#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3km4 n ASN 5 N 0.00 0.00 -4.67 1.61 5.15 -0.93 -4.31 115.26 112.11 3km4 n ASN 5 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 3km4 n ASN 5 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 3km4 n ASN 5 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3km4 s THR 6 N 0.00 3.40 0.46 -0.44 2.01 0.17 -4.30 115.64 116.95 3km4 s THR 6 Ca 0.00 0.66 0.04 0.00 0.31 0.00 0.00 61.69 62.69 3km4 s THR 6 Cb 0.00 -3.42 0.04 0.00 0.01 0.00 0.00 72.50 69.12 3km4 s THR 6 CO 0.00 -0.03 0.29 0.35 -0.69 0.00 0.00 174.62 174.54 3km4 n THR 7 N 5.14 0.00 -3.65 -0.82 -2.24 -1.26 -0.18 114.28 111.28 3km4 n THR 7 Ca 0.16 -1.88 -0.03 0.00 -2.27 0.00 0.00 64.05 60.04 3km4 n THR 7 Cb 0.42 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 3km4 n THR 7 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3km4 s SER 8 N -3.68 -0.23 0.13 3.42 0.15 -0.89 -4.90 113.70 107.70 3km4 s SER 8 Ca 0.22 0.40 0.10 0.00 0.70 0.00 0.00 55.95 57.37 3km4 s SER 8 Cb -0.02 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 64.99 3km4 s SER 8 CO 0.14 -0.07 -0.25 -0.94 1.20 0.00 0.00 173.24 173.32 3km4 s SER 9 N 0.62 3.14 -0.15 5.45 1.04 -1.26 0.40 113.70 122.93 3km4 s SER 9 Ca -0.01 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.67 3km4 s SER 9 Cb -0.04 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.90 3km4 s SER 9 CO -0.12 0.14 -0.16 -0.69 0.98 0.00 0.00 173.24 173.39 3km4 s VAL 10 N -1.18 1.70 0.25 5.02 1.01 0.21 -4.52 120.40 122.90 3km4 s VAL 10 Ca 0.13 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 3km4 s VAL 10 Cb -0.10 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 3km4 s VAL 10 CO 0.06 0.48 1.08 -0.63 0.00 0.00 0.00 175.10 176.09 3km4 s ILE 11 N 1.38 3.67 -0.03 2.22 1.09 -1.26 -1.99 121.20 126.27 3km4 s ILE 11 Ca 0.04 1.61 -0.01 0.00 -1.10 0.00 0.00 60.65 61.19 3km4 s ILE 11 Cb -0.13 -4.03 -0.04 0.00 -1.06 0.00 0.00 42.46 37.21 3km4 s ILE 11 CO -0.10 0.36 0.04 -0.76 -0.10 0.00 0.00 174.94 174.37 3km4 s LEU 12 N -1.13 3.72 -0.05 2.97 1.43 0.76 -4.39 118.68 121.99 3km4 s LEU 12 Ca 0.45 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.48 3km4 s LEU 12 Cb -0.30 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 3km4 s LEU 12 CO 0.38 0.31 0.54 -0.89 0.23 0.00 0.00 176.35 176.93 3km4 s THR 13 N -1.06 5.03 -0.38 5.49 2.01 0.23 -2.21 115.64 124.74 3km4 s THR 13 Ca 0.18 1.11 -0.13 0.00 0.31 0.00 0.00 61.69 63.17 3km4 s THR 13 Cb -0.12 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.54 3km4 s THR 13 CO 0.09 0.39 0.25 0.21 -0.69 0.00 0.00 174.62 174.87 3km4 s ASN 14 N 0.06 5.93 -0.45 3.53 3.84 -1.26 -2.04 114.94 124.55 3km4 s ASN 14 Ca 0.29 -0.86 -0.16 0.00 0.21 0.00 0.00 52.86 52.34 3km4 s ASN 14 Cb -0.17 -2.10 0.05 0.00 -0.55 0.00 0.00 41.25 38.48 3km4 s ASN 14 CO 0.14 -0.39 0.41 -0.47 -2.79 0.00 0.00 177.10 174.01 3km4 s TYR 15 N 1.63 3.20 -1.59 0.43 5.04 0.96 -4.67 117.35 122.36 3km4 s TYR 15 Ca 0.04 -0.68 -0.14 0.00 -2.44 0.00 0.00 57.07 53.85 3km4 s TYR 15 Cb -0.19 -3.02 0.11 0.00 0.35 0.00 0.00 41.96 39.21 3km4 s TYR 15 CO 0.09 -0.76 0.84 -1.33 -1.34 0.00 0.00 175.55 173.05 3km4 n MET 16 N 5.40 -4.31 -1.12 4.97 2.81 -1.26 -1.95 117.12 121.65 3km4 n MET 16 Ca -0.10 0.49 -0.06 0.00 -1.81 0.00 0.00 57.70 56.21 3km4 n MET 16 Cb 0.45 -5.23 -0.03 0.00 -0.71 0.00 0.00 33.22 27.71 3km4 n MET 16 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3km4 n ASP 17 N -2.78 -5.41 0.00 7.83 8.00 -1.26 -4.75 116.55 118.17 3km4 n ASP 17 Ca 0.01 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.66 3km4 n ASP 17 Cb 0.53 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 3km4 n ASP 17 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3km4 n THR 18 N -1.98 0.00 -4.42 -3.53 -2.24 -0.82 -4.90 114.28 96.38 3km4 n THR 18 Ca -0.06 -0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.40 3km4 n THR 18 Cb 0.52 0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 3km4 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3km4 s GLN 19 N -0.76 1.64 -0.12 -0.78 -0.21 -0.92 -4.47 119.66 114.05 3km4 s GLN 19 Ca 0.00 -0.37 -0.00 0.00 0.02 0.00 0.00 55.36 55.01 3km4 s GLN 19 Cb 0.00 -1.43 0.02 0.00 1.00 0.00 0.00 33.01 32.60 3km4 s GLN 19 CO 0.00 -0.04 -0.09 0.71 -2.12 0.00 0.00 175.29 173.75 3km4 s TYR 20 N 0.90 1.61 -0.04 0.91 2.02 -1.26 -0.02 117.35 121.46 3km4 s TYR 20 Ca -0.10 -0.82 -0.09 0.00 -0.37 0.00 0.00 57.07 55.69 3km4 s TYR 20 Cb -0.15 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 3km4 s TYR 20 CO 0.01 -0.53 0.22 1.52 -1.57 0.00 0.00 175.55 175.20 3km4 s TYR 21 N 1.58 -0.14 0.22 2.71 -0.85 -0.86 -4.41 117.35 115.59 3km4 s TYR 21 Ca 0.03 0.31 0.01 0.00 -0.52 0.00 0.00 57.07 56.90 3km4 s TYR 21 Cb -0.13 0.05 -0.00 0.00 0.38 0.00 0.00 41.96 42.25 3km4 s TYR 21 CO -0.08 -0.23 0.04 0.41 -1.52 0.00 0.00 175.55 174.17 3km4 n GLY 22 N 2.13 3.79 3.61 5.49 0.00 -0.43 -0.60 105.19 119.19 3km4 n GLY 22 Ca -0.18 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.36 3km4 n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3km4 s GLU 23 N -2.80 2.86 0.16 1.61 2.12 -1.26 -0.56 118.70 120.84 3km4 s GLU 23 Ca 0.05 -0.50 0.10 0.00 0.36 0.00 0.00 54.97 54.98 3km4 s GLU 23 Cb 0.00 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 3km4 s GLU 23 CO 0.04 0.66 -0.22 0.96 -0.54 0.00 0.00 175.26 176.16 3km4 s ILE 24 N -0.79 2.05 -0.13 -3.70 -4.36 -0.89 -4.57 121.20 108.80 3km4 s ILE 24 Ca 0.12 -1.89 -0.01 0.00 -0.26 0.00 0.00 60.65 58.61 3km4 s ILE 24 Cb -0.11 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 3km4 s ILE 24 CO 0.02 -0.16 -0.08 -0.83 0.24 0.00 0.00 174.94 174.13 3km4 s GLY 25 N -2.49 1.64 -0.16 6.27 0.00 -0.29 -1.19 107.32 111.10 3km4 s GLY 25 Ca 0.16 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 44.03 3km4 s GLY 25 CO 0.07 -0.23 -0.18 -0.42 0.00 0.00 0.00 173.10 172.35 3km4 s ILE 26 N 0.14 2.40 0.00 0.90 1.01 -0.66 0.95 121.20 125.93 3km4 s ILE 26 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3km4 s ILE 26 Cb -0.14 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.33 3km4 s ILE 26 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3km4 n GLY 27 N 4.23 -3.42 3.00 6.18 0.00 -0.31 -0.68 105.19 114.19 3km4 n GLY 27 Ca -0.20 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 3km4 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3km4 s THR 28 N -0.72 1.50 0.91 2.61 2.01 -1.26 -1.39 115.64 119.30 3km4 s THR 28 Ca 0.00 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 3km4 s THR 28 Cb 0.00 -1.46 0.14 0.00 0.01 0.00 0.00 72.50 71.19 3km4 s THR 28 CO 0.00 0.38 1.11 -2.16 -0.69 0.00 0.00 174.62 173.26 3km4 s PRO 29 N 1.50 1.06 -0.10 4.92 0.04 -1.26 -1.88 135.00 139.28 3km4 s PRO 29 Ca 0.04 1.29 -0.37 0.00 0.04 0.00 0.00 61.00 62.00 3km4 s PRO 29 Cb -0.13 -1.75 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 3km4 s PRO 29 CO -0.10 -2.52 1.70 -2.30 0.04 0.00 0.00 177.00 173.82 3km4 n PRO 30 N -4.13 1.62 -3.50 0.56 -0.01 -0.48 -4.87 135.00 124.18 3km4 n PRO 30 Ca 0.09 0.59 -0.38 0.00 -0.01 0.00 0.00 63.50 63.80 3km4 n PRO 30 Cb 0.53 -2.33 -0.09 0.00 -0.01 0.00 0.00 33.50 31.60 3km4 n PRO 30 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 175.50 174.84 3km4 s GLN 31 N 2.86 4.06 -0.01 -0.52 -0.21 0.15 -4.82 119.66 121.17 3km4 s GLN 31 Ca 0.92 -0.07 -0.10 0.00 0.02 0.00 0.00 55.36 56.13 3km4 s GLN 31 Cb -0.88 -3.59 -0.05 0.00 1.00 0.00 0.00 33.01 29.49 3km4 s GLN 31 CO 0.54 -0.10 0.31 0.95 -2.12 0.00 0.00 175.29 174.88 3km4 s THR 32 N 1.52 5.22 0.08 -0.19 -4.23 -1.26 -1.66 115.64 115.12 3km4 s THR 32 Ca 0.13 0.46 0.05 0.00 -1.18 0.00 0.00 61.69 61.15 3km4 s THR 32 Cb -0.15 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 3km4 s THR 32 CO 0.08 0.48 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.13 3km4 s PHE 33 N -1.18 1.29 -0.17 3.99 0.08 -0.33 -4.98 117.98 116.66 3km4 s PHE 33 Ca 0.24 -0.47 -0.14 0.00 0.12 0.00 0.00 56.93 56.68 3km4 s PHE 33 Cb -0.14 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 3km4 s PHE 33 CO 0.13 0.08 0.33 0.15 -0.10 0.00 0.00 175.22 175.80 3km4 s LYS 34 N -1.84 4.23 0.00 0.44 1.02 -1.26 -2.09 119.74 120.24 3km4 s LYS 34 Ca -0.00 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.12 3km4 s LYS 34 Cb -0.10 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 3km4 s LYS 34 CO 0.02 0.14 -0.02 0.14 -0.92 0.00 0.00 175.35 174.72 3km4 s VAL 35 N 0.76 0.10 0.11 3.17 -7.23 0.28 -0.89 120.40 116.70 3km4 s VAL 35 Ca 0.17 -0.23 -0.27 0.00 -1.81 0.00 0.00 61.98 59.83 3km4 s VAL 35 Cb -0.14 -0.12 -0.06 0.00 0.56 0.00 0.00 36.38 36.62 3km4 s VAL 35 CO 0.05 -0.09 0.86 -0.69 -0.31 0.00 0.00 175.10 174.93 3km4 s VAL 36 N -0.33 4.51 -0.50 1.32 1.01 -0.97 -1.31 120.40 124.13 3km4 s VAL 36 Ca -0.03 1.86 -0.16 0.00 0.00 0.00 0.00 61.98 63.65 3km4 s VAL 36 Cb -0.02 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.22 3km4 s VAL 36 CO -0.00 0.39 0.48 -0.36 0.00 0.00 0.00 175.10 175.60 3km4 s PHE 37 N -0.33 3.20 -0.38 5.22 0.08 -1.26 -1.06 117.98 123.44 3km4 s PHE 37 Ca 0.41 -0.96 -0.10 0.00 0.12 0.00 0.00 56.93 56.40 3km4 s PHE 37 Cb -0.23 -3.44 0.04 0.00 -0.57 0.00 0.00 43.02 38.83 3km4 s PHE 37 CO 0.27 -0.92 0.21 0.34 -0.10 0.00 0.00 175.22 175.02 3km4 s ASP 38 N 2.93 5.68 0.08 1.36 2.15 -0.91 -4.30 116.67 123.66 3km4 s ASP 38 Ca 0.06 -1.13 0.25 0.00 0.43 0.00 0.00 52.55 52.16 3km4 s ASP 38 Cb -0.25 -2.00 0.97 0.00 -0.30 0.00 0.00 42.92 41.34 3km4 s ASP 38 CO 0.06 -0.42 1.77 0.35 -0.17 0.00 0.00 175.17 176.77 3km4 n THR 39 N 4.96 0.46 1.91 1.71 -2.24 -1.26 -0.78 114.28 119.05 3km4 n THR 39 Ca -0.12 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.81 3km4 n THR 39 Cb 0.45 -0.71 0.76 0.00 -2.10 0.00 0.00 70.33 68.74 3km4 n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3km4 n GLY 40 N 0.95 -0.84 3.57 3.38 0.00 -1.26 -4.03 105.19 106.97 3km4 n GLY 40 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 3km4 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3km4 s SER 41 N -1.85 0.38 0.00 1.61 1.04 -1.07 -4.97 113.70 108.83 3km4 s SER 41 Ca 0.40 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3km4 s SER 41 Cb 0.19 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.97 3km4 s SER 41 CO 0.32 -1.29 0.24 -1.20 0.98 0.00 0.00 173.24 172.29 3km4 n SER 42 N -0.99 0.15 -4.87 7.02 7.64 -1.26 -0.51 113.62 120.80 3km4 n SER 42 Ca -0.01 -1.04 -0.35 0.00 1.01 0.00 0.00 58.87 58.48 3km4 n SER 42 Cb 0.62 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 3km4 n SER 42 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3km4 s ASN 43 N -0.04 6.23 -0.05 6.43 -0.87 -1.26 -4.46 114.94 120.92 3km4 s ASN 43 Ca 0.00 0.35 -0.15 0.00 -1.57 0.00 0.00 52.86 51.50 3km4 s ASN 43 Cb 0.00 -1.95 -0.05 0.00 -0.02 0.00 0.00 41.25 39.23 3km4 s ASN 43 CO 0.00 0.32 0.39 -0.69 -2.57 0.00 0.00 177.10 174.55 3km4 s VAL 44 N -1.18 5.12 0.02 1.60 1.01 -1.26 -0.75 120.40 124.96 3km4 s VAL 44 Ca 0.22 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 62.79 3km4 s VAL 44 Cb -0.12 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.60 3km4 s VAL 44 CO 0.12 0.52 0.42 -1.66 0.00 0.00 0.00 175.10 174.49 3km4 s TRP 45 N -0.59 -0.29 0.05 5.22 1.48 0.23 -0.61 118.94 124.44 3km4 s TRP 45 Ca 0.22 0.32 -0.02 0.00 -1.06 0.00 0.00 56.10 55.57 3km4 s TRP 45 Cb -0.16 0.21 -0.03 0.00 -1.16 0.00 0.00 33.47 32.33 3km4 s TRP 45 CO 0.11 -0.54 -0.01 0.14 -4.06 0.00 0.00 176.95 172.59 3km4 s VAL 46 N -2.14 0.19 0.57 -0.66 -7.23 -0.56 -0.97 120.40 109.61 3km4 s VAL 46 Ca -0.07 -1.59 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 3km4 s VAL 46 Cb -0.02 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 3km4 s VAL 46 CO 0.00 -0.88 1.09 -2.84 -0.31 0.00 0.00 175.10 172.17 3km4 s PRO 47 N -3.43 3.30 0.09 4.82 0.02 -1.26 -0.93 135.00 137.61 3km4 s PRO 47 Ca 0.02 1.43 0.03 0.00 0.02 0.00 0.00 61.00 62.51 3km4 s PRO 47 Cb 0.04 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 3km4 s PRO 47 CO -0.08 -0.86 0.08 0.45 -0.33 0.00 0.00 177.00 176.26 3km4 s SER 48 N -2.21 5.49 0.60 2.53 0.15 0.17 -0.75 113.70 119.69 3km4 s SER 48 Ca 0.69 -0.04 0.36 0.00 0.70 0.00 0.00 55.95 57.66 3km4 s SER 48 Cb -0.20 -1.46 1.94 0.00 -1.71 0.00 0.00 66.02 64.59 3km4 s SER 48 CO 0.31 0.16 2.23 0.77 1.20 0.00 0.00 173.24 177.91 3km4 h SER 49 N 3.18 0.00 0.46 5.45 4.64 -0.89 -1.27 113.55 125.13 3km4 h SER 49 Ca -0.47 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 3km4 h SER 49 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3km4 h SER 49 CO 0.65 0.03 -0.10 0.11 -0.87 0.00 0.00 176.83 176.64 3km4 h LYS 50 N 0.00 0.00 -6.36 4.77 1.79 -1.91 -3.45 116.57 111.41 3km4 h LYS 50 Ca -0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 3km4 h LYS 50 Cb 0.14 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.82 3km4 h LYS 50 CO 0.00 0.10 1.12 0.00 -1.08 0.00 0.00 179.45 179.59 3km4 n SER 52 N 6.46 3.50 0.00 0.00 2.88 -1.26 -4.87 113.62 120.33 3km4 n SER 52 Ca 0.21 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 3km4 n SER 52 Cb 0.34 -1.49 0.01 0.00 -0.75 0.00 0.00 64.21 62.32 3km4 n SER 52 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3km4 n ARG 53 N 3.78 0.00 -0.04 -1.46 3.00 -1.26 -0.26 116.66 120.42 3km4 n ARG 53 Ca 0.17 0.34 0.09 0.00 -0.01 0.00 0.00 57.85 58.44 3km4 n ARG 53 Cb 0.32 -1.50 0.48 0.00 0.00 0.00 0.00 32.46 31.76 3km4 n ARG 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3km4 h LEU 54 N 0.00 0.38 -8.63 0.55 6.46 -2.00 -3.38 115.31 108.69 3km4 h LEU 54 Ca 0.00 0.00 -0.55 0.00 -0.12 0.00 0.00 57.88 57.21 3km4 h LEU 54 Cb 0.00 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 39.79 3km4 h LEU 54 CO 0.00 0.25 1.02 -0.31 -0.62 0.00 0.00 178.44 178.78 3km4 s TYR 55 N -5.41 2.51 0.39 1.25 2.02 0.64 -4.88 117.35 113.86 3km4 s TYR 55 Ca -0.08 0.51 0.12 0.00 -0.37 0.00 0.00 57.07 57.25 3km4 s TYR 55 Cb 0.19 -4.44 0.92 0.00 -0.40 0.00 0.00 41.96 38.23 3km4 s TYR 55 CO 0.74 -1.72 1.89 1.15 -1.57 0.00 0.00 175.55 176.04 3km4 h THR 56 N 6.28 0.81 0.00 -0.71 2.02 -1.84 0.77 112.91 120.24 3km4 h THR 56 Ca -0.26 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3km4 h THR 56 Cb 1.07 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3km4 h THR 56 CO 1.16 0.10 -0.02 0.00 0.37 0.00 0.00 175.52 177.13 3km4 h ALA 57 N 1.62 1.35 0.00 6.16 0.00 -1.90 -0.76 119.26 125.73 3km4 h ALA 57 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3km4 h ALA 57 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3km4 h ALA 57 CO -0.17 0.03 -0.40 0.00 0.00 0.00 0.00 179.25 178.71 3km4 h VAL 59 N 0.00 1.22 -0.00 0.00 2.07 -1.07 -3.38 116.25 115.08 3km4 h VAL 59 Ca 0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.09 3km4 h VAL 59 Cb 0.65 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 3km4 h VAL 59 CO 0.00 0.68 -0.25 -1.22 0.02 0.00 0.00 177.57 176.80 3km4 n TYR 60 N -4.05 0.00 -4.16 1.57 4.01 -0.74 -4.88 117.16 108.91 3km4 n TYR 60 Ca -0.21 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.28 3km4 n TYR 60 Cb 0.84 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 39.56 3km4 n TYR 60 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3km4 s HIS 61 N -2.75 2.98 0.32 -0.72 3.76 -0.91 -5.09 115.29 112.88 3km4 s HIS 61 Ca 0.19 -0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 54.71 3km4 s HIS 61 Cb 0.19 -1.40 -0.11 0.00 1.11 0.00 0.00 32.58 32.37 3km4 s HIS 61 CO 0.57 0.53 1.45 0.21 -0.85 0.00 0.00 174.74 176.65 3km4 s LYS 62 N -3.28 4.22 -0.09 1.40 2.47 -1.26 -4.87 119.74 118.32 3km4 s LYS 62 Ca 0.30 2.41 0.02 0.00 -1.56 0.00 0.00 55.97 57.14 3km4 s LYS 62 Cb -0.09 -3.04 -0.02 0.00 -1.46 0.00 0.00 37.83 33.22 3km4 s LYS 62 CO 0.22 -0.43 -0.15 -0.51 0.16 0.00 0.00 175.35 174.64 3km4 s LEU 63 N -1.28 2.67 -0.29 5.43 1.43 -1.26 -4.34 118.68 121.04 3km4 s LEU 63 Ca 0.55 -0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 53.10 3km4 s LEU 63 Cb -0.44 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3km4 s LEU 63 CO 0.53 0.25 0.95 0.12 0.23 0.00 0.00 176.35 178.43 3km4 s PHE 64 N -0.19 3.22 -0.44 0.29 5.36 0.07 -4.66 117.98 121.64 3km4 s PHE 64 Ca -0.00 1.12 -0.08 0.00 -0.96 0.00 0.00 56.93 57.01 3km4 s PHE 64 Cb -0.13 -3.40 0.10 0.00 -0.34 0.00 0.00 43.02 39.25 3km4 s PHE 64 CO 0.03 -0.62 0.28 0.34 -1.46 0.00 0.00 175.22 173.80 3km4 s ASP 65 N 1.53 5.56 0.58 6.13 2.15 -1.26 -0.25 116.67 131.11 3km4 s ASP 65 Ca 0.40 -1.80 0.37 0.00 0.43 0.00 0.00 52.55 51.94 3km4 s ASP 65 Cb -0.14 -1.96 1.66 0.00 -0.30 0.00 0.00 42.92 42.19 3km4 s ASP 65 CO 0.12 -0.60 2.09 0.00 -0.17 0.00 0.00 175.17 176.60 3km4 h ALA 66 N 8.34 1.00 0.00 3.66 0.00 -1.95 -2.25 119.26 128.05 3km4 h ALA 66 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3km4 h ALA 66 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3km4 h ALA 66 CO 0.79 0.00 -0.23 -1.13 0.00 0.00 0.00 179.25 178.68 3km4 n SER 67 N -3.07 0.71 -0.25 0.00 3.41 -1.26 -3.03 113.62 110.13 3km4 n SER 67 Ca -0.00 0.39 0.15 0.00 -0.26 0.00 0.00 58.87 59.14 3km4 n SER 67 Cb 0.24 -0.41 0.71 0.00 -0.26 0.00 0.00 64.21 64.48 3km4 n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3km4 n ASP 68 N -2.13 0.79 -4.28 4.04 9.92 -0.85 -4.82 116.55 119.22 3km4 n ASP 68 Ca 0.05 -1.23 -0.33 0.00 -0.53 0.00 0.00 54.79 52.75 3km4 n ASP 68 Cb 0.42 -0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.75 3km4 n ASP 68 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3km4 s SER 69 N -2.03 3.75 0.03 -2.24 0.15 -1.17 -4.21 113.70 107.97 3km4 s SER 69 Ca 0.42 -0.44 0.22 0.00 0.70 0.00 0.00 55.95 56.85 3km4 s SER 69 Cb 0.21 -1.58 0.93 0.00 -1.71 0.00 0.00 66.02 63.88 3km4 s SER 69 CO 0.36 0.09 1.71 -1.54 1.20 0.00 0.00 173.24 175.06 3km4 n SER 70 N 4.01 0.08 -0.00 5.45 3.41 -0.79 -3.44 113.62 122.34 3km4 n SER 70 Ca -0.19 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.03 3km4 n SER 70 Cb 0.52 -0.53 -0.12 0.00 -0.26 0.00 0.00 64.21 63.82 3km4 n SER 70 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3km4 n SER 71 N -1.58 0.99 -4.70 4.04 3.41 -1.26 -4.97 113.62 109.55 3km4 n SER 71 Ca 0.05 -0.99 -0.42 0.00 -0.26 0.00 0.00 58.87 57.25 3km4 n SER 71 Cb 0.27 1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 65.19 3km4 n SER 71 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3km4 s TYR 72 N -3.00 2.37 -0.14 7.33 5.04 -1.22 -4.64 117.35 123.09 3km4 s TYR 72 Ca 0.08 0.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.82 3km4 s TYR 72 Cb 0.16 -4.15 -0.00 0.00 0.35 0.00 0.00 41.96 38.32 3km4 s TYR 72 CO 0.87 -4.63 -0.16 0.21 -1.34 0.00 0.00 175.55 170.49 3km4 s LYS 73 N 2.30 3.22 0.54 4.97 2.20 -0.77 -5.02 119.74 127.17 3km4 s LYS 73 Ca 0.79 -0.76 -0.19 0.00 -0.36 0.00 0.00 55.97 55.45 3km4 s LYS 73 Cb -0.47 -2.57 -0.06 0.00 -1.51 0.00 0.00 37.83 33.22 3km4 s LYS 73 CO 0.35 0.08 1.10 -1.58 -0.36 0.00 0.00 175.35 174.94 3km4 s HIS 74 N 0.65 2.77 0.23 4.03 5.65 -1.26 -2.15 115.29 125.20 3km4 s HIS 74 Ca -0.08 1.55 0.00 0.00 0.25 0.00 0.00 55.06 56.78 3km4 s HIS 74 Cb -0.16 -3.21 0.00 0.00 -1.18 0.00 0.00 32.58 28.03 3km4 s HIS 74 CO 0.02 -1.36 0.00 -1.71 -0.65 0.00 0.00 174.74 171.04 3km4 n ASN 75 N -1.30 -0.33 0.00 9.88 2.85 -1.24 -4.83 115.26 120.28 3km4 n ASN 75 Ca 0.11 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 3km4 n ASN 75 Cb 0.51 0.49 0.00 0.00 1.24 0.00 0.00 39.78 42.02 3km4 n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3km4 n GLY 76 N 1.31 1.04 3.58 8.20 0.00 0.42 -4.98 105.19 114.76 3km4 n GLY 76 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3km4 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3km4 n THR 77 N -2.00 1.31 -1.93 2.61 -1.04 -1.26 -4.62 114.28 107.35 3km4 n THR 77 Ca 0.00 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.05 61.34 3km4 n THR 77 Cb 0.00 -0.89 0.04 0.00 -1.82 0.00 0.00 70.33 67.66 3km4 n THR 77 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3km4 s GLU 78 N -0.80 2.91 -0.03 -2.82 2.12 -1.26 -1.92 118.70 116.91 3km4 s GLU 78 Ca 0.68 1.65 0.00 0.00 0.36 0.00 0.00 54.97 57.66 3km4 s GLU 78 Cb -0.80 -1.94 0.03 0.00 0.26 0.00 0.00 34.13 31.68 3km4 s GLU 78 CO 0.55 -1.21 -0.00 -1.17 -0.54 0.00 0.00 175.26 172.89 3km4 s LEU 79 N -4.35 1.22 -0.10 2.70 2.96 -0.18 -4.76 118.68 116.17 3km4 s LEU 79 Ca 0.73 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 3km4 s LEU 79 Cb -0.26 -0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.24 3km4 s LEU 79 CO 0.35 -0.09 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.26 3km4 s THR 80 N 0.94 1.42 -0.18 3.68 2.01 -1.26 -1.92 115.64 120.33 3km4 s THR 80 Ca -0.09 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 3km4 s THR 80 Cb -0.13 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 3km4 s THR 80 CO -0.02 0.43 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.50 3km4 s LEU 81 N 0.98 2.82 -0.38 4.42 1.43 -0.09 -4.96 118.68 122.90 3km4 s LEU 81 Ca -0.07 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 3km4 s LEU 81 Cb -0.15 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.40 3km4 s LEU 81 CO -0.01 0.06 0.27 -0.13 0.23 0.00 0.00 176.35 176.77 3km4 s ARG 82 N 0.98 3.16 0.52 1.70 0.52 -1.26 -0.79 118.95 123.77 3km4 s ARG 82 Ca -0.01 -0.88 0.07 0.00 -0.52 0.00 0.00 55.73 54.39 3km4 s ARG 82 Cb -0.15 -3.88 0.03 0.00 0.52 0.00 0.00 34.95 31.47 3km4 s ARG 82 CO -0.00 -0.62 0.48 0.71 0.02 0.00 0.00 175.30 175.89 3km4 s TYR 83 N 1.68 1.88 0.30 -0.53 2.02 0.11 -4.99 117.35 117.82 3km4 s TYR 83 Ca 0.05 -0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 56.03 3km4 s TYR 83 Cb -0.18 -2.05 0.67 0.00 -0.40 0.00 0.00 41.96 39.99 3km4 s TYR 83 CO 0.10 -0.53 1.53 0.43 -1.57 0.00 0.00 175.55 175.51 3km4 n SER 84 N -1.81 -0.18 0.01 2.29 7.64 -1.26 -1.75 113.62 118.56 3km4 n SER 84 Ca 0.04 1.67 0.13 0.00 1.01 0.00 0.00 58.87 61.72 3km4 n SER 84 Cb 0.63 -0.58 0.49 0.00 -1.01 0.00 0.00 64.21 63.74 3km4 n SER 84 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3km4 n THR 85 N -5.50 0.07 0.00 0.44 -2.24 -1.26 -5.01 114.28 100.78 3km4 n THR 85 Ca 0.21 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3km4 n THR 85 Cb 0.68 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3km4 n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3km4 n GLY 86 N 1.48 0.54 3.58 3.38 0.00 -0.72 -4.69 105.19 108.76 3km4 n GLY 86 Ca 0.06 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 3km4 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3km4 s THR 87 N -1.30 3.90 -0.06 2.61 2.01 -1.26 0.04 115.64 121.58 3km4 s THR 87 Ca 0.00 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.65 3km4 s THR 87 Cb 0.00 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 3km4 s THR 87 CO 0.00 0.57 -0.17 0.68 -0.69 0.00 0.00 174.62 175.01 3km4 s VAL 88 N -0.50 2.77 0.13 3.82 -7.23 0.03 -4.75 120.40 114.67 3km4 s VAL 88 Ca 0.08 -0.81 0.09 0.00 -1.81 0.00 0.00 61.98 59.52 3km4 s VAL 88 Cb -0.12 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3km4 s VAL 88 CO 0.02 0.57 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.77 3km4 s SER 89 N -0.42 3.92 0.00 4.85 0.01 -1.20 -0.92 113.70 119.94 3km4 s SER 89 Ca 0.04 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.72 3km4 s SER 89 Cb -0.12 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.56 3km4 s SER 89 CO 0.02 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.44 3km4 n GLY 90 N 0.64 1.26 3.21 3.44 0.00 -0.81 0.60 105.19 113.54 3km4 n GLY 90 Ca -0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 3km4 n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3km4 s PHE 91 N -0.36 0.33 0.18 1.61 -0.12 -0.81 -1.01 117.98 117.80 3km4 s PHE 91 Ca 0.00 -0.76 -0.30 0.00 -0.05 0.00 0.00 56.93 55.82 3km4 s PHE 91 Cb 0.00 -0.15 -0.08 0.00 -0.63 0.00 0.00 43.02 42.16 3km4 s PHE 91 CO 0.00 -0.55 1.00 -0.51 -0.05 0.00 0.00 175.22 175.11 3km4 s LEU 92 N -2.91 4.55 0.16 -1.99 1.43 -0.81 -0.24 118.68 118.87 3km4 s LEU 92 Ca 0.10 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.16 3km4 s LEU 92 Cb 0.05 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3km4 s LEU 92 CO -0.07 -0.04 0.02 -0.44 0.23 0.00 0.00 176.35 176.06 3km4 s SER 93 N -0.49 0.84 0.07 2.29 0.01 -0.26 -0.43 113.70 115.73 3km4 s SER 93 Ca 0.45 -1.19 0.06 0.00 1.31 0.00 0.00 55.95 56.58 3km4 s SER 93 Cb -0.26 0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 3km4 s SER 93 CO 0.33 -0.64 -0.16 -1.58 0.41 0.00 0.00 173.24 171.60 3km4 s GLN 94 N -3.97 0.95 0.05 12.44 0.74 -0.91 -1.15 119.66 127.81 3km4 s GLN 94 Ca 0.24 -0.95 -0.27 0.00 0.05 0.00 0.00 55.36 54.43 3km4 s GLN 94 Cb 0.07 -1.02 0.09 0.00 1.10 0.00 0.00 33.01 33.25 3km4 s GLN 94 CO 0.03 0.24 1.20 0.34 -0.55 0.00 0.00 175.29 176.55 3km4 s ASP 95 N -1.60 -0.00 -0.00 6.67 -1.08 -0.70 -1.85 116.67 118.11 3km4 s ASP 95 Ca 0.01 -0.35 -0.24 0.00 -0.52 0.00 0.00 52.55 51.46 3km4 s ASP 95 Cb -0.09 0.26 -0.05 0.00 -1.46 0.00 0.00 42.92 41.58 3km4 s ASP 95 CO 0.02 -0.52 0.72 -0.63 0.52 0.00 0.00 175.17 175.29 3km4 s ILE 96 N -2.12 4.87 -0.11 4.11 -1.09 -1.26 0.37 121.20 125.97 3km4 s ILE 96 Ca 0.26 1.52 0.04 0.00 -2.23 0.00 0.00 60.65 60.23 3km4 s ILE 96 Cb -0.01 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 3km4 s ILE 96 CO 0.01 0.33 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.19 3km4 s ILE 97 N 0.23 2.04 -0.24 2.92 1.01 0.20 -1.16 121.20 126.19 3km4 s ILE 97 Ca 0.37 -1.00 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 3km4 s ILE 97 Cb -0.19 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3km4 s ILE 97 CO 0.21 0.55 0.34 -0.89 0.00 0.00 0.00 174.94 175.15 3km4 s THR 98 N 0.46 5.22 -0.21 2.92 2.01 0.27 -0.94 115.64 125.37 3km4 s THR 98 Ca -0.16 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.40 3km4 s THR 98 Cb -0.17 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.71 3km4 s THR 98 CO 0.06 0.23 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.46 3km4 s VAL 99 N 1.56 1.58 0.00 3.82 1.01 -0.17 -1.14 120.40 127.07 3km4 s VAL 99 Ca 0.15 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3km4 s VAL 99 Cb -0.15 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3km4 s VAL 99 CO 0.08 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3km4 n GLY 100 N 4.68 1.50 0.00 4.51 0.00 -1.26 -1.95 105.19 112.67 3km4 n GLY 100 Ca -0.13 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.41 3km4 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3km4 n GLY 101 N 0.00 -0.30 3.72 -0.02 0.00 -1.26 -4.80 105.19 102.53 3km4 n GLY 101 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3km4 n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3km4 s ILE 102 N -2.00 4.84 -0.05 -0.61 1.01 -0.82 -5.09 121.20 118.48 3km4 s ILE 102 Ca 0.12 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.80 3km4 s ILE 102 Cb 0.05 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 3km4 s ILE 102 CO 0.09 0.56 -0.24 -0.89 0.00 0.00 0.00 174.94 174.46 3km4 s THR 103 N -0.47 2.14 -0.05 2.92 2.01 -1.26 -1.00 115.64 119.92 3km4 s THR 103 Ca 0.10 -1.04 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 3km4 s THR 103 Cb -0.12 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.63 3km4 s THR 103 CO 0.02 0.57 0.19 0.54 -0.69 0.00 0.00 174.62 175.25 3km4 s VAL 104 N -0.25 0.03 -0.24 3.82 0.11 -0.11 -4.96 120.40 118.80 3km4 s VAL 104 Ca -0.01 -0.23 -0.27 0.00 -2.93 0.00 0.00 61.98 58.54 3km4 s VAL 104 Cb -0.13 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 3km4 s VAL 104 CO 0.03 -0.13 0.97 -0.89 -3.33 0.00 0.00 175.10 171.75 3km4 s THR 105 N -0.41 4.73 -0.03 5.04 2.01 -1.26 0.59 115.64 126.31 3km4 s THR 105 Ca -0.05 1.85 0.01 0.00 0.31 0.00 0.00 61.69 63.80 3km4 s THR 105 Cb -0.03 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.25 3km4 s THR 105 CO 0.01 -0.16 -0.01 -1.58 -0.69 0.00 0.00 174.62 172.20 3km4 s GLN 106 N 3.09 0.32 -0.02 4.92 2.00 0.16 -4.97 119.66 125.17 3km4 s GLN 106 Ca 0.41 0.05 -0.27 0.00 -2.00 0.00 0.00 55.36 53.54 3km4 s GLN 106 Cb -0.15 -0.47 -0.04 0.00 0.80 0.00 0.00 33.01 33.15 3km4 s GLN 106 CO 0.07 -0.11 0.86 1.41 -0.50 0.00 0.00 175.29 177.02 3km4 s MET 107 N 0.90 4.52 0.19 1.67 -2.45 -1.26 -1.72 119.30 121.14 3km4 s MET 107 Ca -0.09 1.19 -0.02 0.00 -1.25 0.00 0.00 55.69 55.52 3km4 s MET 107 Cb -0.12 -3.44 -0.04 0.00 1.25 0.00 0.00 34.83 32.47 3km4 s MET 107 CO -0.01 0.03 0.14 -0.59 1.05 0.00 0.00 175.02 175.64 3km4 s PHE 108 N 0.81 1.03 -0.12 4.11 -0.12 -0.30 -4.71 117.98 118.68 3km4 s PHE 108 Ca 0.45 -1.29 -0.15 0.00 -0.05 0.00 0.00 56.93 55.90 3km4 s PHE 108 Cb -0.20 -0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 41.66 3km4 s PHE 108 CO 0.24 -0.64 0.35 0.20 -0.05 0.00 0.00 175.22 175.32 3km4 s GLY 109 N -3.12 2.30 -0.43 1.99 0.00 0.22 -1.10 107.32 107.19 3km4 s GLY 109 Ca 0.34 -0.36 -0.17 0.00 0.00 0.00 0.00 44.72 44.53 3km4 s GLY 109 CO 0.09 0.41 0.45 -0.54 0.00 0.00 0.00 173.10 173.51 3km4 s GLU 110 N 0.13 3.09 -0.06 2.90 2.02 0.66 -1.49 118.70 125.96 3km4 s GLU 110 Ca 0.20 -0.79 -0.16 0.00 0.02 0.00 0.00 54.97 54.25 3km4 s GLU 110 Cb -0.14 -3.98 -0.05 0.00 0.10 0.00 0.00 34.13 30.06 3km4 s GLU 110 CO 0.07 -0.89 0.41 0.08 0.02 0.00 0.00 175.26 174.95 3km4 s VAL 111 N 2.16 5.12 -0.01 2.63 1.01 -0.11 -1.93 120.40 129.27 3km4 s VAL 111 Ca 0.12 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.95 3km4 s VAL 111 Cb -0.17 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.51 3km4 s VAL 111 CO 0.13 0.48 1.01 0.35 0.00 0.00 0.00 175.10 177.07 3km4 n THR 112 N 2.64 1.08 -3.52 3.92 -2.24 0.20 -0.65 114.28 115.71 3km4 n THR 112 Ca -0.12 -1.12 -0.15 0.00 -2.27 0.00 0.00 64.05 60.39 3km4 n THR 112 Cb 0.52 0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 3km4 n THR 112 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3km4 s GLU 113 N -1.19 0.21 -0.36 -0.78 2.12 -0.59 -4.29 118.70 113.82 3km4 s GLU 113 Ca 0.03 0.42 0.01 0.00 0.36 0.00 0.00 54.97 55.80 3km4 s GLU 113 Cb 0.03 -0.74 0.15 0.00 0.26 0.00 0.00 34.13 33.83 3km4 s GLU 113 CO 0.00 -0.55 0.26 -1.64 -0.54 0.00 0.00 175.26 172.80 3km4 s MET 114 N 2.39 0.59 0.38 4.30 -1.94 -1.26 -3.28 119.30 120.48 3km4 s MET 114 Ca 0.06 -1.28 -0.27 0.00 -1.71 0.00 0.00 55.69 52.49 3km4 s MET 114 Cb -0.15 -1.17 -0.11 0.00 2.01 0.00 0.00 34.83 35.42 3km4 s MET 114 CO -0.12 -1.22 1.39 -2.30 -0.01 0.00 0.00 175.02 172.76 3km4 n PRO 115 N 3.99 2.35 -0.32 2.03 -0.02 -1.26 -4.34 135.00 137.44 3km4 n PRO 115 Ca 0.13 0.83 -0.04 0.00 -2.02 0.00 0.00 63.50 62.40 3km4 n PRO 115 Cb 0.40 -2.51 0.08 0.00 -0.02 0.00 0.00 33.50 31.45 3km4 n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3km4 h ALA 116 N 2.64 1.10 -2.28 3.55 0.00 -1.98 -2.32 119.26 119.97 3km4 h ALA 116 Ca -0.49 -0.11 -0.69 0.00 0.00 0.00 0.00 54.91 53.62 3km4 h ALA 116 Cb 1.27 -0.34 -0.19 0.00 0.00 0.00 0.00 17.79 18.53 3km4 h ALA 116 CO 0.63 0.58 -0.12 -1.17 0.00 0.00 0.00 179.25 179.17 3km4 s LEU 117 N -9.97 4.92 -0.00 0.00 2.96 -1.26 -0.57 118.68 114.76 3km4 s LEU 117 Ca -0.13 -0.76 0.15 0.00 -0.22 0.00 0.00 54.13 53.17 3km4 s LEU 117 Cb 0.16 -2.42 -0.17 0.00 0.50 0.00 0.00 46.19 44.26 3km4 s LEU 117 CO 0.82 -0.69 0.61 -0.81 -1.32 0.00 0.00 176.35 174.96 3km4 n PRO 118 N 5.78 1.90 0.23 0.98 -0.04 -1.21 -4.97 135.00 137.67 3km4 n PRO 118 Ca -0.07 -0.01 0.15 0.00 -0.04 0.00 0.00 63.50 63.53 3km4 n PRO 118 Cb 0.47 -1.22 0.57 0.00 -0.04 0.00 0.00 33.50 33.27 3km4 n PRO 118 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3km4 h PHE 119 N 0.00 0.00 0.00 0.54 0.04 -0.72 0.22 116.94 117.03 3km4 h PHE 119 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3km4 h PHE 119 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 3km4 h PHE 119 CO 0.00 0.00 0.00 -1.33 -0.60 0.00 0.00 178.31 176.38 3km4 n MET 120 N -2.86 0.28 0.00 1.51 2.81 0.26 -2.44 117.12 116.68 3km4 n MET 120 Ca 0.02 0.08 0.13 0.00 -1.81 0.00 0.00 57.70 56.11 3km4 n MET 120 Cb 0.32 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.67 3km4 n MET 120 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3km4 n LEU 121 N -1.31 0.94 -4.69 4.03 4.77 0.78 -4.97 117.00 116.56 3km4 n LEU 121 Ca 0.10 -0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 55.49 3km4 n LEU 121 Cb 0.19 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3km4 n LEU 121 CO 0.18 0.18 -0.07 0.00 -1.33 0.00 0.00 177.39 176.35 3km4 s ALA 122 N -2.61 3.61 -0.00 -1.18 0.00 -1.02 -4.96 121.76 115.59 3km4 s ALA 122 Ca 0.21 -0.65 0.23 0.00 0.00 0.00 0.00 51.96 51.74 3km4 s ALA 122 Cb 0.19 -2.39 0.70 0.00 0.00 0.00 0.00 23.12 21.62 3km4 s ALA 122 CO 0.56 -0.09 1.73 0.93 0.00 0.00 0.00 175.76 178.89 3km4 h GLU 123 N 7.12 0.00 -6.90 0.00 4.39 -1.93 -3.46 114.58 113.81 3km4 h GLU 123 Ca -0.39 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.82 3km4 h GLU 123 Cb 1.16 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.82 3km4 h GLU 123 CO 0.71 0.24 0.15 -0.59 -1.16 0.00 0.00 179.01 178.36 3km4 s PHE 124 N -3.45 3.48 -0.08 4.33 -0.12 -1.26 -4.96 117.98 115.91 3km4 s PHE 124 Ca 0.02 1.08 -0.14 0.00 -0.05 0.00 0.00 56.93 57.85 3km4 s PHE 124 Cb 0.09 -2.48 -0.28 0.00 -0.63 0.00 0.00 43.02 39.72 3km4 s PHE 124 CO 0.66 -0.16 0.59 -0.44 -0.05 0.00 0.00 175.22 175.82 3km4 h ASP 125 N 1.13 0.47 -0.32 1.98 3.32 -1.34 -3.49 116.42 118.17 3km4 h ASP 125 Ca -0.47 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 55.69 3km4 h ASP 125 Cb 1.19 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3km4 h ASP 125 CO 0.63 1.69 0.00 0.61 -1.72 0.00 0.00 179.24 180.46 3km4 n GLY 126 N 1.80 4.27 2.88 2.75 0.00 -0.81 -4.28 105.19 111.80 3km4 n GLY 126 Ca -0.25 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 3km4 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3km4 s VAL 127 N -1.78 0.27 -0.43 1.61 1.01 -0.15 -2.30 120.40 118.63 3km4 s VAL 127 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 3km4 s VAL 127 Cb 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 36.38 36.18 3km4 s VAL 127 CO 0.00 0.12 0.26 -0.69 0.00 0.00 0.00 175.10 174.79 3km4 s VAL 128 N 0.49 3.99 -0.03 2.92 1.01 -0.23 -0.60 120.40 127.96 3km4 s VAL 128 Ca -0.05 -1.63 -0.31 0.00 0.00 0.00 0.00 61.98 59.99 3km4 s VAL 128 Cb -0.08 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 3km4 s VAL 128 CO -0.01 -0.60 1.97 0.61 0.00 0.00 0.00 175.10 177.08 3km4 n GLY 129 N 4.84 1.66 1.25 4.51 0.00 0.07 -2.14 105.19 115.39 3km4 n GLY 129 Ca -0.08 0.83 0.12 0.00 0.00 0.00 0.00 46.02 46.89 3km4 n GLY 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3km4 n MET 130 N 7.38 2.61 -1.07 1.61 2.81 0.04 -4.48 117.12 126.03 3km4 n MET 130 Ca 0.22 -2.46 -0.18 0.00 -1.81 0.00 0.00 57.70 53.47 3km4 n MET 130 Cb 0.37 -1.54 0.13 0.00 -0.71 0.00 0.00 33.22 31.47 3km4 n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3km4 n GLY 131 N 1.59 -1.56 3.93 3.03 0.00 0.34 -4.83 105.19 107.69 3km4 n GLY 131 Ca 0.22 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 3km4 n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3km4 s PHE 132 N -2.67 3.48 0.54 1.61 0.08 -1.26 -4.80 117.98 114.96 3km4 s PHE 132 Ca 0.45 0.48 0.22 0.00 0.12 0.00 0.00 56.93 58.19 3km4 s PHE 132 Cb -0.02 -2.08 1.42 0.00 -0.57 0.00 0.00 43.02 41.78 3km4 s PHE 132 CO 0.32 -0.07 2.12 0.97 -0.10 0.00 0.00 175.22 178.46 3km4 h ILE 133 N 0.54 0.81 -0.94 0.64 2.10 -1.91 0.53 117.51 119.28 3km4 h ILE 133 Ca -0.48 0.00 0.19 0.00 1.08 0.00 0.00 64.86 65.64 3km4 h ILE 133 Cb 1.22 0.92 -0.08 0.00 -1.09 0.00 0.00 36.82 37.78 3km4 h ILE 133 CO 0.61 0.00 0.60 -0.33 -1.08 0.00 0.00 178.15 177.95 3km4 h GLU 134 N 0.00 0.57 -0.32 2.19 3.07 -1.94 0.80 114.58 118.97 3km4 h GLU 134 Ca 0.07 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3km4 h GLU 134 Cb 0.30 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3km4 h GLU 134 CO -0.00 0.38 0.00 1.04 -1.40 0.00 0.00 179.01 179.03 3km4 n GLN 135 N -4.60 2.43 -2.65 2.33 6.02 0.17 -4.95 117.38 116.13 3km4 n GLN 135 Ca 0.20 -2.14 -0.40 0.00 -0.01 0.00 0.00 57.00 54.65 3km4 n GLN 135 Cb 0.61 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 3km4 n GLN 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3km4 s ALA 136 N -1.60 3.36 0.20 -1.58 0.00 0.27 -4.47 121.76 117.94 3km4 s ALA 136 Ca 0.37 0.72 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 3km4 s ALA 136 Cb 0.22 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 3km4 s ALA 136 CO 0.31 0.07 0.74 0.42 0.00 0.00 0.00 175.76 177.29 3km4 s ILE 137 N -1.19 4.51 -1.80 0.00 -1.09 -1.26 -3.68 121.20 116.69 3km4 s ILE 137 Ca 0.43 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 60.26 3km4 s ILE 137 Cb -0.28 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 3km4 s ILE 137 CO 0.35 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 3km4 n GLY 138 N 1.02 1.67 1.90 6.18 0.00 -1.26 -3.49 105.19 111.21 3km4 n GLY 138 Ca -0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 3km4 n GLY 138 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3km4 n ARG 139 N -2.51 -1.37 -1.70 1.61 1.85 -1.24 -4.97 116.66 108.34 3km4 n ARG 139 Ca -0.17 0.51 -0.44 0.00 -1.00 0.00 0.00 57.85 56.75 3km4 n ARG 139 Cb 0.56 -4.55 -0.03 0.00 -1.05 0.00 0.00 32.46 27.39 3km4 n ARG 139 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3km4 n VAL 140 N -1.51 0.49 -1.73 8.89 0.31 -1.23 -4.92 118.33 118.63 3km4 n VAL 140 Ca -0.08 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 63.71 3km4 n VAL 140 Cb 0.31 -1.71 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 3km4 n VAL 140 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3km4 s THR 141 N 0.49 2.72 0.53 2.52 2.01 -1.26 -4.84 115.64 117.81 3km4 s THR 141 Ca 0.72 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.62 3km4 s THR 141 Cb -0.59 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 3km4 s THR 141 CO 0.42 -0.00 1.12 -2.84 -0.69 0.00 0.00 174.62 172.63 3km4 s PRO 142 N 3.17 3.45 0.28 4.92 0.02 -1.26 -4.79 135.00 140.79 3km4 s PRO 142 Ca 0.82 1.59 0.01 0.00 0.02 0.00 0.00 61.00 63.44 3km4 s PRO 142 Cb -0.44 -2.05 0.67 0.00 0.02 0.00 0.00 34.50 32.70 3km4 s PRO 142 CO 0.37 -0.76 1.67 0.97 -0.33 0.00 0.00 177.00 178.91 3km4 h ILE 143 N 1.31 0.39 -0.39 2.83 2.10 -1.83 -1.68 117.51 120.24 3km4 h ILE 143 Ca -0.50 -0.09 -0.05 0.00 1.08 0.00 0.00 64.86 65.30 3km4 h ILE 143 Cb 1.25 0.10 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 3km4 h ILE 143 CO 0.57 0.05 0.04 0.15 -1.08 0.00 0.00 178.15 177.89 3km4 h PHE 144 N 0.27 0.61 -0.49 2.19 3.57 -1.91 -0.69 116.94 120.48 3km4 h PHE 144 Ca 0.53 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.93 3km4 h PHE 144 Cb 1.03 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3km4 h PHE 144 CO -0.23 0.56 0.14 -0.44 -2.23 0.00 0.00 178.31 176.11 3km4 h ASP 145 N 0.57 0.73 -0.87 0.41 5.19 -1.69 0.13 116.42 120.88 3km4 h ASP 145 Ca 0.13 -0.22 0.04 0.00 -0.62 0.00 0.00 57.03 56.36 3km4 h ASP 145 Cb 0.30 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.56 3km4 h ASP 145 CO 0.01 0.75 0.56 0.78 -3.12 0.00 0.00 179.24 178.21 3km4 h ASN 146 N 0.66 0.91 0.03 6.45 -0.26 -1.02 -0.35 115.58 122.00 3km4 h ASN 146 Ca 0.16 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.76 3km4 h ASN 146 Cb 0.30 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 3km4 h ASN 146 CO -0.00 0.61 -0.46 0.40 -1.06 0.00 0.00 177.43 176.91 3km4 h ILE 147 N 1.06 1.31 -0.46 2.81 2.04 -0.82 -2.91 117.51 120.53 3km4 h ILE 147 Ca 0.36 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 3km4 h ILE 147 Cb 0.07 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3km4 h ILE 147 CO -0.14 0.52 0.27 0.40 0.00 0.00 0.00 178.15 179.20 3km4 h ILE 148 N 0.41 1.15 -0.03 -0.67 2.04 -0.01 -2.22 117.51 118.17 3km4 h ILE 148 Ca 0.03 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3km4 h ILE 148 Cb 0.96 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3km4 h ILE 148 CO 0.09 0.15 0.19 0.28 0.00 0.00 0.00 178.15 178.86 3km4 h SER 149 N 0.61 0.00 1.06 1.72 0.02 -0.88 -2.68 113.55 113.40 3km4 h SER 149 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3km4 h SER 149 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3km4 h SER 149 CO -0.03 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.57 3km4 n GLN 150 N -3.11 0.09 -1.56 3.45 6.02 -0.84 -4.90 117.38 116.53 3km4 n GLN 150 Ca -0.02 0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 56.88 3km4 n GLN 150 Cb 0.26 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 3km4 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3km4 n GLY 151 N 1.44 1.35 0.07 1.08 0.00 -1.01 -4.90 105.19 103.21 3km4 n GLY 151 Ca 0.06 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.86 3km4 n GLY 151 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3km4 n VAL 152 N -2.74 0.63 -2.58 1.61 0.24 -1.26 -1.05 118.33 113.18 3km4 n VAL 152 Ca -0.16 -0.61 -0.38 0.00 -2.04 0.00 0.00 64.34 61.14 3km4 n VAL 152 Cb 0.53 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 32.53 3km4 n VAL 152 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3km4 s LEU 153 N -5.15 4.38 0.09 1.34 1.43 -1.26 0.45 118.68 119.96 3km4 s LEU 153 Ca -0.05 2.07 -0.35 0.00 -1.03 0.00 0.00 54.13 54.76 3km4 s LEU 153 Cb 0.10 -3.89 -0.16 0.00 0.03 0.00 0.00 46.19 42.27 3km4 s LEU 153 CO 0.85 -0.22 1.56 0.50 0.23 0.00 0.00 176.35 179.27 3km4 h LYS 154 N 3.26 -0.89 -5.69 1.70 3.64 -0.74 -3.32 116.57 114.53 3km4 h LYS 154 Ca -0.47 0.06 -0.47 0.00 -1.27 0.00 0.00 60.65 58.50 3km4 h LYS 154 Cb 1.21 0.20 -0.20 0.00 -0.41 0.00 0.00 32.23 33.03 3km4 h LYS 154 CO 0.65 -0.60 -0.79 -1.21 -2.27 0.00 0.00 179.45 175.24 3km4 s GLU 155 N -5.85 1.03 -1.52 1.90 0.41 -1.13 -4.73 118.70 108.82 3km4 s GLU 155 Ca -0.17 -1.16 -0.09 0.00 -0.41 0.00 0.00 54.97 53.13 3km4 s GLU 155 Cb 0.05 -1.08 -0.08 0.00 -1.78 0.00 0.00 34.13 31.24 3km4 s GLU 155 CO 0.61 0.23 2.95 -0.25 -0.49 0.00 0.00 175.26 178.31 3km4 n ASP 156 N 0.88 8.54 -4.31 -0.19 8.00 -1.26 -4.22 116.55 123.98 3km4 n ASP 156 Ca -0.18 -2.62 -0.16 0.00 0.71 0.00 0.00 54.79 52.53 3km4 n ASP 156 Cb 0.55 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.02 3km4 n ASP 156 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3km4 s VAL 157 N 1.77 0.86 0.11 2.53 -7.23 -1.26 -1.07 120.40 116.11 3km4 s VAL 157 Ca 0.68 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.77 3km4 s VAL 157 Cb 0.19 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 3km4 s VAL 157 CO -0.06 -0.29 0.19 0.72 -0.31 0.00 0.00 175.10 175.35 3km4 s PHE 158 N -3.54 0.31 0.06 2.82 -0.12 -0.41 0.44 117.98 117.54 3km4 s PHE 158 Ca 0.29 -0.73 -0.13 0.00 -0.05 0.00 0.00 56.93 56.31 3km4 s PHE 158 Cb 0.06 -0.12 0.02 0.00 -0.63 0.00 0.00 43.02 42.35 3km4 s PHE 158 CO 0.09 -0.58 0.29 -1.54 -0.05 0.00 0.00 175.22 173.42 3km4 s SER 159 N -2.91 -0.09 -0.06 1.98 1.04 -0.33 -0.44 113.70 112.89 3km4 s SER 159 Ca 0.10 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.30 3km4 s SER 159 Cb 0.05 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3km4 s SER 159 CO -0.06 -0.65 -0.16 -0.36 0.98 0.00 0.00 173.24 172.98 3km4 s PHE 160 N -2.85 1.72 -0.16 5.02 0.08 0.35 -1.30 117.98 120.83 3km4 s PHE 160 Ca -0.03 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.48 3km4 s PHE 160 Cb 0.00 -1.18 0.01 0.00 -0.57 0.00 0.00 43.02 41.28 3km4 s PHE 160 CO -0.05 -0.23 -0.21 -0.47 -0.10 0.00 0.00 175.22 174.17 3km4 s TYR 161 N 0.25 2.73 -0.23 0.36 5.04 0.75 -2.08 117.35 124.17 3km4 s TYR 161 Ca -0.09 -1.48 -0.03 0.00 -2.44 0.00 0.00 57.07 53.03 3km4 s TYR 161 Cb -0.13 -1.87 -0.00 0.00 0.35 0.00 0.00 41.96 40.30 3km4 s TYR 161 CO 0.03 -0.70 -0.05 0.71 -1.34 0.00 0.00 175.55 174.20 3km4 s TYR 162 N 1.05 2.97 0.72 4.97 2.02 -1.26 -0.39 117.35 127.44 3km4 s TYR 162 Ca -0.01 -1.06 -0.11 0.00 -0.37 0.00 0.00 57.07 55.51 3km4 s TYR 162 Cb -0.14 -2.10 0.03 0.00 -0.40 0.00 0.00 41.96 39.35 3km4 s TYR 162 CO -0.07 -0.59 1.10 1.21 -1.57 0.00 0.00 175.55 175.63 3km4 s ASN 163 N 1.45 5.25 0.14 2.29 3.84 -0.46 -4.24 114.94 123.21 3km4 s ASN 163 Ca 0.05 1.16 -0.22 0.00 0.21 0.00 0.00 52.86 54.06 3km4 s ASN 163 Cb -0.15 -1.94 -0.07 0.00 -0.55 0.00 0.00 41.25 38.54 3km4 s ASN 163 CO -0.04 -1.47 0.68 -0.13 -2.79 0.00 0.00 177.10 173.35 3km4 s ARG 164 N -5.32 4.36 -0.07 0.43 1.81 -1.26 -4.91 118.95 113.99 3km4 s ARG 164 Ca 0.59 0.93 -0.17 0.00 -1.72 0.00 0.00 55.73 55.36 3km4 s ARG 164 Cb -0.12 -3.19 -0.21 0.00 -0.45 0.00 0.00 34.95 30.99 3km4 s ARG 164 CO 0.52 0.57 1.39 -3.47 -0.68 0.00 0.00 175.30 173.63 3km4 n ASP 165 N 1.50 0.80 0.00 0.23 2.03 -1.26 -5.01 116.55 114.84 3km4 n ASP 165 Ca -0.07 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 52.94 3km4 n ASP 165 Cb 0.50 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 3km4 n ASP 165 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3km4 n GLN 170 N 6.62 0.00 -0.04 -0.67 6.02 -1.26 -5.07 117.38 122.98 3km4 n GLN 170 Ca 0.28 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.29 3km4 n GLN 170 Cb 0.24 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.37 3km4 n GLN 170 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3km4 n SER 171 N 0.00 1.14 -4.68 1.08 2.88 -1.26 -4.91 113.62 107.87 3km4 n SER 171 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 3km4 n SER 171 Cb 0.00 1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 64.85 3km4 n SER 171 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3km4 s LEU 172 N -4.56 4.28 0.42 2.46 2.96 -1.26 -4.90 118.68 118.08 3km4 s LEU 172 Ca -0.07 1.94 0.18 0.00 -0.22 0.00 0.00 54.13 55.96 3km4 s LEU 172 Cb 0.08 -3.56 0.95 0.00 0.50 0.00 0.00 46.19 44.17 3km4 s LEU 172 CO 0.68 -0.68 1.90 1.23 -1.32 0.00 0.00 176.35 178.16 3km4 h GLY 173 N 8.54 0.00 0.00 7.98 0.00 -1.85 -3.41 103.07 114.33 3km4 h GLY 173 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3km4 h GLY 173 CO 0.90 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.05 3km4 n GLY 174 N -0.46 -2.11 3.64 4.60 0.00 -0.94 -1.36 105.19 108.57 3km4 n GLY 174 Ca -0.02 -1.21 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 3km4 n GLY 174 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3km4 s GLN 175 N -1.84 0.52 -0.11 1.61 0.74 0.48 -0.17 119.66 120.89 3km4 s GLN 175 Ca 0.00 0.74 -0.01 0.00 0.05 0.00 0.00 55.36 56.14 3km4 s GLN 175 Cb 0.00 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.28 3km4 s GLN 175 CO 0.00 -0.08 -0.07 -1.50 -0.55 0.00 0.00 175.29 173.09 3km4 s ILE 176 N 0.78 3.62 -0.14 -2.34 2.07 -0.84 -0.18 121.20 124.18 3km4 s ILE 176 Ca -0.03 -0.48 -0.03 0.00 -1.41 0.00 0.00 60.65 58.70 3km4 s ILE 176 Cb -0.05 -2.53 -0.03 0.00 0.13 0.00 0.00 42.46 39.99 3km4 s ILE 176 CO -0.10 0.54 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.74 3km4 s VAL 177 N -0.13 3.89 -0.26 4.00 1.01 -0.42 -0.62 120.40 127.88 3km4 s VAL 177 Ca 0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 3km4 s VAL 177 Cb -0.13 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3km4 s VAL 177 CO 0.03 0.51 0.15 -0.76 0.00 0.00 0.00 175.10 175.04 3km4 s LEU 178 N 0.14 3.96 0.00 3.92 1.43 0.16 -1.18 118.68 127.11 3km4 s LEU 178 Ca -0.01 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3km4 s LEU 178 Cb -0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3km4 s LEU 178 CO 0.03 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.22 3km4 n GLY 179 N 4.67 0.69 0.00 -3.19 0.00 0.17 -2.10 105.19 105.43 3km4 n GLY 179 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3km4 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3km4 n GLY 180 N -2.03 -0.82 3.10 -0.02 0.00 -1.22 -2.82 105.19 101.38 3km4 n GLY 180 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 3km4 n GLY 180 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3km4 s SER 181 N -4.00 1.37 -0.42 1.61 0.01 -1.26 -3.80 113.70 107.21 3km4 s SER 181 Ca 0.00 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 56.67 3km4 s SER 181 Cb 0.00 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.17 3km4 s SER 181 CO 0.00 0.00 0.50 -0.62 0.41 0.00 0.00 173.24 173.53 3km4 s ASP 182 N -1.03 6.24 0.64 2.44 -1.08 -1.26 -4.98 116.67 117.64 3km4 s ASP 182 Ca -0.00 -0.50 0.42 0.00 -0.52 0.00 0.00 52.55 51.94 3km4 s ASP 182 Cb -0.07 -2.25 2.15 0.00 -1.46 0.00 0.00 42.92 41.29 3km4 s ASP 182 CO 0.01 -0.62 2.27 1.55 0.52 0.00 0.00 175.17 178.90 3km4 h PRO 183 N 8.73 0.00 0.00 4.34 0.13 -2.01 -0.85 132.00 142.35 3km4 h PRO 183 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3km4 h PRO 183 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3km4 h PRO 183 CO 0.82 0.00 0.00 0.37 -0.23 0.00 0.00 178.00 178.96 3km4 h GLN 184 N 0.00 0.00 0.00 0.86 4.15 -2.02 -3.25 115.11 114.85 3km4 h GLN 184 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3km4 h GLN 184 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3km4 h GLN 184 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.62 3km4 n HIS 185 N -2.79 0.00 -4.11 3.99 8.25 -0.32 -4.83 115.22 115.40 3km4 n HIS 185 Ca -0.02 -0.34 -0.10 0.00 -0.26 0.00 0.00 57.72 57.00 3km4 n HIS 185 Cb 0.11 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 3km4 n HIS 185 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3km4 s TYR 186 N -0.69 0.80 0.19 4.41 -0.85 -1.23 -1.06 117.35 118.92 3km4 s TYR 186 Ca 0.00 -1.13 0.07 0.00 -0.52 0.00 0.00 57.07 55.49 3km4 s TYR 186 Cb 0.00 -0.36 -0.05 0.00 0.38 0.00 0.00 41.96 41.93 3km4 s TYR 186 CO 0.00 -0.62 -0.14 -1.83 -1.52 0.00 0.00 175.55 171.44 3km4 s GLU 187 N -4.05 1.27 2.48 -3.49 -1.05 0.41 -4.76 118.70 109.51 3km4 s GLU 187 Ca 0.26 -1.53 0.00 0.00 -0.15 0.00 0.00 54.97 53.55 3km4 s GLU 187 Cb 0.06 -1.05 0.00 0.00 -0.44 0.00 0.00 34.13 32.70 3km4 s GLU 187 CO 0.04 0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.84 3km4 n GLY 188 N -0.24 0.91 3.87 -3.83 0.00 -1.26 -3.98 105.19 100.66 3km4 n GLY 188 Ca -0.09 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 3km4 n GLY 188 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3km4 s ASN 189 N -4.00 5.83 0.45 1.61 0.02 -1.26 -4.96 114.94 112.63 3km4 s ASN 189 Ca 0.00 -0.07 -0.24 0.00 -1.02 0.00 0.00 52.86 51.54 3km4 s ASN 189 Cb 0.00 -1.60 -0.07 0.00 0.02 0.00 0.00 41.25 39.59 3km4 s ASN 189 CO 0.00 0.01 1.19 -0.36 0.02 0.00 0.00 177.10 177.96 3km4 s PHE 190 N -1.89 2.87 -0.24 2.20 0.08 -1.26 -4.57 117.98 115.16 3km4 s PHE 190 Ca 0.33 1.52 -0.06 0.00 0.12 0.00 0.00 56.93 58.83 3km4 s PHE 190 Cb -0.09 -3.44 -0.02 0.00 -0.57 0.00 0.00 43.02 38.90 3km4 s PHE 190 CO 0.26 -1.61 0.03 -1.58 -0.10 0.00 0.00 175.22 172.22 3km4 s HIS 191 N -1.48 3.05 -0.13 0.36 5.65 0.70 -4.93 115.29 118.51 3km4 s HIS 191 Ca 0.62 -0.65 -0.07 0.00 0.25 0.00 0.00 55.06 55.22 3km4 s HIS 191 Cb -0.31 -2.20 -0.04 0.00 -1.18 0.00 0.00 32.58 28.86 3km4 s HIS 191 CO 0.38 -0.44 0.11 0.71 -0.65 0.00 0.00 174.74 174.85 3km4 s TYR 192 N 1.56 3.49 -0.03 3.88 2.02 -1.26 -1.60 117.35 125.41 3km4 s TYR 192 Ca 0.06 0.42 0.02 0.00 -0.37 0.00 0.00 57.07 57.20 3km4 s TYR 192 Cb -0.15 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 3km4 s TYR 192 CO 0.01 0.60 -0.06 0.42 -1.57 0.00 0.00 175.55 174.95 3km4 s ILE 193 N -0.72 0.56 0.50 2.71 1.01 -0.10 -4.96 121.20 120.19 3km4 s ILE 193 Ca 0.13 -0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 3km4 s ILE 193 Cb -0.12 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.75 3km4 s ILE 193 CO 0.03 0.20 1.33 0.20 0.00 0.00 0.00 174.94 176.70 3km4 s ASN 194 N 0.49 5.64 0.58 3.58 0.01 -1.26 -1.76 114.94 122.23 3km4 s ASN 194 Ca -0.07 2.70 -0.18 0.00 -0.71 0.00 0.00 52.86 54.61 3km4 s ASN 194 Cb -0.10 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 3km4 s ASN 194 CO 0.00 -1.31 1.14 -0.76 -1.51 0.00 0.00 177.10 174.66 3km4 s LEU 195 N -3.17 3.63 0.07 0.60 1.43 -0.91 -4.57 118.68 115.77 3km4 s LEU 195 Ca 0.67 2.17 -0.35 0.00 -1.03 0.00 0.00 54.13 55.59 3km4 s LEU 195 Cb -0.39 -4.58 -0.19 0.00 0.03 0.00 0.00 46.19 41.07 3km4 s LEU 195 CO 0.47 -1.41 1.60 0.40 0.23 0.00 0.00 176.35 177.65 3km4 h ILE 196 N 0.82 0.21 -3.84 -0.59 2.04 -1.74 -3.46 117.51 110.94 3km4 h ILE 196 Ca -0.49 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.11 3km4 h ILE 196 Cb 1.26 0.21 -0.15 0.00 -0.74 0.00 0.00 36.82 37.40 3km4 h ILE 196 CO 0.56 0.00 -0.67 -1.59 0.00 0.00 0.00 178.15 176.44 3km4 s LYS 197 N -6.02 1.00 0.85 2.37 -2.85 -1.26 -5.12 119.74 108.70 3km4 s LYS 197 Ca -0.18 -1.45 -0.11 0.00 -1.00 0.00 0.00 55.97 53.22 3km4 s LYS 197 Cb 0.03 -0.20 0.10 0.00 -2.06 0.00 0.00 37.83 35.71 3km4 s LYS 197 CO 0.61 -0.10 1.10 -0.08 0.10 0.00 0.00 175.35 176.98 3km4 s THR 198 N -3.68 2.85 0.00 3.79 -1.32 -1.26 -3.76 115.64 112.25 3km4 s THR 198 Ca 0.20 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.95 3km4 s THR 198 Cb 0.06 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 3km4 s THR 198 CO 0.01 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 172.67 3km4 n GLY 199 N -0.85 2.72 3.37 6.08 0.00 -1.26 -5.03 105.19 110.21 3km4 n GLY 199 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 3km4 n GLY 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3km4 s VAL 200 N -2.62 -0.01 -1.35 1.61 0.11 -1.25 -4.29 120.40 112.59 3km4 s VAL 200 Ca 0.00 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 58.98 3km4 s VAL 200 Cb 0.00 -0.69 0.11 0.00 -1.53 0.00 0.00 36.38 34.27 3km4 s VAL 200 CO 0.00 0.02 2.01 0.79 -3.33 0.00 0.00 175.10 174.59 3km4 n TRP 201 N 3.73 3.25 -4.11 1.54 7.02 -1.26 -4.72 117.44 122.89 3km4 n TRP 201 Ca -0.19 -2.88 -0.16 0.00 -1.02 0.00 0.00 57.50 53.25 3km4 n TRP 201 Cb 0.56 -2.22 -0.15 0.00 -2.42 0.00 0.00 31.31 27.09 3km4 n TRP 201 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 3km4 s GLN 202 N 1.63 0.44 0.22 -0.99 0.74 -1.26 -0.46 119.66 119.97 3km4 s GLN 202 Ca 0.43 -0.13 0.05 0.00 0.05 0.00 0.00 55.36 55.76 3km4 s GLN 202 Cb 0.11 -0.45 -0.05 0.00 1.10 0.00 0.00 33.01 33.72 3km4 s GLN 202 CO -0.03 0.05 -0.06 0.96 -0.55 0.00 0.00 175.29 175.65 3km4 s ILE 203 N 0.18 1.29 0.32 -2.34 -4.36 0.18 -2.11 121.20 114.36 3km4 s ILE 203 Ca -0.02 -2.08 -0.27 0.00 -0.26 0.00 0.00 60.65 58.01 3km4 s ILE 203 Cb -0.05 -2.20 -0.09 0.00 1.25 0.00 0.00 42.46 41.37 3km4 s ILE 203 CO -0.00 -0.46 1.08 -1.58 0.24 0.00 0.00 174.94 174.22 3km4 s GLN 204 N -3.78 4.46 0.03 0.37 2.00 -1.26 -1.39 119.66 120.10 3km4 s GLN 204 Ca 0.25 1.70 0.08 0.00 -2.00 0.00 0.00 55.36 55.39 3km4 s GLN 204 Cb 0.04 -2.95 -0.03 0.00 0.80 0.00 0.00 33.01 30.87 3km4 s GLN 204 CO 0.07 0.08 -0.24 1.41 -0.50 0.00 0.00 175.29 176.11 3km4 s MET 205 N -1.82 1.64 -0.27 1.67 -2.45 -0.12 -4.46 119.30 113.48 3km4 s MET 205 Ca 0.49 -1.00 0.09 0.00 -1.25 0.00 0.00 55.69 54.03 3km4 s MET 205 Cb -0.29 -1.76 0.46 0.00 1.25 0.00 0.00 34.83 34.50 3km4 s MET 205 CO 0.36 0.46 1.19 1.63 1.05 0.00 0.00 175.02 179.71 3km4 n LYS 206 N 1.92 3.04 0.00 4.11 5.02 0.06 -1.81 118.16 130.51 3km4 n LYS 206 Ca -0.17 -3.93 0.00 0.00 -2.02 0.00 0.00 58.31 52.20 3km4 n LYS 206 Cb 0.52 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 3km4 n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3km4 n GLY 207 N -0.75 4.78 2.97 0.72 0.00 -1.07 -4.77 105.19 107.07 3km4 n GLY 207 Ca 0.36 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 3km4 n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3km4 s VAL 208 N -1.76 1.40 0.05 1.61 1.01 -0.83 -0.79 120.40 121.08 3km4 s VAL 208 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3km4 s VAL 208 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3km4 s VAL 208 CO 0.00 0.34 -0.05 -0.44 0.00 0.00 0.00 175.10 174.95 3km4 s SER 209 N 1.54 4.73 -0.15 3.32 0.01 0.52 -1.54 113.70 122.13 3km4 s SER 209 Ca 0.03 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.12 3km4 s SER 209 Cb -0.14 -1.08 0.01 0.00 0.21 0.00 0.00 66.02 65.02 3km4 s SER 209 CO -0.09 0.23 -0.21 -0.69 0.41 0.00 0.00 173.24 172.89 3km4 s VAL 210 N -1.13 2.01 0.00 3.43 1.01 -0.51 -0.97 120.40 124.25 3km4 s VAL 210 Ca 0.20 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3km4 s VAL 210 Cb -0.11 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3km4 s VAL 210 CO 0.12 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3km4 n GLY 211 N 4.25 2.92 1.42 4.51 0.00 0.57 -1.62 105.19 117.24 3km4 n GLY 211 Ca -0.20 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3km4 n GLY 211 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3km4 n SER 212 N 3.94 4.54 -4.30 1.61 3.41 -1.26 -4.85 113.62 116.72 3km4 n SER 212 Ca 0.00 -2.51 -0.40 0.00 -0.26 0.00 0.00 58.87 55.69 3km4 n SER 212 Cb 0.00 -0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 63.30 3km4 n SER 212 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3km4 s SER 213 N -1.05 5.66 0.13 4.04 0.15 -0.64 -5.05 113.70 116.93 3km4 s SER 213 Ca 0.47 -1.35 -0.31 0.00 0.70 0.00 0.00 55.95 55.46 3km4 s SER 213 Cb 0.32 -1.99 -0.09 0.00 -1.71 0.00 0.00 66.02 62.54 3km4 s SER 213 CO 0.21 -0.49 1.53 -0.89 1.20 0.00 0.00 173.24 174.80 3km4 s THR 214 N 1.46 2.89 0.00 6.45 2.01 -1.26 -1.42 115.64 125.77 3km4 s THR 214 Ca 0.02 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.62 3km4 s THR 214 Cb -0.22 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 68.91 3km4 s THR 214 CO 0.03 0.04 0.00 -0.11 -0.69 0.00 0.00 174.62 173.89 3km4 n LEU 215 N 4.28 0.00 -4.16 4.42 7.94 -0.59 -4.95 117.00 123.94 3km4 n LEU 215 Ca 0.14 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.93 3km4 n LEU 215 Cb 0.40 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.25 3km4 n LEU 215 CO 0.61 0.00 -0.30 -0.76 -1.11 0.00 0.00 177.39 175.82 3km4 s LEU 216 N -3.91 1.87 -1.64 -1.96 1.43 -1.00 -4.90 118.68 108.57 3km4 s LEU 216 Ca 0.00 -1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 51.89 3km4 s LEU 216 Cb 0.00 0.23 0.00 0.00 0.03 0.00 0.00 46.19 46.46 3km4 s LEU 216 CO 0.00 -0.70 0.20 0.00 0.23 0.00 0.00 176.35 176.09 3km4 h GLU 218 N -0.46 0.70 -0.32 0.00 5.08 -1.90 -2.27 114.58 115.42 3km4 h GLU 218 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3km4 h GLU 218 Cb 1.35 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3km4 h GLU 218 CO 0.56 0.47 0.00 -0.25 -1.00 0.00 0.00 179.01 178.79 3km4 n ASP 219 N -4.73 2.24 0.00 1.42 8.00 -1.26 -4.78 116.55 117.44 3km4 n ASP 219 Ca 0.05 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.67 3km4 n ASP 219 Cb 0.06 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 3km4 n ASP 219 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3km4 n GLY 220 N 1.22 2.84 3.11 0.44 0.00 -0.88 -5.09 105.19 106.84 3km4 n GLY 220 Ca 0.16 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 3km4 n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3km4 s LEU 222 N 0.00 3.43 -0.23 0.00 1.43 -1.26 -0.95 118.68 121.10 3km4 s LEU 222 Ca 0.17 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3km4 s LEU 222 Cb -0.03 -2.16 0.07 0.00 0.03 0.00 0.00 46.19 44.10 3km4 s LEU 222 CO 0.13 0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.87 3km4 s ALA 223 N -1.34 1.58 -0.02 4.21 0.00 -0.49 0.09 121.76 125.78 3km4 s ALA 223 Ca 0.26 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 3km4 s ALA 223 Cb -0.11 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 3km4 s ALA 223 CO 0.18 -1.25 1.13 -1.17 0.00 0.00 0.00 175.76 174.65 3km4 s LEU 224 N 1.58 4.31 -0.55 0.00 2.96 0.67 -0.65 118.68 127.00 3km4 s LEU 224 Ca -0.02 1.79 -0.19 0.00 -0.22 0.00 0.00 54.13 55.50 3km4 s LEU 224 Cb -0.18 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.02 3km4 s LEU 224 CO -0.09 -0.48 0.67 -0.69 -1.32 0.00 0.00 176.35 174.44 3km4 s VAL 225 N 1.67 4.83 -0.42 1.68 1.01 0.39 0.53 120.40 130.09 3km4 s VAL 225 Ca 0.55 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3km4 s VAL 225 Cb -0.24 -4.39 0.12 0.00 0.00 0.00 0.00 36.38 31.87 3km4 s VAL 225 CO 0.24 -0.96 0.18 -0.62 0.00 0.00 0.00 175.10 173.94 3km4 s ASP 226 N 3.11 4.17 0.34 3.32 -1.08 -0.31 -4.61 116.67 121.60 3km4 s ASP 226 Ca 0.14 -2.47 0.26 0.00 -0.52 0.00 0.00 52.55 49.95 3km4 s ASP 226 Cb -0.21 -1.32 1.15 0.00 -1.46 0.00 0.00 42.92 41.08 3km4 s ASP 226 CO 0.10 -0.31 1.78 0.71 0.52 0.00 0.00 175.17 177.97 3km4 h THR 227 N 5.83 0.00 -0.00 1.71 1.35 -1.84 -0.51 112.91 119.45 3km4 h THR 227 Ca -0.06 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3km4 h THR 227 Cb 0.95 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3km4 h THR 227 CO 0.55 0.00 -0.26 0.61 -0.25 0.00 0.00 175.52 176.17 3km4 n GLY 228 N -0.27 -1.25 3.70 5.82 0.00 -1.26 -4.72 105.19 107.22 3km4 n GLY 228 Ca 0.01 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3km4 n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3km4 s ALA 229 N -2.88 3.33 -0.01 4.61 0.00 -0.20 -4.96 121.76 121.64 3km4 s ALA 229 Ca 0.16 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 3km4 s ALA 229 Cb 0.19 -3.30 -0.19 0.00 0.00 0.00 0.00 23.12 19.82 3km4 s ALA 229 CO 0.60 -0.41 1.30 0.77 0.00 0.00 0.00 175.76 178.02 3km4 h SER 230 N 6.98 0.05 -0.90 0.00 0.02 -1.87 0.35 113.55 118.18 3km4 h SER 230 Ca -0.36 -0.47 -0.51 0.00 -0.84 0.00 0.00 61.79 59.62 3km4 h SER 230 Cb 1.18 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3km4 h SER 230 CO 0.80 0.51 -0.21 -0.31 -1.14 0.00 0.00 176.83 176.47 3km4 s TYR 231 N -4.34 1.82 0.14 3.45 2.02 -1.26 -3.09 117.35 116.09 3km4 s TYR 231 Ca -0.16 -0.69 -0.30 0.00 -0.37 0.00 0.00 57.07 55.56 3km4 s TYR 231 Cb 0.02 -2.14 -0.07 0.00 -0.40 0.00 0.00 41.96 39.38 3km4 s TYR 231 CO 0.68 -0.73 1.04 0.42 -1.57 0.00 0.00 175.55 175.40 3km4 s ILE 232 N -2.63 4.16 0.21 2.71 1.01 -1.02 -3.53 121.20 122.11 3km4 s ILE 232 Ca 0.51 1.81 0.11 0.00 0.00 0.00 0.00 60.65 63.09 3km4 s ILE 232 Cb -0.05 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3km4 s ILE 232 CO 0.32 0.29 -0.22 -0.94 0.00 0.00 0.00 174.94 174.38 3km4 s SER 233 N -0.00 3.52 0.23 3.58 1.04 -0.31 -1.23 113.70 120.52 3km4 s SER 233 Ca 0.49 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3km4 s SER 233 Cb -0.27 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.51 3km4 s SER 233 CO 0.32 0.10 0.12 -0.83 0.98 0.00 0.00 173.24 173.93 3km4 s GLY 234 N -2.87 1.60 0.59 7.32 0.00 -0.84 -0.62 107.32 112.49 3km4 s GLY 234 Ca 0.23 -1.78 -0.19 0.00 0.00 0.00 0.00 44.72 42.98 3km4 s GLY 234 CO 0.11 -1.50 1.03 -1.14 0.00 0.00 0.00 173.10 171.61 3km4 n SER 235 N -0.38 1.09 -0.25 1.64 3.41 -1.26 -0.34 113.62 117.53 3km4 n SER 235 Ca 0.01 0.84 0.02 0.00 -0.26 0.00 0.00 58.87 59.48 3km4 n SER 235 Cb 0.66 -1.42 0.10 0.00 -0.26 0.00 0.00 64.21 63.29 3km4 n SER 235 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3km4 h THR 236 N 0.65 0.28 -0.59 6.66 2.02 -1.92 -0.02 112.91 119.99 3km4 h THR 236 Ca -0.49 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 3km4 h THR 236 Cb 1.35 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3km4 h THR 236 CO 0.52 0.00 0.13 0.77 0.37 0.00 0.00 175.52 177.31 3km4 h SER 237 N 0.02 0.87 -0.23 4.18 4.64 -2.00 -0.73 113.55 120.30 3km4 h SER 237 Ca 0.36 -0.17 -0.19 0.00 -0.47 0.00 0.00 61.79 61.32 3km4 h SER 237 Cb 0.57 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3km4 h SER 237 CO -0.73 0.85 -0.57 0.28 -0.87 0.00 0.00 176.83 175.79 3km4 h SER 238 N 0.88 0.93 -0.25 4.97 0.02 -1.67 -2.53 113.55 115.90 3km4 h SER 238 Ca 0.19 -0.51 -0.11 0.00 -0.84 0.00 0.00 61.79 60.52 3km4 h SER 238 Cb 0.33 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3km4 h SER 238 CO 0.00 1.30 -0.23 0.40 -1.14 0.00 0.00 176.83 177.16 3km4 h ILE 239 N 0.63 1.27 -0.52 3.27 1.08 -0.79 0.40 117.51 122.84 3km4 h ILE 239 Ca 0.01 -1.34 0.01 0.00 -0.39 0.00 0.00 64.86 63.15 3km4 h ILE 239 Cb 1.18 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 36.14 3km4 h ILE 239 CO 0.12 0.44 0.35 -0.33 -0.69 0.00 0.00 178.15 178.04 3km4 h GLU 240 N 0.63 0.69 -0.29 2.37 5.08 -1.11 0.10 114.58 122.06 3km4 h GLU 240 Ca 0.09 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3km4 h GLU 240 Cb 0.73 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3km4 h GLU 240 CO 0.06 0.46 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.25 3km4 h LYS 241 N 0.71 0.55 -0.38 2.33 3.64 -1.21 -2.34 116.57 119.86 3km4 h LYS 241 Ca 0.19 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3km4 h LYS 241 Cb -0.08 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3km4 h LYS 241 CO -0.04 0.74 0.21 1.25 -2.27 0.00 0.00 179.45 179.34 3km4 h LEU 242 N 0.32 0.34 -1.36 5.20 5.85 -0.75 -2.53 115.31 122.37 3km4 h LEU 242 Ca 0.08 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3km4 h LEU 242 Cb 0.52 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3km4 h LEU 242 CO 0.03 0.24 -0.24 0.24 -0.34 0.00 0.00 178.44 178.37 3km4 h MET 243 N 0.43 0.12 0.22 1.25 2.86 -0.72 -2.37 114.93 116.73 3km4 h MET 243 Ca 0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3km4 h MET 243 Cb 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3km4 h MET 243 CO -0.08 0.36 -0.11 1.49 1.06 0.00 0.00 176.91 179.63 3km4 h GLU 244 N 0.12 -0.28 -1.01 1.72 4.81 -1.18 -1.69 114.58 117.07 3km4 h GLU 244 Ca 0.02 0.02 0.27 0.00 -0.13 0.00 0.00 59.36 59.54 3km4 h GLU 244 Cb 0.49 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 3km4 h GLU 244 CO 0.03 -0.14 0.69 0.00 -0.73 0.00 0.00 179.01 178.86 3km4 h ALA 245 N 0.41 2.56 -0.01 2.92 0.00 -1.15 -1.82 119.26 122.17 3km4 h ALA 245 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3km4 h ALA 245 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3km4 h ALA 245 CO 0.05 -0.89 -0.37 1.28 0.00 0.00 0.00 179.25 179.32 3km4 n LEU 246 N -4.42 1.13 -0.95 0.00 4.77 -0.92 -4.95 117.00 111.65 3km4 n LEU 246 Ca 0.22 -0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 55.75 3km4 n LEU 246 Cb 0.94 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.86 3km4 n LEU 246 CO 0.33 0.22 -0.12 0.61 -1.33 0.00 0.00 177.39 177.10 3km4 n GLY 247 N 1.39 1.33 3.85 -0.72 0.00 -0.69 -5.00 105.19 105.34 3km4 n GLY 247 Ca 0.10 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3km4 n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3km4 s ALA 248 N -2.42 3.14 -0.06 4.61 0.00 -0.71 -4.87 121.76 121.45 3km4 s ALA 248 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3km4 s ALA 248 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 3km4 s ALA 248 CO 0.00 -0.11 -0.13 0.15 0.00 0.00 0.00 175.76 175.68 3km4 s LYS 249 N -3.85 2.57 0.21 0.00 -0.14 0.38 -4.73 119.74 114.19 3km4 s LYS 249 Ca 0.57 -0.67 -0.28 0.00 -1.36 0.00 0.00 55.97 54.24 3km4 s LYS 249 Cb -0.10 -2.42 -0.09 0.00 -1.68 0.00 0.00 37.83 33.54 3km4 s LYS 249 CO 0.28 0.62 0.86 0.21 -0.76 0.00 0.00 175.35 176.57 3km4 s LYS 250 N -0.72 4.71 0.18 1.68 2.20 -1.26 -1.25 119.74 125.28 3km4 s LYS 250 Ca 0.11 1.33 0.01 0.00 -0.36 0.00 0.00 55.97 57.05 3km4 s LYS 250 Cb -0.11 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 32.97 3km4 s LYS 250 CO 0.01 0.53 0.03 0.54 -0.36 0.00 0.00 175.35 176.09 3km4 n ARG 251 N 1.48 1.20 -0.02 4.03 1.74 0.69 -4.97 116.66 120.81 3km4 n ARG 251 Ca -0.03 -1.42 -0.01 0.00 -0.77 0.00 0.00 57.85 55.61 3km4 n ARG 251 Cb 0.48 0.54 0.26 0.00 -1.02 0.00 0.00 32.46 32.73 3km4 n ARG 251 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3km4 h LEU 252 N 0.00 0.55 -0.53 0.55 5.85 -2.04 -3.25 115.31 116.44 3km4 h LEU 252 Ca -0.15 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3km4 h LEU 252 Cb 0.49 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3km4 h LEU 252 CO 0.24 0.63 0.00 0.49 -0.34 0.00 0.00 178.44 179.46 3km4 n PHE 253 N -4.26 0.00 -3.87 1.25 3.72 -1.26 -5.09 117.46 107.95 3km4 n PHE 253 Ca 0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.34 3km4 n PHE 253 Cb 0.26 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 3km4 n PHE 253 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3km4 s ASP 254 N -0.43 -0.18 -0.09 4.37 -4.77 -1.23 -5.11 116.67 109.23 3km4 s ASP 254 Ca 0.00 -0.75 -0.00 0.00 -3.30 0.00 0.00 52.55 48.50 3km4 s ASP 254 Cb 0.00 0.74 -0.03 0.00 -1.09 0.00 0.00 42.92 42.54 3km4 s ASP 254 CO 0.00 -1.39 -0.05 -0.31 0.70 0.00 0.00 175.17 174.12 3km4 s TYR 255 N -3.63 3.00 0.08 2.11 2.02 -1.26 -0.22 117.35 119.45 3km4 s TYR 255 Ca 0.13 0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.87 3km4 s TYR 255 Cb -0.05 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3km4 s TYR 255 CO 0.08 0.30 -0.11 0.14 -1.57 0.00 0.00 175.55 174.39 3km4 s VAL 256 N -0.63 0.92 0.32 0.71 -7.23 -0.38 -1.29 120.40 112.82 3km4 s VAL 256 Ca 0.10 -1.46 0.10 0.00 -1.81 0.00 0.00 61.98 58.91 3km4 s VAL 256 Cb -0.12 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 3km4 s VAL 256 CO 0.02 -0.44 -0.04 0.68 -0.31 0.00 0.00 175.10 175.01 3km4 s VAL 257 N -1.96 2.69 0.36 1.32 -7.23 -0.73 -0.47 120.40 114.38 3km4 s VAL 257 Ca 0.01 -2.06 -0.28 0.00 -1.81 0.00 0.00 61.98 57.84 3km4 s VAL 257 Cb -0.06 -2.70 -0.10 0.00 0.56 0.00 0.00 36.38 34.08 3km4 s VAL 257 CO 0.01 -0.26 1.34 -0.54 -0.31 0.00 0.00 175.10 175.33 3km4 s LYS 258 N -3.66 4.21 0.40 4.82 1.02 -1.26 -0.51 119.74 124.76 3km4 s LYS 258 Ca 0.33 2.26 0.08 0.00 0.02 0.00 0.00 55.97 58.66 3km4 s LYS 258 Cb -0.02 -2.97 0.83 0.00 -0.52 0.00 0.00 37.83 35.16 3km4 s LYS 258 CO 0.18 -0.33 2.01 0.00 -0.92 0.00 0.00 175.35 176.29 3km4 h ASN 260 N 0.44 0.00 1.38 0.00 -1.07 -1.50 -2.86 115.58 111.97 3km4 h ASN 260 Ca 0.11 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.39 3km4 h ASN 260 Cb 0.10 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.33 3km4 h ASN 260 CO -0.01 0.09 -0.64 -0.33 0.07 0.00 0.00 177.43 176.61 3km4 h GLU 261 N 0.00 0.00 -0.51 4.14 5.08 -1.27 -3.40 114.58 118.63 3km4 h GLU 261 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3km4 h GLU 261 Cb 0.53 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 3km4 h GLU 261 CO 0.01 0.30 -0.30 0.41 -1.00 0.00 0.00 179.01 178.44 3km4 n GLY 262 N 1.23 -2.20 0.31 -3.84 0.00 -1.04 -2.53 105.19 97.11 3km4 n GLY 262 Ca -0.00 0.77 0.15 0.00 0.00 0.00 0.00 46.02 46.94 3km4 n GLY 262 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3km4 h PRO 263 N 0.00 0.00 -0.43 1.61 0.11 -1.78 -2.03 132.00 129.48 3km4 h PRO 263 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3km4 h PRO 263 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3km4 h PRO 263 CO -0.48 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.56 3km4 n THR 264 N -3.94 2.34 -1.63 -1.15 -2.24 -1.05 -4.88 114.28 101.73 3km4 n THR 264 Ca -0.01 -1.57 -0.35 0.00 -2.27 0.00 0.00 64.05 59.85 3km4 n THR 264 Cb 0.20 -0.17 0.08 0.00 -2.10 0.00 0.00 70.33 68.33 3km4 n THR 264 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3km4 s LEU 265 N -2.58 3.45 0.81 3.22 1.43 -0.76 -5.00 118.68 119.25 3km4 s LEU 265 Ca 0.47 2.44 -0.11 0.00 -1.03 0.00 0.00 54.13 55.90 3km4 s LEU 265 Cb 0.36 -4.60 0.08 0.00 0.03 0.00 0.00 46.19 42.06 3km4 s LEU 265 CO 0.14 -2.07 1.09 -2.16 0.23 0.00 0.00 176.35 173.58 3km4 s PRO 266 N -3.66 1.93 0.63 1.29 0.04 -1.26 -4.60 135.00 129.37 3km4 s PRO 266 Ca 0.77 1.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 3km4 s PRO 266 Cb -0.32 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3km4 s PRO 266 CO 0.41 -1.83 1.17 -0.51 0.04 0.00 0.00 177.00 176.28 3km4 s ASP 267 N -3.43 5.07 -0.11 6.66 1.01 -1.26 -4.52 116.67 120.09 3km4 s ASP 267 Ca 0.62 2.24 -0.01 0.00 0.71 0.00 0.00 52.55 56.11 3km4 s ASP 267 Cb -0.17 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 3km4 s ASP 267 CO 0.56 -1.67 -0.07 -0.63 0.21 0.00 0.00 175.17 173.57 3km4 s ILE 268 N -1.91 3.61 -0.01 0.77 1.01 -0.38 -0.32 121.20 123.97 3km4 s ILE 268 Ca 0.73 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.94 3km4 s ILE 268 Cb -0.26 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 3km4 s ILE 268 CO 0.37 0.55 -0.15 -0.44 0.00 0.00 0.00 174.94 175.26 3km4 s SER 269 N -0.15 1.74 -0.19 3.58 0.01 -0.14 -0.78 113.70 117.78 3km4 s SER 269 Ca 0.02 -0.27 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 3km4 s SER 269 Cb -0.13 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 3km4 s SER 269 CO 0.03 0.18 -0.08 -0.36 0.41 0.00 0.00 173.24 173.42 3km4 s PHE 270 N -0.35 2.91 -0.48 2.43 0.08 -0.09 -0.36 117.98 122.12 3km4 s PHE 270 Ca 0.06 -0.85 -0.18 0.00 0.12 0.00 0.00 56.93 56.07 3km4 s PHE 270 Cb -0.06 -2.00 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 3km4 s PHE 270 CO -0.01 -0.43 0.57 -1.58 -0.10 0.00 0.00 175.22 173.67 3km4 s HIS 271 N 1.04 3.10 -0.06 0.36 2.46 0.03 0.25 115.29 122.47 3km4 s HIS 271 Ca -0.00 -0.51 0.02 0.00 0.47 0.00 0.00 55.06 55.04 3km4 s HIS 271 Cb -0.15 -3.36 0.02 0.00 -0.13 0.00 0.00 32.58 28.96 3km4 s HIS 271 CO -0.01 -0.93 -0.09 -0.51 -2.47 0.00 0.00 174.74 170.73 3km4 s LEU 272 N 2.44 1.51 -1.43 8.88 1.43 -0.37 -0.76 118.68 130.38 3km4 s LEU 272 Ca 0.14 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3km4 s LEU 272 Cb -0.19 -0.66 0.05 0.00 0.03 0.00 0.00 46.19 45.42 3km4 s LEU 272 CO 0.12 -0.01 0.92 0.61 0.23 0.00 0.00 176.35 178.22 3km4 n GLY 273 N 3.92 -0.43 3.02 -3.19 0.00 -1.26 -1.66 105.19 105.59 3km4 n GLY 273 Ca -0.24 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3km4 n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3km4 n GLY 274 N -1.67 0.51 3.32 -0.02 0.00 -1.26 -5.01 105.19 101.05 3km4 n GLY 274 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3km4 n GLY 274 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3km4 s LYS 275 N -0.52 1.26 -0.26 1.61 1.02 -0.66 -5.12 119.74 117.06 3km4 s LYS 275 Ca 0.00 -1.55 -0.15 0.00 0.02 0.00 0.00 55.97 54.29 3km4 s LYS 275 Cb 0.00 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.29 3km4 s LYS 275 CO 0.00 0.15 0.38 -1.21 -0.92 0.00 0.00 175.35 173.75 3km4 s GLU 276 N -3.67 4.03 -0.42 1.68 0.41 -1.26 -1.23 118.70 118.24 3km4 s GLU 276 Ca 0.21 0.06 -0.14 0.00 -0.41 0.00 0.00 54.97 54.69 3km4 s GLU 276 Cb 0.00 -3.64 0.03 0.00 -1.78 0.00 0.00 34.13 28.74 3km4 s GLU 276 CO 0.05 -0.26 0.30 0.71 -0.49 0.00 0.00 175.26 175.57 3km4 s TYR 277 N 2.00 3.25 -0.12 1.61 2.02 0.14 -4.88 117.35 121.36 3km4 s TYR 277 Ca 0.15 -0.77 -0.03 0.00 -0.37 0.00 0.00 57.07 56.05 3km4 s TYR 277 Cb -0.16 -2.69 -0.03 0.00 -0.40 0.00 0.00 41.96 38.68 3km4 s TYR 277 CO 0.10 -0.65 -0.01 0.99 -1.57 0.00 0.00 175.55 174.41 3km4 s THR 278 N 1.64 4.20 -0.17 -0.71 2.01 -1.26 -0.91 115.64 120.44 3km4 s THR 278 Ca 0.04 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 3km4 s THR 278 Cb -0.20 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 3km4 s THR 278 CO 0.08 0.55 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.72 3km4 s LEU 279 N -0.28 2.88 0.87 4.42 1.02 0.04 -4.99 118.68 122.64 3km4 s LEU 279 Ca 0.06 -0.31 -0.13 0.00 0.02 0.00 0.00 54.13 53.76 3km4 s LEU 279 Cb -0.12 -1.69 0.12 0.00 0.02 0.00 0.00 46.19 44.52 3km4 s LEU 279 CO 0.02 0.10 1.21 0.42 0.02 0.00 0.00 176.35 178.12 3km4 s THR 280 N 0.77 1.99 0.34 5.49 -4.23 -1.26 -1.25 115.64 117.48 3km4 s THR 280 Ca -0.03 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.71 3km4 s THR 280 Cb -0.15 -2.96 0.23 0.00 1.34 0.00 0.00 72.50 70.97 3km4 s THR 280 CO 0.02 0.00 1.96 0.77 -0.54 0.00 0.00 174.62 176.82 3km4 h SER 281 N -1.31 0.00 -0.35 3.99 4.64 -1.81 -0.70 113.55 118.01 3km4 h SER 281 Ca -0.46 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.89 3km4 h SER 281 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 3km4 h SER 281 CO 0.57 0.20 0.24 0.00 -0.87 0.00 0.00 176.83 176.97 3km4 h ALA 282 N 1.80 1.92 0.00 5.18 0.00 -1.88 0.12 119.26 126.39 3km4 h ALA 282 Ca -0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3km4 h ALA 282 Cb 0.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3km4 h ALA 282 CO 0.03 0.03 -0.89 -0.44 0.00 0.00 0.00 179.25 177.98 3km4 h ASP 283 N 0.33 0.00 -0.00 0.00 3.32 -1.49 -3.39 116.42 115.18 3km4 h ASP 283 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3km4 h ASP 283 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3km4 h ASP 283 CO -0.03 0.89 -0.06 0.00 -1.72 0.00 0.00 179.24 178.32 3km4 n TYR 284 N -3.32 0.00 -3.94 4.55 0.18 -0.95 -4.95 117.16 108.73 3km4 n TYR 284 Ca 0.00 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.43 3km4 n TYR 284 Cb 0.90 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.75 3km4 n TYR 284 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3km4 s VAL 285 N -0.76 4.71 -0.82 -3.48 1.01 0.37 -0.07 120.40 121.35 3km4 s VAL 285 Ca 0.02 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 3km4 s VAL 285 Cb 0.02 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3km4 s VAL 285 CO 0.07 0.42 1.55 -0.36 0.00 0.00 0.00 175.10 176.78 3km4 s PHE 286 N 0.72 2.16 -1.39 5.22 0.08 0.09 -4.79 117.98 120.06 3km4 s PHE 286 Ca 0.04 -0.01 -0.16 0.00 0.12 0.00 0.00 56.93 56.92 3km4 s PHE 286 Cb -0.13 -4.45 0.05 0.00 -0.57 0.00 0.00 43.02 37.92 3km4 s PHE 286 CO 0.02 -2.03 2.03 1.04 -0.10 0.00 0.00 175.22 176.18 3km4 n GLN 287 N 9.12 3.00 0.27 0.44 1.13 -1.26 -4.23 117.38 125.85 3km4 n GLN 287 Ca 0.21 -2.89 0.16 0.00 -1.94 0.00 0.00 57.00 52.55 3km4 n GLN 287 Cb 0.50 -3.37 0.70 0.00 0.11 0.00 0.00 30.24 28.18 3km4 n GLN 287 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3km4 h GLU 288 N 6.63 0.00 -3.45 -1.09 3.07 -1.95 -3.45 114.58 114.34 3km4 h GLU 288 Ca 0.52 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.34 3km4 h GLU 288 Cb 0.73 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.53 3km4 h GLU 288 CO 1.71 0.04 -0.06 0.45 -1.40 0.00 0.00 179.01 179.75 3km4 s SER 289 N -5.75 -0.19 -0.10 1.42 0.15 -1.26 -5.03 113.70 102.94 3km4 s SER 289 Ca 0.00 -0.57 0.14 0.00 0.70 0.00 0.00 55.95 56.22 3km4 s SER 289 Cb 0.10 0.54 0.40 0.00 -1.71 0.00 0.00 66.02 65.34 3km4 s SER 289 CO 0.55 -1.01 1.31 -1.22 1.20 0.00 0.00 173.24 174.07 3km4 n TYR 290 N -0.31 0.63 -2.48 3.44 4.01 -1.26 -4.74 117.16 116.45 3km4 n TYR 290 Ca -0.10 -0.74 -0.41 0.00 -0.16 0.00 0.00 57.90 56.50 3km4 n TYR 290 Cb 0.63 -0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 39.43 3km4 n TYR 290 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3km4 s SER 291 N -1.66 7.24 0.02 7.72 0.15 -1.26 -2.70 113.70 123.21 3km4 s SER 291 Ca 0.32 2.17 0.14 0.00 0.70 0.00 0.00 55.95 59.28 3km4 s SER 291 Cb 0.24 -2.61 0.60 0.00 -1.71 0.00 0.00 66.02 62.54 3km4 s SER 291 CO 0.10 -0.22 1.45 -1.54 1.20 0.00 0.00 173.24 174.23 3km4 n SER 292 N 2.02 0.05 -0.50 5.45 3.41 -1.26 -2.44 113.62 120.34 3km4 n SER 292 Ca 0.02 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 3km4 n SER 292 Cb 0.45 -0.52 0.41 0.00 -0.26 0.00 0.00 64.21 64.29 3km4 n SER 292 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3km4 n LYS 293 N -1.55 1.67 -4.23 4.33 5.02 -1.26 -4.81 118.16 117.32 3km4 n LYS 293 Ca 0.03 -1.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.14 3km4 n LYS 293 Cb 0.16 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 3km4 n LYS 293 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3km4 s LYS 294 N -1.83 0.99 -0.11 1.97 -0.14 -1.02 -5.06 119.74 114.53 3km4 s LYS 294 Ca 0.33 -1.17 -0.00 0.00 -1.36 0.00 0.00 55.97 53.76 3km4 s LYS 294 Cb 0.18 -0.93 -0.02 0.00 -1.68 0.00 0.00 37.83 35.37 3km4 s LYS 294 CO 0.27 0.19 -0.10 -0.51 -0.76 0.00 0.00 175.35 174.44 3km4 s LEU 295 N -2.26 2.94 -0.14 3.17 1.43 -1.26 -1.09 118.68 121.48 3km4 s LEU 295 Ca 0.06 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3km4 s LEU 295 Cb -0.06 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3km4 s LEU 295 CO 0.03 0.23 -0.11 0.00 0.23 0.00 0.00 176.35 176.73 3km4 s THR 297 N 0.37 3.61 0.10 0.00 2.01 -1.26 -1.77 115.64 118.71 3km4 s THR 297 Ca -0.09 1.29 -0.25 0.00 0.31 0.00 0.00 61.69 62.96 3km4 s THR 297 Cb -0.15 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.46 3km4 s THR 297 CO 0.05 0.18 0.77 -0.76 -0.69 0.00 0.00 174.62 174.16 3km4 s LEU 298 N 0.14 4.52 -0.21 4.42 1.02 -0.41 -0.73 118.68 127.43 3km4 s LEU 298 Ca 0.55 1.54 -0.04 0.00 0.02 0.00 0.00 54.13 56.20 3km4 s LEU 298 Cb -0.33 -3.25 -0.09 0.00 0.02 0.00 0.00 46.19 42.54 3km4 s LEU 298 CO 0.35 0.11 3.08 0.00 0.02 0.00 0.00 176.35 179.91 3km4 n ALA 299 N 2.21 6.20 -3.29 4.21 0.00 0.89 -4.64 120.51 126.09 3km4 n ALA 299 Ca -0.04 -2.22 -0.13 0.00 0.00 0.00 0.00 53.44 51.05 3km4 n ALA 299 Cb 0.49 -2.11 -0.11 0.00 0.00 0.00 0.00 19.45 17.72 3km4 n ALA 299 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3km4 s ILE 300 N -0.61 -0.01 0.31 0.00 1.01 -1.26 -2.43 121.20 118.21 3km4 s ILE 300 Ca 0.58 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 61.19 3km4 s ILE 300 Cb 0.32 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 42.39 3km4 s ILE 300 CO -0.09 0.01 0.51 1.57 0.00 0.00 0.00 174.94 176.94 3km4 n HIS 301 N 3.17 -1.66 -3.23 3.97 -0.00 -0.37 -4.65 115.22 112.45 3km4 n HIS 301 Ca -0.15 -1.75 -0.38 0.00 0.46 0.00 0.00 57.72 55.90 3km4 n HIS 301 Cb 0.57 0.59 -0.06 0.00 -0.12 0.00 0.00 29.99 30.97 3km4 n HIS 301 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3km4 s ALA 302 N -2.26 3.54 -0.23 1.57 0.00 -1.26 -1.98 121.76 121.14 3km4 s ALA 302 Ca 0.19 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 3km4 s ALA 302 Cb -0.02 -2.68 0.12 0.00 0.00 0.00 0.00 23.12 20.54 3km4 s ALA 302 CO 0.14 0.39 0.40 1.41 0.00 0.00 0.00 175.76 178.10 3km4 s MET 303 N -1.41 0.35 -0.55 0.00 0.00 0.54 -4.86 119.30 113.37 3km4 s MET 303 Ca 0.34 0.73 -0.26 0.00 0.00 0.00 0.00 55.69 56.49 3km4 s MET 303 Cb -0.19 -0.15 0.03 0.00 0.00 0.00 0.00 34.83 34.53 3km4 s MET 303 CO 0.20 -0.51 1.07 -0.51 0.00 0.00 0.00 175.02 175.27 3km4 s ASP 304 N 2.59 6.42 -0.14 1.11 1.01 -1.26 -4.17 116.67 122.23 3km4 s ASP 304 Ca 0.08 -0.05 -0.16 0.00 0.71 0.00 0.00 52.55 53.13 3km4 s ASP 304 Cb -0.14 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3km4 s ASP 304 CO -0.15 -1.33 0.40 -0.63 0.21 0.00 0.00 175.17 173.67 3km4 s ILE 305 N 4.43 5.24 0.60 0.77 1.01 -1.26 -5.06 121.20 126.92 3km4 s ILE 305 Ca 0.38 0.79 -0.15 0.00 0.00 0.00 0.00 60.65 61.67 3km4 s ILE 305 Cb -0.10 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3km4 s ILE 305 CO 0.23 0.35 1.04 -2.84 0.00 0.00 0.00 174.94 173.72 3km4 s PRO 306 N 0.59 3.40 0.74 2.79 0.02 -1.26 -3.50 135.00 137.78 3km4 s PRO 306 Ca 0.22 1.09 -0.16 0.00 0.02 0.00 0.00 61.00 62.17 3km4 s PRO 306 Cb -0.14 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 3km4 s PRO 306 CO 0.08 -0.73 0.50 -0.35 -0.33 0.00 0.00 177.00 176.16 3km4 n PRO 307 N -2.16 0.24 0.26 5.54 -0.04 -1.20 -1.18 135.00 136.46 3km4 n PRO 307 Ca 0.08 0.12 0.15 0.00 -0.04 0.00 0.00 63.50 63.82 3km4 n PRO 307 Cb 0.53 -1.81 0.62 0.00 -0.04 0.00 0.00 33.50 32.79 3km4 n PRO 307 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3km4 h PRO 308 N -0.48 0.00 -0.24 0.54 0.14 -2.03 -3.44 132.00 126.49 3km4 h PRO 308 Ca -0.45 0.00 -0.10 0.00 0.14 0.00 0.00 66.00 65.59 3km4 h PRO 308 Cb 1.34 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.48 3km4 h PRO 308 CO 0.42 0.05 -0.23 1.15 0.14 0.00 0.00 178.00 179.53 3km4 h THR 309 N 0.00 1.31 -4.16 1.56 2.02 -1.84 -3.46 112.91 108.34 3km4 h THR 309 Ca -0.00 -1.39 -0.05 0.00 0.77 0.00 0.00 66.41 65.74 3km4 h THR 309 Cb 0.58 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3km4 h THR 309 CO 0.01 0.43 -0.02 0.61 0.37 0.00 0.00 175.52 176.92 3km4 n GLY 310 N 0.16 2.83 3.60 2.16 0.00 -0.32 -4.64 105.19 108.97 3km4 n GLY 310 Ca -0.05 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 3km4 n GLY 310 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3km4 n PRO 311 N -0.70 1.36 -3.54 1.61 -0.02 -1.23 -3.26 135.00 129.22 3km4 n PRO 311 Ca 0.00 0.48 -0.16 0.00 -2.02 0.00 0.00 63.50 61.80 3km4 n PRO 311 Cb 0.05 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 3km4 n PRO 311 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3km4 s THR 312 N -1.15 0.00 0.94 3.45 -1.32 -1.26 -4.60 115.64 111.70 3km4 s THR 312 Ca 0.60 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.96 3km4 s THR 312 Cb -0.64 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.50 3km4 s THR 312 CO 0.59 0.00 1.09 0.26 -2.21 0.00 0.00 174.62 174.35 3km4 s TRP 313 N -1.07 2.22 -0.16 9.09 0.52 0.11 -4.39 118.94 125.27 3km4 s TRP 313 Ca -0.08 1.13 -0.03 0.00 0.02 0.00 0.00 56.10 57.14 3km4 s TRP 313 Cb -0.00 -3.21 0.05 0.00 -1.15 0.00 0.00 33.47 29.16 3km4 s TRP 313 CO 0.07 -2.62 0.03 0.00 0.02 0.00 0.00 176.95 174.45 3km4 s ALA 314 N -2.95 0.86 -0.67 0.98 0.00 0.20 -0.24 121.76 119.94 3km4 s ALA 314 Ca 0.64 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 3km4 s ALA 314 Cb -0.18 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 21.94 3km4 s ALA 314 CO 0.57 -0.97 1.14 -0.51 0.00 0.00 0.00 175.76 176.00 3km4 s LEU 315 N 1.92 3.63 0.00 0.00 1.43 0.19 -1.16 118.68 124.68 3km4 s LEU 315 Ca 0.01 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3km4 s LEU 315 Cb -0.16 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.40 3km4 s LEU 315 CO -0.07 -1.60 0.00 0.61 0.23 0.00 0.00 176.35 175.52 3km4 n GLY 316 N 5.28 2.41 0.30 -3.19 0.00 -1.23 -1.16 105.19 107.60 3km4 n GLY 316 Ca 0.02 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.30 3km4 n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3km4 h ALA 317 N -0.68 2.06 -0.83 4.61 0.00 -0.22 -0.34 119.26 123.85 3km4 h ALA 317 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3km4 h ALA 317 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3km4 h ALA 317 CO 0.00 -0.20 0.44 1.15 0.00 0.00 0.00 179.25 180.64 3km4 h THR 318 N 0.00 1.25 0.03 0.00 2.02 -1.83 0.13 112.91 114.51 3km4 h THR 318 Ca 0.08 -0.64 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 3km4 h THR 318 Cb 0.32 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3km4 h THR 318 CO -0.00 0.28 -0.47 0.15 0.37 0.00 0.00 175.52 175.85 3km4 h PHE 319 N 1.16 0.42 -0.51 3.16 3.57 -1.44 -3.35 116.94 119.95 3km4 h PHE 319 Ca 0.29 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3km4 h PHE 319 Cb 0.05 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3km4 h PHE 319 CO 0.01 1.09 0.04 0.82 -2.23 0.00 0.00 178.31 178.04 3km4 h ILE 320 N -0.37 1.24 -1.03 1.41 2.04 -0.85 -1.14 117.51 118.81 3km4 h ILE 320 Ca -0.07 -0.96 0.26 0.00 1.00 0.00 0.00 64.86 65.09 3km4 h ILE 320 Cb 1.24 0.80 -0.11 0.00 -0.74 0.00 0.00 36.82 38.01 3km4 h ILE 320 CO 0.09 0.34 0.64 0.03 0.00 0.00 0.00 178.15 179.25 3km4 h ARG 321 N 0.78 0.48 0.10 2.37 3.08 -1.10 -1.99 114.38 118.10 3km4 h ARG 321 Ca 0.16 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.86 3km4 h ARG 321 Cb 0.41 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3km4 h ARG 321 CO 0.01 0.32 -1.74 -0.22 -1.07 0.00 0.00 179.97 177.27 3km4 h LYS 322 N 0.49 0.20 -4.30 0.04 3.64 -1.43 -3.43 116.57 111.79 3km4 h LYS 322 Ca 0.62 -0.35 -0.66 0.00 -1.27 0.00 0.00 60.65 58.99 3km4 h LYS 322 Cb 1.37 0.13 -0.39 0.00 -0.41 0.00 0.00 32.23 32.92 3km4 h LYS 322 CO -0.38 1.01 -0.66 -0.06 -2.27 0.00 0.00 179.45 177.09 3km4 s PHE 323 N -2.59 3.59 0.08 1.91 0.08 -0.54 -0.61 117.98 119.90 3km4 s PHE 323 Ca -0.13 -2.97 -0.37 0.00 0.12 0.00 0.00 56.93 53.59 3km4 s PHE 323 Cb 0.07 -2.95 -0.18 0.00 -0.57 0.00 0.00 43.02 39.39 3km4 s PHE 323 CO 0.82 -0.90 1.16 0.98 -0.10 0.00 0.00 175.22 177.18 3km4 n TYR 324 N 3.98 1.03 -4.55 0.36 9.36 -0.60 -4.33 117.16 122.41 3km4 n TYR 324 Ca 0.04 0.82 -0.24 0.00 3.32 0.00 0.00 57.90 61.84 3km4 n TYR 324 Cb 0.39 -2.21 -0.16 0.00 -0.63 0.00 0.00 39.34 36.73 3km4 n TYR 324 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3km4 s THR 325 N 0.09 1.06 -0.15 2.97 2.01 -0.89 -1.93 115.64 118.80 3km4 s THR 325 Ca 0.83 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 3km4 s THR 325 Cb -1.05 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 3km4 s THR 325 CO 0.52 0.33 -0.06 -0.70 -0.69 0.00 0.00 174.62 174.03 3km4 s GLU 326 N 0.53 3.60 -0.27 4.92 2.12 0.15 -0.50 118.70 129.25 3km4 s GLU 326 Ca -0.11 -0.55 -0.08 0.00 0.36 0.00 0.00 54.97 54.58 3km4 s GLU 326 Cb -0.14 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 3km4 s GLU 326 CO 0.03 0.25 0.10 -0.06 -0.54 0.00 0.00 175.26 175.04 3km4 s PHE 327 N 0.33 3.13 -0.28 5.30 0.08 0.42 -0.56 117.98 126.40 3km4 s PHE 327 Ca -0.05 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.52 3km4 s PHE 327 Cb -0.14 -2.28 0.06 0.00 -0.57 0.00 0.00 43.02 40.08 3km4 s PHE 327 CO 0.04 -0.40 -0.06 0.34 -0.10 0.00 0.00 175.22 175.04 3km4 s ASP 328 N 1.61 4.61 0.05 1.36 -1.08 -0.56 -1.29 116.67 121.37 3km4 s ASP 328 Ca 0.05 -1.43 0.05 0.00 -0.52 0.00 0.00 52.55 50.71 3km4 s ASP 328 Cb -0.16 -1.61 -0.24 0.00 -1.46 0.00 0.00 42.92 39.46 3km4 s ASP 328 CO 0.05 -0.23 1.01 0.03 0.52 0.00 0.00 175.17 176.55 3km4 h ARG 329 N 7.83 0.08 0.10 4.34 2.47 -1.39 -1.34 114.38 126.47 3km4 h ARG 329 Ca -0.18 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 3km4 h ARG 329 Cb 1.04 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 3km4 h ARG 329 CO 0.49 0.92 -0.10 -0.09 0.56 0.00 0.00 179.97 181.74 3km4 h ARG 330 N 0.02 -0.22 -0.07 0.04 1.12 -1.93 -3.24 114.38 110.10 3km4 h ARG 330 Ca -0.14 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 3km4 h ARG 330 Cb 1.91 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.91 3km4 h ARG 330 CO 0.13 -0.14 0.00 0.09 -3.11 0.00 0.00 179.97 176.94 3km4 n ASN 331 N -5.22 2.51 -3.61 -3.80 4.13 -1.26 -5.00 115.26 103.02 3km4 n ASN 331 Ca -0.07 -1.83 -0.25 0.00 1.68 0.00 0.00 54.58 54.10 3km4 n ASN 331 Cb 0.14 -0.03 0.04 0.00 -1.54 0.00 0.00 39.78 38.40 3km4 n ASN 331 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3km4 n ASN 332 N 0.95 -4.37 -4.02 6.41 3.02 -0.55 -4.90 115.26 111.81 3km4 n ASN 332 Ca 0.16 -0.91 -0.10 0.00 -0.03 0.00 0.00 54.58 53.71 3km4 n ASN 332 Cb 0.51 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.71 3km4 n ASN 332 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3km4 s ARG 333 N -5.67 1.44 -0.02 3.52 1.70 -0.94 -2.13 118.95 116.84 3km4 s ARG 333 Ca 0.34 -1.29 0.06 0.00 -0.47 0.00 0.00 55.73 54.37 3km4 s ARG 333 Cb -0.10 0.43 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 3km4 s ARG 333 CO 0.83 -0.58 -0.21 0.42 -1.08 0.00 0.00 175.30 174.68 3km4 s ILE 334 N -4.03 1.70 0.04 4.99 1.01 -0.72 -1.50 121.20 122.69 3km4 s ILE 334 Ca 0.24 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 60.06 3km4 s ILE 334 Cb 0.01 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 3km4 s ILE 334 CO 0.08 0.48 -0.20 -0.83 0.00 0.00 0.00 174.94 174.48 3km4 s GLY 335 N -0.39 1.54 -0.01 6.18 0.00 0.28 -0.93 107.32 113.98 3km4 s GLY 335 Ca 0.05 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 43.65 3km4 s GLY 335 CO 0.00 -1.09 -0.24 -1.36 0.00 0.00 0.00 173.10 170.41 3km4 s PHE 336 N -0.89 2.14 0.03 1.90 0.08 -0.63 0.30 117.98 120.91 3km4 s PHE 336 Ca 0.14 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.80 3km4 s PHE 336 Cb -0.10 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.95 3km4 s PHE 336 CO 0.04 -0.03 -0.06 0.00 -0.10 0.00 0.00 175.22 175.07 3km4 s ALA 337 N -0.57 0.44 0.03 5.36 0.00 -0.81 -0.21 121.76 125.99 3km4 s ALA 337 Ca 0.09 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 3km4 s ALA 337 Cb -0.09 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.01 3km4 s ALA 337 CO -0.01 -0.05 1.83 -0.51 0.00 0.00 0.00 175.76 177.03 3km4 s LEU 338 N -1.43 4.39 0.71 0.00 1.43 -1.26 -1.56 118.68 120.97 3km4 s LEU 338 Ca -0.11 2.56 -0.14 0.00 -1.03 0.00 0.00 54.13 55.41 3km4 s LEU 338 Cb -0.09 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.62 3km4 s LEU 338 CO 0.00 -1.00 1.13 0.00 0.23 0.00 0.00 176.35 176.72 3km4 s ALA 339 N 3.90 2.28 0.00 4.21 0.00 0.22 -0.45 121.76 131.92 3km4 s ALA 339 Ca 0.82 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3km4 s ALA 339 Cb -0.40 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3km4 s ALA 339 CO 0.37 -1.60 0.00 2.89 0.00 0.00 0.00 175.76 177.41