0.42 -1.34 0.00 0.00 175.55 174.20 1hr6 s ILE 340 N 0.86 2.00 -0.14 3.14 1.01 0.31 -0.06 121.20 128.32 1hr6 s ILE 340 Ca 0.01 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1hr6 s ILE 340 Cb -0.14 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.68 1hr6 s ILE 340 CO 0.02 0.56 -0.17 -0.69 0.00 0.00 0.00 174.94 174.66 1hr6 s VAL 341 N -0.50 1.69 0.33 2.92 1.01 -0.46 -0.52 120.40 124.88 1hr6 s VAL 341 Ca 0.07 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1hr6 s VAL 341 Cb -0.11 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 1hr6 s VAL 341 CO 0.00 0.48 -0.04 0.42 0.00 0.00 0.00 175.10 175.96 1hr6 s THR 342 N 1.18 1.85 -0.27 3.92 -4.23 0.19 -0.04 115.64 118.25 1hr6 s THR 342 Ca -0.01 -2.11 -0.27 0.00 -1.18 0.00 0.00 61.69 58.11 1hr6 s THR 342 Cb -0.14 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.05 1hr6 s THR 342 CO -0.06 -0.17 0.96 -0.62 -0.54 0.00 0.00 174.62 174.19 1hr6 s ASP 343 N -3.55 6.93 0.55 3.99 -1.08 -1.26 -0.16 116.67 122.08 1hr6 s ASP 343 Ca 0.32 1.11 0.27 0.00 -0.52 0.00 0.00 52.55 53.74 1hr6 s ASP 343 Cb 0.05 -2.50 1.45 0.00 -1.46 0.00 0.00 42.92 40.46 1hr6 s ASP 343 CO 0.15 -0.68 1.97 0.28 0.52 0.00 0.00 175.17 177.41 1hr6 h SER 344 N 7.76 0.00 0.00 -0.34 0.02 -0.98 -2.23 113.55 117.78 1hr6 h SER 344 Ca -0.21 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.43 1hr6 h SER 344 Cb 1.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.55 1hr6 h SER 344 CO 0.95 0.00 -2.24 0.59 -1.14 0.00 0.00 176.83 174.99 1hr6 n ASN 345 N -4.19 0.44 0.00 3.07 3.02 -1.26 -4.70 115.26 111.65 1hr6 n ASN 345 Ca 0.10 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.71 1hr6 n ASN 345 Cb 0.64 1.02 -0.12 0.00 -0.61 0.00 0.00 39.78 40.72 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 -2.65 0.65 -4.48 3.52 4.71 -1.06 -4.99 120.64 116.34 1hr6 n GLU 346 Ca -0.28 -0.03 -0.34 0.00 -0.01 0.00 0.00 57.16 56.50 1hr6 n GLU 346 Cb 1.06 -1.63 -0.10 0.00 -1.01 0.00 0.00 31.44 29.75 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 -3.21 3.06 -0.66 -0.32 3.76 -0.86 -5.01 115.29 112.06 1hr6 s HIS 347 Ca -0.06 0.10 -0.19 0.00 -0.15 0.00 0.00 55.06 54.76 1hr6 s HIS 347 Cb 0.11 -1.77 0.11 0.00 1.11 0.00 0.00 32.58 32.15 1hr6 s HIS 347 CO 0.85 0.39 0.78 1.21 -0.85 0.00 0.00 174.74 177.12 1hr6 s ASN 348 N -0.79 6.28 0.33 1.40 3.84 -1.26 -4.89 114.94 119.86 1hr6 s ASN 348 Ca 0.12 -1.58 0.11 0.00 0.21 0.00 0.00 52.86 51.72 1hr6 s ASN 348 Cb -0.11 -2.31 1.01 0.00 -0.55 0.00 0.00 41.25 39.28 1hr6 s ASN 348 CO 0.02 -1.09 1.63 0.58 -2.79 0.00 0.00 177.10 175.45 1hr6 h VAL 349 N 5.82 0.19 -0.96 -5.21 2.07 -1.88 0.42 116.25 116.70 1hr6 h VAL 349 Ca -0.21 -0.06 0.25 0.00 0.82 0.00 0.00 66.70 67.50 1hr6 h VAL 349 Cb 1.07 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.72 1hr6 h VAL 349 CO 1.08 0.03 0.51 -0.09 0.02 0.00 0.00 177.57 179.12 1hr6 h ARG 350 N 0.17 0.44 -0.48 1.57 1.12 -1.88 -0.70 114.38 114.62 1hr6 h ARG 350 Ca 0.70 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 59.46 1hr6 h ARG 350 Cb 1.61 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 31.45 1hr6 h ARG 350 CO -0.70 0.29 -0.02 -0.07 -3.11 0.00 0.00 179.97 176.36 1hr6 h LEU 351 N 0.46 0.78 0.08 3.80 3.38 -1.25 -0.79 115.31 121.77 1hr6 h LEU 351 Ca 0.63 -0.20 -0.25 0.00 0.09 0.00 0.00 57.88 58.15 1hr6 h LEU 351 Cb 1.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1hr6 h LEU 351 CO -0.53 0.86 -1.15 -0.29 0.09 0.00 0.00 178.44 177.42 1hr6 h ILE 352 N 0.75 1.58 -0.75 1.22 6.09 -1.26 -3.00 117.51 122.14 1hr6 h ILE 352 Ca 0.14 -3.20 -0.03 0.00 -1.37 0.00 0.00 64.86 60.41 1hr6 h ILE 352 Cb 0.48 2.91 -0.03 0.00 0.47 0.00 0.00 36.82 40.65 1hr6 h ILE 352 CO 0.02 0.93 0.36 0.58 -3.07 0.00 0.00 178.15 176.97 1hr6 h VAL 353 N 0.05 1.24 -0.60 2.19 2.07 -1.05 -1.83 116.25 118.32 1hr6 h VAL 353 Ca -0.09 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 66.83 1hr6 h VAL 353 Cb 1.90 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 1hr6 h VAL 353 CO 0.18 0.29 0.26 0.78 0.02 0.00 0.00 177.57 179.10 1hr6 h ASN 354 N 1.06 0.32 -0.35 0.57 -0.26 -1.08 -0.99 115.58 114.84 1hr6 h ASN 354 Ca 0.26 0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.99 1hr6 h ASN 354 Cb 0.12 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1hr6 h ASN 354 CO -0.03 0.20 0.00 -0.33 -1.06 0.00 0.00 177.43 176.21 1hr6 h GLU 355 N 0.48 0.71 -0.35 0.81 4.39 -1.32 0.49 114.58 119.79 1hr6 h GLU 355 Ca 0.29 -0.18 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 1hr6 h GLU 355 Cb 0.30 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1hr6 h GLU 355 CO -0.26 0.72 -0.31 0.82 -1.16 0.00 0.00 179.01 178.83 1hr6 h ILE 356 N 0.67 1.29 -0.59 3.13 2.04 -0.48 -1.14 117.51 122.43 1hr6 h ILE 356 Ca 0.14 -1.47 -0.09 0.00 1.00 0.00 0.00 64.86 64.43 1hr6 h ILE 356 Cb 0.41 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1hr6 h ILE 356 CO 0.02 0.48 0.01 -0.07 0.00 0.00 0.00 178.15 178.59 1hr6 h LEU 357 N 0.61 1.00 -1.30 1.44 3.38 -0.96 -0.86 115.31 118.61 1hr6 h LEU 357 Ca 0.06 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1hr6 h LEU 357 Cb 0.88 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1hr6 h LEU 357 CO 0.08 1.05 0.38 0.50 0.09 0.00 0.00 178.44 180.54 1hr6 h LYS 358 N 0.94 0.86 -0.27 1.13 3.64 -0.63 -0.01 116.57 122.24 1hr6 h LYS 358 Ca 0.17 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.31 1hr6 h LYS 358 Cb 0.53 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1hr6 h LYS 358 CO 0.03 0.60 -0.52 1.49 -2.27 0.00 0.00 179.45 178.78 1hr6 h GLU 359 N 0.88 0.76 -0.26 1.90 4.57 -0.66 -0.29 114.58 121.47 1hr6 h GLU 359 Ca 0.23 -0.46 -0.09 0.00 -1.18 0.00 0.00 59.36 57.86 1hr6 h GLU 359 Cb -0.04 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1hr6 h GLU 359 CO -0.04 1.09 -0.21 -1.49 -1.18 0.00 0.00 179.01 177.18 1hr6 h TRP 360 N 0.59 0.52 -0.01 0.92 6.55 -0.45 -2.49 115.95 121.58 1hr6 h TRP 360 Ca 0.02 -0.10 -0.14 0.00 0.95 0.00 0.00 58.89 59.63 1hr6 h TRP 360 Cb 1.10 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 29.25 1hr6 h TRP 360 CO 0.06 0.65 -0.64 0.87 -1.05 0.00 0.00 178.44 178.34 1hr6 h LYS 361 N 0.42 0.03 -0.59 0.49 1.57 -0.69 -1.32 116.57 116.48 1hr6 h LYS 361 Ca 0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1hr6 h LYS 361 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1hr6 h LYS 361 CO 0.04 0.65 0.34 -0.09 -0.57 0.00 0.00 179.45 179.83 1hr6 h ARG 362 N 0.02 0.82 -0.11 3.15 2.43 -0.62 0.10 114.38 120.17 1hr6 h ARG 362 Ca -0.01 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1hr6 h ARG 362 Cb 1.13 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1hr6 h ARG 362 CO 0.08 0.60 0.00 0.82 -1.51 0.00 0.00 179.97 179.97 1hr6 h ILE 363 N 0.80 1.24 -0.72 1.20 2.04 -1.17 -2.50 117.51 118.41 1hr6 h ILE 363 Ca 0.21 -0.77 0.09 0.00 1.00 0.00 0.00 64.86 65.38 1hr6 h ILE 363 Cb 0.01 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1hr6 h ILE 363 CO -0.04 0.22 0.47 0.11 0.00 0.00 0.00 178.15 178.92 1hr6 h LYS 364 N -0.07 0.63 -0.00 2.37 1.57 -0.89 0.15 116.57 120.33 1hr6 h LYS 364 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1hr6 h LYS 364 Cb 0.34 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1hr6 h LYS 364 CO 0.00 0.42 0.00 -1.13 -0.57 0.00 0.00 179.45 178.17 1hr6 n SER 365 N -4.49 0.08 0.00 0.86 3.41 0.33 -4.86 113.62 108.95 1hr6 n SER 365 Ca 0.11 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 1hr6 n SER 365 Cb 0.31 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.99 1.93 2.50 5.00 0.00 0.51 -4.94 105.19 111.19 1hr6 n GLY 366 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 2.03 -4.54 1.61 4.01 -0.97 -4.83 118.16 113.47 1hr6 n LYS 367 Ca 0.00 -1.34 -0.21 0.00 -0.51 0.00 0.00 58.31 56.25 1hr6 n LYS 367 Cb 0.00 -2.34 -0.15 0.00 -0.51 0.00 0.00 35.03 32.03 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 2.98 0.97 0.67 -0.18 -4.36 -1.26 -4.83 121.20 115.19 1hr6 s ILE 368 Ca 0.42 -0.55 -0.11 0.00 -0.26 0.00 0.00 60.65 60.15 1hr6 s ILE 368 Cb 0.13 -0.82 -0.01 0.00 1.25 0.00 0.00 42.46 43.01 1hr6 s ILE 368 CO -0.03 0.26 1.05 -0.94 0.24 0.00 0.00 174.94 175.52 1hr6 s SER 369 N -0.33 5.69 0.26 4.36 1.04 -1.26 -4.95 113.70 118.51 1hr6 s SER 369 Ca 0.05 1.52 -0.03 0.00 0.48 0.00 0.00 55.95 57.97 1hr6 s SER 369 Cb -0.05 -2.46 0.33 0.00 0.10 0.00 0.00 66.02 63.94 1hr6 s SER 369 CO -0.00 -1.23 1.79 0.44 0.98 0.00 0.00 173.24 175.21 1hr6 h ASP 370 N -0.57 0.84 0.05 7.02 3.32 -2.00 -2.64 116.42 122.44 1hr6 h ASP 370 Ca -0.44 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.46 1hr6 h ASP 370 Cb 1.20 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1hr6 h ASP 370 CO 0.59 0.83 -0.10 0.00 -1.72 0.00 0.00 179.24 178.84 1hr6 h ALA 371 N 1.27 -0.15 0.00 3.45 0.00 -1.99 0.00 119.26 121.85 1hr6 h ALA 371 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1hr6 h ALA 371 Cb 0.34 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1hr6 h ALA 371 CO 0.00 -0.61 -0.16 1.05 0.00 0.00 0.00 179.25 179.54 1hr6 h GLU 372 N -0.20 0.00 -0.18 0.00 4.11 -1.90 -0.17 114.58 116.24 1hr6 h GLU 372 Ca 0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.33 1hr6 h GLU 372 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1hr6 h GLU 372 CO -0.06 0.16 -0.34 0.28 0.07 0.00 0.00 179.01 179.12 1hr6 h VAL 373 N 0.00 1.34 -0.37 -1.06 2.07 -1.06 -1.92 116.25 115.24 1hr6 h VAL 373 Ca -0.00 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 1hr6 h VAL 373 Cb 0.49 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1hr6 h VAL 373 CO 0.02 0.48 -0.08 0.78 0.02 0.00 0.00 177.57 178.79 1hr6 h ASN 374 N 0.20 0.61 -0.17 0.57 -0.26 -0.52 -0.54 115.58 115.47 1hr6 h ASN 374 Ca 0.01 -0.16 -0.02 0.00 -0.56 0.00 0.00 56.30 55.57 1hr6 h ASN 374 Cb 0.93 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 38.02 1hr6 h ASN 374 CO 0.08 0.73 0.03 -0.09 -1.06 0.00 0.00 177.43 177.12 1hr6 h ARG 375 N 0.59 0.27 -0.70 0.81 2.43 -1.00 -1.11 114.38 115.68 1hr6 h ARG 375 Ca 0.11 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1hr6 h ARG 375 Cb 0.49 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1hr6 h ARG 375 CO 0.03 0.43 0.44 0.00 -1.51 0.00 0.00 179.97 179.36 1hr6 h ALA 376 N 0.83 0.91 -0.41 2.80 0.00 -1.03 0.54 119.26 122.89 1hr6 h ALA 376 Ca 0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1hr6 h ALA 376 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1hr6 h ALA 376 CO 0.00 0.22 -0.11 0.87 0.00 0.00 0.00 179.25 180.23 1hr6 h LYS 377 N 0.86 0.73 -0.33 0.00 1.57 -0.93 -0.05 116.57 118.41 1hr6 h LYS 377 Ca 0.28 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1hr6 h LYS 377 Cb 0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1hr6 h LYS 377 CO -0.10 0.81 -0.02 0.00 -0.57 0.00 0.00 179.45 179.57 1hr6 h ALA 378 N 1.22 0.45 -0.13 3.86 0.00 -0.65 0.01 119.26 124.01 1hr6 h ALA 378 Ca 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1hr6 h ALA 378 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1hr6 h ALA 378 CO 0.04 0.23 0.04 0.37 0.00 0.00 0.00 179.25 179.92 1hr6 h GLN 379 N 0.40 0.10 -0.07 0.00 4.15 -0.57 -1.97 115.11 117.14 1hr6 h GLN 379 Ca 0.09 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1hr6 h GLN 379 Cb 0.48 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1hr6 h GLN 379 CO 0.02 0.06 0.01 1.25 -1.93 0.00 0.00 178.83 178.24 1hr6 h LEU 380 N 0.10 -0.02 -0.59 -2.39 5.85 -0.86 -0.44 115.31 116.96 1hr6 h LEU 380 Ca 0.06 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1hr6 h LEU 380 Cb 0.04 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1hr6 h LEU 380 CO -0.06 0.00 0.19 0.11 -0.34 0.00 0.00 178.44 178.34 1hr6 h LYS 381 N 0.03 0.33 -0.24 1.25 1.57 -0.87 -0.04 116.57 118.62 1hr6 h LYS 381 Ca 0.03 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1hr6 h LYS 381 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1hr6 h LYS 381 CO -0.05 0.22 0.10 0.00 -0.57 0.00 0.00 179.45 179.15 1hr6 h ALA 382 N 1.43 0.30 -0.90 3.86 0.00 -1.00 0.22 119.26 123.18 1hr6 h ALA 382 Ca 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1hr6 h ALA 382 Cb 0.41 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1hr6 h ALA 382 CO -0.34 -0.11 0.52 0.00 0.00 0.00 0.00 179.25 179.32 1hr6 h ALA 383 N 0.95 1.22 0.00 0.00 0.00 -0.55 -1.44 119.26 119.44 1hr6 h ALA 383 Ca 0.08 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1hr6 h ALA 383 Cb 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1hr6 h ALA 383 CO -0.01 0.65 -1.11 -0.07 0.00 0.00 0.00 179.25 178.71 1hr6 h LEU 384 N 1.25 0.02 0.00 0.00 3.38 -0.88 -3.39 115.31 115.69 1hr6 h LEU 384 Ca 0.32 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 58.07 1hr6 h LEU 384 Cb -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1hr6 h LEU 384 CO -0.06 1.01 -1.73 0.18 0.09 0.00 0.00 178.44 177.94 1hr6 n LEU 385 N -3.31 2.17 0.03 1.67 4.77 0.75 -4.41 117.00 118.67 1hr6 n LEU 385 Ca -0.03 0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1hr6 n LEU 385 Cb 0.96 -0.42 0.38 0.00 -2.33 0.00 0.00 43.42 42.01 1hr6 n LEU 385 CO 0.47 0.54 0.78 0.18 -1.33 0.00 0.00 177.39 178.03 1hr6 n LEU 386 N -3.16 0.18 0.11 2.23 4.77 -0.56 -1.98 117.00 118.59 1hr6 n LEU 386 Ca -0.24 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1hr6 n LEU 386 Cb 0.72 -0.51 0.12 0.00 -2.33 0.00 0.00 43.42 41.42 1hr6 n LEU 386 CO 0.08 -0.30 0.34 0.77 -1.33 0.00 0.00 177.39 176.95 1hr6 h SER 387 N 0.00 0.00 0.00 -1.43 4.64 -1.74 -3.39 113.55 111.63 1hr6 h SER 387 Ca 0.00 -0.08 -0.68 0.00 -0.47 0.00 0.00 61.79 60.56 1hr6 h SER 387 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1hr6 h SER 387 CO 0.00 0.04 2.88 0.18 -0.87 0.00 0.00 176.83 179.06 1hr6 n LEU 388 N -2.49 5.96 -0.05 5.97 4.77 -0.84 -4.61 117.00 125.70 1hr6 n LEU 388 Ca 0.02 -3.68 -0.05 0.00 -0.03 0.00 0.00 56.01 52.27 1hr6 n LEU 388 Cb 0.49 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 1hr6 n LEU 388 CO 0.37 0.65 -0.40 -0.67 -1.33 0.00 0.00 177.39 176.01 1hr6 n ASP 389 N 6.36 1.18 -4.31 -1.43 -0.08 -1.26 -4.83 116.55 112.17 1hr6 n ASP 389 Ca 0.52 0.23 -0.28 0.00 -1.51 0.00 0.00 54.79 53.75 1hr6 n ASP 389 Cb 0.38 -0.65 0.16 0.00 2.34 0.00 0.00 41.12 43.34 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 -4.11 1.76 0.36 0.27 0.00 -1.26 -4.88 107.32 99.46 1hr6 s GLY 390 Ca -0.17 -1.25 0.06 0.00 0.00 0.00 0.00 44.72 43.35 1hr6 s GLY 390 CO 0.25 -0.55 1.92 1.48 0.00 0.00 0.00 173.10 176.20 1hr6 h SER 391 N -1.36 0.44 0.10 1.64 4.64 -1.96 -1.97 113.55 115.08 1hr6 h SER 391 Ca -0.43 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1hr6 h SER 391 Cb 1.25 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1hr6 h SER 391 CO 0.41 0.48 -0.05 0.74 -0.87 0.00 0.00 176.83 177.55 1hr6 h THR 392 N 0.47 1.00 -0.87 2.95 2.02 -1.91 0.42 112.91 116.99 1hr6 h THR 392 Ca 0.11 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1hr6 h THR 392 Cb 0.25 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1hr6 h THR 392 CO 0.00 0.09 0.45 0.00 0.37 0.00 0.00 175.52 176.43 1hr6 h ALA 393 N 0.58 1.15 -0.47 6.16 0.00 -1.88 -0.41 119.26 124.39 1hr6 h ALA 393 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1hr6 h ALA 393 Cb 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1hr6 h ALA 393 CO 0.02 0.66 0.05 0.82 0.00 0.00 0.00 179.25 180.80 1hr6 h ILE 394 N 1.23 1.25 -0.61 0.00 2.04 -1.09 -1.02 117.51 119.32 1hr6 h ILE 394 Ca 0.30 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1hr6 h ILE 394 Cb 0.07 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1hr6 h ILE 394 CO -0.04 0.34 0.30 0.58 0.00 0.00 0.00 178.15 179.33 1hr6 h VAL 395 N 0.67 1.21 -0.69 1.67 2.07 0.06 0.81 116.25 122.04 1hr6 h VAL 395 Ca 0.14 -0.58 0.11 0.00 0.82 0.00 0.00 66.70 67.19 1hr6 h VAL 395 Cb 0.44 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 1hr6 h VAL 395 CO 0.01 0.24 0.29 -0.08 0.02 0.00 0.00 177.57 178.05 1hr6 h GLU 396 N 0.83 0.46 -0.22 1.57 4.57 -0.72 0.30 114.58 121.36 1hr6 h GLU 396 Ca 0.21 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.20 1hr6 h GLU 396 Cb 0.10 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1hr6 h GLU 396 CO -0.03 0.30 -0.50 0.22 -1.18 0.00 0.00 179.01 177.82 1hr6 h ASP 397 N 0.47 0.83 0.75 1.04 3.58 -0.36 -1.92 116.42 120.80 1hr6 h ASP 397 Ca 0.36 -0.56 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 1hr6 h ASP 397 Cb 0.48 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.30 1hr6 h ASP 397 CO -0.34 1.23 -0.36 0.40 -2.88 0.00 0.00 179.24 177.29 1hr6 h ILE 398 N 0.45 0.24 -0.02 2.25 2.04 -0.37 -1.89 117.51 120.21 1hr6 h ILE 398 Ca -0.00 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1hr6 h ILE 398 Cb 1.11 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1hr6 h ILE 398 CO 0.11 0.01 -0.14 1.23 0.00 0.00 0.00 178.15 179.36 1hr6 h GLY 399 N -1.04 -0.15 0.97 5.37 0.00 -0.47 -1.08 103.07 106.66 1hr6 h GLY 399 Ca -0.10 0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1hr6 h GLY 399 CO 0.17 -0.14 0.15 -0.09 0.00 0.00 0.00 176.54 176.63 1hr6 h ARG 400 N -0.22 0.76 -0.18 4.80 2.43 -1.41 0.15 114.38 120.72 1hr6 h ARG 400 Ca 0.06 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1hr6 h ARG 400 Cb 0.29 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1hr6 h ARG 400 CO -0.15 0.72 0.11 1.96 -1.51 0.00 0.00 179.97 181.09 1hr6 h GLN 401 N 0.66 0.25 -0.06 0.20 4.20 -1.16 -1.74 115.11 117.46 1hr6 h GLN 401 Ca 0.16 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1hr6 h GLN 401 Cb 0.27 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1hr6 h GLN 401 CO -0.00 0.22 -0.04 0.28 -0.67 0.00 0.00 178.83 178.62 1hr6 h VAL 402 N 0.21 1.33 0.00 -0.54 2.07 -1.10 0.13 116.25 118.35 1hr6 h VAL 402 Ca 0.06 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1hr6 h VAL 402 Cb 0.04 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1hr6 h VAL 402 CO -0.01 0.29 -0.08 1.62 0.02 0.00 0.00 177.57 179.41 1hr6 h VAL 403 N -0.25 0.80 -0.00 2.57 3.04 -0.96 0.50 116.25 121.95 1hr6 h VAL 403 Ca 0.01 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1hr6 h VAL 403 Cb 0.49 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1hr6 h VAL 403 CO 0.01 0.08 -0.65 0.35 -1.01 0.00 0.00 177.57 176.35 1hr6 n THR 404 N -4.08 0.00 0.00 3.17 -2.24 -0.66 -4.70 114.28 105.78 1hr6 n THR 404 Ca -0.03 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1hr6 n THR 404 Cb 0.16 1.06 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 -1.00 0.00 -0.23 4.28 -1.04 0.45 -4.70 114.28 112.05 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 0.29 0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 1.03 1.06 3.50 3.41 0.00 0.17 -3.91 105.19 110.46 1hr6 n GLY 406 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.54 1.35 -0.25 1.61 -2.85 -1.25 -4.90 119.74 112.92 1hr6 s LYS 407 Ca 0.00 -0.83 -0.00 0.00 -1.00 0.00 0.00 55.97 54.14 1hr6 s LYS 407 Cb 0.00 0.52 0.04 0.00 -2.06 0.00 0.00 37.83 36.33 1hr6 s LYS 407 CO 0.00 -0.57 -0.09 0.50 0.10 0.00 0.00 175.35 175.29 1hr6 s ARG 408 N -3.86 2.66 0.10 1.78 3.00 -1.26 -3.32 118.95 118.05 1hr6 s ARG 408 Ca 0.08 -1.08 -0.31 0.00 -1.00 0.00 0.00 55.73 53.42 1hr6 s ARG 408 Cb -0.01 -2.92 -0.07 0.00 0.00 0.00 0.00 34.95 31.96 1hr6 s ARG 408 CO -0.04 -0.44 1.25 -0.51 0.00 0.00 0.00 175.30 175.56 1hr6 s LEU 409 N 1.25 4.38 0.78 -0.88 1.43 -1.26 -5.00 118.68 119.38 1hr6 s LEU 409 Ca -0.02 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1hr6 s LEU 409 Cb -0.17 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.52 1hr6 s LEU 409 CO -0.06 -0.50 1.08 -0.94 0.23 0.00 0.00 176.35 176.17 1hr6 s SER 410 N 0.91 4.60 0.21 2.29 1.04 -1.26 -4.73 113.70 116.75 1hr6 s SER 410 Ca 0.59 1.51 -0.10 0.00 0.48 0.00 0.00 55.95 58.43 1hr6 s SER 410 Cb -0.32 -2.28 0.28 0.00 0.10 0.00 0.00 66.02 63.80 1hr6 s SER 410 CO 0.31 -1.93 1.69 -0.65 0.98 0.00 0.00 173.24 173.64 1hr6 h PRO 411 N -1.06 0.21 -0.84 4.02 0.11 -1.99 0.26 132.00 132.71 1hr6 h PRO 411 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1hr6 h PRO 411 Cb 1.25 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1hr6 h PRO 411 CO 0.56 0.14 0.41 0.93 -0.21 0.00 0.00 178.00 179.83 1hr6 h GLU 412 N 0.21 1.20 -0.32 1.05 3.07 -1.99 0.17 114.58 117.97 1hr6 h GLU 412 Ca 0.31 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.95 1hr6 h GLU 412 Cb 0.47 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1hr6 h GLU 412 CO -0.42 0.92 0.04 0.93 -1.40 0.00 0.00 179.01 179.07 1hr6 h GLU 413 N 1.19 0.55 -0.62 2.33 5.08 -1.51 -2.00 114.58 119.61 1hr6 h GLU 413 Ca 0.29 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1hr6 h GLU 413 Cb 0.11 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1hr6 h GLU 413 CO -0.04 0.65 0.41 0.28 -1.00 0.00 0.00 179.01 179.31 1hr6 h VAL 414 N 0.37 1.15 -0.42 3.13 2.07 0.01 0.88 116.25 123.44 1hr6 h VAL 414 Ca 0.10 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1hr6 h VAL 414 Cb 0.38 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1hr6 h VAL 414 CO 0.01 0.15 0.01 0.15 0.02 0.00 0.00 177.57 177.91 1hr6 h PHE 415 N 0.83 -0.01 -0.25 1.57 3.04 -0.53 -1.19 116.94 120.39 1hr6 h PHE 415 Ca 0.23 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.22 1hr6 h PHE 415 Cb -0.08 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 1hr6 h PHE 415 CO -0.03 -0.08 0.15 1.49 -2.02 0.00 0.00 178.31 177.81 1hr6 h GLU 416 N 0.11 0.29 -0.45 1.11 4.57 -0.58 0.28 114.58 119.93 1hr6 h GLU 416 Ca 0.21 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.45 1hr6 h GLU 416 Cb 0.29 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1hr6 h GLU 416 CO -0.34 0.20 0.30 1.96 -1.18 0.00 0.00 179.01 179.95 1hr6 h GLN 417 N 0.30 0.27 0.12 1.92 1.08 0.01 -2.21 115.11 116.59 1hr6 h GLN 417 Ca 0.10 -0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 57.03 1hr6 h GLN 417 Cb -0.01 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1hr6 h GLN 417 CO -0.04 0.18 -1.27 0.28 -0.95 0.00 0.00 178.83 177.03 1hr6 h VAL 418 N 0.27 1.14 -0.82 -0.54 2.07 -0.49 -3.35 116.25 114.53 1hr6 h VAL 418 Ca 0.20 -2.42 0.19 0.00 0.82 0.00 0.00 66.70 65.49 1hr6 h VAL 418 Cb 0.44 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.97 1hr6 h VAL 418 CO -0.04 0.69 0.56 -0.78 0.02 0.00 0.00 177.57 178.02 1hr6 h ASP 419 N -0.35 0.30 0.55 0.57 3.58 -0.19 -1.51 116.42 119.37 1hr6 h ASP 419 Ca -0.27 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1hr6 h ASP 419 Cb 1.71 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.73 1hr6 h ASP 419 CO 0.07 0.13 -0.08 2.29 -2.88 0.00 0.00 179.24 178.77 1hr6 n LYS 420 N -4.45 0.43 -1.82 0.28 2.85 -0.86 -4.90 118.16 109.69 1hr6 n LYS 420 Ca 0.17 -0.09 -0.41 0.00 -1.05 0.00 0.00 58.31 56.93 1hr6 n LYS 420 Cb 0.68 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.56 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 -2.63 2.13 0.30 0.58 1.01 -0.57 -5.01 121.20 117.01 1hr6 s ILE 421 Ca 0.25 0.12 0.10 0.00 0.00 0.00 0.00 60.65 61.12 1hr6 s ILE 421 Cb 0.20 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1hr6 s ILE 421 CO 0.49 0.02 -0.05 0.42 0.00 0.00 0.00 174.94 175.83 1hr6 s THR 422 N -0.50 2.88 0.41 2.92 -4.23 -1.26 -4.99 115.64 110.86 1hr6 s THR 422 Ca 0.58 -2.07 0.13 0.00 -1.18 0.00 0.00 61.69 59.16 1hr6 s THR 422 Cb -0.46 -2.68 0.34 0.00 1.34 0.00 0.00 72.50 71.03 1hr6 s THR 422 CO 0.54 -0.31 1.91 0.50 -0.54 0.00 0.00 174.62 176.72 1hr6 h LYS 423 N 1.96 0.49 -0.31 3.99 3.64 -1.98 -0.33 116.57 124.02 1hr6 h LYS 423 Ca -0.43 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 58.77 1hr6 h LYS 423 Cb 1.25 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1hr6 h LYS 423 CO 0.63 0.32 -0.41 0.22 -2.27 0.00 0.00 179.45 177.94 1hr6 h ASP 424 N 0.50 0.90 -0.55 4.20 3.58 -1.99 -1.44 116.42 121.63 1hr6 h ASP 424 Ca 0.38 -0.50 0.06 0.00 0.42 0.00 0.00 57.03 57.40 1hr6 h ASP 424 Cb 0.78 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 1hr6 h ASP 424 CO -0.14 1.22 0.25 0.44 -2.88 0.00 0.00 179.24 178.13 1hr6 h ASP 425 N 0.61 0.32 -0.00 2.28 3.32 -1.47 0.29 116.42 121.76 1hr6 h ASP 425 Ca 0.04 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1hr6 h ASP 425 Cb 1.00 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1hr6 h ASP 425 CO 0.10 0.21 0.00 0.40 -1.72 0.00 0.00 179.24 178.23 1hr6 h ILE 426 N 0.47 1.15 -0.89 0.35 2.04 -1.21 -0.08 117.51 119.34 1hr6 h ILE 426 Ca 0.26 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.74 1hr6 h ILE 426 Cb 0.23 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 1hr6 h ILE 426 CO -0.21 0.11 0.56 0.40 0.00 0.00 0.00 178.15 179.01 1hr6 h ILE 427 N -0.17 1.07 0.08 -0.67 2.04 -0.96 -0.94 117.51 117.95 1hr6 h ILE 427 Ca 0.00 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1hr6 h ILE 427 Cb 0.18 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1hr6 h ILE 427 CO -0.00 0.19 -0.04 0.24 0.00 0.00 0.00 178.15 178.54 1hr6 h MET 428 N 1.04 -0.10 -0.95 2.37 2.86 -0.70 -1.96 114.93 117.49 1hr6 h MET 428 Ca 0.38 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.04 1hr6 h MET 428 Cb 0.13 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1hr6 h MET 428 CO -0.16 -0.07 0.63 2.35 1.06 0.00 0.00 176.91 180.73 1hr6 h TRP 429 N -0.11 1.20 -0.26 -0.22 7.01 -0.50 -1.09 115.95 121.98 1hr6 h TRP 429 Ca -0.01 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.88 1hr6 h TRP 429 Cb 0.08 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 26.73 1hr6 h TRP 429 CO -0.07 0.75 -0.41 0.00 -2.79 0.00 0.00 178.44 175.91 1hr6 h ALA 430 N 1.41 0.80 0.00 2.65 0.00 -1.03 -0.90 119.26 122.19 1hr6 h ALA 430 Ca 0.35 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1hr6 h ALA 430 Cb -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1hr6 h ALA 430 CO -0.08 0.65 -0.37 -0.91 0.00 0.00 0.00 179.25 178.54 1hr6 h ASN 431 N 0.50 0.00 0.03 0.00 2.35 -0.84 0.37 115.58 118.00 1hr6 h ASN 431 Ca 0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1hr6 h ASN 431 Cb 0.93 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.30 1hr6 h ASN 431 CO 0.08 0.37 -0.44 0.22 -1.65 0.00 0.00 177.43 176.01 1hr6 h TYR 432 N 0.00 0.13 0.00 1.19 3.20 -1.02 -3.33 116.97 117.14 1hr6 h TYR 432 Ca -0.00 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.64 1hr6 h TYR 432 Cb 0.85 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1hr6 h TYR 432 CO 0.00 1.17 -0.78 0.00 -1.64 0.00 0.00 178.16 176.92 1hr6 h ARG 433 N -0.83 0.00 -0.16 1.82 2.47 -1.16 -3.37 114.38 113.15 1hr6 h ARG 433 Ca -0.10 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.58 1hr6 h ARG 433 Cb 1.22 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.52 1hr6 h ARG 433 CO 0.00 0.46 -0.08 1.28 0.56 0.00 0.00 179.97 182.19 1hr6 n LEU 434 N -3.14 3.29 -3.89 3.04 4.77 0.13 -4.75 117.00 116.45 1hr6 n LEU 434 Ca -0.01 -3.33 -0.23 0.00 -0.03 0.00 0.00 56.01 52.40 1hr6 n LEU 434 Cb 0.77 -0.53 -0.17 0.00 -2.33 0.00 0.00 43.42 41.17 1hr6 n LEU 434 CO 0.41 0.92 -0.42 -1.58 -1.33 0.00 0.00 177.39 175.39 1hr6 s GLN 435 N -3.00 1.13 -1.41 3.23 2.00 -1.25 -4.69 119.66 115.67 1hr6 s GLN 435 Ca 0.39 -0.16 -0.03 0.00 -2.00 0.00 0.00 55.36 53.56 1hr6 s GLN 435 Cb 0.34 -1.18 0.02 0.00 0.80 0.00 0.00 33.01 33.00 1hr6 s GLN 435 CO 0.03 -0.16 0.59 0.09 -0.50 0.00 0.00 175.29 175.33 1hr6 n ASN 436 N 4.49 -1.24 -4.21 6.67 3.02 -1.26 -4.88 115.26 117.85 1hr6 n ASN 436 Ca -0.17 -0.93 -0.19 0.00 -0.03 0.00 0.00 54.58 53.26 1hr6 n ASN 436 Cb 0.51 -3.41 -0.12 0.00 -0.61 0.00 0.00 39.78 36.14 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 -6.42 0.93 0.46 3.52 -0.14 -1.26 -5.12 119.74 111.71 1hr6 s LYS 437 Ca 0.13 -1.08 -0.23 0.00 -1.36 0.00 0.00 55.97 53.43 1hr6 s LYS 437 Cb -0.07 -0.94 -0.08 0.00 -1.68 0.00 0.00 37.83 35.06 1hr6 s LYS 437 CO 0.86 0.20 1.13 -1.25 -0.76 0.00 0.00 175.35 175.54 1hr6 s PRO 438 N -2.06 3.80 0.03 -1.68 0.04 -1.26 -5.01 135.00 128.86 1hr6 s PRO 438 Ca 0.03 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1hr6 s PRO 438 Cb -0.08 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1hr6 s PRO 438 CO 0.03 -0.49 -0.13 0.14 0.04 0.00 0.00 177.00 176.58 1hr6 s VAL 439 N -1.61 1.03 0.17 -0.36 -7.23 -1.26 -4.18 120.40 106.96 1hr6 s VAL 439 Ca 0.63 -0.88 0.11 0.00 -1.81 0.00 0.00 61.98 60.03 1hr6 s VAL 439 Cb -0.26 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1hr6 s VAL 439 CO 0.32 0.04 -0.25 -0.94 -0.31 0.00 0.00 175.10 173.96 1hr6 s SER 440 N -0.96 3.37 -0.01 4.85 1.04 -0.43 -3.37 113.70 118.18 1hr6 s SER 440 Ca 0.02 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.51 1hr6 s SER 440 Cb -0.07 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1hr6 s SER 440 CO 0.01 0.14 0.22 -0.32 0.98 0.00 0.00 173.24 174.27 1hr6 s MET 441 N -2.46 0.55 -0.02 4.02 1.75 0.05 -1.39 119.30 121.81 1hr6 s MET 441 Ca 0.18 -0.25 0.01 0.00 -1.25 0.00 0.00 55.69 54.38 1hr6 s MET 441 Cb -0.09 0.24 0.01 0.00 2.84 0.00 0.00 34.83 37.83 1hr6 s MET 441 CO 0.08 -0.14 -0.04 0.08 -0.65 0.00 0.00 175.02 174.35 1hr6 s VAL 442 N -1.25 0.40 -0.02 10.11 1.01 -0.64 -1.35 120.40 128.66 1hr6 s VAL 442 Ca -0.13 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1hr6 s VAL 442 Cb -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.95 1hr6 s VAL 442 CO 0.03 0.14 -0.04 0.00 0.00 0.00 0.00 175.10 175.23 1hr6 s ALA 443 N 0.26 0.50 -0.09 5.51 0.00 -0.57 -1.42 121.76 125.95 1hr6 s ALA 443 Ca -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1hr6 s ALA 443 Cb -0.06 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1hr6 s ALA 443 CO -0.00 0.04 -0.09 -1.17 0.00 0.00 0.00 175.76 174.54 1hr6 s LEU 444 N 0.40 1.35 0.00 0.00 2.96 0.60 0.43 118.68 124.42 1hr6 s LEU 444 Ca -0.05 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1hr6 s LEU 444 Cb -0.08 -0.82 0.00 0.00 0.50 0.00 0.00 46.19 45.79 1hr6 s LEU 444 CO -0.00 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 1hr6 n GLY 445 N 4.52 0.23 3.54 7.98 0.00 -0.57 -0.52 105.19 120.36 1hr6 n GLY 445 Ca -0.17 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 6.56 0.22 1.61 3.84 -1.26 -1.45 114.94 120.46 1hr6 s ASN 446 Ca 0.00 -1.68 0.24 0.00 0.21 0.00 0.00 52.86 51.63 1hr6 s ASN 446 Cb 0.00 -2.53 0.92 0.00 -0.55 0.00 0.00 41.25 39.09 1hr6 s ASN 446 CO 0.00 -1.38 1.72 1.07 -2.79 0.00 0.00 177.10 175.73 1hr6 n THR 447 N 6.52 0.74 0.28 -5.21 5.66 -1.26 -3.98 114.28 117.03 1hr6 n THR 447 Ca 0.32 0.07 0.16 0.00 -3.05 0.00 0.00 64.05 61.56 1hr6 n THR 447 Cb 0.50 -0.96 0.93 0.00 -1.55 0.00 0.00 70.33 69.25 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 -2.33 113.55 114.94 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 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1hr6 h SER 448 CO 0.00 0.00 -0.60 1.07 -0.87 0.00 0.00 176.83 176.43 1hr6 n THR 449 N -3.74 0.00 -2.50 2.95 5.66 -1.26 -4.96 114.28 110.43 1hr6 n THR 449 Ca -0.02 -0.20 -0.43 0.00 -3.05 0.00 0.00 64.05 60.35 1hr6 n THR 449 Cb 0.14 1.16 -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 -2.49 4.38 0.65 1.08 1.01 -0.88 -2.85 120.40 121.29 1hr6 s VAL 450 Ca 0.14 1.68 -0.14 0.00 0.00 0.00 0.00 61.98 63.65 1hr6 s VAL 450 Cb 0.16 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1hr6 s VAL 450 CO 0.62 -0.09 1.08 -2.16 0.00 0.00 0.00 175.10 174.55 1hr6 s PRO 451 N 2.91 2.96 0.81 2.72 0.04 -1.26 -4.99 135.00 138.19 1hr6 s PRO 451 Ca 0.53 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 1hr6 s PRO 451 Cb -0.21 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.43 1hr6 s PRO 451 CO 0.16 -1.10 1.14 1.21 0.04 0.00 0.00 177.00 178.45 1hr6 s ASN 452 N -2.88 3.83 0.20 6.66 3.84 -1.26 -4.90 114.94 120.43 1hr6 s ASN 452 Ca 0.64 2.10 -0.05 0.00 0.21 0.00 0.00 52.86 55.76 1hr6 s ASN 452 Cb -0.18 -2.56 0.14 0.00 -0.55 0.00 0.00 41.25 38.11 1hr6 s ASN 452 CO 0.43 -2.49 1.57 0.58 -2.79 0.00 0.00 177.10 174.39 1hr6 h VAL 453 N -1.17 1.29 0.00 -5.21 2.07 -1.94 -2.20 116.25 109.07 1hr6 h VAL 453 Ca -0.44 -1.51 -0.07 0.00 0.82 0.00 0.00 66.70 65.49 1hr6 h VAL 453 Cb 1.26 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1hr6 h VAL 453 CO 0.47 0.49 -0.36 0.77 0.02 0.00 0.00 177.57 178.97 1hr6 h SER 454 N 0.60 0.00 -0.32 0.57 4.64 -1.94 -1.83 113.55 115.27 1hr6 h SER 454 Ca 0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1hr6 h SER 454 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1hr6 h SER 454 CO 0.08 0.36 0.13 0.22 -0.87 0.00 0.00 176.83 176.75 1hr6 h TYR 455 N 0.00 0.48 -0.46 4.77 5.03 -1.86 -0.55 116.97 124.38 1hr6 h TYR 455 Ca -0.00 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 1hr6 h TYR 455 Cb 0.89 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 1hr6 h TYR 455 CO 0.00 0.45 0.20 0.82 -1.32 0.00 0.00 178.16 178.31 1hr6 h ILE 456 N 0.37 1.20 -0.70 1.81 2.04 -0.99 -1.50 117.51 119.75 1hr6 h ILE 456 Ca 0.11 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 1hr6 h ILE 456 Cb 0.17 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1hr6 h ILE 456 CO -0.01 0.23 0.15 -0.33 0.00 0.00 0.00 178.15 178.18 1hr6 h GLU 457 N 0.60 1.13 0.02 2.37 5.08 -1.25 0.15 114.58 122.69 1hr6 h GLU 457 Ca 0.16 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1hr6 h GLU 457 Cb 0.17 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1hr6 h GLU 457 CO -0.01 1.01 -0.02 1.49 -1.00 0.00 0.00 179.01 180.47 1hr6 h GLU 458 N 1.07 -0.05 -0.42 2.33 4.81 -0.69 -0.31 114.58 121.32 1hr6 h GLU 458 Ca 0.22 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1hr6 h GLU 458 Cb 0.40 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1hr6 h GLU 458 CO 0.01 -0.03 -0.21 0.87 -0.73 0.00 0.00 179.01 178.91 1hr6 h LYS 459 N -0.05 0.83 -0.13 1.92 1.79 -1.11 -1.76 116.57 118.05 1hr6 h LYS 459 Ca 0.00 -0.33 -0.03 0.00 -2.18 0.00 0.00 60.65 58.11 1hr6 h LYS 459 Cb 0.05 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1hr6 h LYS 459 CO -0.01 0.96 -0.02 1.25 -1.08 0.00 0.00 179.45 180.56 1hr6 h LEU 460 N 0.72 0.24 -0.18 2.94 5.85 -0.75 -3.17 115.31 120.96 1hr6 h LEU 460 Ca 0.10 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1hr6 h LEU 460 Cb 0.73 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1hr6 h LEU 460 CO 0.06 0.53 -0.07 0.78 -0.34 0.00 0.00 178.44 179.40 1hr6 h ASN 461 N -0.05 0.00 0.00 1.25 2.35 -1.10 -3.47 115.58 114.56 1hr6 h ASN 461 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1hr6 h ASN 461 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1hr6 h ASN 461 CO 0.01 0.07 0.00 1.67 -1.65 0.00 0.00 177.43 177.53