#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qu4 s LEU 2 N 0.00 2.94 -0.10 -0.89 0.20 -1.26 -1.21 118.68 118.37 2qu4 s LEU 2 Ca 0.00 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.52 2qu4 s LEU 2 Cb 0.00 -1.73 -0.01 0.00 -0.43 0.00 0.00 46.19 44.02 2qu4 s LEU 2 CO 0.00 0.04 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.20 2qu4 s VAL 3 N 1.15 2.38 -0.14 1.68 1.01 -0.36 -4.53 120.40 121.58 2qu4 s VAL 3 Ca 0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2qu4 s VAL 3 Cb -0.14 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2qu4 s VAL 3 CO -0.01 0.55 0.31 -0.36 0.00 0.00 0.00 175.10 175.60 2qu4 s PHE 4 N 0.21 3.49 -0.12 5.22 0.40 -0.26 -1.93 117.98 125.00 2qu4 s PHE 4 Ca -0.13 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 2qu4 s PHE 4 Cb -0.16 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 41.04 2qu4 s PHE 4 CO 0.07 0.27 -0.10 0.42 0.70 0.00 0.00 175.22 176.59 2qu4 s ILE 5 N 0.33 1.16 -0.98 0.64 1.01 0.13 -1.57 121.20 121.92 2qu4 s ILE 5 Ca 0.18 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 2qu4 s ILE 5 Cb -0.13 -1.14 0.25 0.00 0.01 0.00 0.00 42.46 41.45 2qu4 s ILE 5 CO 0.05 0.39 0.94 -0.62 0.00 0.00 0.00 174.94 175.70 2qu4 s ASP 6 N 1.54 6.98 -1.15 3.58 2.15 0.14 -3.57 116.67 126.34 2qu4 s ASP 6 Ca 0.03 -3.22 -0.14 0.00 0.43 0.00 0.00 52.55 49.64 2qu4 s ASP 6 Cb -0.13 -2.19 0.17 0.00 -0.30 0.00 0.00 42.92 40.47 2qu4 s ASP 6 CO -0.07 -0.40 1.36 1.51 -0.17 0.00 0.00 175.17 177.40 2qu4 s ASP 7 N 1.57 7.00 0.32 -0.34 -4.77 -1.26 -1.94 116.67 117.25 2qu4 s ASP 7 Ca 0.25 -2.86 0.00 0.00 -3.30 0.00 0.00 52.55 46.64 2qu4 s ASP 7 Cb -0.10 -2.39 0.00 0.00 -1.09 0.00 0.00 42.92 39.34 2qu4 s ASP 7 CO -0.08 -0.78 0.00 0.61 0.70 0.00 0.00 175.17 175.62 2qu4 n GLY 8 N 4.29 0.27 0.00 2.12 0.00 -0.93 -4.82 105.19 106.11 2qu4 n GLY 8 Ca 0.34 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.65 2qu4 n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qu4 n SER 9 N -1.69 0.00 0.00 1.61 3.41 -1.26 -4.02 113.62 111.66 2qu4 n SER 9 Ca 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2qu4 n SER 9 Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2qu4 n SER 9 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qu4 n THR 10 N -1.47 0.00 -3.93 6.66 -2.24 -1.26 -0.29 114.28 111.76 2qu4 n THR 10 Ca 0.08 -0.29 0.04 0.00 -2.27 0.00 0.00 64.05 61.61 2qu4 n THR 10 Cb 0.31 0.97 0.01 0.00 -2.10 0.00 0.00 70.33 69.52 2qu4 n THR 10 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2qu4 s ASN 11 N -0.62 -0.00 -0.15 3.42 6.03 -1.26 -4.34 114.94 118.02 2qu4 s ASN 11 Ca 0.00 -0.05 0.01 0.00 -1.03 0.00 0.00 52.86 51.79 2qu4 s ASN 11 Cb 0.00 0.04 0.00 0.00 -3.03 0.00 0.00 41.25 38.26 2qu4 s ASN 11 CO 0.00 -0.08 -0.17 -0.63 -2.03 0.00 0.00 177.10 174.19 2qu4 s ILE 12 N -2.02 2.45 -0.10 0.54 1.09 0.10 -2.20 121.20 121.06 2qu4 s ILE 12 Ca 0.28 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 59.01 2qu4 s ILE 12 Cb 0.02 -2.02 -0.01 0.00 -1.06 0.00 0.00 42.46 39.38 2qu4 s ILE 12 CO -0.03 0.53 -0.17 -0.54 -0.10 0.00 0.00 174.94 174.62 2qu4 s LYS 13 N 0.85 3.03 0.19 2.79 1.02 -0.82 -0.23 119.74 126.56 2qu4 s LYS 13 Ca -0.05 -0.76 0.10 0.00 0.02 0.00 0.00 55.97 55.28 2qu4 s LYS 13 Cb -0.15 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 2qu4 s LYS 13 CO -0.01 0.31 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.04 2qu4 s LEU 14 N 0.07 2.67 -0.15 3.17 1.43 0.12 -0.68 118.68 125.31 2qu4 s LEU 14 Ca -0.07 -0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 52.16 2qu4 s LEU 14 Cb -0.15 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.73 2qu4 s LEU 14 CO 0.05 0.11 0.39 -1.58 0.23 0.00 0.00 176.35 175.55 2qu4 s GLN 15 N -2.75 0.44 0.26 1.70 0.74 -0.61 -1.62 119.66 117.83 2qu4 s GLN 15 Ca 0.23 0.59 -0.20 0.00 0.05 0.00 0.00 55.36 56.03 2qu4 s GLN 15 Cb -0.08 0.17 0.02 0.00 1.10 0.00 0.00 33.01 34.21 2qu4 s GLN 15 CO 0.12 -0.08 0.67 1.67 -0.55 0.00 0.00 175.29 177.12 2qu4 s TRP 16 N 0.47 -0.12 -0.16 1.67 -2.14 -0.73 -1.10 118.94 116.82 2qu4 s TRP 16 Ca -0.02 -0.30 -0.01 0.00 2.66 0.00 0.00 56.10 58.42 2qu4 s TRP 16 Cb -0.04 0.61 -0.01 0.00 -3.10 0.00 0.00 33.47 30.93 2qu4 s TRP 16 CO -0.02 -1.17 -0.11 -1.14 -2.66 0.00 0.00 176.95 171.85 2qu4 s GLN 17 N -3.92 3.34 0.92 3.25 0.74 -1.26 -0.82 119.66 121.91 2qu4 s GLN 17 Ca 0.12 -0.68 -0.12 0.00 0.05 0.00 0.00 55.36 54.72 2qu4 s GLN 17 Cb -0.05 -2.73 0.14 0.00 1.10 0.00 0.00 33.01 31.48 2qu4 s GLN 17 CO 0.06 0.06 1.14 -1.21 -0.55 0.00 0.00 175.29 174.79 2qu4 s GLU 18 N 0.74 1.07 0.18 1.67 0.41 -0.02 -4.95 118.70 117.80 2qu4 s GLU 18 Ca -0.05 0.28 -0.26 0.00 -0.41 0.00 0.00 54.97 54.53 2qu4 s GLU 18 Cb -0.15 -1.83 0.03 0.00 -1.78 0.00 0.00 34.13 30.40 2qu4 s GLU 18 CO 0.01 -2.25 1.55 0.77 -0.49 0.00 0.00 175.26 174.86 2qu4 h SER 19 N -1.53 -1.74 0.00 -0.19 0.02 -2.00 -3.18 113.55 104.92 2qu4 h SER 19 Ca -0.51 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2qu4 h SER 19 Cb 1.33 0.80 0.00 0.00 0.14 0.00 0.00 62.40 64.67 2qu4 h SER 19 CO 0.61 -0.30 0.00 -0.90 -1.14 0.00 0.00 176.83 175.10 2qu4 n ASP 20 N -5.37 0.00 0.00 3.07 5.75 -1.26 -4.94 116.55 113.81 2qu4 n ASP 20 Ca 0.03 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 2qu4 n ASP 20 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 2qu4 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qu4 n GLY 21 N -0.09 0.56 3.76 6.12 0.00 -1.20 -5.13 105.19 109.20 2qu4 n GLY 21 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qu4 n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qu4 s THR 22 N 0.00 2.42 -0.25 2.61 -4.23 -1.26 -4.71 115.64 110.22 2qu4 s THR 22 Ca 0.00 0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 2qu4 s THR 22 Cb 0.00 -3.25 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 2qu4 s THR 22 CO 0.00 0.08 0.27 -0.63 -0.54 0.00 0.00 174.62 173.80 2qu4 s ILE 23 N -0.65 5.27 0.12 2.99 1.01 -1.26 -0.84 121.20 127.84 2qu4 s ILE 23 Ca 0.55 0.38 0.08 0.00 0.00 0.00 0.00 60.65 61.66 2qu4 s ILE 23 Cb -0.43 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2qu4 s ILE 23 CO 0.52 0.26 -0.09 -0.54 0.00 0.00 0.00 174.94 175.09 2qu4 s LYS 24 N 1.52 2.12 0.16 2.79 1.02 -0.00 -4.98 119.74 122.37 2qu4 s LYS 24 Ca 0.12 -1.08 0.07 0.00 0.02 0.00 0.00 55.97 55.09 2qu4 s LYS 24 Cb -0.15 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 2qu4 s LYS 24 CO 0.08 0.49 -0.15 -0.65 -0.92 0.00 0.00 175.35 174.20 2qu4 s GLN 25 N -2.38 1.18 -0.12 1.68 -0.21 -1.26 -1.78 119.66 116.76 2qu4 s GLN 25 Ca 0.22 -1.41 -0.23 0.00 0.02 0.00 0.00 55.36 53.97 2qu4 s GLN 25 Cb -0.10 -1.03 0.05 0.00 1.00 0.00 0.00 33.01 32.93 2qu4 s GLN 25 CO 0.14 0.19 0.56 -1.58 -2.12 0.00 0.00 175.29 172.48 2qu4 s HIS 26 N -2.51 -0.55 -0.02 0.91 2.46 -0.64 -4.97 115.29 109.96 2qu4 s HIS 26 Ca 0.15 1.16 0.04 0.00 0.47 0.00 0.00 55.06 56.88 2qu4 s HIS 26 Cb -0.03 0.26 -0.00 0.00 -0.13 0.00 0.00 32.58 32.67 2qu4 s HIS 26 CO 0.05 -0.42 -0.13 -1.50 -2.47 0.00 0.00 174.74 170.26 2qu4 s ILE 27 N -0.52 1.09 0.03 0.89 2.07 -1.26 0.16 121.20 123.66 2qu4 s ILE 27 Ca -0.06 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 58.62 2qu4 s ILE 27 Cb -0.03 -0.93 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2qu4 s ILE 27 CO 0.05 0.32 -0.03 -0.55 -1.91 0.00 0.00 174.94 172.81 2qu4 s SER 28 N -0.08 0.33 0.91 4.50 0.15 0.68 -4.99 113.70 115.20 2qu4 s SER 28 Ca 0.00 -0.58 -0.12 0.00 0.70 0.00 0.00 55.95 55.95 2qu4 s SER 28 Cb -0.08 0.11 0.14 0.00 -1.71 0.00 0.00 66.02 64.48 2qu4 s SER 28 CO 0.00 -0.34 1.11 -2.16 1.20 0.00 0.00 173.24 173.06 2qu4 s PRO 29 N -1.84 1.17 -0.07 5.44 0.04 -1.26 0.01 135.00 138.48 2qu4 s PRO 29 Ca -0.12 0.48 0.12 0.00 0.04 0.00 0.00 61.00 61.52 2qu4 s PRO 29 Cb -0.07 -1.83 0.33 0.00 0.04 0.00 0.00 34.50 32.97 2qu4 s PRO 29 CO -0.02 -2.22 1.26 0.27 0.04 0.00 0.00 177.00 176.33 2qu4 n ASN 30 N -3.81 3.04 -4.47 6.66 6.94 -1.26 -4.53 115.26 117.82 2qu4 n ASN 30 Ca 0.06 -2.45 -0.43 0.00 -0.02 0.00 0.00 54.58 51.75 2qu4 n ASN 30 Cb 0.58 -0.32 -0.04 0.00 -2.36 0.00 0.00 39.78 37.64 2qu4 n ASN 30 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2qu4 s SER 31 N -1.50 6.21 0.04 0.53 1.04 -1.26 -5.01 113.70 113.74 2qu4 s SER 31 Ca 0.27 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 55.91 2qu4 s SER 31 Cb 0.19 -2.43 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 2qu4 s SER 31 CO 0.10 -1.42 -0.09 -0.36 0.98 0.00 0.00 173.24 172.44 2qu4 s PHE 32 N 4.16 0.79 0.20 5.02 0.40 -1.26 -0.83 117.98 126.46 2qu4 s PHE 32 Ca 0.25 -0.44 0.11 0.00 -0.60 0.00 0.00 56.93 56.24 2qu4 s PHE 32 Cb -0.15 -0.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.86 2qu4 s PHE 32 CO 0.12 -0.04 -0.22 -1.59 0.70 0.00 0.00 175.22 174.19 2qu4 s LYS 33 N -1.43 1.48 -1.45 0.44 -2.85 -0.62 -4.85 119.74 110.45 2qu4 s LYS 33 Ca -0.06 -1.53 -0.08 0.00 -1.00 0.00 0.00 55.97 53.29 2qu4 s LYS 33 Cb -0.09 -1.69 0.04 0.00 -2.06 0.00 0.00 37.83 34.02 2qu4 s LYS 33 CO 0.01 0.35 2.53 -2.13 0.10 0.00 0.00 175.35 176.22 2qu4 n ARG 34 N 0.14 3.99 -3.66 1.78 0.63 -1.26 -1.64 116.66 116.63 2qu4 n ARG 34 Ca -0.12 -2.91 -0.03 0.00 -0.92 0.00 0.00 57.85 53.88 2qu4 n ARG 34 Cb 0.57 -2.79 -0.01 0.00 0.45 0.00 0.00 32.46 30.68 2qu4 n ARG 34 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2qu4 s GLU 35 N 0.68 0.82 -0.07 -0.14 -1.05 -1.25 -4.91 118.70 112.78 2qu4 s GLU 35 Ca 0.58 -0.42 -0.27 0.00 -0.15 0.00 0.00 54.97 54.70 2qu4 s GLU 35 Cb 0.17 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 34.13 2qu4 s GLU 35 CO -0.07 -0.37 0.87 -0.46 0.95 0.00 0.00 175.26 176.18 2qu4 s TRP 36 N -2.92 3.57 -0.11 4.83 -0.11 -1.26 -3.13 118.94 119.81 2qu4 s TRP 36 Ca 0.11 1.46 -0.20 0.00 1.22 0.00 0.00 56.10 58.69 2qu4 s TRP 36 Cb 0.01 -3.01 -0.04 0.00 -1.50 0.00 0.00 33.47 28.93 2qu4 s TRP 36 CO -0.02 -0.05 0.56 0.00 -4.62 0.00 0.00 176.95 172.82 2qu4 s ALA 37 N 1.29 3.43 0.12 5.86 0.00 -1.26 -5.05 121.76 126.15 2qu4 s ALA 37 Ca 0.44 -0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 2qu4 s ALA 37 Cb -0.19 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 2qu4 s ALA 37 CO 0.21 -0.06 0.42 0.54 0.00 0.00 0.00 175.76 176.87 2qu4 s VAL 38 N 0.74 5.08 -0.01 0.00 0.11 -1.26 -4.92 120.40 120.15 2qu4 s VAL 38 Ca 0.30 0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.69 2qu4 s VAL 38 Cb -0.16 -3.64 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 2qu4 s VAL 38 CO 0.13 0.15 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.49 2qu4 s SER 39 N -2.06 0.27 -0.03 3.54 0.15 -1.26 -4.98 113.70 109.33 2qu4 s SER 39 Ca 0.38 -0.03 0.10 0.00 0.70 0.00 0.00 55.95 57.09 2qu4 s SER 39 Cb -0.13 -0.07 0.33 0.00 -1.71 0.00 0.00 66.02 64.44 2qu4 s SER 39 CO 0.21 -0.01 1.21 0.49 1.20 0.00 0.00 173.24 176.34 2qu4 n PHE 40 N 3.32 0.60 -0.36 3.44 3.72 -1.26 -4.82 117.46 122.11 2qu4 n PHE 40 Ca -0.16 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 2qu4 n PHE 40 Cb 0.57 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2qu4 n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qu4 n GLY 41 N 0.86 0.71 0.14 1.37 0.00 -1.26 -4.96 105.19 102.06 2qu4 n GLY 41 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2qu4 n GLY 41 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2qu4 h ASP 42 N 0.00 0.73 -2.56 1.61 2.03 -1.99 -3.48 116.42 112.77 2qu4 h ASP 42 Ca 0.00 -0.93 -0.55 0.00 -0.73 0.00 0.00 57.03 54.83 2qu4 h ASP 42 Cb 0.00 -0.24 -0.14 0.00 -0.83 0.00 0.00 39.33 38.12 2qu4 h ASP 42 CO 0.00 1.71 -0.73 -1.59 -1.03 0.00 0.00 179.24 177.61 2qu4 s LYS 43 N -2.57 1.58 0.20 4.15 -2.85 -1.26 -5.12 119.74 113.86 2qu4 s LYS 43 Ca -0.12 -1.75 -0.30 0.00 -1.00 0.00 0.00 55.97 52.80 2qu4 s LYS 43 Cb 0.04 -1.48 -0.08 0.00 -2.06 0.00 0.00 37.83 34.25 2qu4 s LYS 43 CO 0.90 0.21 0.98 0.15 0.10 0.00 0.00 175.35 177.69 2qu4 s LYS 44 N -3.60 4.76 0.03 1.78 1.02 -1.26 -4.89 119.74 117.59 2qu4 s LYS 44 Ca 0.28 1.53 0.01 0.00 0.02 0.00 0.00 55.97 57.81 2qu4 s LYS 44 Cb -0.01 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 2qu4 s LYS 44 CO 0.12 0.35 -0.05 0.14 -0.92 0.00 0.00 175.35 175.00 2qu4 s VAL 45 N -0.70 0.26 -0.27 3.17 -7.23 -1.26 -5.11 120.40 109.26 2qu4 s VAL 45 Ca 0.44 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.76 2qu4 s VAL 45 Cb -0.26 -0.36 0.07 0.00 0.56 0.00 0.00 36.38 36.38 2qu4 s VAL 45 CO 0.32 -0.40 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.27 2qu4 s PHE 46 N -1.28 3.29 -0.28 2.82 0.40 -1.26 -5.03 117.98 116.63 2qu4 s PHE 46 Ca -0.12 -2.40 -0.07 0.00 -0.60 0.00 0.00 56.93 53.75 2qu4 s PHE 46 Cb -0.09 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.38 2qu4 s PHE 46 CO -0.00 -0.88 0.06 -0.80 0.70 0.00 0.00 175.22 174.30 2qu4 s ASN 47 N 1.09 5.04 0.23 1.36 0.02 -1.26 -1.93 114.94 119.49 2qu4 s ASN 47 Ca -0.06 -0.59 0.08 0.00 -1.02 0.00 0.00 52.86 51.27 2qu4 s ASN 47 Cb -0.20 -1.87 -0.04 0.00 0.02 0.00 0.00 41.25 39.16 2qu4 s ASN 47 CO -0.06 -0.15 0.04 -0.31 0.02 0.00 0.00 177.10 176.65 2qu4 s TYR 48 N 1.52 2.84 -0.07 2.20 1.51 0.46 -1.80 117.35 124.00 2qu4 s TYR 48 Ca 0.04 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2qu4 s TYR 48 Cb -0.17 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 2qu4 s TYR 48 CO 0.02 0.56 -0.02 0.99 -1.11 0.00 0.00 175.55 175.99 2qu4 s THR 49 N -2.07 0.53 0.00 -0.71 2.01 -0.89 -0.09 115.64 114.41 2qu4 s THR 49 Ca 0.30 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2qu4 s THR 49 Cb -0.08 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.80 2qu4 s THR 49 CO 0.21 0.27 0.00 -0.11 -0.69 0.00 0.00 174.62 174.30 2qu4 n LEU 50 N 4.85 0.00 -0.09 4.42 7.94 -0.98 -1.53 117.00 131.61 2qu4 n LEU 50 Ca -0.12 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.60 2qu4 n LEU 50 Cb 0.50 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.35 2qu4 n LEU 50 CO 0.14 0.00 -0.33 0.78 -1.11 0.00 0.00 177.39 176.87 2qu4 h ASN 51 N 0.00 0.00 0.00 1.96 4.21 -1.97 -3.39 115.58 116.39 2qu4 h ASN 51 Ca 0.00 -0.52 0.00 0.00 1.21 0.00 0.00 56.30 56.99 2qu4 h ASN 51 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2qu4 h ASN 51 CO 0.00 1.30 0.00 0.61 -1.29 0.00 0.00 177.43 178.05 2qu4 n GLY 52 N 1.49 -0.51 3.57 2.83 0.00 -1.26 -5.06 105.19 106.25 2qu4 n GLY 52 Ca -0.25 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 2qu4 n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qu4 n GLU 53 N -2.45 -0.41 -4.19 1.61 -0.58 -1.26 -4.97 120.64 108.38 2qu4 n GLU 53 Ca 0.00 -0.06 -0.23 0.00 -0.42 0.00 0.00 57.16 56.45 2qu4 n GLU 53 Cb 0.00 -2.17 -0.06 0.00 -0.57 0.00 0.00 31.44 28.63 2qu4 n GLU 53 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2qu4 s GLN 54 N -4.25 2.48 0.11 3.49 -0.21 -1.26 -2.31 119.66 117.71 2qu4 s GLN 54 Ca 0.63 -1.35 -0.18 0.00 0.02 0.00 0.00 55.36 54.48 2qu4 s GLN 54 Cb -0.22 -2.27 0.04 0.00 1.00 0.00 0.00 33.01 31.55 2qu4 s GLN 54 CO 0.62 0.31 0.44 0.71 -2.12 0.00 0.00 175.29 175.25 2qu4 s TYR 55 N -2.30 -0.28 0.05 0.91 1.51 0.87 -3.90 117.35 114.22 2qu4 s TYR 55 Ca 0.33 0.06 -0.06 0.00 -1.01 0.00 0.00 57.07 56.39 2qu4 s TYR 55 Cb -0.06 0.29 -0.01 0.00 -0.11 0.00 0.00 41.96 42.08 2qu4 s TYR 55 CO 0.22 -0.69 0.12 -1.54 -1.11 0.00 0.00 175.55 172.55 2qu4 s SER 56 N -2.57 0.16 0.20 2.29 1.04 -0.65 0.17 113.70 114.35 2qu4 s SER 56 Ca 0.00 -0.55 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 2qu4 s SER 56 Cb 0.01 0.25 -0.09 0.00 0.10 0.00 0.00 66.02 66.29 2qu4 s SER 56 CO -0.09 -0.55 1.34 0.12 0.98 0.00 0.00 173.24 175.03 2qu4 s PHE 57 N -2.85 3.21 -0.60 5.02 5.36 -0.81 -1.59 117.98 125.72 2qu4 s PHE 57 Ca -0.03 1.17 0.04 0.00 -0.96 0.00 0.00 56.93 57.16 2qu4 s PHE 57 Cb 0.00 -3.65 0.15 0.00 -0.34 0.00 0.00 43.02 39.19 2qu4 s PHE 57 CO -0.06 -2.05 0.37 0.34 -1.46 0.00 0.00 175.22 172.37 2qu4 s ASP 58 N 0.38 4.46 0.12 6.13 3.68 -0.01 -4.74 116.67 126.69 2qu4 s ASP 58 Ca 0.58 -3.39 -0.31 0.00 2.13 0.00 0.00 52.55 51.56 2qu4 s ASP 58 Cb -0.37 -1.58 -0.10 0.00 -1.45 0.00 0.00 42.92 39.41 2qu4 s ASP 58 CO 0.39 -0.16 1.75 -2.16 0.13 0.00 0.00 175.17 175.11 2qu4 s PRO 59 N -0.80 4.16 0.26 4.34 0.04 -1.26 -4.60 135.00 137.14 2qu4 s PRO 59 Ca 0.21 2.50 0.02 0.00 0.04 0.00 0.00 61.00 63.78 2qu4 s PRO 59 Cb -0.15 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 2qu4 s PRO 59 CO -0.08 -0.78 0.06 0.96 0.04 0.00 0.00 177.00 177.20 2qu4 s ILE 60 N 2.42 0.81 0.19 0.56 -4.36 -1.26 -5.11 121.20 114.44 2qu4 s ILE 60 Ca 0.77 -2.01 -0.33 0.00 -0.26 0.00 0.00 60.65 58.83 2qu4 s ILE 60 Cb -0.44 -2.57 -0.14 0.00 1.25 0.00 0.00 42.46 40.55 2qu4 s ILE 60 CO 0.34 -0.11 1.36 -0.24 0.24 0.00 0.00 174.94 176.54 2qu4 n SER 61 N -0.49 2.29 0.00 4.36 2.88 -1.26 -4.77 113.62 116.63 2qu4 n SER 61 Ca -0.02 1.13 0.02 0.00 -1.33 0.00 0.00 58.87 58.67 2qu4 n SER 61 Cb 0.66 -1.34 0.11 0.00 -0.75 0.00 0.00 64.21 62.89 2qu4 n SER 61 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2qu4 n PRO 62 N 2.25 0.32 -0.00 -1.46 -0.02 -1.26 -0.46 135.00 134.37 2qu4 n PRO 62 Ca 0.14 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.69 2qu4 n PRO 62 Cb 0.28 -1.19 -0.08 0.00 -0.02 0.00 0.00 33.50 32.49 2qu4 n PRO 62 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2qu4 n ASP 63 N -0.69 1.00 -1.21 2.55 -0.08 -1.26 -4.56 116.55 112.30 2qu4 n ASP 63 Ca 0.03 -0.57 -0.06 0.00 -1.51 0.00 0.00 54.79 52.68 2qu4 n ASP 63 Cb 0.01 1.18 0.17 0.00 2.34 0.00 0.00 41.12 44.83 2qu4 n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qu4 n ALA 64 N -1.50 4.38 -1.82 -1.67 0.00 0.39 -5.04 120.51 115.25 2qu4 n ALA 64 Ca 0.01 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.74 2qu4 n ALA 64 Cb 0.24 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 2qu4 n ALA 64 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qu4 s VAL 65 N -3.49 2.44 -0.11 0.00 1.01 -1.25 -4.91 120.40 114.09 2qu4 s VAL 65 Ca 0.45 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 2qu4 s VAL 65 Cb 0.41 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 2qu4 s VAL 65 CO -0.01 0.01 0.40 -0.69 0.00 0.00 0.00 175.10 174.81 2qu4 s VAL 66 N 1.59 5.20 -0.05 2.92 1.01 -1.26 -5.06 120.40 124.75 2qu4 s VAL 66 Ca 0.74 0.79 -0.25 0.00 0.00 0.00 0.00 61.98 63.26 2qu4 s VAL 66 Cb -0.46 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2qu4 s VAL 66 CO 0.32 0.39 0.76 -0.89 0.00 0.00 0.00 175.10 175.69 2qu4 s THR 67 N 0.25 5.00 0.39 3.92 2.01 -1.26 -4.68 115.64 121.27 2qu4 s THR 67 Ca 0.22 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.82 2qu4 s THR 67 Cb -0.15 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 2qu4 s THR 67 CO 0.09 0.24 0.59 0.42 -0.69 0.00 0.00 174.62 175.27 2qu4 s THR 68 N 0.80 4.46 0.45 -0.82 -4.23 0.61 -5.03 115.64 111.88 2qu4 s THR 68 Ca 0.41 -0.55 0.03 0.00 -1.18 0.00 0.00 61.69 60.40 2qu4 s THR 68 Cb -0.19 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.11 2qu4 s THR 68 CO 0.20 -0.40 0.62 -0.46 -0.54 0.00 0.00 174.62 174.04 2qu4 n ASN 69 N -1.90 1.20 -0.23 3.99 0.23 -1.26 -4.77 115.26 112.52 2qu4 n ASN 69 Ca -0.01 -1.93 -0.06 0.00 -0.53 0.00 0.00 54.58 52.04 2qu4 n ASN 69 Cb 0.57 -0.37 0.04 0.00 -2.08 0.00 0.00 39.78 37.94 2qu4 n ASN 69 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2qu4 h ILE 70 N -0.22 1.20 -0.28 1.53 2.04 -2.02 -2.61 117.51 117.15 2qu4 h ILE 70 Ca -0.21 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.18 2qu4 h ILE 70 Cb 0.85 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2qu4 h ILE 70 CO 0.26 0.23 0.20 0.00 0.00 0.00 0.00 178.15 178.83 2qu4 h ALA 71 N 1.16 2.09 -0.68 1.87 0.00 -2.01 -1.61 119.26 120.08 2qu4 h ALA 71 Ca 0.22 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.25 2qu4 h ALA 71 Cb 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2qu4 h ALA 71 CO -0.03 -0.15 0.46 2.35 0.00 0.00 0.00 179.25 181.87 2qu4 h TRP 72 N 0.14 0.46 0.00 0.00 7.01 -1.85 -0.94 115.95 120.77 2qu4 h TRP 72 Ca 0.13 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.14 2qu4 h TRP 72 Cb 0.33 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 2qu4 h TRP 72 CO -0.00 0.20 0.00 1.04 -2.79 0.00 0.00 178.44 176.89 2qu4 n GLN 73 N -4.47 0.07 -0.01 2.65 1.13 -0.60 -1.65 117.38 114.49 2qu4 n GLN 73 Ca 0.12 0.50 0.01 0.00 -1.94 0.00 0.00 57.00 55.70 2qu4 n GLN 73 Cb 0.46 -1.71 0.02 0.00 0.11 0.00 0.00 30.24 29.12 2qu4 n GLN 73 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qu4 n TYR 74 N -1.86 0.03 -2.35 1.08 4.01 -0.36 -4.90 117.16 112.80 2qu4 n TYR 74 Ca 0.00 -0.53 -0.25 0.00 -0.16 0.00 0.00 57.90 56.96 2qu4 n TYR 74 Cb 0.06 -0.06 0.09 0.00 -0.31 0.00 0.00 39.34 39.13 2qu4 n TYR 74 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2qu4 s SER 75 N -1.11 4.48 0.11 7.72 1.04 -0.66 -4.99 113.70 120.28 2qu4 s SER 75 Ca 0.03 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.43 2qu4 s SER 75 Cb 0.02 -0.60 -0.13 0.00 0.10 0.00 0.00 66.02 65.41 2qu4 s SER 75 CO 0.01 -1.78 1.34 0.44 0.98 0.00 0.00 173.24 174.22 2qu4 h ASP 76 N -0.63 0.95 -0.37 7.02 3.45 -1.95 -3.11 116.42 121.78 2qu4 h ASP 76 Ca -0.41 -0.59 0.05 0.00 0.43 0.00 0.00 57.03 56.50 2qu4 h ASP 76 Cb 1.28 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.76 2qu4 h ASP 76 CO 0.49 1.38 0.25 0.58 -1.57 0.00 0.00 179.24 180.37 2qu4 h VAL 77 N 0.57 0.97 0.04 -1.35 2.07 -1.95 -0.80 116.25 115.81 2qu4 h VAL 77 Ca -0.03 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2qu4 h VAL 77 Cb 1.30 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2qu4 h VAL 77 CO 0.14 0.05 -0.02 -1.13 0.02 0.00 0.00 177.57 176.64 2qu4 h ASN 78 N 0.30 -0.05 -0.48 0.57 -0.00 -1.73 0.96 115.58 115.16 2qu4 h ASN 78 Ca 0.16 -0.04 0.02 0.00 -0.00 0.00 0.00 56.30 56.44 2qu4 h ASN 78 Cb 0.26 0.01 -0.03 0.00 -0.00 0.00 0.00 38.32 38.56 2qu4 h ASN 78 CO -0.03 0.01 0.28 0.58 -0.00 0.00 0.00 177.43 178.27 2qu4 h VAL 79 N -0.10 1.05 -0.83 2.57 2.07 -1.28 -1.79 116.25 117.93 2qu4 h VAL 79 Ca -0.01 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2qu4 h VAL 79 Cb 0.08 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2qu4 h VAL 79 CO 0.01 0.10 0.38 0.58 0.02 0.00 0.00 177.57 178.67 2qu4 h VAL 80 N 0.57 1.26 -0.59 2.57 2.07 -0.96 -1.66 116.25 119.51 2qu4 h VAL 80 Ca 0.19 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2qu4 h VAL 80 Cb 0.02 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 2qu4 h VAL 80 CO -0.09 0.32 0.18 0.00 0.02 0.00 0.00 177.57 178.00 2qu4 h ALA 81 N 1.21 1.21 -0.06 1.67 0.00 -0.31 0.28 119.26 123.26 2qu4 h ALA 81 Ca 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qu4 h ALA 81 Cb 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qu4 h ALA 81 CO -0.03 0.55 -0.07 0.28 0.00 0.00 0.00 179.25 179.98 2qu4 h VAL 82 N 0.86 1.38 -0.79 0.00 2.07 -1.00 -1.99 116.25 116.79 2qu4 h VAL 82 Ca 0.19 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.48 2qu4 h VAL 82 Cb 0.25 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 2qu4 h VAL 82 CO -0.01 0.35 0.52 0.45 0.02 0.00 0.00 177.57 178.90 2qu4 h HIS 83 N -0.30 0.96 -0.49 1.57 3.86 -1.15 -1.06 115.15 118.54 2qu4 h HIS 83 Ca 0.01 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 2qu4 h HIS 83 Cb 0.59 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2qu4 h HIS 83 CO 0.10 0.58 -0.07 1.25 0.86 0.00 0.00 177.93 180.65 2qu4 h HIS 84 N 1.01 0.95 -0.41 2.45 6.17 -0.88 -0.82 115.15 123.62 2qu4 h HIS 84 Ca 0.30 -0.17 -0.04 0.00 0.71 0.00 0.00 60.37 61.17 2qu4 h HIS 84 Cb -0.04 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 29.63 2qu4 h HIS 84 CO -0.00 0.90 0.08 0.00 0.71 0.00 0.00 177.93 179.62 2qu4 h ALA 85 N 1.13 0.54 -0.58 5.26 0.00 -0.54 -2.12 119.26 122.95 2qu4 h ALA 85 Ca 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qu4 h ALA 85 Cb 0.57 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2qu4 h ALA 85 CO 0.03 0.24 0.38 -0.07 0.00 0.00 0.00 179.25 179.83 2qu4 h LEU 86 N 0.53 0.64 -1.88 0.00 3.38 -0.93 0.15 115.31 117.20 2qu4 h LEU 86 Ca 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2qu4 h LEU 86 Cb 0.34 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2qu4 h LEU 86 CO 0.00 0.46 -0.13 -0.07 0.09 0.00 0.00 178.44 178.80 2qu4 h LEU 87 N 0.76 0.00 -1.72 1.67 3.38 -0.85 -2.62 115.31 115.94 2qu4 h LEU 87 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2qu4 h LEU 87 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qu4 h LEU 87 CO -0.06 0.13 0.00 0.35 0.09 0.00 0.00 178.44 178.94 2qu4 n THR 88 N -4.00 0.01 -0.15 0.22 -2.24 -0.82 -4.53 114.28 102.77 2qu4 n THR 88 Ca -0.02 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.17 2qu4 n THR 88 Cb 0.21 1.38 0.06 0.00 -2.10 0.00 0.00 70.33 69.88 2qu4 n THR 88 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qu4 h SER 89 N 3.60 0.94 0.00 3.42 4.64 -0.57 -3.47 113.55 122.10 2qu4 h SER 89 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2qu4 h SER 89 Cb 0.77 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2qu4 h SER 89 CO 0.00 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 2qu4 n GLY 90 N -0.36 2.16 3.72 -0.77 0.00 -1.26 -5.00 105.19 103.69 2qu4 n GLY 90 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2qu4 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qu4 s LEU 91 N 0.00 3.47 0.28 0.99 1.43 -1.26 -4.96 118.68 118.63 2qu4 s LEU 91 Ca 0.00 2.58 -0.25 0.00 -1.03 0.00 0.00 54.13 55.42 2qu4 s LEU 91 Cb 0.00 -4.61 -0.09 0.00 0.03 0.00 0.00 46.19 41.51 2qu4 s LEU 91 CO 0.00 -2.18 0.88 -2.16 0.23 0.00 0.00 176.35 173.13 2qu4 s PRO 92 N -3.55 4.56 0.28 1.29 0.04 -1.26 -4.94 135.00 131.41 2qu4 s PRO 92 Ca 0.81 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 2qu4 s PRO 92 Cb -0.36 -2.93 -0.12 0.00 0.04 0.00 0.00 34.50 31.14 2qu4 s PRO 92 CO 0.42 0.36 1.61 0.28 0.04 0.00 0.00 177.00 179.72 2qu4 n VAL 93 N 0.82 0.86 -3.96 -0.36 0.31 -1.26 -4.91 118.33 109.82 2qu4 n VAL 93 Ca -0.00 -0.21 0.01 0.00 -0.01 0.00 0.00 64.34 64.12 2qu4 n VAL 93 Cb 0.50 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 2qu4 n VAL 93 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qu4 n SER 94 N 2.45 -0.27 -4.78 4.52 3.41 -1.26 -5.00 113.62 112.68 2qu4 n SER 94 Ca 0.10 -1.03 -0.37 0.00 -0.26 0.00 0.00 58.87 57.31 2qu4 n SER 94 Cb 0.36 0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 64.67 2qu4 n SER 94 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2qu4 s GLU 95 N -2.00 4.55 -0.02 4.33 2.02 -1.26 -1.32 118.70 125.00 2qu4 s GLU 95 Ca 0.08 1.24 -0.09 0.00 0.02 0.00 0.00 54.97 56.22 2qu4 s GLU 95 Cb -0.00 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.32 2qu4 s GLU 95 CO -0.00 0.36 0.19 0.14 0.02 0.00 0.00 175.26 175.97 2qu4 s VAL 96 N -1.50 0.06 -0.01 2.63 -7.23 0.81 -4.39 120.40 110.76 2qu4 s VAL 96 Ca 0.46 -0.49 -0.02 0.00 -1.81 0.00 0.00 61.98 60.12 2qu4 s VAL 96 Cb -0.20 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 2qu4 s VAL 96 CO 0.24 -0.27 0.15 -1.81 -0.31 0.00 0.00 175.10 173.11 2qu4 s ASP 97 N -1.05 6.18 0.17 4.85 1.01 -0.35 -0.74 116.67 126.75 2qu4 s ASP 97 Ca -0.11 0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.45 2qu4 s ASP 97 Cb -0.06 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 2qu4 s ASP 97 CO 0.02 0.27 0.03 0.27 0.21 0.00 0.00 175.17 175.98 2qu4 s ILE 98 N -1.28 0.44 -0.08 0.77 -4.36 0.22 -1.23 121.20 115.69 2qu4 s ILE 98 Ca 0.25 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 58.68 2qu4 s ILE 98 Cb -0.12 -2.16 0.03 0.00 1.25 0.00 0.00 42.46 41.45 2qu4 s ILE 98 CO 0.17 -0.41 -0.04 -0.69 0.24 0.00 0.00 174.94 174.21 2qu4 s VAL 99 N -3.82 0.66 0.36 8.37 1.01 -0.81 -1.05 120.40 125.11 2qu4 s VAL 99 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2qu4 s VAL 99 Cb 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2qu4 s VAL 99 CO 0.04 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.44 2qu4 s THR 101 N -2.28 1.76 0.01 0.00 -4.23 -1.23 -1.18 115.64 108.49 2qu4 s THR 101 Ca 0.00 -2.19 0.02 0.00 -1.18 0.00 0.00 61.69 58.34 2qu4 s THR 101 Cb -0.00 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 2qu4 s THR 101 CO 0.00 -0.43 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.83 2qu4 s LEU 102 N -3.40 2.08 0.74 4.79 1.43 -0.98 -4.87 118.68 118.48 2qu4 s LEU 102 Ca 0.27 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 2qu4 s LEU 102 Cb 0.01 -0.26 0.01 0.00 0.03 0.00 0.00 46.19 45.99 2qu4 s LEU 102 CO 0.10 -0.01 0.96 -2.65 0.23 0.00 0.00 176.35 174.98 2qu4 n PRO 103 N 2.51 0.43 -0.21 1.29 -0.02 -1.26 -1.75 135.00 135.98 2qu4 n PRO 103 Ca -0.16 0.20 -0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2qu4 n PRO 103 Cb 0.57 -2.22 0.07 0.00 -0.02 0.00 0.00 33.50 31.90 2qu4 n PRO 103 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qu4 h LEU 104 N -0.39 -0.56 0.00 2.45 3.38 -1.96 0.16 115.31 118.39 2qu4 h LEU 104 Ca -0.47 0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2qu4 h LEU 104 Cb 1.33 0.38 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2qu4 h LEU 104 CO 0.46 -0.20 0.00 0.35 0.09 0.00 0.00 178.44 179.14 2qu4 n THR 105 N -5.42 0.00 -0.12 0.22 -2.24 -1.26 -1.97 114.28 103.49 2qu4 n THR 105 Ca 0.08 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.70 2qu4 n THR 105 Cb 0.34 -0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 67.92 2qu4 n THR 105 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qu4 n GLU 106 N -1.02 0.66 -0.11 -0.78 -0.58 0.12 -4.41 120.64 114.52 2qu4 n GLU 106 Ca 0.22 0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.97 2qu4 n GLU 106 Cb 0.12 -1.53 0.03 0.00 -0.57 0.00 0.00 31.44 29.49 2qu4 n GLU 106 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2qu4 h TYR 107 N 0.00 1.02 -3.51 -0.32 3.20 -0.72 -3.42 116.97 113.23 2qu4 h TYR 107 Ca -0.57 -0.27 -0.66 0.00 3.14 0.00 0.00 58.73 60.37 2qu4 h TYR 107 Cb 1.99 -0.23 -0.15 0.00 1.54 0.00 0.00 36.73 39.88 2qu4 h TYR 107 CO 0.02 1.06 -0.71 0.71 -1.64 0.00 0.00 178.16 177.60 2qu4 s TYR 108 N -4.51 2.83 0.57 -3.82 1.51 -0.83 0.21 117.35 113.31 2qu4 s TYR 108 Ca -0.10 -0.11 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 2qu4 s TYR 108 Cb 0.12 -1.48 0.07 0.00 -0.11 0.00 0.00 41.96 40.56 2qu4 s TYR 108 CO 0.86 0.43 0.79 0.16 -1.11 0.00 0.00 175.55 176.69 2qu4 s ASP 109 N -2.14 5.06 0.00 2.29 1.47 0.01 -4.61 116.67 118.76 2qu4 s ASP 109 Ca 0.22 -0.46 0.00 0.00 1.18 0.00 0.00 52.55 53.49 2qu4 s ASP 109 Cb -0.11 -0.22 0.00 0.00 -0.34 0.00 0.00 42.92 42.24 2qu4 s ASP 109 CO 0.14 -1.31 0.66 0.54 0.68 0.00 0.00 175.17 175.88 2qu4 n ARG 110 N -2.33 0.00 -0.24 2.11 1.74 -1.26 0.19 116.66 116.87 2qu4 n ARG 110 Ca 0.12 0.16 0.09 0.00 -0.77 0.00 0.00 57.85 57.45 2qu4 n ARG 110 Cb 0.60 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.76 2qu4 n ARG 110 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2qu4 n ASN 111 N -1.16 3.34 -1.87 0.55 4.05 -1.26 -4.95 115.26 113.97 2qu4 n ASN 111 Ca 0.00 -1.96 -0.18 0.00 0.45 0.00 0.00 54.58 52.89 2qu4 n ASN 111 Cb 0.00 -0.32 -0.03 0.00 1.23 0.00 0.00 39.78 40.66 2qu4 n ASN 111 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2qu4 n ASN 112 N 1.10 -5.22 -4.57 1.20 3.02 0.13 -5.00 115.26 105.93 2qu4 n ASN 112 Ca 0.17 0.11 -0.30 0.00 -0.03 0.00 0.00 54.58 54.53 2qu4 n ASN 112 Cb 0.52 -4.29 -0.10 0.00 -0.61 0.00 0.00 39.78 35.30 2qu4 n ASN 112 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2qu4 s GLN 113 N -4.52 2.12 0.15 3.52 -1.52 -1.25 -4.88 119.66 113.28 2qu4 s GLN 113 Ca 0.00 -1.02 -0.31 0.00 -1.95 0.00 0.00 55.36 52.08 2qu4 s GLN 113 Cb 0.00 -2.30 -0.11 0.00 -0.22 0.00 0.00 33.01 30.39 2qu4 s GLN 113 CO 0.00 0.51 1.77 -1.25 -0.25 0.00 0.00 175.29 176.07 2qu4 s PRO 114 N -2.11 4.14 -1.03 2.91 0.04 -1.26 -0.81 135.00 136.88 2qu4 s PRO 114 Ca 0.20 2.57 -0.23 0.00 0.04 0.00 0.00 61.00 63.59 2qu4 s PRO 114 Cb -0.11 -3.41 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2qu4 s PRO 114 CO 0.13 -0.80 1.58 1.21 0.04 0.00 0.00 177.00 179.16 2qu4 s ASN 115 N 2.14 6.23 0.27 6.66 3.04 0.13 -4.80 114.94 128.62 2qu4 s ASN 115 Ca 0.78 -1.40 0.00 0.00 0.04 0.00 0.00 52.86 52.28 2qu4 s ASN 115 Cb -0.47 -2.57 0.59 0.00 -1.54 0.00 0.00 41.25 37.27 2qu4 s ASN 115 CO 0.34 -1.76 1.73 0.74 -3.04 0.00 0.00 177.10 175.12 2qu4 h THR 116 N 6.76 0.61 -0.29 -5.21 2.02 -1.89 -2.10 112.91 112.80 2qu4 h THR 116 Ca 0.20 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.27 2qu4 h THR 116 Cb 0.99 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 2qu4 h THR 116 CO 1.39 0.09 -0.03 -0.08 0.37 0.00 0.00 175.52 177.26 2qu4 h GLU 117 N 0.49 0.05 -0.19 6.66 4.81 -1.98 -0.61 114.58 123.80 2qu4 h GLU 117 Ca 0.49 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.69 2qu4 h GLU 117 Cb 0.81 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2qu4 h GLU 117 CO -0.44 0.03 0.01 -0.91 -0.73 0.00 0.00 179.01 176.97 2qu4 h ASN 118 N 0.05 0.33 -0.39 1.04 2.35 -1.71 -2.13 115.58 115.11 2qu4 h ASN 118 Ca 0.14 -0.29 0.05 0.00 -0.55 0.00 0.00 56.30 55.64 2qu4 h ASN 118 Cb 0.19 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 2qu4 h ASN 118 CO -0.26 0.54 0.13 0.40 -1.65 0.00 0.00 177.43 176.59 2qu4 h ILE 119 N 0.10 0.87 -0.65 2.81 2.04 -1.19 0.16 117.51 121.66 2qu4 h ILE 119 Ca 0.06 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 2qu4 h ILE 119 Cb 0.37 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2qu4 h ILE 119 CO 0.01 0.05 0.12 -0.33 0.00 0.00 0.00 178.15 177.99 2qu4 h GLU 120 N 0.28 1.05 -0.65 2.37 4.39 -1.12 -0.72 114.58 120.18 2qu4 h GLU 120 Ca 0.18 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2qu4 h GLU 120 Cb 0.17 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2qu4 h GLU 120 CO -0.20 0.96 0.20 -0.09 -1.16 0.00 0.00 179.01 178.73 2qu4 h ARG 121 N 0.99 1.00 -0.22 2.33 2.43 -0.74 0.41 114.38 120.58 2qu4 h ARG 121 Ca 0.20 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2qu4 h ARG 121 Cb 0.41 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2qu4 h ARG 121 CO 0.01 0.85 0.07 -0.22 -1.51 0.00 0.00 179.97 179.17 2qu4 h LYS 122 N 0.96 0.35 -0.50 0.20 3.11 -0.04 -2.59 116.57 118.06 2qu4 h LYS 122 Ca 0.21 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 57.97 2qu4 h LYS 122 Cb 0.27 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 2qu4 h LYS 122 CO -0.01 0.44 0.30 0.87 -2.81 0.00 0.00 179.45 178.24 2qu4 h LYS 123 N 0.19 0.69 -0.20 1.90 1.57 -0.71 -2.73 116.57 117.28 2qu4 h LYS 123 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2qu4 h LYS 123 Cb 0.24 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2qu4 h LYS 123 CO -0.00 0.51 0.06 0.00 -0.57 0.00 0.00 179.45 179.45 2qu4 h ALA 124 N 1.14 1.74 -0.85 3.86 0.00 -0.87 -2.71 119.26 121.57 2qu4 h ALA 124 Ca 0.18 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2qu4 h ALA 124 Cb 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2qu4 h ALA 124 CO -0.03 0.21 0.49 -0.97 0.00 0.00 0.00 179.25 178.95 2qu4 h ASN 125 N 0.28 0.69 0.00 0.00 -1.24 -1.13 -0.86 115.58 113.33 2qu4 h ASN 125 Ca 0.07 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.13 2qu4 h ASN 125 Cb 0.09 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.06 2qu4 h ASN 125 CO -0.01 0.38 0.00 0.49 -1.29 0.00 0.00 177.43 177.00 2qu4 n PHE 126 N -4.74 0.00 0.11 0.67 3.01 -1.02 -3.02 117.46 112.47 2qu4 n PHE 126 Ca 0.15 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.70 2qu4 n PHE 126 Cb 0.31 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.78 2qu4 n PHE 126 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qu4 h ARG 127 N 0.00 0.00 -6.71 -1.08 -0.00 -1.27 -3.45 114.38 101.87 2qu4 h ARG 127 Ca 0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.98 58.93 2qu4 h ARG 127 Cb 0.01 0.00 0.08 0.00 0.00 0.00 0.00 29.97 30.06 2qu4 h ARG 127 CO 0.00 0.08 0.81 1.63 0.00 0.00 0.00 179.97 182.49 2qu4 n LYS 128 N -2.80 2.50 -2.86 0.04 5.02 -1.17 -4.95 118.16 113.95 2qu4 n LYS 128 Ca -0.01 0.89 -0.40 0.00 -2.02 0.00 0.00 58.31 56.77 2qu4 n LYS 128 Cb 0.61 -2.64 -0.06 0.00 -0.02 0.00 0.00 35.03 32.92 2qu4 n LYS 128 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2qu4 s LYS 129 N -0.26 4.70 0.03 1.97 -2.85 -1.26 -5.04 119.74 117.03 2qu4 s LYS 129 Ca 0.67 1.32 0.06 0.00 -1.00 0.00 0.00 55.97 57.02 2qu4 s LYS 129 Cb -0.55 -3.28 -0.02 0.00 -2.06 0.00 0.00 37.83 31.92 2qu4 s LYS 129 CO 0.47 0.51 -0.18 -1.50 0.10 0.00 0.00 175.35 174.75 2qu4 s ILE 130 N -1.04 1.45 0.11 3.79 2.07 -1.26 -4.40 121.20 121.91 2qu4 s ILE 130 Ca 0.39 -1.04 0.07 0.00 -1.41 0.00 0.00 60.65 58.66 2qu4 s ILE 130 Cb -0.24 -1.26 -0.03 0.00 0.13 0.00 0.00 42.46 41.05 2qu4 s ILE 130 CO 0.29 0.20 -0.17 0.42 -1.91 0.00 0.00 174.94 173.77 2qu4 s THR 131 N -0.72 1.44 -0.07 4.00 -4.23 -0.58 -4.78 115.64 110.70 2qu4 s THR 131 Ca 0.06 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 59.05 2qu4 s THR 131 Cb -0.08 -1.44 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 2qu4 s THR 131 CO 0.01 -0.24 -0.21 -0.22 -0.54 0.00 0.00 174.62 173.42 2qu4 s LEU 132 N -2.11 1.98 -0.00 4.79 2.96 -1.26 -2.11 118.68 122.94 2qu4 s LEU 132 Ca 0.06 -0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 53.21 2qu4 s LEU 132 Cb -0.08 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.35 2qu4 s LEU 132 CO 0.04 0.17 1.39 0.21 -1.32 0.00 0.00 176.35 176.83 2qu4 s ASN 133 N 0.13 6.87 0.00 3.68 2.47 -0.75 -2.95 114.94 124.39 2qu4 s ASN 133 Ca -0.09 2.09 0.00 0.00 0.42 0.00 0.00 52.86 55.28 2qu4 s ASN 133 Cb -0.15 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2qu4 s ASN 133 CO 0.05 -0.71 0.00 0.61 -3.72 0.00 0.00 177.10 173.33 2qu4 n GLY 134 N 3.62 0.67 3.72 1.21 0.00 -1.26 -4.75 105.19 108.40 2qu4 n GLY 134 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 2qu4 n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qu4 s GLY 135 N -1.97 -0.32 0.42 -0.02 0.00 -1.15 -5.18 107.32 99.11 2qu4 s GLY 135 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.23 2qu4 s GLY 135 CO 0.00 1.38 0.60 0.51 0.00 0.00 0.00 173.10 175.59 2qu4 s ASP 136 N -3.17 5.71 0.25 1.64 3.84 -1.26 -4.08 116.67 119.59 2qu4 s ASP 136 Ca 0.18 -0.15 0.09 0.00 -0.00 0.00 0.00 52.55 52.66 2qu4 s ASP 136 Cb 0.03 -1.02 -0.05 0.00 -1.38 0.00 0.00 42.92 40.50 2qu4 s ASP 136 CO -0.02 -0.73 -0.15 0.42 -0.00 0.00 0.00 175.17 174.69 2qu4 s THR 137 N -2.41 1.98 0.91 2.11 -4.23 -1.26 -4.86 115.64 107.88 2qu4 s THR 137 Ca 0.51 -2.26 -0.11 0.00 -1.18 0.00 0.00 61.69 58.65 2qu4 s THR 137 Cb -0.10 -2.21 0.14 0.00 1.34 0.00 0.00 72.50 71.67 2qu4 s THR 137 CO 0.34 -0.47 1.11 -0.36 -0.54 0.00 0.00 174.62 174.70 2qu4 s PHE 138 N -2.82 1.90 -0.18 3.99 0.40 -1.26 -4.69 117.98 115.32 2qu4 s PHE 138 Ca 0.26 1.59 0.01 0.00 -0.60 0.00 0.00 56.93 58.19 2qu4 s PHE 138 Cb -0.01 -3.22 0.03 0.00 0.51 0.00 0.00 43.02 40.32 2qu4 s PHE 138 CO 0.11 -2.66 -0.17 0.99 0.70 0.00 0.00 175.22 174.19 2qu4 s THR 139 N -2.72 1.87 -0.24 0.64 2.01 -0.43 -4.95 115.64 111.83 2qu4 s THR 139 Ca 0.65 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 61.54 2qu4 s THR 139 Cb -0.21 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 2qu4 s THR 139 CO 0.58 0.45 0.73 -0.63 -0.69 0.00 0.00 174.62 175.06 2qu4 s ILE 140 N 1.35 4.92 0.00 1.82 1.01 -1.26 -0.13 121.20 128.90 2qu4 s ILE 140 Ca 0.04 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.05 2qu4 s ILE 140 Cb -0.14 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2qu4 s ILE 140 CO -0.11 -0.01 0.00 0.29 0.00 0.00 0.00 174.94 175.11 2qu4 n LYS 141 N 5.75 0.00 -2.92 2.79 4.76 0.08 -4.93 118.16 123.70 2qu4 n LYS 141 Ca 0.02 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.07 2qu4 n LYS 141 Cb 0.48 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.62 2qu4 n LYS 141 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2qu4 s ASP 142 N -1.00 7.41 -0.12 4.39 2.15 -1.26 -4.95 116.67 123.29 2qu4 s ASP 142 Ca 0.00 1.68 0.01 0.00 0.43 0.00 0.00 52.55 54.67 2qu4 s ASP 142 Cb 0.00 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 2qu4 s ASP 142 CO 0.00 0.15 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.30 2qu4 s VAL 143 N -0.87 1.53 0.20 1.11 1.01 -1.26 -0.61 120.40 121.51 2qu4 s VAL 143 Ca 0.38 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.81 2qu4 s VAL 143 Cb -0.23 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2qu4 s VAL 143 CO 0.27 0.45 -0.15 -0.54 0.00 0.00 0.00 175.10 175.12 2qu4 s LYS 144 N 1.10 1.83 -0.00 2.72 1.02 -0.22 -4.96 119.74 121.22 2qu4 s LYS 144 Ca -0.04 -1.42 0.06 0.00 0.02 0.00 0.00 55.97 54.59 2qu4 s LYS 144 Cb -0.14 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2qu4 s LYS 144 CO -0.04 0.41 -0.20 0.08 -0.92 0.00 0.00 175.35 174.68 2qu4 s VAL 145 N -1.81 1.57 0.09 3.17 1.01 -1.26 -1.23 120.40 121.94 2qu4 s VAL 145 Ca 0.24 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2qu4 s VAL 145 Cb -0.08 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2qu4 s VAL 145 CO 0.13 0.39 -0.16 -0.04 0.00 0.00 0.00 175.10 175.43 2qu4 s MET 146 N -0.60 0.93 0.64 2.72 -1.94 -0.32 -4.95 119.30 115.78 2qu4 s MET 146 Ca 0.07 -1.05 -0.14 0.00 -1.71 0.00 0.00 55.69 52.86 2qu4 s MET 146 Cb -0.08 -0.99 -0.01 0.00 2.01 0.00 0.00 34.83 35.76 2qu4 s MET 146 CO -0.00 0.22 1.08 -1.25 -0.01 0.00 0.00 175.02 175.05 2qu4 s PRO 147 N -1.90 3.02 0.00 2.03 0.04 -1.26 -2.31 135.00 134.62 2qu4 s PRO 147 Ca 0.02 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2qu4 s PRO 147 Cb -0.09 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2qu4 s PRO 147 CO 0.03 -1.05 0.80 0.39 0.04 0.00 0.00 177.00 177.21 2qu4 n GLU 148 N -2.44 0.00 -0.16 4.56 1.02 -0.72 -4.43 120.64 118.48 2qu4 n GLU 148 Ca 0.09 0.42 -0.09 0.00 -0.02 0.00 0.00 57.16 57.56 2qu4 n GLU 148 Cb 0.53 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.59 2qu4 n GLU 148 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qu4 h SER 149 N 0.00 0.68 -1.00 1.62 0.87 -1.96 -3.35 113.55 110.41 2qu4 h SER 149 Ca 0.00 -0.23 0.21 0.00 -1.23 0.00 0.00 61.79 60.54 2qu4 h SER 149 Cb 0.00 -0.18 -0.11 0.00 -0.44 0.00 0.00 62.40 61.67 2qu4 h SER 149 CO 0.00 0.73 0.61 0.40 -0.53 0.00 0.00 176.83 178.04 2qu4 h ILE 150 N 0.60 0.64 0.00 2.23 2.04 -2.01 -2.48 117.51 118.53 2qu4 h ILE 150 Ca 0.14 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 2qu4 h ILE 150 Cb 0.31 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2qu4 h ILE 150 CO 0.00 0.12 -0.10 -0.65 0.00 0.00 0.00 178.15 177.52 2qu4 h PRO 151 N 0.67 0.00 0.00 2.37 0.11 -1.77 -1.86 132.00 131.52 2qu4 h PRO 151 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 2qu4 h PRO 151 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2qu4 h PRO 151 CO -0.40 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 177.50 2qu4 h ALA 152 N 1.90 1.00 -0.35 -0.75 0.00 -1.67 -1.69 119.26 117.70 2qu4 h ALA 152 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qu4 h ALA 152 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qu4 h ALA 152 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2qu4 n GLY 153 N -0.99 3.15 0.23 0.00 0.00 -0.70 -4.67 105.19 102.21 2qu4 n GLY 153 Ca -0.01 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 2qu4 n GLY 153 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qu4 h TYR 154 N 2.13 0.75 -0.85 1.61 3.20 -1.36 -1.22 116.97 121.23 2qu4 h TYR 154 Ca 0.00 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.95 2qu4 h TYR 154 Cb 1.00 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.96 2qu4 h TYR 154 CO 0.35 0.58 0.47 0.93 -1.64 0.00 0.00 178.16 178.85 2qu4 h GLU 155 N 0.70 0.72 -0.08 1.82 5.08 -1.6743169.18 114.58 43290.31 2qu4 h GLU 155 Ca 0.18 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2qu4 h GLU 155 Cb 0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2qu4 h GLU 155 CO -0.02 0.47 -0.18 0.28 -1.00 0.00 0.00 179.01 178.56 2qu4 h VAL 156 N 0.74 1.41 -0.83 3.13 2.07 1.42191.69 116.25 315.88 2qu4 h VAL 156 Ca 0.43 -1.50 0.14 0.00 0.82 0.00 0.00 66.70 66.58 2qu4 h VAL 156 Cb 0.50 2.20 -0.09 0.00 -1.52 0.00 0.00 31.29 32.37 2qu4 h VAL 156 CO -0.30 0.43 0.42 -0.07 0.02 0.00 0.00 177.57 178.07 2qu4 h LEU 157 N -0.21 0.52 -1.69 2.57 3.38380.99651.48 115.31 1152.36 2qu4 h LEU 157 Ca -0.00 0.09 0.30 0.00 0.09 0.00 0.00 57.88 58.35 2qu4 h LEU 157 Cb 0.78 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2qu4 h LEU 157 CO 0.04 0.23 0.74 1.56 0.09 0.00 0.00 178.44 181.10 2qu4 h GLN 158 N 0.62 0.19 -0.40 1.13 4.20 99.52 0.11 115.11 220.49 2qu4 h GLN 158 Ca 0.44 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.14 2qu4 h GLN 158 Cb 0.60 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2qu4 h GLN 158 CO -0.35 0.12 0.00 -0.85 -0.67 0.00 0.00 178.83 177.09 2qu4 n GLU 159 N -4.41 2.38 -3.00 1.46 0.28 2.76 -4.49 120.64 115.63 2qu4 n GLU 159 Ca 0.25 -2.09 -0.23 0.00 -0.16 0.00 0.00 57.16 54.92 2qu4 n GLU 159 Cb 1.04 -1.49 0.01 0.00 1.43 0.00 0.00 31.44 32.42 2qu4 n GLU 159 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2qu4 s LEU 160 N -1.42 3.68 0.27 -1.84 1.02 0.30 0.50 118.68 121.19 2qu4 s LEU 160 Ca 0.38 0.35 -0.24 0.00 0.02 0.00 0.00 54.13 54.64 2qu4 s LEU 160 Cb 0.22 -3.22 -0.09 0.00 0.02 0.00 0.00 46.19 43.11 2qu4 s LEU 160 CO 0.30 -0.66 0.86 -0.62 0.02 0.00 0.00 176.35 176.25 2qu4 s ASP 161 N -4.19 7.27 0.60 2.29 2.15 -1.26 -4.93 116.67 118.60 2qu4 s ASP 161 Ca 0.47 1.69 0.30 0.00 0.43 0.00 0.00 52.55 55.44 2qu4 s ASP 161 Cb -0.10 -2.52 1.65 0.00 -0.30 0.00 0.00 42.92 41.65 2qu4 s ASP 161 CO 0.38 0.01 2.05 -0.33 -0.17 0.00 0.00 175.17 177.11 2qu4 h GLU 162 N 3.42 0.00 0.00 4.34 5.08 -1.94 -3.50 114.58 121.98 2qu4 h GLU 162 Ca -0.47 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 2qu4 h GLU 162 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2qu4 h GLU 162 CO 0.65 0.00 -0.75 -0.07 -1.00 0.00 0.00 179.01 177.85 2qu4 h LEU 163 N 0.00 0.00 -5.28 1.33 3.38 -1.99 -3.53 115.31 109.22 2qu4 h LEU 163 Ca 0.10 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.75 2qu4 h LEU 163 Cb 0.62 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.52 2qu4 h LEU 163 CO -0.00 0.41 -1.16 0.47 0.09 0.00 0.00 178.44 178.25 2qu4 n ASP 164 N -3.06 -3.35 -3.78 -0.43 10.43 0.18 -5.24 116.55 111.30 2qu4 n ASP 164 Ca -0.01 0.09 -0.26 0.00 2.57 0.00 0.00 54.79 57.19 2qu4 n ASP 164 Cb 0.72 -0.43 -0.17 0.00 1.84 0.00 0.00 41.12 43.08 2qu4 n ASP 164 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2qu4 s SER 165 N -0.59 2.26 -0.20 -2.24 0.15 -1.26 -0.79 113.70 111.04 2qu4 s SER 165 Ca 0.23 -0.44 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 2qu4 s SER 165 Cb -0.09 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 2qu4 s SER 165 CO 0.48 -0.23 0.29 -0.22 1.20 0.00 0.00 173.24 174.76 2qu4 s LEU 166 N 1.88 4.18 -0.50 3.45 2.96 0.11 -0.25 118.68 130.50 2qu4 s LEU 166 Ca 0.02 0.41 -0.17 0.00 -0.22 0.00 0.00 54.13 54.17 2qu4 s LEU 166 Cb -0.14 -2.35 0.08 0.00 0.50 0.00 0.00 46.19 44.27 2qu4 s LEU 166 CO -0.07 0.03 0.51 -0.22 -1.32 0.00 0.00 176.35 175.28 2qu4 s LEU 167 N 0.91 5.44 -0.36 -0.68 1.98 0.03 -0.32 118.68 125.68 2qu4 s LEU 167 Ca 0.15 -1.24 -0.18 0.00 -2.89 0.00 0.00 54.13 49.97 2qu4 s LEU 167 Cb -0.14 -2.29 -0.00 0.00 0.66 0.00 0.00 46.19 44.43 2qu4 s LEU 167 CO 0.05 -0.79 0.48 -0.63 -1.89 0.00 0.00 176.35 173.57 2qu4 s ILE 168 N 2.07 5.04 -0.34 6.68 1.01 0.55 -0.83 121.20 135.37 2qu4 s ILE 168 Ca 0.08 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 2qu4 s ILE 168 Cb -0.23 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.31 2qu4 s ILE 168 CO 0.08 -0.24 0.13 -0.63 0.00 0.00 0.00 174.94 174.28 2qu4 s ILE 169 N 2.31 4.03 -0.40 2.92 1.01 0.54 -1.75 121.20 129.87 2qu4 s ILE 169 Ca 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2qu4 s ILE 169 Cb -0.16 -3.24 0.11 0.00 0.01 0.00 0.00 42.46 39.18 2qu4 s ILE 169 CO 0.13 -0.15 0.16 -0.62 0.00 0.00 0.00 174.94 174.46 2qu4 s ASP 170 N 1.46 5.01 -0.31 3.58 3.68 0.26 -0.19 116.67 130.16 2qu4 s ASP 170 Ca 0.00 -2.18 -0.14 0.00 2.13 0.00 0.00 52.55 52.36 2qu4 s ASP 170 Cb -0.19 -1.74 -0.03 0.00 -1.45 0.00 0.00 42.92 39.51 2qu4 s ASP 170 CO 0.04 -0.45 0.30 -0.22 0.13 0.00 0.00 175.17 174.96 2qu4 s LEU 171 N 0.90 4.23 0.00 -1.34 2.96 -0.53 -0.91 118.68 123.99 2qu4 s LEU 171 Ca 0.10 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2qu4 s LEU 171 Cb -0.21 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.21 2qu4 s LEU 171 CO -0.05 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 2qu4 n GLY 172 N 4.94 3.19 0.21 7.98 0.00 0.62 -0.57 105.19 121.56 2qu4 n GLY 172 Ca -0.11 -2.13 -0.07 0.00 0.00 0.00 0.00 46.02 43.70 2qu4 n GLY 172 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qu4 h GLY 173 N 0.00 0.72 0.00 -0.02 0.00 -1.94 -1.59 103.07 100.24 2qu4 h GLY 173 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2qu4 h GLY 173 CO 0.00 0.29 0.00 -1.30 0.00 0.00 0.00 176.54 175.53 2qu4 n THR 174 N -4.70 0.00 -4.21 4.70 -2.24 -1.26 -0.78 114.28 105.79 2qu4 n THR 174 Ca 0.02 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 2qu4 n THR 174 Cb 0.05 1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 2qu4 n THR 174 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qu4 s THR 175 N -0.12 0.53 -0.10 4.28 -4.23 -1.09 -3.43 115.64 111.47 2qu4 s THR 175 Ca 0.00 -1.96 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2qu4 s THR 175 Cb 0.00 -2.08 0.02 0.00 1.34 0.00 0.00 72.50 71.78 2qu4 s THR 175 CO 0.00 -0.49 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.29 2qu4 s LEU 176 N -3.14 1.19 -0.16 4.79 2.96 -0.30 -0.27 118.68 123.75 2qu4 s LEU 176 Ca 0.23 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2qu4 s LEU 176 Cb 0.06 -0.80 0.00 0.00 0.50 0.00 0.00 46.19 45.96 2qu4 s LEU 176 CO 0.03 -0.11 -0.17 -1.81 -1.32 0.00 0.00 176.35 172.97 2qu4 s ASP 177 N 1.61 3.48 -0.04 3.68 -0.00 -0.09 -1.02 116.67 124.29 2qu4 s ASP 177 Ca 0.03 -0.52 0.04 0.00 -0.00 0.00 0.00 52.55 52.10 2qu4 s ASP 177 Cb -0.13 -1.53 -0.00 0.00 -0.00 0.00 0.00 42.92 41.26 2qu4 s ASP 177 CO -0.07 0.07 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.39 2qu4 s ILE 178 N 0.89 1.31 -0.13 0.77 1.01 0.16 -0.58 121.20 124.63 2qu4 s ILE 178 Ca -0.04 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.81 2qu4 s ILE 178 Cb -0.15 -1.13 0.04 0.00 0.01 0.00 0.00 42.46 41.23 2qu4 s ILE 178 CO -0.02 0.38 0.38 -0.94 0.00 0.00 0.00 174.94 174.74 2qu4 s SER 179 N -0.00 -0.38 -0.31 3.58 1.04 -0.72 -0.29 113.70 116.62 2qu4 s SER 179 Ca -0.02 0.69 -0.09 0.00 0.48 0.00 0.00 55.95 57.02 2qu4 s SER 179 Cb -0.10 0.73 -0.00 0.00 0.10 0.00 0.00 66.02 66.75 2qu4 s SER 179 CO 0.01 -0.18 0.12 -1.58 0.98 0.00 0.00 173.24 172.60 2qu4 s GLN 180 N -0.01 3.24 -0.08 4.02 0.74 0.45 -0.33 119.66 127.68 2qu4 s GLN 180 Ca -0.02 -0.78 0.05 0.00 0.05 0.00 0.00 55.36 54.67 2qu4 s GLN 180 Cb -0.03 -3.49 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 2qu4 s GLN 180 CO 0.01 -0.43 -0.24 0.08 -0.55 0.00 0.00 175.29 174.16 2qu4 s VAL 181 N 1.57 2.10 0.50 1.34 1.01 0.57 -1.23 120.40 126.26 2qu4 s VAL 181 Ca 0.04 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 2qu4 s VAL 181 Cb -0.17 -1.78 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 2qu4 s VAL 181 CO 0.05 0.56 1.19 -0.04 0.00 0.00 0.00 175.10 176.86 2qu4 s MET 182 N 0.07 3.50 0.33 2.72 1.00 0.51 0.09 119.30 127.53 2qu4 s MET 182 Ca -0.11 1.80 -0.26 0.00 0.00 0.00 0.00 55.69 57.13 2qu4 s MET 182 Cb -0.16 -2.24 -0.14 0.00 0.00 0.00 0.00 34.83 32.29 2qu4 s MET 182 CO 0.06 -0.77 0.79 0.41 0.00 0.00 0.00 175.02 175.51 2qu4 n GLY 183 N 0.43 -0.86 2.51 -0.03 0.00164.26 4.99 105.19 276.48 2qu4 n GLY 183 Ca 0.09 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 2qu4 n GLY 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qu4 n LYS 184 N 0.66 -1.15 -3.56 1.61 5.02 51.79 3.13 118.16 175.66 2qu4 n LYS 184 Ca 0.11 0.88 -0.22 0.00 -2.02 0.00 0.00 58.31 57.07 2qu4 n LYS 184 Cb 0.34 -5.01 0.05 0.00 -0.02 0.00 0.00 35.03 30.39 2qu4 n LYS 184 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2qu4 n LEU 185 N -1.33 -3.78 -1.21 -0.35 0.008584.04 -3.03 117.00 8691.34 2qu4 n LEU 185 Ca -0.12 -0.82 0.12 0.00 0.00 0.00 0.00 56.01 55.19 2qu4 n LEU 185 Cb 0.47 -2.78 0.27 0.00 0.00 0.00 0.00 43.42 41.38 2qu4 n LEU 185 CO 0.18 0.34 0.74 -1.54 0.00 0.00 0.00 177.39 177.11 2qu4 n SER 186 N -3.01 3.55 0.00 1.96 3.41 0.31 -3.90 113.62 115.93 2qu4 n SER 186 Ca -0.19 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 2qu4 n SER 186 Cb 0.64 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2qu4 n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qu4 n GLY 187 N 1.55 2.13 3.15 5.00 0.00 -1.18 -4.47 105.19 111.36 2qu4 n GLY 187 Ca 0.21 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 2qu4 n GLY 187 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qu4 s ILE 188 N -2.00 1.59 -0.19 -0.61 1.09 -1.26 -1.29 121.20 118.53 2qu4 s ILE 188 Ca 0.00 -0.79 0.08 0.00 -1.10 0.00 0.00 60.65 58.85 2qu4 s ILE 188 Cb 0.00 -1.38 -0.18 0.00 -1.06 0.00 0.00 42.46 39.85 2qu4 s ILE 188 CO 0.00 0.45 -0.06 -1.54 -0.10 0.00 0.00 174.94 173.69 2qu4 n SER 189 N 3.31 1.57 -3.62 3.58 3.41 -0.37 -4.97 113.62 116.54 2qu4 n SER 189 Ca -0.19 -0.06 -0.14 0.00 -0.26 0.00 0.00 58.87 58.22 2qu4 n SER 189 Cb 0.53 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 2qu4 n SER 189 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2qu4 s LYS 190 N -2.42 0.82 0.09 4.33 2.20 -1.20 -5.00 119.74 118.56 2qu4 s LYS 190 Ca -0.18 0.86 0.08 0.00 -0.36 0.00 0.00 55.97 56.36 2qu4 s LYS 190 Cb 0.06 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.75 2qu4 s LYS 190 CO 0.60 -0.12 -0.20 0.42 -0.36 0.00 0.00 175.35 175.69 2qu4 s ILE 191 N 0.17 1.61 -0.20 5.43 1.09 -1.26 -0.41 121.20 127.63 2qu4 s ILE 191 Ca -0.01 -1.46 -0.11 0.00 -1.10 0.00 0.00 60.65 57.97 2qu4 s ILE 191 Cb -0.04 -1.47 0.06 0.00 -1.06 0.00 0.00 42.46 39.95 2qu4 s ILE 191 CO 0.01 -0.05 0.48 -0.47 -0.10 0.00 0.00 174.94 174.81 2qu4 s TYR 192 N -1.13 -0.72 -0.02 3.97 5.04 0.60 -4.98 117.35 120.11 2qu4 s TYR 192 Ca 0.05 1.51 0.03 0.00 -2.44 0.00 0.00 57.07 56.22 2qu4 s TYR 192 Cb -0.10 0.36 -0.00 0.00 0.35 0.00 0.00 41.96 42.57 2qu4 s TYR 192 CO 0.04 -0.39 -0.11 0.20 -1.34 0.00 0.00 175.55 173.94 2qu4 s GLY 193 N 1.46 0.60 -0.17 8.97 0.00 -1.26 -0.67 107.32 116.26 2qu4 s GLY 193 Ca -0.10 -0.44 -0.00 0.00 0.00 0.00 0.00 44.72 44.18 2qu4 s GLY 193 CO -0.15 -0.23 -0.07 -0.35 0.00 0.00 0.00 173.10 172.30 2qu4 s ASP 194 N 0.01 2.87 0.00 1.64 3.68 -0.19 -5.01 116.67 119.68 2qu4 s ASP 194 Ca -0.01 -0.66 0.25 0.00 2.13 0.00 0.00 52.55 54.26 2qu4 s ASP 194 Cb -0.08 -0.99 0.97 0.00 -1.45 0.00 0.00 42.92 41.37 2qu4 s ASP 194 CO 0.00 -0.16 1.68 -1.54 0.13 0.00 0.00 175.17 175.29 2qu4 n SER 195 N 4.83 1.42 -0.14 -0.34 3.41 -1.26 -1.15 113.62 120.39 2qu4 n SER 195 Ca -0.13 -1.56 0.06 0.00 -0.26 0.00 0.00 58.87 56.98 2qu4 n SER 195 Cb 0.48 -0.05 0.10 0.00 -0.26 0.00 0.00 64.21 64.48 2qu4 n SER 195 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qu4 n SER 196 N 0.13 2.37 -3.97 4.04 3.41 -1.26 -4.70 113.62 113.65 2qu4 n SER 196 Ca 0.18 -2.59 -0.29 0.00 -0.26 0.00 0.00 58.87 55.91 2qu4 n SER 196 Cb 0.32 -0.26 -0.17 0.00 -0.26 0.00 0.00 64.21 63.84 2qu4 n SER 196 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2qu4 s LEU 197 N -2.02 1.54 0.00 1.04 0.20 -1.22 -5.01 118.68 113.20 2qu4 s LEU 197 Ca 0.20 -0.46 -0.19 0.00 0.69 0.00 0.00 54.13 54.37 2qu4 s LEU 197 Cb 0.17 -1.04 0.07 0.00 -0.43 0.00 0.00 46.19 44.95 2qu4 s LEU 197 CO 0.03 -0.09 0.91 0.61 -0.29 0.00 0.00 176.35 177.52 2qu4 n GLY 198 N 4.84 0.72 0.31 7.98 0.00 -1.26 -2.39 105.19 115.40 2qu4 n GLY 198 Ca -0.15 -1.15 0.15 0.00 0.00 0.00 0.00 46.02 44.87 2qu4 n GLY 198 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qu4 h VAL 199 N 1.91 0.68 -0.43 1.61 2.07 -0.43 -1.94 116.25 119.72 2qu4 h VAL 199 Ca -0.26 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.38 2qu4 h VAL 199 Cb 1.11 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2qu4 h VAL 199 CO 0.35 0.00 0.38 0.77 0.02 0.00 0.00 177.57 179.08 2qu4 h SER 200 N 0.00 0.00 -0.92 0.57 4.64 -1.23 0.15 113.55 116.76 2qu4 h SER 200 Ca 0.07 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.43 2qu4 h SER 200 Cb 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 2qu4 h SER 200 CO -0.00 0.00 0.60 0.25 -0.87 0.00 0.00 176.83 176.81 2qu4 h LEU 201 N 0.00 1.00 0.21 5.97 6.46 -1.62 0.23 115.31 127.57 2qu4 h LEU 201 Ca 0.20 -0.01 -0.31 0.00 -0.12 0.00 0.00 57.88 57.64 2qu4 h LEU 201 Cb 0.96 -0.23 0.03 0.00 -0.73 0.00 0.00 40.66 40.68 2qu4 h LEU 201 CO -0.00 0.69 -1.42 0.58 -0.62 0.00 0.00 178.44 177.67 2qu4 h VAL 202 N 1.17 1.23 -0.65 1.05 2.07 -0.96 -3.12 116.25 117.04 2qu4 h VAL 202 Ca 0.36 -2.61 -0.00 0.00 0.82 0.00 0.00 66.70 65.27 2qu4 h VAL 202 Cb -0.01 3.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 2qu4 h VAL 202 CO -0.11 0.80 0.41 0.74 0.02 0.00 0.00 177.57 179.42 2qu4 h THR 203 N 0.01 1.18 -0.18 2.57 2.02 -0.98 -1.79 112.91 115.74 2qu4 h THR 203 Ca -0.26 -0.38 -0.11 0.00 0.77 0.00 0.00 66.41 66.44 2qu4 h THR 203 Cb 2.04 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2qu4 h THR 203 CO 0.22 0.18 -0.35 0.77 0.37 0.00 0.00 175.52 176.72 2qu4 h SER 204 N 0.88 0.38 -0.14 4.18 4.64 -0.67 -0.51 113.55 122.32 2qu4 h SER 204 Ca 0.23 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 2qu4 h SER 204 Cb -0.05 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2qu4 h SER 204 CO -0.05 0.71 -0.10 0.00 -0.87 0.00 0.00 176.83 176.53 2qu4 h ALA 205 N 1.32 1.31 -0.01 5.18 0.00 -1.39 -0.80 119.26 124.86 2qu4 h ALA 205 Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2qu4 h ALA 205 Cb 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qu4 h ALA 205 CO 0.06 0.46 -0.19 0.28 0.00 0.00 0.00 179.25 179.86 2qu4 h VAL 206 N 0.44 1.53 -0.92 0.00 2.07 -0.82 -2.59 116.25 115.96 2qu4 h VAL 206 Ca 0.09 -1.83 0.08 0.00 0.82 0.00 0.00 66.70 65.86 2qu4 h VAL 206 Cb 0.44 2.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.81 2qu4 h VAL 206 CO 0.02 0.50 0.57 0.11 0.02 0.00 0.00 177.57 178.79 2qu4 h LYS 207 N -0.50 0.96 -0.32 1.57 1.57 -0.98 -2.23 116.57 116.65 2qu4 h LYS 207 Ca -0.02 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2qu4 h LYS 207 Cb 0.92 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2qu4 h LYS 207 CO 0.04 0.63 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.87 2qu4 h ASP 208 N 0.98 0.63 1.31 0.86 3.32 -1.18 -1.12 116.42 121.22 2qu4 h ASP 208 Ca 0.42 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2qu4 h ASP 208 Cb 0.28 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2qu4 h ASP 208 CO -0.21 0.86 0.00 0.00 -1.72 0.00 0.00 179.24 178.17 2qu4 h ALA 209 N 1.19 1.00 -0.00 3.45 0.00 -1.00 -3.10 119.26 120.80 2qu4 h ALA 209 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qu4 h ALA 209 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qu4 h ALA 209 CO 0.05 0.00 -0.69 1.28 0.00 0.00 0.00 179.25 179.89 2qu4 n LEU 210 N -2.70 0.81 -1.41 0.00 4.77 -0.97 -4.76 117.00 112.74 2qu4 n LEU 210 Ca 0.03 -0.52 -0.14 0.00 -0.03 0.00 0.00 56.01 55.35 2qu4 n LEU 210 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2qu4 n LEU 210 CO 0.28 0.19 -0.16 -1.20 -1.33 0.00 0.00 177.39 175.17 2qu4 n SER 211 N -1.25 -4.44 -4.74 -1.43 7.64 -0.50 -4.95 113.62 103.96 2qu4 n SER 211 Ca 0.03 0.11 -0.39 0.00 1.01 0.00 0.00 58.87 59.63 2qu4 n SER 211 Cb 0.25 -3.45 0.03 0.00 -1.01 0.00 0.00 64.21 60.03 2qu4 n SER 211 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2qu4 n LEU 212 N -1.86 5.16 -4.54 -3.43 4.32 -0.73 -4.98 117.00 110.93 2qu4 n LEU 212 Ca -0.16 1.03 -0.28 0.00 -0.02 0.00 0.00 56.01 56.58 2qu4 n LEU 212 Cb 0.57 -1.57 0.23 0.00 -1.62 0.00 0.00 43.42 41.03 2qu4 n LEU 212 CO 0.20 -0.50 0.55 0.00 -1.22 0.00 0.00 177.39 176.42 2qu4 s ALA 213 N -1.25 -0.15 -1.09 -1.18 0.00 -1.26 -4.89 121.76 111.94 2qu4 s ALA 213 Ca 0.67 -0.25 0.23 0.00 0.00 0.00 0.00 51.96 52.62 2qu4 s ALA 213 Cb -0.44 -3.19 1.03 0.00 0.00 0.00 0.00 23.12 20.52 2qu4 s ALA 213 CO 0.53 -3.61 1.75 0.54 0.00 0.00 0.00 175.76 174.96 2qu4 n ARG 214 N -4.74 0.07 -1.58 0.00 1.74 -1.26 -4.67 116.66 106.22 2qu4 n ARG 214 Ca 0.03 0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.84 2qu4 n ARG 214 Cb 0.55 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.56 2qu4 n ARG 214 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qu4 n THR 215 N -1.46 3.74 0.30 0.55 -2.24 -1.26 -4.86 114.28 109.05 2qu4 n THR 215 Ca 0.07 -0.47 0.17 0.00 -2.27 0.00 0.00 64.05 61.54 2qu4 n THR 215 Cb 0.25 -1.17 0.79 0.00 -2.10 0.00 0.00 70.33 68.10 2qu4 n THR 215 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qu4 h LYS 216 N 0.29 0.00 -0.40 -0.78 1.63 -2.00 -2.14 116.57 113.16 2qu4 h LYS 216 Ca -0.49 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.26 2qu4 h LYS 216 Cb 1.36 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.97 2qu4 h LYS 216 CO 0.50 0.00 0.02 0.78 -3.45 0.00 0.00 179.45 177.29 2qu4 h GLY 217 N 1.25 0.68 2.00 5.01 0.00 -1.94 -1.55 103.07 108.52 2qu4 h GLY 217 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 2qu4 h GLY 217 CO 0.00 0.39 -0.52 1.48 0.00 0.00 0.00 176.54 177.89 2qu4 h SER 218 N 0.60 0.00 -0.63 0.19 4.64 -1.66 -2.75 113.55 113.94 2qu4 h SER 218 Ca 0.13 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 2qu4 h SER 218 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 2qu4 h SER 218 CO 0.01 0.52 0.08 0.28 -0.87 0.00 0.00 176.83 176.85 2qu4 h SER 219 N 0.00 1.03 -0.33 4.97 0.02 -1.29 0.18 113.55 118.13 2qu4 h SER 219 Ca -0.01 -0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.54 2qu4 h SER 219 Cb 1.19 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2qu4 h SER 219 CO 0.07 1.03 -0.37 1.88 -1.14 0.00 0.00 176.83 178.30 2qu4 h TYR 220 N 1.00 1.05 -0.33 3.45 0.05 -1.31 0.14 116.97 121.03 2qu4 h TYR 220 Ca 0.19 -0.31 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 2qu4 h TYR 220 Cb 0.46 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 2qu4 h TYR 220 CO 0.03 1.11 0.16 1.25 -1.05 0.00 0.00 178.16 179.67 2qu4 h LEU 221 N 0.72 0.42 -0.70 3.88 6.46 -1.16 -0.17 115.31 124.76 2qu4 h LEU 221 Ca 0.06 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 2qu4 h LEU 221 Cb 0.95 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.74 2qu4 h LEU 221 CO 0.09 0.42 0.31 0.00 -0.62 0.00 0.00 178.44 178.64 2qu4 h ALA 222 N 1.02 0.91 -0.64 1.25 0.00 -0.48 -0.55 119.26 120.77 2qu4 h ALA 222 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2qu4 h ALA 222 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2qu4 h ALA 222 CO -0.01 0.50 0.41 -0.44 0.00 0.00 0.00 179.25 179.71 2qu4 h ASP 223 N 0.99 0.70 -0.50 0.00 3.45 -0.59 -1.95 116.42 118.52 2qu4 h ASP 223 Ca 0.24 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.63 2qu4 h ASP 223 Cb 0.16 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 2qu4 h ASP 223 CO -0.02 0.50 0.09 0.44 -1.57 0.00 0.00 179.24 178.68 2qu4 h ASP 224 N 0.84 0.79 -0.80 6.45 3.32 -0.63 -0.87 116.42 125.52 2qu4 h ASP 224 Ca 0.24 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.05 2qu4 h ASP 224 Cb -0.06 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 2qu4 h ASP 224 CO -0.07 0.84 0.52 0.40 -1.72 0.00 0.00 179.24 179.21 2qu4 h ILE 225 N 0.70 1.21 -0.01 0.35 2.04 -0.76 -0.80 117.51 120.24 2qu4 h ILE 225 Ca 0.15 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2qu4 h ILE 225 Cb 0.38 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2qu4 h ILE 225 CO 0.01 0.20 -0.01 0.40 0.00 0.00 0.00 178.15 178.75 2qu4 h ILE 226 N 1.09 1.36 -0.67 -0.67 2.04 -1.11 -1.56 117.51 118.00 2qu4 h ILE 226 Ca 0.29 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 65.17 2qu4 h ILE 226 Cb -0.11 2.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 2qu4 h ILE 226 CO -0.06 0.29 0.29 0.40 0.00 0.00 0.00 178.15 179.06 2qu4 h ILE 227 N -0.43 0.78 -0.62 -0.67 2.04 -0.83 -2.47 117.51 115.31 2qu4 h ILE 227 Ca 0.00 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2qu4 h ILE 227 Cb 0.47 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 2qu4 h ILE 227 CO 0.00 0.09 0.09 1.41 0.00 0.00 0.00 178.15 179.74 2qu4 n HIS 228 N -4.95 2.19 -0.33 1.37 8.25 -0.33 -4.70 115.22 116.73 2qu4 n HIS 228 Ca 0.11 -0.89 0.23 0.00 -0.26 0.00 0.00 57.72 56.91 2qu4 n HIS 228 Cb 0.30 -0.57 0.52 0.00 1.12 0.00 0.00 29.99 31.36 2qu4 n HIS 228 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2qu4 h ARG 229 N 3.55 0.36 -0.00 -0.41 0.11 -0.78 0.07 114.38 117.28 2qu4 h ARG 229 Ca 0.08 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2qu4 h ARG 229 Cb 2.10 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 33.09 2qu4 h ARG 229 CO 0.57 0.24 -0.09 1.63 0.10 0.00 0.00 179.97 182.43 2qu4 n LYS 230 N -4.62 0.57 -3.52 0.08 5.02 -1.26 -4.55 118.16 109.88 2qu4 n LYS 230 Ca 0.26 -0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 2qu4 n LYS 230 Cb 0.90 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 2qu4 n LYS 230 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2qu4 s ASP 231 N -2.53 5.99 0.52 4.39 -1.08 0.01 -4.93 116.67 119.05 2qu4 s ASP 231 Ca 0.28 -2.77 0.21 0.00 -0.52 0.00 0.00 52.55 49.75 2qu4 s ASP 231 Cb 0.20 -2.03 1.32 0.00 -1.46 0.00 0.00 42.92 40.94 2qu4 s ASP 231 CO 0.48 -0.47 2.05 -1.13 0.52 0.00 0.00 175.17 176.61 2qu4 h ASN 232 N 7.40 0.04 -0.07 -0.34 -0.73 -1.81 -1.53 115.58 118.54 2qu4 h ASN 232 Ca 0.04 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.07 2qu4 h ASN 232 Cb 1.00 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.57 2qu4 h ASN 232 CO 0.74 0.02 -0.45 -1.13 -0.37 0.00 0.00 177.43 176.24 2qu4 h ASN 233 N 0.04 0.67 -0.56 1.15 -1.24 -1.94 -1.21 115.58 112.50 2qu4 h ASN 233 Ca 0.17 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.86 2qu4 h ASN 233 Cb 0.62 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.45 2qu4 h ASN 233 CO -0.01 1.03 0.37 0.22 -1.29 0.00 0.00 177.43 177.74 2qu4 h TYR 234 N 0.50 0.72 0.31 0.67 3.20 -1.62 -2.27 116.97 118.48 2qu4 h TYR 234 Ca 0.03 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2qu4 h TYR 234 Cb 0.98 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2qu4 h TYR 234 CO 0.04 0.46 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.80 2qu4 h LEU 235 N 0.76 -0.35 -0.92 2.82 3.38 -1.29 -1.86 115.31 117.84 2qu4 h LEU 235 Ca 0.21 -0.09 0.22 0.00 0.09 0.00 0.00 57.88 58.30 2qu4 h LEU 235 Cb -0.07 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.65 2qu4 h LEU 235 CO -0.04 -0.12 0.46 0.11 0.09 0.00 0.00 178.44 178.94 2qu4 h LYS 236 N -0.59 0.47 -0.49 1.13 1.57 -1.15 0.68 116.57 118.20 2qu4 h LYS 236 Ca -0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2qu4 h LYS 236 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2qu4 h LYS 236 CO 0.07 0.31 0.16 0.37 -0.57 0.00 0.00 179.45 179.79 2qu4 h GLN 237 N 0.48 0.71 0.00 3.15 5.75 -1.15 -3.35 115.11 120.70 2qu4 h GLN 237 Ca 0.57 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.96 2qu4 h GLN 237 Cb 1.06 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.49 2qu4 h GLN 237 CO -0.49 0.61 -0.05 -0.09 -2.65 0.00 0.00 178.83 176.16 2qu4 h ARG 238 N 0.70 0.00 -6.28 1.69 9.65 0.99 -3.44 114.38 117.70 2qu4 h ARG 238 Ca 0.17 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 58.46 2qu4 h ARG 238 Cb 0.19 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.68 2qu4 h ARG 238 CO -0.01 0.00 0.70 0.42 2.80 0.00 0.00 179.97 183.88 2qu4 s ILE 239 N -1.18 4.45 -1.11 1.20 1.01 0.10 -4.97 121.20 120.71 2qu4 s ILE 239 Ca -0.01 1.12 -0.16 0.00 0.00 0.00 0.00 60.65 61.60 2qu4 s ILE 239 Cb 0.00 -4.44 0.15 0.00 0.01 0.00 0.00 42.46 38.19 2qu4 s ILE 239 CO 0.02 -0.73 1.33 0.21 0.00 0.00 0.00 174.94 175.77 2qu4 s ASN 240 N 2.11 6.91 0.00 3.58 3.04 -1.26 -4.36 114.94 124.96 2qu4 s ASN 240 Ca 0.41 -2.63 0.00 0.00 0.04 0.00 0.00 52.86 50.67 2qu4 s ASN 240 Cb -0.10 -2.41 0.00 0.00 -1.54 0.00 0.00 41.25 37.20 2qu4 s ASN 240 CO 0.24 -0.87 0.00 -0.67 -3.04 0.00 0.00 177.10 172.75 2qu4 n ASP 241 N 6.05 0.00 0.23 -4.21 -0.08 -1.26 -5.00 116.55 112.28 2qu4 n ASP 241 Ca 0.32 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.67 2qu4 n ASP 241 Cb 0.45 0.00 0.55 0.00 2.34 0.00 0.00 41.12 44.46 2qu4 n ASP 241 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2qu4 h GLU 242 N 0.00 0.03 -0.13 -0.67 4.39 -1.97 -1.84 114.58 114.39 2qu4 h GLU 242 Ca 0.00 -0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2qu4 h GLU 242 Cb 0.00 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2qu4 h GLU 242 CO 0.00 0.12 -0.69 -0.91 -1.16 0.00 0.00 179.01 176.37 2qu4 h ASN 243 N 0.03 0.84 -0.80 1.42 2.35 -1.97 -2.82 115.58 114.63 2qu4 h ASN 243 Ca 0.01 -0.64 -0.02 0.00 -0.55 0.00 0.00 56.30 55.10 2qu4 h ASN 243 Cb 0.17 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 2qu4 h ASN 243 CO 0.01 1.34 0.43 0.11 -1.65 0.00 0.00 177.43 177.67 2qu4 h LYS 244 N 0.39 1.11 -0.02 0.81 1.79 -1.84 -2.18 116.57 116.64 2qu4 h LYS 244 Ca -0.05 -0.13 0.03 0.00 -2.18 0.00 0.00 60.65 58.32 2qu4 h LYS 244 Cb 1.33 -0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 31.73 2qu4 h LYS 244 CO 0.14 0.83 -0.18 0.82 -1.08 0.00 0.00 179.45 179.98 2qu4 h ILE 245 N 1.11 0.56 -0.71 1.86 1.08 -1.30 0.68 117.51 120.79 2qu4 h ILE 245 Ca 0.28 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.81 2qu4 h ILE 245 Cb 0.04 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 34.30 2qu4 h ILE 245 CO -0.04 0.00 0.40 0.28 -0.69 0.00 0.00 178.15 178.10 2qu4 h SER 246 N -0.28 0.60 0.13 1.72 0.02 -1.30 0.62 113.55 115.05 2qu4 h SER 246 Ca 0.06 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2qu4 h SER 246 Cb 0.36 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2qu4 h SER 246 CO -0.18 0.38 -0.06 0.40 -1.14 0.00 0.00 176.83 176.23 2qu4 h ILE 247 N 0.74 0.97 -0.62 3.27 2.04 -0.80 -2.44 117.51 120.66 2qu4 h ILE 247 Ca 0.32 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2qu4 h ILE 247 Cb 0.21 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2qu4 h ILE 247 CO -0.19 0.09 0.21 0.58 0.00 0.00 0.00 178.15 178.84 2qu4 h VAL 248 N -0.34 1.23 -0.16 1.67 2.07 -0.64 -2.36 116.25 117.72 2qu4 h VAL 248 Ca -0.02 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2qu4 h VAL 248 Cb 0.28 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2qu4 h VAL 248 CO 0.03 0.29 0.09 0.74 0.02 0.00 0.00 177.57 178.74 2qu4 h THR 249 N 0.90 1.09 0.00 2.57 2.02 -0.79 -0.86 112.91 117.84 2qu4 h THR 249 Ca 0.21 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 67.03 2qu4 h THR 249 Cb 0.22 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2qu4 h THR 249 CO -0.01 0.09 -0.51 1.05 0.37 0.00 0.00 175.52 176.50 2qu4 h GLU 250 N 0.17 0.00 -0.32 6.66 4.11 -1.37 0.13 114.58 123.95 2qu4 h GLU 250 Ca 0.06 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.41 2qu4 h GLU 250 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2qu4 h GLU 250 CO -0.01 0.51 -0.09 0.00 0.07 0.00 0.00 179.01 179.49 2qu4 h ALA 251 N 1.49 0.45 -0.09 1.06 0.00 -1.29 -0.93 119.26 119.94 2qu4 h ALA 251 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qu4 h ALA 251 Cb 1.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2qu4 h ALA 251 CO 0.07 0.29 0.05 1.98 0.00 0.00 0.00 179.25 181.64 2qu4 h MET 252 N 0.41 0.13 -0.51 0.00 1.85 -0.96 0.02 114.93 115.85 2qu4 h MET 252 Ca 0.08 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 2qu4 h MET 252 Cb 0.59 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.57 2qu4 h MET 252 CO 0.03 0.15 0.23 -0.91 -0.40 0.00 0.00 176.91 176.01 2qu4 h ASN 253 N 0.07 0.66 -0.24 1.39 -0.26 -0.92 -0.03 115.58 116.25 2qu4 h ASN 253 Ca 0.03 -0.07 -0.10 0.00 -0.56 0.00 0.00 56.30 55.61 2qu4 h ASN 253 Cb 0.06 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.15 2qu4 h ASN 253 CO -0.01 0.58 -0.23 -0.08 -1.06 0.00 0.00 177.43 176.63 2qu4 h GLU 254 N 0.73 0.58 -0.81 0.81 4.57 -0.80 -2.15 114.58 117.50 2qu4 h GLU 254 Ca 0.18 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 2qu4 h GLU 254 Cb 0.11 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 2qu4 h GLU 254 CO -0.02 0.90 0.34 0.00 -1.18 0.00 0.00 179.01 179.05 2qu4 h ALA 255 N 0.67 1.08 -0.58 2.92 0.00 -0.53 -2.21 119.26 120.61 2qu4 h ALA 255 Ca 0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2qu4 h ALA 255 Cb 0.79 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2qu4 h ALA 255 CO 0.06 0.66 0.03 -0.07 0.00 0.00 0.00 179.25 179.93 2qu4 h LEU 256 N 1.17 0.95 -0.15 0.00 3.38 -0.94 -0.69 115.31 119.02 2qu4 h LEU 256 Ca 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qu4 h LEU 256 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2qu4 h LEU 256 CO -0.03 0.99 0.08 0.03 0.09 0.00 0.00 178.44 179.60 2qu4 h ARG 257 N 0.91 0.22 -0.84 1.13 3.08 -1.11 0.50 114.38 118.26 2qu4 h ARG 257 Ca 0.17 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.21 2qu4 h ARG 257 Cb 0.49 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 2qu4 h ARG 257 CO 0.02 0.26 0.56 0.87 -1.07 0.00 0.00 179.97 180.61 2qu4 h LYS 258 N 0.12 1.07 0.76 0.04 1.57 -1.23 -0.67 116.57 118.24 2qu4 h LYS 258 Ca 0.05 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2qu4 h LYS 258 Cb 0.11 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.19 2qu4 h LYS 258 CO -0.01 0.71 -0.37 1.25 -0.57 0.00 0.00 179.45 180.47 2qu4 h LEU 259 N 1.10 -0.86 -0.64 2.94 6.46 -0.48 -1.75 115.31 122.07 2qu4 h LEU 259 Ca 0.32 0.02 0.12 0.00 -0.12 0.00 0.00 57.88 58.23 2qu4 h LEU 259 Cb -0.06 0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 40.00 2qu4 h LEU 259 CO -0.08 -0.60 0.15 -0.33 -0.62 0.00 0.00 178.44 176.96 2qu4 h GLU 260 N -1.05 0.27 -0.08 1.25 5.08 -0.54 -1.49 114.58 118.02 2qu4 h GLU 260 Ca -0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2qu4 h GLU 260 Cb 0.79 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2qu4 h GLU 260 CO 0.17 0.18 0.05 0.37 -1.00 0.00 0.00 179.01 178.78 2qu4 h GLN 261 N 0.28 0.11 -0.55 2.33 5.75 -1.02 -0.81 115.11 121.20 2qu4 h GLN 261 Ca 0.34 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.80 2qu4 h GLN 261 Cb 0.53 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 2qu4 h GLN 261 CO -0.43 0.12 0.20 0.00 -2.65 0.00 0.00 178.83 176.07 2qu4 h ARG 262 N 0.08 0.80 -0.24 1.69 3.08 -0.84 -0.38 114.38 118.56 2qu4 h ARG 262 Ca 0.03 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 2qu4 h ARG 262 Cb 0.03 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2qu4 h ARG 262 CO -0.01 0.67 -0.33 0.28 -1.07 0.00 0.00 179.97 179.51 2qu4 h VAL 263 N 0.78 1.32 -0.65 2.04 2.07 -1.09 -2.96 116.25 117.76 2qu4 h VAL 263 Ca 0.19 -1.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 2qu4 h VAL 263 Cb 0.18 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2qu4 h VAL 263 CO -0.01 0.48 0.21 -0.07 0.02 0.00 0.00 177.57 178.19 2qu4 h LEU 264 N 0.35 0.94 -1.69 2.57 3.38 -0.85 -1.15 115.31 118.86 2qu4 h LEU 264 Ca 0.03 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2qu4 h LEU 264 Cb 0.91 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2qu4 h LEU 264 CO 0.08 0.89 0.30 0.78 0.09 0.00 0.00 178.44 180.58 2qu4 h ASN 265 N 0.93 0.34 0.03 -0.43 2.35 -1.06 0.25 115.58 117.99 2qu4 h ASN 265 Ca 0.21 -0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.69 2qu4 h ASN 265 Cb 0.29 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 38.60 2qu4 h ASN 265 CO -0.01 0.22 -1.05 0.74 -1.65 0.00 0.00 177.43 175.69 2qu4 h THR 266 N 0.39 1.28 0.00 2.81 2.02 -1.26 -3.05 112.91 115.10 2qu4 h THR 266 Ca 0.19 -2.27 -0.01 0.00 0.77 0.00 0.00 66.41 65.09 2qu4 h THR 266 Cb 0.26 2.39 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2qu4 h THR 266 CO -0.05 0.70 -0.06 -0.07 0.37 0.00 0.00 175.52 176.42 2qu4 h LEU 267 N 0.38 0.00 -0.29 2.58 3.38 0.08 -0.79 115.31 120.66 2qu4 h LEU 267 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2qu4 h LEU 267 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2qu4 h LEU 267 CO 0.20 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.38 2qu4 n ASN 268 N -4.13 0.14 0.00 -0.43 5.03 -0.06 -0.93 115.26 114.89 2qu4 n ASN 268 Ca -0.03 0.56 0.12 0.00 0.87 0.00 0.00 54.58 56.10 2qu4 n ASN 268 Cb 0.14 -0.58 0.22 0.00 -1.02 0.00 0.00 39.78 38.55 2qu4 n ASN 268 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2qu4 n GLU 269 N -1.68 0.01 -3.99 3.52 1.02 -0.30 -4.89 120.64 114.34 2qu4 n GLU 269 Ca 0.01 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.91 2qu4 n GLU 269 Cb 0.06 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 2qu4 n GLU 269 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2qu4 s PHE 270 N -3.01 3.40 -0.11 -0.32 0.40 -0.10 -5.11 117.98 113.13 2qu4 s PHE 270 Ca 0.11 0.04 -0.30 0.00 -0.60 0.00 0.00 56.93 56.18 2qu4 s PHE 270 Cb 0.17 -1.59 0.12 0.00 0.51 0.00 0.00 43.02 42.23 2qu4 s PHE 270 CO 0.71 0.49 0.96 0.45 0.70 0.00 0.00 175.22 178.53 2qu4 s SER 271 N -3.48 -0.38 0.00 1.36 0.15 -1.26 -4.98 113.70 105.11 2qu4 s SER 271 Ca 0.34 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2qu4 s SER 271 Cb -0.10 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2qu4 s SER 271 CO 0.28 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2qu4 n GLY 272 N 0.44 0.49 3.79 9.45 0.00 -1.26 -5.06 105.19 113.04 2qu4 n GLY 272 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2qu4 n GLY 272 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qu4 s TYR 273 N -2.20 2.93 -0.02 1.61 1.13 -1.26 -4.74 117.35 114.80 2qu4 s TYR 273 Ca 0.00 1.56 0.06 0.00 -1.41 0.00 0.00 57.07 57.28 2qu4 s TYR 273 Cb 0.00 -3.11 -0.09 0.00 -1.10 0.00 0.00 41.96 37.66 2qu4 s TYR 273 CO 0.00 -1.00 0.12 0.25 -2.51 0.00 0.00 175.55 172.40 2qu4 n THR 274 N -1.13 0.05 -4.17 -3.49 -2.24 0.65 -4.95 114.28 99.01 2qu4 n THR 274 Ca 0.10 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 2qu4 n THR 274 Cb 0.52 0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 2qu4 n THR 274 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qu4 s HIS 275 N -2.38 1.08 0.02 4.78 3.76 -0.77 -4.96 115.29 116.82 2qu4 s HIS 275 Ca -0.02 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.34 2qu4 s HIS 275 Cb 0.04 -0.59 -0.02 0.00 1.11 0.00 0.00 32.58 33.12 2qu4 s HIS 275 CO 0.25 0.01 -0.14 0.08 -0.85 0.00 0.00 174.74 174.10 2qu4 s VAL 276 N -2.10 1.07 -0.02 -0.90 1.01 -0.29 -0.79 120.40 118.37 2qu4 s VAL 276 Ca 0.03 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2qu4 s VAL 276 Cb -0.05 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2qu4 s VAL 276 CO 0.01 0.11 -0.01 -0.32 0.00 0.00 0.00 175.10 174.88 2qu4 s MET 277 N -0.82 0.34 -0.15 2.72 -2.45 -0.01 -0.92 119.30 118.00 2qu4 s MET 277 Ca 0.03 0.01 0.02 0.00 -1.25 0.00 0.00 55.69 54.49 2qu4 s MET 277 Cb -0.07 -0.46 0.01 0.00 1.25 0.00 0.00 34.83 35.57 2qu4 s MET 277 CO 0.01 -0.07 -0.20 0.08 1.05 0.00 0.00 175.02 175.88 2qu4 s VAL 278 N 0.71 2.18 0.27 10.11 1.01 -0.38 -0.34 120.40 133.97 2qu4 s VAL 278 Ca -0.07 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.04 2qu4 s VAL 278 Cb -0.11 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2qu4 s VAL 278 CO -0.01 0.54 0.23 2.30 0.00 0.00 0.00 175.10 178.16 2qu4 n ILE 279 N 4.13 0.00 0.00 2.22 -5.35 0.74 -4.33 119.36 116.77 2qu4 n ILE 279 Ca -0.20 -1.98 0.00 0.00 -0.27 0.00 0.00 62.75 60.30 2qu4 n ILE 279 Cb 0.51 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 2qu4 n ILE 279 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qu4 n GLY 280 N -0.52 1.17 0.32 3.28 0.00 -1.26 -1.45 105.19 106.73 2qu4 n GLY 280 Ca 0.06 -1.87 0.18 0.00 0.00 0.00 0.00 46.02 44.40 2qu4 n GLY 280 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qu4 h GLY 281 N 0.00 0.00 -2.94 -0.02 0.00 -1.73 -1.86 103.07 96.51 2qu4 h GLY 281 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qu4 h GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2qu4 n GLY 282 N -1.25 2.61 0.32 4.60 0.00 0.26 -4.56 105.19 107.17 2qu4 n GLY 282 Ca -0.02 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.19 2qu4 n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qu4 h ALA 283 N 4.28 1.22 -0.41 4.61 0.00 -1.49 -2.11 119.26 125.35 2qu4 h ALA 283 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qu4 h ALA 283 Cb 1.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2qu4 h ALA 283 CO 0.12 0.21 0.16 1.49 0.00 0.00 0.00 179.25 181.23 2qu4 h GLU 284 N 0.91 0.59 0.00 0.00 4.57 -1.83 -1.31 114.58 117.51 2qu4 h GLU 284 Ca 0.40 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.49 2qu4 h GLU 284 Cb 0.27 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2qu4 h GLU 284 CO -0.21 0.49 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.02 2qu4 h LEU 285 N 0.58 0.00 -0.60 1.64 3.38 -1.71 -3.30 115.31 115.31 2qu4 h LEU 285 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qu4 h LEU 285 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qu4 h LEU 285 CO -0.01 0.03 0.00 2.30 0.09 0.00 0.00 178.44 180.85 2qu4 n ILE 286 N -3.13 0.00 -0.18 1.22 -5.35 -1.07 -4.82 119.36 106.03 2qu4 n ILE 286 Ca 0.01 -0.45 -0.10 0.00 -0.27 0.00 0.00 62.75 61.94 2qu4 n ILE 286 Cb 0.34 1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 39.25 2qu4 n ILE 286 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qu4 h ASP 288 N -0.29 0.50 -0.48 0.00 3.32 -1.88 -2.40 116.42 115.20 2qu4 h ASP 288 Ca 0.14 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2qu4 h ASP 288 Cb 0.57 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2qu4 h ASP 288 CO -0.65 0.46 0.24 0.00 -1.72 0.00 0.00 179.24 177.57 2qu4 h ALA 289 N 1.06 1.46 0.01 3.45 0.00 -1.80 -1.68 119.26 121.76 2qu4 h ALA 289 Ca 0.14 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 2qu4 h ALA 289 Cb 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qu4 h ALA 289 CO -0.02 0.43 -0.97 -0.39 0.00 0.00 0.00 179.25 178.30 2qu4 h VAL 290 N 0.72 1.38 -0.58 0.00 -1.51 -1.19 -1.68 116.25 113.40 2qu4 h VAL 290 Ca 0.18 -2.43 -0.04 0.00 -1.23 0.00 0.00 66.70 63.19 2qu4 h VAL 290 Cb 0.09 2.43 -0.03 0.00 -2.13 0.00 0.00 31.29 31.65 2qu4 h VAL 290 CO -0.02 0.73 0.22 0.50 -1.23 0.00 0.00 177.57 177.76 2qu4 h LYS 291 N 0.26 0.88 -0.36 5.19 3.64 -1.15 0.18 116.57 125.20 2qu4 h LYS 291 Ca -0.09 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 2qu4 h LYS 291 Cb 1.62 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 2qu4 h LYS 291 CO 0.17 0.76 -0.28 -0.22 -2.27 0.00 0.00 179.45 177.62 2qu4 h LYS 292 N 0.80 0.83 -0.28 1.90 3.64 -1.35 -1.16 116.57 120.95 2qu4 h LYS 292 Ca 0.19 -0.41 -0.15 0.00 -1.27 0.00 0.00 60.65 59.01 2qu4 h LYS 292 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2qu4 h LYS 292 CO -0.01 1.04 -0.45 1.25 -2.27 0.00 0.00 179.45 179.01 2qu4 h HIS 293 N 0.62 0.88 0.00 1.91 2.76 -1.02 -3.21 115.15 117.09 2qu4 h HIS 293 Ca 0.07 -0.28 -0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2qu4 h HIS 293 Cb 0.85 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 2qu4 h HIS 293 CO 0.06 1.04 -0.71 1.79 -1.30 0.00 0.00 177.93 178.82 2qu4 h THR 294 N 0.58 0.02 -5.90 6.26 1.35 -0.70 -3.48 112.91 111.04 2qu4 h THR 294 Ca 0.04 -1.03 -0.45 0.00 -0.55 0.00 0.00 66.41 64.42 2qu4 h THR 294 Cb 1.00 1.67 -0.05 0.00 -1.73 0.00 0.00 68.15 69.04 2qu4 h THR 294 CO 0.10 0.01 -0.69 0.00 -0.25 0.00 0.00 175.52 174.68 2qu4 n GLN 295 N -2.81 -4.81 -3.30 4.72 6.02 -0.44 -4.95 117.38 111.80 2qu4 n GLN 295 Ca 0.01 0.59 -0.34 0.00 -0.01 0.00 0.00 57.00 57.25 2qu4 n GLN 295 Cb 0.55 -5.43 -0.06 0.00 1.02 0.00 0.00 30.24 26.32 2qu4 n GLN 295 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2qu4 s ILE 296 N -3.19 4.81 0.56 5.09 2.07 -1.25 -5.05 121.20 124.24 2qu4 s ILE 296 Ca 0.56 0.80 -0.19 0.00 -1.41 0.00 0.00 60.65 60.42 2qu4 s ILE 296 Cb -0.29 -3.69 -0.05 0.00 0.13 0.00 0.00 42.46 38.56 2qu4 s ILE 296 CO 0.70 0.07 1.12 0.00 -1.91 0.00 0.00 174.94 174.91 2qu4 s ARG 297 N -2.40 3.30 0.29 3.50 1.70 -1.26 -4.89 118.95 119.19 2qu4 s ARG 297 Ca 0.44 1.55 0.04 0.00 -0.47 0.00 0.00 55.73 57.29 2qu4 s ARG 297 Cb -0.13 -2.00 0.69 0.00 -0.57 0.00 0.00 34.95 32.93 2qu4 s ARG 297 CO 0.20 -0.88 1.75 -0.44 -1.08 0.00 0.00 175.30 174.85 2qu4 h ASP 298 N 1.02 0.61 0.26 -2.89 3.32 -1.97 0.26 116.42 117.03 2qu4 h ASP 298 Ca -0.49 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2qu4 h ASP 298 Cb 1.26 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2qu4 h ASP 298 CO 0.57 0.19 0.00 -1.84 -1.72 0.00 0.00 179.24 176.43 2qu4 n GLU 299 N -4.86 0.41 -0.10 3.56 0.28 -1.26 -2.03 120.64 116.64 2qu4 n GLU 299 Ca 0.22 0.06 0.03 0.00 -0.16 0.00 0.00 57.16 57.31 2qu4 n GLU 299 Cb 0.56 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 32.02 2qu4 n GLU 299 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2qu4 n ARG 300 N -1.19 2.65 -4.97 3.44 3.00 0.06 -4.98 116.66 114.67 2qu4 n ARG 300 Ca 0.12 -1.75 -0.32 0.00 -0.01 0.00 0.00 57.85 55.89 2qu4 n ARG 300 Cb 0.13 -1.16 -0.17 0.00 0.00 0.00 0.00 32.46 31.27 2qu4 n ARG 300 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2qu4 s PHE 301 N -0.96 2.62 0.04 -1.55 5.36 -0.86 -1.14 117.98 121.48 2qu4 s PHE 301 Ca 0.13 -1.16 0.07 0.00 -0.96 0.00 0.00 56.93 55.01 2qu4 s PHE 301 Cb 0.07 -1.76 -0.02 0.00 -0.34 0.00 0.00 43.02 40.97 2qu4 s PHE 301 CO 0.09 -0.49 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.11 2qu4 s PHE 302 N 0.54 1.66 -0.42 10.12 0.40 -0.10 -4.95 117.98 125.23 2qu4 s PHE 302 Ca -0.14 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 55.90 2qu4 s PHE 302 Cb -0.17 -0.99 0.22 0.00 0.51 0.00 0.00 43.02 42.59 2qu4 s PHE 302 CO 0.04 0.07 0.48 1.63 0.70 0.00 0.00 175.22 178.15 2qu4 n LYS 303 N 1.90 0.73 -0.16 0.44 5.02 -1.26 -1.25 118.16 123.58 2qu4 n LYS 303 Ca -0.17 -3.35 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 2qu4 n LYS 303 Cb 0.54 -1.45 0.06 0.00 -0.02 0.00 0.00 35.03 34.16 2qu4 n LYS 303 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2qu4 n THR 304 N 1.79 0.60 -1.39 -0.18 -2.24 -1.26 -5.05 114.28 106.56 2qu4 n THR 304 Ca 0.24 -0.25 -0.23 0.00 -2.27 0.00 0.00 64.05 61.54 2qu4 n THR 304 Cb 0.50 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 2qu4 n THR 304 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qu4 n ASN 305 N 0.12 1.46 -0.34 3.42 4.13 -1.26 -3.97 115.26 118.83 2qu4 n ASN 305 Ca 0.06 -2.52 -0.00 0.00 1.68 0.00 0.00 54.58 53.79 2qu4 n ASN 305 Cb 0.45 -1.46 0.06 0.00 -1.54 0.00 0.00 39.78 37.29 2qu4 n ASN 305 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2qu4 h ASN 306 N 11.03 -1.24 -2.71 6.41 -0.00 -1.91 -3.53 115.58 123.62 2qu4 h ASN 306 Ca 0.09 0.29 -0.00 0.00 -0.00 0.00 0.00 56.30 56.67 2qu4 h ASN 306 Cb 0.92 0.68 0.00 0.00 -0.00 0.00 0.00 38.32 39.92 2qu4 h ASN 306 CO 1.27 -0.30 0.28 -1.54 -0.00 0.00 0.00 177.43 177.15 2qu4 n SER 307 N -5.50 -1.99 0.29 1.15 3.41 -1.26 -4.71 113.62 105.01 2qu4 n SER 307 Ca 0.10 -2.35 0.18 0.00 -0.26 0.00 0.00 58.87 56.55 2qu4 n SER 307 Cb 0.41 3.31 0.81 0.00 -0.26 0.00 0.00 64.21 68.48 2qu4 n SER 307 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2qu4 h GLN 308 N 0.00 0.00 -0.17 4.33 3.07 -2.01 -2.78 115.11 117.54 2qu4 h GLN 308 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.45 2qu4 h GLN 308 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 2qu4 h GLN 308 CO 0.37 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.95 2qu4 n TYR 309 N -3.06 0.22 -0.17 0.06 4.02 -1.26 -4.40 117.16 112.57 2qu4 n TYR 309 Ca -0.00 -0.11 -0.03 0.00 -0.01 0.00 0.00 57.90 57.75 2qu4 n TYR 309 Cb 0.25 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.60 2qu4 n TYR 309 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2qu4 h ASP 310 N 2.07 -0.59 0.93 7.72 3.45 -1.91 0.12 116.42 128.21 2qu4 h ASP 310 Ca 0.00 0.17 -0.05 0.00 0.43 0.00 0.00 57.03 57.58 2qu4 h ASP 310 Cb 0.46 0.36 0.01 0.00 -0.56 0.00 0.00 39.33 39.60 2qu4 h ASP 310 CO 0.00 -0.20 -0.45 0.25 -1.57 0.00 0.00 179.24 177.27 2qu4 h LEU 311 N -0.04 -1.07 -1.48 1.55 6.46 -1.86 -0.60 115.31 118.27 2qu4 h LEU 311 Ca 0.25 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 2qu4 h LEU 311 Cb 0.42 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 2qu4 h LEU 311 CO -0.55 -0.76 0.07 1.62 -0.62 0.00 0.00 178.44 178.20 2qu4 h VAL 312 N -1.26 1.14 -0.46 1.05 3.04 -1.82 -0.57 116.25 117.37 2qu4 h VAL 312 Ca -0.13 -0.48 -0.05 0.00 -1.01 0.00 0.00 66.70 65.03 2qu4 h VAL 312 Cb 0.96 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.07 2qu4 h VAL 312 CO 0.21 0.17 0.08 -1.13 -1.01 0.00 0.00 177.57 175.89 2qu4 h ASN 313 N 0.41 0.73 -0.71 3.17 -1.24 -0.66 -0.69 115.58 116.60 2qu4 h ASN 313 Ca 0.10 -0.26 -0.03 0.00 0.71 0.00 0.00 56.30 56.83 2qu4 h ASN 313 Cb 0.16 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 2qu4 h ASN 313 CO -0.00 0.80 0.35 1.23 -1.29 0.00 0.00 177.43 178.51 2qu4 h GLY 314 N 0.63 1.11 1.02 1.57 0.00 -0.16 -0.03 103.07 107.21 2qu4 h GLY 314 Ca 0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2qu4 h GLY 314 CO 0.01 0.51 0.36 -0.33 0.00 0.00 0.00 176.54 177.09 2qu4 h MET 315 N 1.03 1.08 -0.24 4.80 2.86 -0.71 -1.96 114.93 121.80 2qu4 h MET 315 Ca 0.25 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2qu4 h MET 315 Cb 0.11 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2qu4 h MET 315 CO -0.03 0.84 0.14 -0.92 1.06 0.00 0.00 176.91 177.99 2qu4 h TYR 316 N 1.05 0.32 -0.64 -0.22 3.20 -0.29 -1.93 116.97 118.47 2qu4 h TYR 316 Ca 0.26 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.13 2qu4 h TYR 316 Cb 0.11 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2qu4 h TYR 316 CO 0.01 0.26 0.42 -0.07 -1.64 0.00 0.00 178.16 177.14 2qu4 h LEU 317 N 0.29 0.72 -0.16 2.82 3.38 -0.68 0.56 115.31 122.24 2qu4 h LEU 317 Ca 0.08 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2qu4 h LEU 317 Cb 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2qu4 h LEU 317 CO -0.01 0.52 -0.32 0.40 0.09 0.00 0.00 178.44 179.11 2qu4 h ILE 318 N 0.85 1.35 0.00 1.22 2.04 -1.07 -3.39 117.51 118.52 2qu4 h ILE 318 Ca 0.24 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.52 2qu4 h ILE 318 Cb -0.08 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2qu4 h ILE 318 CO -0.05 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.18 2qu4 n GLY 319 N 0.42 1.53 0.00 5.37 0.00 -0.75 -5.12 105.19 106.63 2qu4 n GLY 319 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2qu4 n GLY 319 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31