#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qs1 s THR 5 N 0.00 4.44 0.14 5.15 2.01 -1.26 -4.48 115.64 121.63 2qs1 s THR 5 Ca 0.00 1.66 -0.30 0.00 0.31 0.00 0.00 61.69 63.36 2qs1 s THR 5 Cb 0.00 -4.34 -0.07 0.00 0.01 0.00 0.00 72.50 68.10 2qs1 s THR 5 CO 0.00 -0.44 1.21 -0.76 -0.69 0.00 0.00 174.62 173.94 2qs1 s LEU 6 N 3.75 4.42 -0.18 4.42 1.43 0.16 -4.84 118.68 127.84 2qs1 s LEU 6 Ca 0.48 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 55.52 2qs1 s LEU 6 Cb -0.14 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 2qs1 s LEU 6 CO 0.16 -0.41 0.71 -0.63 0.23 0.00 0.00 176.35 176.40 2qs1 s ILE 7 N 0.35 4.97 -0.26 -0.59 -1.09 -1.26 -0.68 121.20 122.64 2qs1 s ILE 7 Ca 0.55 1.36 -0.04 0.00 -2.23 0.00 0.00 60.65 60.29 2qs1 s ILE 7 Cb -0.32 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.55 2qs1 s ILE 7 CO 0.34 0.09 0.00 -0.69 -1.23 0.00 0.00 174.94 173.45 2qs1 s VAL 8 N 1.93 3.45 0.19 2.92 1.01 -0.24 0.35 120.40 130.01 2qs1 s VAL 8 Ca 0.33 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 2qs1 s VAL 8 Cb -0.16 -2.72 -0.08 0.00 0.00 0.00 0.00 36.38 33.41 2qs1 s VAL 8 CO 0.11 0.20 0.78 0.28 0.00 0.00 0.00 175.10 176.47 2qs1 s THR 9 N 1.43 4.41 0.21 3.92 -1.32 0.39 -0.48 115.64 124.21 2qs1 s THR 9 Ca 0.02 1.60 -0.04 0.00 -1.21 0.00 0.00 61.69 62.07 2qs1 s THR 9 Cb -0.16 -4.05 0.02 0.00 -1.51 0.00 0.00 72.50 66.79 2qs1 s THR 9 CO -0.01 0.41 0.35 1.07 -2.21 0.00 0.00 174.62 174.23 2qs1 n THR 10 N 1.28 0.00 -3.86 5.08 5.66 -1.00 -2.03 114.28 119.40 2qs1 n THR 10 Ca -0.04 -0.84 -0.12 0.00 -3.05 0.00 0.00 64.05 60.00 2qs1 n THR 10 Cb 0.49 0.61 -0.13 0.00 -1.55 0.00 0.00 70.33 69.76 2qs1 n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2qs1 s ILE 11 N -2.59 0.02 -0.07 1.09 2.07 -1.26 -0.67 121.20 119.80 2qs1 s ILE 11 Ca 0.14 -0.16 -0.30 0.00 -1.41 0.00 0.00 60.65 58.92 2qs1 s ILE 11 Cb -0.01 -0.17 -0.06 0.00 0.13 0.00 0.00 42.46 42.35 2qs1 s ILE 11 CO 0.10 -0.09 1.70 -0.76 -1.91 0.00 0.00 174.94 173.98 2qs1 s LEU 12 N -0.25 4.26 -0.30 8.50 1.43 -1.26 -4.46 118.68 126.59 2qs1 s LEU 12 Ca -0.03 2.21 -0.07 0.00 -1.03 0.00 0.00 54.13 55.21 2qs1 s LEU 12 Cb -0.02 -3.53 0.17 0.00 0.03 0.00 0.00 46.19 42.83 2qs1 s LEU 12 CO 0.00 -1.01 0.72 -0.70 0.23 0.00 0.00 176.35 175.59 2qs1 s GLU 13 N 4.22 0.49 0.18 1.70 2.56 -0.61 -4.98 118.70 122.26 2qs1 s GLU 13 Ca 0.76 1.04 -0.30 0.00 0.00 0.00 0.00 54.97 56.46 2qs1 s GLU 13 Cb -0.33 0.60 -0.08 0.00 2.00 0.00 0.00 34.13 36.31 2qs1 s GLU 13 CO 0.31 -0.37 1.30 -2.00 -0.56 0.00 0.00 175.26 173.94 2qs1 s GLU 14 N 2.83 4.39 -0.33 4.30 2.12 -1.26 0.70 118.70 131.45 2qs1 s GLU 14 Ca 0.07 2.02 0.09 0.00 0.36 0.00 0.00 54.97 57.51 2qs1 s GLU 14 Cb -0.12 -3.22 0.75 0.00 0.26 0.00 0.00 34.13 31.80 2qs1 s GLU 14 CO -0.19 -0.26 1.82 -0.35 -0.54 0.00 0.00 175.26 175.75 2qs1 n PRO 15 N 2.87 3.69 0.01 4.30 -0.04 -1.26 -4.95 135.00 139.63 2qs1 n PRO 15 Ca 0.07 -3.08 -0.18 0.00 -0.04 0.00 0.00 63.50 60.28 2qs1 n PRO 15 Cb 0.43 -2.23 -0.12 0.00 -0.04 0.00 0.00 33.50 31.55 2qs1 n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qs1 h TYR 16 N 2.62 0.57 -2.89 0.54 -1.99 -0.06 -0.88 116.97 114.87 2qs1 h TYR 16 Ca 0.29 -0.33 -0.21 0.00 2.00 0.00 0.00 58.73 60.48 2qs1 h TYR 16 Cb 2.39 -0.06 -0.32 0.00 2.00 0.00 0.00 36.73 40.74 2qs1 h TYR 16 CO 1.32 1.16 -0.53 0.08 -0.00 0.00 0.00 178.16 180.20 2qs1 s VAL 17 N -3.07 -0.35 0.01 -2.88 1.01 -0.42 -0.77 120.40 113.94 2qs1 s VAL 17 Ca -0.13 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 2qs1 s VAL 17 Cb 0.03 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 2qs1 s VAL 17 CO 0.82 0.11 0.13 -0.04 0.00 0.00 0.00 175.10 176.11 2qs1 s MET 18 N 2.23 0.49 0.21 2.72 -1.94 0.32 -1.58 119.30 121.75 2qs1 s MET 18 Ca -0.00 -0.45 -0.30 0.00 -1.71 0.00 0.00 55.69 53.23 2qs1 s MET 18 Cb -0.12 0.20 -0.09 0.00 2.01 0.00 0.00 34.83 36.84 2qs1 s MET 18 CO -0.08 -0.12 1.29 0.71 -0.01 0.00 0.00 175.02 176.81 2qs1 s TYR 19 N -1.51 3.26 0.36 -0.03 1.51 -1.26 -0.60 117.35 119.08 2qs1 s TYR 19 Ca -0.14 1.26 -0.28 0.00 -1.01 0.00 0.00 57.07 56.90 2qs1 s TYR 19 Cb -0.07 -3.59 -0.10 0.00 -0.11 0.00 0.00 41.96 38.09 2qs1 s TYR 19 CO 0.01 -1.79 1.38 1.03 -1.11 0.00 0.00 175.55 175.07 2qs1 s ARG 20 N -0.28 4.19 -1.34 -0.62 0.52 -0.29 -4.81 118.95 116.33 2qs1 s ARG 20 Ca 0.55 2.36 -0.17 0.00 -0.52 0.00 0.00 55.73 57.95 2qs1 s ARG 20 Cb -0.36 -2.98 0.06 0.00 0.52 0.00 0.00 34.95 32.18 2qs1 s ARG 20 CO 0.39 -0.38 1.87 1.17 0.02 0.00 0.00 175.30 178.38 2qs1 n LYS 21 N 0.56 3.09 -3.64 3.54 4.81 -1.26 -4.86 118.16 120.40 2qs1 n LYS 21 Ca 0.01 -3.09 -0.15 0.00 -0.87 0.00 0.00 58.31 54.21 2qs1 n LYS 21 Cb 0.41 -3.44 -0.08 0.00 0.02 0.00 0.00 35.03 31.94 2qs1 n LYS 21 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2qs1 s SER 22 N 3.98 -0.59 -0.01 3.14 0.15 -1.26 -5.01 113.70 114.09 2qs1 s SER 22 Ca 0.52 0.99 0.18 0.00 0.70 0.00 0.00 55.95 58.34 2qs1 s SER 22 Cb 0.07 0.98 0.54 0.00 -1.71 0.00 0.00 66.02 65.89 2qs1 s SER 22 CO 0.04 -0.33 1.45 0.47 1.20 0.00 0.00 173.24 176.07 2qs1 n ASP 23 N 2.16 3.70 -4.72 5.45 8.00 -1.26 -5.01 116.55 124.87 2qs1 n ASP 23 Ca -0.16 -2.06 -0.31 0.00 0.71 0.00 0.00 54.79 52.97 2qs1 n ASP 23 Cb 0.56 -0.42 0.13 0.00 -0.02 0.00 0.00 41.12 41.37 2qs1 n ASP 23 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2qs1 s LYS 24 N -1.11 1.65 -0.79 -1.24 1.02 -1.26 -4.87 119.74 113.15 2qs1 s LYS 24 Ca 0.41 1.40 -0.26 0.00 0.02 0.00 0.00 55.97 57.55 2qs1 s LYS 24 Cb 0.22 -1.81 -0.00 0.00 -0.52 0.00 0.00 37.83 35.72 2qs1 s LYS 24 CO 0.26 -2.13 1.67 -1.25 -0.92 0.00 0.00 175.35 172.98 2qs1 s PRO 25 N -4.69 2.91 -0.10 -1.68 0.04 -1.26 -4.92 135.00 125.30 2qs1 s PRO 25 Ca 0.65 -0.12 0.04 0.00 0.04 0.00 0.00 61.00 61.61 2qs1 s PRO 25 Cb -0.21 -4.67 -0.00 0.00 0.04 0.00 0.00 34.50 29.66 2qs1 s PRO 25 CO 0.56 -2.66 -0.23 -0.51 0.04 0.00 0.00 177.00 174.19 2qs1 s LEU 26 N 7.81 2.14 0.18 -3.56 1.43 -1.26 -5.10 118.68 120.31 2qs1 s LEU 26 Ca 0.56 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 2qs1 s LEU 26 Cb -0.08 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 2qs1 s LEU 26 CO 0.09 0.17 -0.13 -0.31 0.23 0.00 0.00 176.35 176.39 2qs1 s TYR 27 N 0.31 1.54 0.00 0.29 1.51 -1.26 -4.62 117.35 115.12 2qs1 s TYR 27 Ca -0.17 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 2qs1 s TYR 27 Cb -0.18 -0.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 2qs1 s TYR 27 CO 0.08 0.25 0.00 0.41 -1.11 0.00 0.00 175.55 175.19 2qs1 n GLY 28 N -0.23 3.26 0.30 0.71 0.00 -1.26 -1.29 105.19 106.67 2qs1 n GLY 28 Ca -0.09 -0.10 0.16 0.00 0.00 0.00 0.00 46.02 45.98 2qs1 n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qs1 h ASN 29 N 0.95 0.00 0.75 1.61 2.35 -1.91 -2.76 115.58 116.57 2qs1 h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qs1 h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qs1 h ASN 29 CO 0.00 0.02 0.00 0.47 -1.65 0.00 0.00 177.43 176.27 2qs1 n ASP 30 N -3.72 0.36 0.21 5.81 10.43 -0.41 -2.27 116.55 126.96 2qs1 n ASP 30 Ca -0.03 0.58 0.15 0.00 2.57 0.00 0.00 54.79 58.06 2qs1 n ASP 30 Cb 0.11 -0.66 0.61 0.00 1.84 0.00 0.00 41.12 43.02 2qs1 n ASP 30 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 2qs1 h ARG 31 N 0.00 0.00 -6.42 -1.24 3.08 -1.58 -3.44 114.38 104.78 2qs1 h ARG 31 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2qs1 h ARG 31 Cb 0.37 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.28 2qs1 h ARG 31 CO 0.00 0.00 -0.73 -0.06 -1.07 0.00 0.00 179.97 178.11 2qs1 s PHE 32 N -3.52 2.59 0.19 3.04 0.40 -0.96 -1.14 117.98 118.58 2qs1 s PHE 32 Ca 0.02 -0.24 -0.08 0.00 -0.60 0.00 0.00 56.93 56.03 2qs1 s PHE 32 Cb 0.09 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.36 2qs1 s PHE 32 CO 0.46 0.53 0.30 -1.83 0.70 0.00 0.00 175.22 175.39 2qs1 s GLU 33 N -2.93 1.27 0.00 0.44 -1.05 0.23 -4.75 118.70 111.91 2qs1 s GLU 33 Ca 0.25 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.78 2qs1 s GLU 33 Cb -0.08 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 2qs1 s GLU 33 CO 0.15 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.30 2qs1 n GLY 34 N -0.27 3.25 0.28 -3.83 0.00 -1.26 -0.52 105.19 102.85 2qs1 n GLY 34 Ca -0.04 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.25 2qs1 n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qs1 h TYR 35 N 0.00 0.37 0.00 1.61 3.20 -0.87 -0.91 116.97 120.37 2qs1 h TYR 35 Ca 0.00 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 2qs1 h TYR 35 Cb 0.00 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2qs1 h TYR 35 CO 0.00 -0.07 -0.53 0.00 -1.64 0.00 0.00 178.16 175.92 2qs1 h LEU 37 N 0.00 0.95 -0.51 0.00 -0.00 -1.36 -0.55 115.31 113.85 2qs1 h LEU 37 Ca -0.01 -0.45 -0.05 0.00 -0.00 0.00 0.00 57.88 57.38 2qs1 h LEU 37 Cb 1.09 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.47 2qs1 h LEU 37 CO 0.07 1.20 0.13 0.44 -0.00 0.00 0.00 178.44 180.29 2qs1 h ASP 38 N 0.71 0.76 -0.36 -0.43 3.32 -0.89 -1.19 116.42 118.33 2qs1 h ASP 38 Ca 0.07 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2qs1 h ASP 38 Cb 0.91 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2qs1 h ASP 38 CO 0.08 0.78 0.21 0.25 -1.72 0.00 0.00 179.24 178.85 2qs1 h LEU 39 N 0.70 0.44 -0.77 1.55 5.85 -0.92 -1.72 115.31 120.44 2qs1 h LEU 39 Ca 0.16 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2qs1 h LEU 39 Cb 0.31 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2qs1 h LEU 39 CO -0.00 0.38 0.46 0.25 -0.34 0.00 0.00 178.44 179.19 2qs1 h LEU 40 N 0.47 0.92 -0.51 2.25 5.85 -0.96 0.86 115.31 124.19 2qs1 h LEU 40 Ca 0.13 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2qs1 h LEU 40 Cb 0.03 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2qs1 h LEU 40 CO -0.02 0.72 0.34 0.50 -0.34 0.00 0.00 178.44 179.63 2qs1 h LYS 41 N 1.05 0.67 -0.51 1.25 1.63 -0.91 0.31 116.57 120.05 2qs1 h LYS 41 Ca 0.27 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.01 2qs1 h LYS 41 Cb -0.04 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 2qs1 h LYS 41 CO -0.05 0.44 0.22 0.93 -3.45 0.00 0.00 179.45 177.54 2qs1 h GLU 42 N 0.69 0.76 -0.53 1.90 4.39 -0.70 -1.30 114.58 119.78 2qs1 h GLU 42 Ca 0.19 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.77 2qs1 h GLU 42 Cb -0.07 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 2qs1 h GLU 42 CO -0.05 0.65 0.35 -0.07 -1.16 0.00 0.00 179.01 178.74 2qs1 h LEU 43 N 0.68 0.60 -0.56 1.33 3.38 -0.52 -0.79 115.31 119.43 2qs1 h LEU 43 Ca 0.17 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2qs1 h LEU 43 Cb 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2qs1 h LEU 43 CO -0.02 0.44 0.35 -1.28 0.09 0.00 0.00 178.44 178.02 2qs1 h SER 44 N 0.71 0.58 0.30 -0.43 0.87 -0.71 -0.24 113.55 114.63 2qs1 h SER 44 Ca 0.19 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 2qs1 h SER 44 Cb -0.08 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2qs1 h SER 44 CO -0.04 0.41 -0.44 0.78 -0.53 0.00 0.00 176.83 177.00 2qs1 h ASN 45 N 0.70 0.20 -0.01 6.23 2.35 -0.90 0.75 115.58 124.89 2qs1 h ASN 45 Ca 0.22 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 2qs1 h ASN 45 Cb -0.00 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2qs1 h ASN 45 CO -0.09 0.62 -0.25 0.40 -1.65 0.00 0.00 177.43 176.47 2qs1 h ILE 46 N 0.15 1.53 0.00 2.81 2.04 -0.88 -3.36 117.51 119.81 2qs1 h ILE 46 Ca 0.01 -1.90 -0.17 0.00 1.00 0.00 0.00 64.86 63.80 2qs1 h ILE 46 Cb 0.85 2.71 -0.03 0.00 -0.74 0.00 0.00 36.82 39.61 2qs1 h ILE 46 CO 0.07 0.52 -1.07 -0.07 0.00 0.00 0.00 178.15 177.60 2qs1 h LEU 47 N -0.47 0.00 -2.74 1.44 4.07 -1.03 -3.49 115.31 113.09 2qs1 h LEU 47 Ca -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 2qs1 h LEU 47 Cb 0.99 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.74 2qs1 h LEU 47 CO 0.05 0.66 -0.08 0.61 -1.08 0.00 0.00 178.44 178.60 2qs1 n GLY 48 N 1.35 0.64 3.34 0.83 0.00 0.26 -5.06 105.19 106.54 2qs1 n GLY 48 Ca -0.05 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 2qs1 n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qs1 s PHE 49 N -3.04 1.93 0.23 1.61 -0.12 -1.03 -5.05 117.98 112.51 2qs1 s PHE 49 Ca 0.03 -0.43 -0.07 0.00 -0.05 0.00 0.00 56.93 56.41 2qs1 s PHE 49 Cb -0.00 -0.99 -0.06 0.00 -0.63 0.00 0.00 43.02 41.33 2qs1 s PHE 49 CO 0.07 0.32 0.51 -0.51 -0.05 0.00 0.00 175.22 175.57 2qs1 s LEU 50 N -2.40 4.16 0.10 -1.99 1.43 -1.26 -4.77 118.68 113.95 2qs1 s LEU 50 Ca 0.14 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 2qs1 s LEU 50 Cb -0.08 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.59 2qs1 s LEU 50 CO 0.06 -0.08 0.26 -0.72 0.23 0.00 0.00 176.35 176.11 2qs1 s TYR 51 N -1.85 0.03 -0.17 0.29 -0.85 -1.26 -0.66 117.35 112.87 2qs1 s TYR 51 Ca 0.45 -0.41 -0.03 0.00 -0.52 0.00 0.00 57.07 56.56 2qs1 s TYR 51 Cb -0.11 0.05 0.06 0.00 0.38 0.00 0.00 41.96 42.33 2qs1 s TYR 51 CO 0.24 -0.59 0.04 0.34 -1.52 0.00 0.00 175.55 174.06 2qs1 s ASP 52 N -2.80 2.61 -0.04 -0.18 2.15 0.14 -4.90 116.67 113.66 2qs1 s ASP 52 Ca 0.04 -0.68 -0.30 0.00 0.43 0.00 0.00 52.55 52.04 2qs1 s ASP 52 Cb 0.04 -0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 42.12 2qs1 s ASP 52 CO -0.11 -0.30 1.11 -0.69 -0.17 0.00 0.00 175.17 175.01 2qs1 s VAL 53 N 1.93 4.47 -0.13 1.11 1.01 -1.26 -1.08 120.40 126.44 2qs1 s VAL 53 Ca 0.00 1.77 0.01 0.00 0.00 0.00 0.00 61.98 63.76 2qs1 s VAL 53 Cb -0.16 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2qs1 s VAL 53 CO -0.08 0.04 -0.13 -0.54 0.00 0.00 0.00 175.10 174.39 2qs1 s LYS 54 N 1.78 2.15 0.24 2.72 1.02 0.37 -4.84 119.74 123.18 2qs1 s LYS 54 Ca 0.54 -0.51 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 2qs1 s LYS 54 Cb -0.23 -1.96 -0.10 0.00 -0.52 0.00 0.00 37.83 35.03 2qs1 s LYS 54 CO 0.23 -0.19 1.37 -0.51 -0.92 0.00 0.00 175.35 175.33 2qs1 s LEU 55 N 1.37 4.40 0.05 3.17 1.43 -1.26 -2.39 118.68 125.45 2qs1 s LEU 55 Ca 0.01 2.55 -0.30 0.00 -1.03 0.00 0.00 54.13 55.36 2qs1 s LEU 55 Cb -0.13 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 2qs1 s LEU 55 CO -0.08 -0.61 1.95 0.54 0.23 0.00 0.00 176.35 178.39 2qs1 s VAL 56 N -0.07 2.93 0.28 -1.59 0.11 0.16 -4.87 120.40 117.35 2qs1 s VAL 56 Ca 0.57 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.66 2qs1 s VAL 56 Cb -0.39 -3.01 0.27 0.00 -1.53 0.00 0.00 36.38 31.71 2qs1 s VAL 56 CO 0.42 -0.00 1.77 -0.65 -3.33 0.00 0.00 175.10 173.31 2qs1 h PRO 57 N 10.27 0.68 -0.01 1.54 0.11 -1.91 -1.33 132.00 141.36 2qs1 h PRO 57 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qs1 h PRO 57 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qs1 h PRO 57 CO 0.94 0.45 -0.04 -0.40 -0.21 0.00 0.00 178.00 178.74 2qs1 n ASP 58 N -4.82 0.78 -1.98 -2.05 5.68 -1.26 -4.93 116.55 107.96 2qs1 n ASP 58 Ca 0.20 -1.11 -0.19 0.00 -0.50 0.00 0.00 54.79 53.19 2qs1 n ASP 58 Cb 0.49 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 2qs1 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qs1 n GLY 59 N 1.15 0.19 3.52 6.12 0.00 -0.50 -4.98 105.19 110.68 2qs1 n GLY 59 Ca 0.19 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2qs1 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qs1 s LYS 60 N -4.59 1.86 -0.04 1.61 1.02 -1.26 -5.00 119.74 113.34 2qs1 s LYS 60 Ca 0.00 -1.32 -0.22 0.00 0.02 0.00 0.00 55.97 54.45 2qs1 s LYS 60 Cb 0.00 -2.07 -0.16 0.00 -0.52 0.00 0.00 37.83 35.08 2qs1 s LYS 60 CO 0.00 0.43 0.93 1.88 -0.92 0.00 0.00 175.35 177.68 2qs1 h TYR 61 N 3.16 -0.20 0.00 3.18 -1.99 -1.93 -2.50 116.97 116.68 2qs1 h TYR 61 Ca -0.47 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2qs1 h TYR 61 Cb 1.20 0.07 0.00 0.00 2.00 0.00 0.00 36.73 40.00 2qs1 h TYR 61 CO 0.65 0.23 0.00 0.41 -0.00 0.00 0.00 178.16 179.45 2qs1 n GLY 62 N 0.50 2.74 3.16 3.88 0.00 -1.26 -1.51 105.19 112.69 2qs1 n GLY 62 Ca -0.08 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2qs1 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qs1 s ALA 63 N 0.00 0.91 0.02 4.61 0.00 -1.26 -4.93 121.76 121.11 2qs1 s ALA 63 Ca 0.00 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 50.66 2qs1 s ALA 63 Cb 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 2qs1 s ALA 63 CO 0.00 -0.32 -0.23 1.14 0.00 0.00 0.00 175.76 176.35 2qs1 s GLN 64 N -3.90 1.68 0.69 0.00 -2.07 -1.26 -2.07 119.66 112.73 2qs1 s GLN 64 Ca 0.15 -0.91 -0.01 0.00 -1.82 0.00 0.00 55.36 52.76 2qs1 s GLN 64 Cb 0.06 -1.73 0.14 0.00 -1.09 0.00 0.00 33.01 30.39 2qs1 s GLN 64 CO -0.04 0.46 0.95 0.27 -1.32 0.00 0.00 175.29 175.61 2qs1 n ASN 65 N 2.15 1.15 -0.04 12.60 0.23 -0.58 -4.92 115.26 125.86 2qs1 n ASN 65 Ca -0.16 -2.00 0.11 0.00 -0.53 0.00 0.00 54.58 52.00 2qs1 n ASN 65 Cb 0.52 -0.62 0.52 0.00 -2.08 0.00 0.00 39.78 38.12 2qs1 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2qs1 h ASP 66 N -0.64 0.31 -0.05 0.53 3.32 -2.01 -0.53 116.42 117.35 2qs1 h ASP 66 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2qs1 h ASP 66 Cb 1.12 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2qs1 h ASP 66 CO 0.32 0.20 0.00 0.29 -1.72 0.00 0.00 179.24 178.33 2qs1 n LYS 67 N -4.47 1.19 -1.11 3.56 5.02 -1.26 -4.87 118.16 116.22 2qs1 n LYS 67 Ca 0.08 -0.28 -0.04 0.00 -2.02 0.00 0.00 58.31 56.05 2qs1 n LYS 67 Cb 0.33 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 2qs1 n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qs1 n GLY 68 N 0.81 0.67 3.74 0.72 0.00 -0.21 -5.02 105.19 105.90 2qs1 n GLY 68 Ca 0.11 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 2qs1 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qs1 s GLU 69 N -2.33 4.30 0.23 1.61 2.02 -1.25 -4.86 118.70 118.42 2qs1 s GLU 69 Ca 0.00 0.50 0.05 0.00 0.02 0.00 0.00 54.97 55.54 2qs1 s GLU 69 Cb 0.00 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 2qs1 s GLU 69 CO 0.00 0.24 0.35 -1.58 0.02 0.00 0.00 175.26 174.29 2qs1 s TRP 70 N 0.34 3.45 0.12 1.61 0.52 -1.26 -1.53 118.94 122.19 2qs1 s TRP 70 Ca 0.27 -0.01 0.01 0.00 0.02 0.00 0.00 56.10 56.39 2qs1 s TRP 70 Cb -0.16 -1.58 -0.00 0.00 -1.15 0.00 0.00 33.47 30.58 2qs1 s TRP 70 CO 0.12 0.45 0.03 0.27 0.02 0.00 0.00 176.95 177.84 2qs1 n ASN 71 N -1.33 1.40 0.00 2.95 0.23 -0.88 -4.71 115.26 112.92 2qs1 n ASN 71 Ca -0.09 -1.62 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 2qs1 n ASN 71 Cb 0.57 0.24 0.00 0.00 -2.08 0.00 0.00 39.78 38.51 2qs1 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qs1 n GLY 72 N 1.96 0.71 0.29 4.83 0.00 -1.26 -1.70 105.19 110.03 2qs1 n GLY 72 Ca -0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 2qs1 n GLY 72 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qs1 h MET 73 N 0.00 0.69 -0.55 1.61 2.86 -0.79 -2.21 114.93 116.55 2qs1 h MET 73 Ca 0.00 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2qs1 h MET 73 Cb 0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 2qs1 h MET 73 CO 0.00 0.63 0.34 0.28 1.06 0.00 0.00 176.91 179.22 2qs1 h VAL 74 N 0.68 1.08 -0.90 -2.22 2.07 -1.59 -1.94 116.25 113.43 2qs1 h VAL 74 Ca 0.15 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2qs1 h VAL 74 Cb 0.25 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2qs1 h VAL 74 CO -0.00 0.12 0.54 0.50 0.02 0.00 0.00 177.57 178.76 2qs1 h LYS 75 N 0.68 1.21 -1.01 1.57 1.63 -0.72 -1.42 116.57 118.52 2qs1 h LYS 75 Ca 0.22 -0.11 0.02 0.00 -0.85 0.00 0.00 60.65 59.92 2qs1 h LYS 75 Cb -0.01 -0.26 -0.05 0.00 -0.60 0.00 0.00 32.23 31.31 2qs1 h LYS 75 CO -0.08 0.85 0.67 0.93 -3.45 0.00 0.00 179.45 178.36 2qs1 h GLU 76 N 1.23 1.31 -0.19 1.90 4.39 -1.02 -0.62 114.58 121.58 2qs1 h GLU 76 Ca 0.32 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.89 2qs1 h GLU 76 Cb -0.06 -0.30 -0.00 0.00 -0.10 0.00 0.00 28.75 28.29 2qs1 h GLU 76 CO -0.06 0.87 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.49 2qs1 h LEU 77 N 1.35 0.41 -0.99 1.33 3.38 -1.00 -0.03 115.31 119.75 2qs1 h LEU 77 Ca 0.38 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2qs1 h LEU 77 Cb -0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 2qs1 h LEU 77 CO -0.09 0.74 0.65 0.40 0.09 0.00 0.00 178.44 180.22 2qs1 h ILE 78 N 0.08 1.13 -0.00 1.22 2.04 -0.84 -1.41 117.51 119.72 2qs1 h ILE 78 Ca 0.04 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2qs1 h ILE 78 Cb 0.59 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2qs1 h ILE 78 CO 0.03 0.22 0.00 0.47 0.00 0.00 0.00 178.15 178.87 2qs1 n ASP 79 N -4.48 0.28 -2.66 1.72 8.00 -0.28 -4.90 116.55 114.22 2qs1 n ASP 79 Ca 0.14 -1.12 -0.20 0.00 0.71 0.00 0.00 54.79 54.32 2qs1 n ASP 79 Cb 0.14 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2qs1 n ASP 79 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2qs1 n HIS 80 N -0.77 -1.42 1.21 1.24 8.25 -0.53 -4.87 115.22 118.32 2qs1 n HIS 80 Ca 0.22 0.19 0.13 0.00 -0.26 0.00 0.00 57.72 58.00 2qs1 n HIS 80 Cb 0.15 -3.86 0.27 0.00 1.12 0.00 0.00 29.99 27.67 2qs1 n HIS 80 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qs1 n ARG 81 N -3.34 1.39 -3.85 -0.41 1.74 -0.06 -4.87 116.66 107.27 2qs1 n ARG 81 Ca -0.17 -0.98 -0.12 0.00 -0.77 0.00 0.00 57.85 55.81 2qs1 n ARG 81 Cb 0.64 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.50 2qs1 n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qs1 s ALA 82 N -2.28 -0.35 -0.05 7.54 0.00 -1.09 -4.92 121.76 120.60 2qs1 s ALA 82 Ca 0.27 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 2qs1 s ALA 82 Cb 0.20 -0.05 -0.26 0.00 0.00 0.00 0.00 23.12 23.00 2qs1 s ALA 82 CO 0.45 -0.15 0.62 -0.44 0.00 0.00 0.00 175.76 176.24 2qs1 h ASP 83 N 4.98 0.34 -4.66 0.00 3.32 -0.44 -3.41 116.42 116.55 2qs1 h ASP 83 Ca -0.28 -0.61 -0.32 0.00 0.02 0.00 0.00 57.03 55.83 2qs1 h ASP 83 Cb 1.20 -0.11 -0.21 0.00 0.22 0.00 0.00 39.33 40.42 2qs1 h ASP 83 CO 0.41 1.53 -0.75 -0.76 -1.72 0.00 0.00 179.24 177.95 2qs1 s LEU 84 N -6.84 2.26 -0.32 1.55 1.43 -1.04 -4.26 118.68 111.46 2qs1 s LEU 84 Ca -0.13 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 2qs1 s LEU 84 Cb 0.07 -0.28 0.04 0.00 0.03 0.00 0.00 46.19 46.05 2qs1 s LEU 84 CO 0.82 -0.16 0.05 0.00 0.23 0.00 0.00 176.35 177.29 2qs1 s ALA 85 N -1.33 2.93 -0.42 4.21 0.00 0.51 -0.46 121.76 127.21 2qs1 s ALA 85 Ca -0.07 -1.76 -0.04 0.00 0.00 0.00 0.00 51.96 50.09 2qs1 s ALA 85 Cb -0.10 -2.11 0.11 0.00 0.00 0.00 0.00 23.12 21.02 2qs1 s ALA 85 CO 0.01 -1.31 0.23 0.08 0.00 0.00 0.00 175.76 174.77 2qs1 s VAL 86 N 1.33 3.44 0.14 0.00 1.01 -0.86 -1.50 120.40 123.95 2qs1 s VAL 86 Ca -0.03 -2.01 -0.25 0.00 0.00 0.00 0.00 61.98 59.68 2qs1 s VAL 86 Cb -0.20 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 32.91 2qs1 s VAL 86 CO 0.01 -0.71 0.83 0.00 0.00 0.00 0.00 175.10 175.24 2qs1 s ALA 87 N 1.18 -1.61 -0.97 5.51 0.00 -1.26 -4.60 121.76 120.00 2qs1 s ALA 87 Ca 0.08 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 2qs1 s ALA 87 Cb -0.23 0.66 -0.10 0.00 0.00 0.00 0.00 23.12 23.45 2qs1 s ALA 87 CO -0.04 -0.90 2.05 -0.35 0.00 0.00 0.00 175.76 176.52 2qs1 n PRO 88 N -0.39 1.94 -3.68 0.00 -0.04 -1.26 -4.64 135.00 126.93 2qs1 n PRO 88 Ca -0.08 -1.97 -0.38 0.00 -0.04 0.00 0.00 63.50 61.02 2qs1 n PRO 88 Cb 0.61 -2.94 -0.12 0.00 -0.04 0.00 0.00 33.50 31.02 2qs1 n PRO 88 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qs1 s LEU 89 N 1.22 4.02 0.15 1.53 2.96 -1.26 -4.99 118.68 122.31 2qs1 s LEU 89 Ca 0.53 -0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 53.60 2qs1 s LEU 89 Cb 0.14 -1.97 -0.08 0.00 0.50 0.00 0.00 46.19 44.78 2qs1 s LEU 89 CO 0.05 -0.18 1.25 -0.89 -1.32 0.00 0.00 176.35 175.26 2qs1 s THR 90 N 1.59 3.56 -0.27 3.68 2.01 -1.26 -1.74 115.64 123.21 2qs1 s THR 90 Ca 0.04 1.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.98 2qs1 s THR 90 Cb -0.17 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2qs1 s THR 90 CO 0.05 0.15 1.51 -0.63 -0.69 0.00 0.00 174.62 175.01 2qs1 s ILE 91 N 0.44 3.84 0.12 1.82 1.01 0.00 -4.88 121.20 123.55 2qs1 s ILE 91 Ca 0.57 0.94 0.05 0.00 0.00 0.00 0.00 60.65 62.21 2qs1 s ILE 91 Cb -0.33 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2qs1 s ILE 91 CO 0.34 -0.40 -0.11 0.42 0.00 0.00 0.00 174.94 175.19 2qs1 s THR 92 N 5.04 1.15 0.16 2.92 -4.23 -1.26 -4.67 115.64 114.75 2qs1 s THR 92 Ca 0.66 -1.83 -0.19 0.00 -1.18 0.00 0.00 61.69 59.15 2qs1 s THR 92 Cb -0.21 -1.60 0.06 0.00 1.34 0.00 0.00 72.50 72.09 2qs1 s THR 92 CO 0.28 -0.59 1.66 0.22 -0.54 0.00 0.00 174.62 175.64 2qs1 h TYR 93 N 3.24 -0.36 -0.75 3.99 3.20 -1.99 -1.08 116.97 123.22 2qs1 h TYR 93 Ca -0.38 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.49 2qs1 h TYR 93 Cb 1.19 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.64 2qs1 h TYR 93 CO 0.65 -0.22 0.32 -0.24 -1.64 0.00 0.00 178.16 177.03 2qs1 h VAL 94 N -0.10 1.25 -0.26 1.81 3.04 -2.00 -2.71 116.25 117.28 2qs1 h VAL 94 Ca 0.16 -0.75 -0.13 0.00 -1.01 0.00 0.00 66.70 64.97 2qs1 h VAL 94 Cb 0.35 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 29.96 2qs1 h VAL 94 CO -0.38 0.31 -0.37 0.03 -1.01 0.00 0.00 177.57 176.15 2qs1 h ARG 95 N 1.07 0.60 0.00 4.17 3.08 -1.88 -2.76 114.38 118.66 2qs1 h ARG 95 Ca 0.25 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2qs1 h ARG 95 Cb 0.18 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2qs1 h ARG 95 CO -0.03 0.87 0.00 0.93 -1.07 0.00 0.00 179.97 180.68 2qs1 h GLU 96 N 0.50 0.00 0.00 0.04 4.39 -0.88 -0.36 114.58 118.27 2qs1 h GLU 96 Ca 0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2qs1 h GLU 96 Cb 0.87 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2qs1 h GLU 96 CO 0.07 0.00 -0.16 0.87 -1.16 0.00 0.00 179.01 178.64 2qs1 h LYS 97 N 0.00 0.00 0.00 2.33 1.57 -1.32 -3.37 116.57 115.78 2qs1 h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qs1 h LYS 97 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2qs1 h LYS 97 CO 0.00 0.16 -0.55 1.33 -0.57 0.00 0.00 179.45 179.81 2qs1 n VAL 98 N -3.78 0.00 -4.15 0.50 0.24 -0.29 -5.07 118.33 105.77 2qs1 n VAL 98 Ca -0.02 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.10 2qs1 n VAL 98 Cb 0.26 0.51 -0.10 0.00 -1.47 0.00 0.00 33.84 33.04 2qs1 n VAL 98 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2qs1 s ILE 99 N -1.27 0.10 0.30 1.34 -4.36 -0.33 -4.40 121.20 112.58 2qs1 s ILE 99 Ca 0.00 -1.91 0.06 0.00 -0.26 0.00 0.00 60.65 58.54 2qs1 s ILE 99 Cb 0.00 -2.07 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 2qs1 s ILE 99 CO 0.00 -0.44 0.39 -1.81 0.24 0.00 0.00 174.94 173.32 2qs1 s ASP 100 N -3.05 5.89 0.00 4.36 1.01 0.04 -4.14 116.67 120.78 2qs1 s ASP 100 Ca 0.25 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.33 2qs1 s ASP 100 Cb 0.07 -1.35 -0.01 0.00 1.01 0.00 0.00 42.92 42.65 2qs1 s ASP 100 CO 0.02 -0.29 -0.03 -0.36 0.21 0.00 0.00 175.17 174.72 2qs1 s PHE 101 N -2.15 0.29 0.99 4.23 0.40 -1.26 -0.85 117.98 119.63 2qs1 s PHE 101 Ca 0.40 -0.11 -0.11 0.00 -0.60 0.00 0.00 56.93 56.51 2qs1 s PHE 101 Cb -0.09 -0.19 0.19 0.00 0.51 0.00 0.00 43.02 43.45 2qs1 s PHE 101 CO 0.29 -0.02 1.11 -1.54 0.70 0.00 0.00 175.22 175.76 2qs1 s SER 102 N -0.27 2.32 0.81 1.36 1.04 0.10 -4.93 113.70 114.12 2qs1 s SER 102 Ca -0.01 1.99 -0.13 0.00 0.48 0.00 0.00 55.95 58.28 2qs1 s SER 102 Cb -0.02 -2.49 0.08 0.00 0.10 0.00 0.00 66.02 63.68 2qs1 s SER 102 CO -0.00 -3.45 1.16 0.29 0.98 0.00 0.00 173.24 172.22 2qs1 n LYS 103 N -4.45 0.18 -2.17 4.02 5.02 -1.26 -4.37 118.16 115.13 2qs1 n LYS 103 Ca 0.09 0.14 -0.40 0.00 -2.02 0.00 0.00 58.31 56.12 2qs1 n LYS 103 Cb 0.53 -2.40 -0.02 0.00 -0.02 0.00 0.00 35.03 33.12 2qs1 n LYS 103 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qs1 s PRO 104 N -4.04 4.19 0.02 1.97 0.04 -1.26 -4.58 135.00 131.33 2qs1 s PRO 104 Ca 0.73 2.06 0.24 0.00 0.04 0.00 0.00 61.00 64.07 2qs1 s PRO 104 Cb -0.29 -2.89 0.29 0.00 0.04 0.00 0.00 34.50 31.66 2qs1 s PRO 104 CO 0.51 -0.28 1.26 1.97 0.04 0.00 0.00 177.00 180.50 2qs1 n PHE 105 N 0.45 0.09 -3.72 0.56 1.16 -0.23 -4.88 117.46 110.88 2qs1 n PHE 105 Ca 0.02 0.03 -0.12 0.00 -1.87 0.00 0.00 57.45 55.50 2qs1 n PHE 105 Cb 0.44 -0.27 -0.10 0.00 -1.61 0.00 0.00 39.48 37.93 2qs1 n PHE 105 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2qs1 s MET 106 N -3.05 0.47 0.17 3.97 0.00 -1.24 -5.03 119.30 114.60 2qs1 s MET 106 Ca 0.09 0.65 0.10 0.00 0.00 0.00 0.00 55.69 56.53 2qs1 s MET 106 Cb 0.16 0.17 -0.04 0.00 0.00 0.00 0.00 34.83 35.12 2qs1 s MET 106 CO 0.75 -0.09 -0.20 0.95 0.00 0.00 0.00 175.02 176.43 2qs1 s THR 107 N 0.55 2.61 0.15 10.11 -4.23 -1.26 -1.05 115.64 122.52 2qs1 s THR 107 Ca -0.03 -1.83 -0.10 0.00 -1.18 0.00 0.00 61.69 58.56 2qs1 s THR 107 Cb -0.04 -2.24 0.04 0.00 1.34 0.00 0.00 72.50 71.59 2qs1 s THR 107 CO -0.03 -0.06 0.49 0.00 -0.54 0.00 0.00 174.62 174.48 2qs1 n LEU 108 N 0.38 0.00 -3.64 4.79 -0.00 0.15 -4.96 117.00 113.71 2qs1 n LEU 108 Ca -0.13 -1.08 -0.03 0.00 -0.00 0.00 0.00 56.01 54.77 2qs1 n LEU 108 Cb 0.55 1.77 -0.01 0.00 -0.00 0.00 0.00 43.42 45.73 2qs1 n LEU 108 CO 0.30 -0.36 0.86 -0.83 -0.00 0.00 0.00 177.39 177.36 2qs1 s GLY 109 N -2.41 -0.34 0.27 1.47 0.00 -1.26 -1.68 107.32 103.37 2qs1 s GLY 109 Ca 0.10 0.68 -0.30 0.00 0.00 0.00 0.00 44.72 45.21 2qs1 s GLY 109 CO 0.05 0.18 1.44 -0.42 0.00 0.00 0.00 173.10 174.34 2qs1 s ILE 110 N -2.86 2.59 0.06 0.90 1.01 -1.26 -0.19 121.20 121.46 2qs1 s ILE 110 Ca 0.11 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.28 2qs1 s ILE 110 Cb 0.01 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 2qs1 s ILE 110 CO -0.03 0.09 0.07 -0.24 0.00 0.00 0.00 174.94 174.83 2qs1 n SER 111 N 2.09 -0.19 -4.41 3.58 2.88 -0.69 0.11 113.62 116.97 2qs1 n SER 111 Ca 0.06 -1.39 -0.33 0.00 -1.33 0.00 0.00 58.87 55.88 2qs1 n SER 111 Cb 0.40 0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 64.12 2qs1 n SER 111 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2qs1 s ILE 112 N -2.37 3.16 -0.31 2.46 1.01 -1.22 -2.57 121.20 121.35 2qs1 s ILE 112 Ca 0.07 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 2qs1 s ILE 112 Cb 0.00 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.16 2qs1 s ILE 112 CO 0.05 0.54 0.13 -0.22 0.00 0.00 0.00 174.94 175.44 2qs1 s LEU 113 N 0.10 4.02 0.29 2.97 2.96 0.14 -0.68 118.68 128.49 2qs1 s LEU 113 Ca -0.05 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.21 2qs1 s LEU 113 Cb -0.15 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2qs1 s LEU 113 CO 0.04 -0.19 0.48 -0.47 -1.32 0.00 0.00 176.35 174.89 2qs1 s TYR 114 N 1.58 0.68 0.67 5.38 5.04 -0.77 -1.04 117.35 128.89 2qs1 s TYR 114 Ca 0.04 -1.00 -0.14 0.00 -2.44 0.00 0.00 57.07 53.53 2qs1 s TYR 114 Cb -0.17 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.23 2qs1 s TYR 114 CO 0.05 -1.07 1.09 1.03 -1.34 0.00 0.00 175.55 175.31 2qs1 s ARG 115 N -3.51 2.81 0.49 4.97 0.52 -1.26 -0.45 118.95 122.53 2qs1 s ARG 115 Ca 0.26 1.27 -0.19 0.00 -0.52 0.00 0.00 55.73 56.55 2qs1 s ARG 115 Cb -0.00 -1.96 -0.08 0.00 0.52 0.00 0.00 34.95 33.42 2qs1 s ARG 115 CO 0.14 -1.22 1.01 0.15 0.02 0.00 0.00 175.30 175.39 2qs1 s LYS 116 N -4.34 3.86 0.00 3.54 1.02 -0.94 -4.50 119.74 118.38 2qs1 s LYS 116 Ca 0.64 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.85 2qs1 s LYS 116 Cb -0.18 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 2qs1 s LYS 116 CO 0.45 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 2qs1 n GLY 117 N -0.66 0.83 3.39 -3.33 0.00 -1.26 -5.07 105.19 99.08 2qs1 n GLY 117 Ca 0.08 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 2qs1 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qs1 s THR 118 N -2.53 2.15 -0.46 2.61 -4.23 -1.26 -5.03 115.64 106.89 2qs1 s THR 118 Ca 0.00 -1.98 0.18 0.00 -1.18 0.00 0.00 61.69 58.71 2qs1 s THR 118 Cb 0.00 -2.01 0.19 0.00 1.34 0.00 0.00 72.50 72.02 2qs1 s THR 118 CO 0.00 -0.18 1.56 -0.81 -0.54 0.00 0.00 174.62 174.65 2qs1 n PRO 119 N 0.30 0.12 -2.08 3.99 -0.04 -1.26 -4.77 135.00 131.26 2qs1 n PRO 119 Ca -0.13 0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 63.44 2qs1 n PRO 119 Cb 0.56 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 2qs1 n PRO 119 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2qs1 s ILE 120 N -3.36 3.03 0.00 0.52 1.01 -1.26 -4.89 121.20 116.25 2qs1 s ILE 120 Ca 0.01 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.40 2qs1 s ILE 120 Cb 0.06 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 39.06 2qs1 s ILE 120 CO 0.23 0.06 0.13 -0.67 0.00 0.00 0.00 174.94 174.69 2qs1 n ASP 121 N 3.88 0.26 -3.66 3.58 2.03 -1.26 -4.89 116.55 116.49 2qs1 n ASP 121 Ca 0.12 -1.00 -0.04 0.00 0.52 0.00 0.00 54.79 54.39 2qs1 n ASP 121 Cb 0.41 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.80 2qs1 n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2qs1 s SER 122 N -0.00 -0.14 0.40 1.67 1.04 -1.26 -3.34 113.70 112.07 2qs1 s SER 122 Ca 0.00 -0.49 0.19 0.00 0.48 0.00 0.00 55.95 56.13 2qs1 s SER 122 Cb 0.00 0.52 0.85 0.00 0.10 0.00 0.00 66.02 67.48 2qs1 s SER 122 CO 0.00 -0.97 1.82 0.00 0.98 0.00 0.00 173.24 175.07 2qs1 h ALA 123 N 2.00 1.14 0.00 5.32 0.00 -1.97 -2.84 119.26 122.91 2qs1 h ALA 123 Ca -0.25 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2qs1 h ALA 123 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2qs1 h ALA 123 CO 0.28 0.40 -0.28 -0.44 0.00 0.00 0.00 179.25 179.21 2qs1 h ASP 124 N 0.00 0.00 -0.15 0.00 3.45 -1.95 0.35 116.42 118.12 2qs1 h ASP 124 Ca -0.00 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.27 2qs1 h ASP 124 Cb 0.73 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.51 2qs1 h ASP 124 CO 0.04 0.28 -0.64 0.44 -1.57 0.00 0.00 179.24 177.80 2qs1 h ASP 125 N 0.00 0.83 -0.22 6.45 3.32 -1.90 -3.13 116.42 121.76 2qs1 h ASP 125 Ca -0.00 -0.62 -0.11 0.00 0.02 0.00 0.00 57.03 56.32 2qs1 h ASP 125 Cb 0.53 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2qs1 h ASP 125 CO 0.04 1.31 -0.24 -0.07 -1.72 0.00 0.00 179.24 178.56 2qs1 h LEU 126 N 0.40 0.70 0.45 1.55 3.38 -1.40 -3.11 115.31 117.28 2qs1 h LEU 126 Ca -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2qs1 h LEU 126 Cb 1.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2qs1 h LEU 126 CO 0.13 0.92 -0.22 0.00 0.09 0.00 0.00 178.44 179.37 2qs1 h ALA 127 N 1.13 -0.61 0.00 1.53 0.00 -1.00 -3.22 119.26 117.11 2qs1 h ALA 127 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qs1 h ALA 127 Cb 0.72 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qs1 h ALA 127 CO 0.06 -0.76 0.00 1.57 0.00 0.00 0.00 179.25 180.11 2qs1 h LYS 128 N -0.76 0.00 -6.68 0.00 2.10 -1.64 -3.44 116.57 106.15 2qs1 h LYS 128 Ca -0.06 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.14 2qs1 h LYS 128 Cb 0.54 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.90 2qs1 h LYS 128 CO 0.10 0.00 -0.12 1.14 -2.00 0.00 0.00 179.45 178.58 2qs1 s GLN 129 N -3.41 2.85 0.00 0.07 1.03 -1.17 -5.06 119.66 113.96 2qs1 s GLN 129 Ca 0.04 -0.73 0.00 0.00 0.04 0.00 0.00 55.36 54.71 2qs1 s GLN 129 Cb 0.09 -2.58 0.00 0.00 0.03 0.00 0.00 33.01 30.55 2qs1 s GLN 129 CO 0.54 -0.40 0.00 -2.37 -2.54 0.00 0.00 175.29 170.51 2qs1 n THR 130 N -2.11 0.00 0.16 3.63 5.66 -1.26 -4.85 114.28 115.50 2qs1 n THR 130 Ca 0.04 -0.01 0.03 0.00 -3.05 0.00 0.00 64.05 61.07 2qs1 n THR 130 Cb 0.59 0.23 0.18 0.00 -1.55 0.00 0.00 70.33 69.78 2qs1 n THR 130 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2qs1 h LYS 131 N 0.00 0.00 -5.17 1.09 2.10 -1.97 -3.42 116.57 109.21 2qs1 h LYS 131 Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 2qs1 h LYS 131 Cb 0.00 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.19 2qs1 h LYS 131 CO 0.00 0.48 -0.27 0.42 -2.00 0.00 0.00 179.45 178.08 2qs1 s ILE 132 N -3.30 5.20 0.32 0.07 1.01 -1.26 -5.04 121.20 118.19 2qs1 s ILE 132 Ca 0.01 0.53 -0.27 0.00 0.00 0.00 0.00 60.65 60.93 2qs1 s ILE 132 Cb 0.10 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.80 2qs1 s ILE 132 CO 0.72 0.19 1.00 -0.70 0.00 0.00 0.00 174.94 176.15 2qs1 s GLU 133 N 1.87 4.53 -0.10 2.79 2.56 -1.08 -4.93 118.70 124.35 2qs1 s GLU 133 Ca 0.14 1.49 -0.14 0.00 0.00 0.00 0.00 54.97 56.46 2qs1 s GLU 133 Cb -0.15 -2.88 0.03 0.00 2.00 0.00 0.00 34.13 33.12 2qs1 s GLU 133 CO 0.09 0.20 0.36 1.52 -0.56 0.00 0.00 175.26 176.88 2qs1 s TYR 134 N -1.47 -0.34 0.00 5.30 -0.85 -1.26 -0.72 117.35 118.01 2qs1 s TYR 134 Ca 0.50 0.77 0.00 0.00 -0.52 0.00 0.00 57.07 57.81 2qs1 s TYR 134 Cb -0.23 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.24 2qs1 s TYR 134 CO 0.29 -0.27 0.00 0.41 -1.52 0.00 0.00 175.55 174.46 2qs1 n GLY 135 N 2.31 2.25 3.45 5.49 0.00 -1.06 -4.68 105.19 112.94 2qs1 n GLY 135 Ca -0.16 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 2qs1 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qs1 n ALA 136 N -3.00 -0.58 -1.85 4.61 0.00 -1.25 -1.23 120.51 117.20 2qs1 n ALA 136 Ca 0.00 -1.57 -0.40 0.00 0.00 0.00 0.00 53.44 51.47 2qs1 n ALA 136 Cb 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 19.45 20.66 2qs1 n ALA 136 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qs1 s VAL 137 N -2.70 3.82 0.29 0.00 1.01 -1.26 -0.88 120.40 120.69 2qs1 s VAL 137 Ca 0.27 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 2qs1 s VAL 137 Cb -0.02 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 2qs1 s VAL 137 CO 0.19 0.39 1.48 -0.60 0.00 0.00 0.00 175.10 176.56 2qs1 s ARG 138 N -1.04 4.21 -1.67 2.72 3.52 0.20 -2.90 118.95 123.99 2qs1 s ARG 138 Ca 0.44 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.46 2qs1 s ARG 138 Cb -0.29 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 2qs1 s ARG 138 CO 0.36 -0.47 0.00 -0.25 -0.81 0.00 0.00 175.30 174.13 2qs1 n ASP 139 N 1.81 -4.34 -4.53 -2.12 8.00 -1.26 -4.96 116.55 109.16 2qs1 n ASP 139 Ca 0.05 0.39 -0.25 0.00 0.71 0.00 0.00 54.79 55.69 2qs1 n ASP 139 Cb 0.39 -3.88 0.13 0.00 -0.02 0.00 0.00 41.12 37.75 2qs1 n ASP 139 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2qs1 s GLY 140 N -2.36 1.76 0.16 0.44 0.00 -1.14 -4.90 107.32 101.28 2qs1 s GLY 140 Ca 0.00 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 42.85 2qs1 s GLY 140 CO 0.00 -1.08 1.82 1.48 0.00 0.00 0.00 173.10 175.33 2qs1 h SER 141 N -0.79 0.50 -0.59 1.64 4.64 -1.93 -1.81 113.55 115.21 2qs1 h SER 141 Ca -0.37 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 2qs1 h SER 141 Cb 1.26 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2qs1 h SER 141 CO 0.37 0.36 0.00 0.74 -0.87 0.00 0.00 176.83 177.44 2qs1 h THR 142 N 0.60 1.27 -0.22 2.95 2.02 -1.91 -1.70 112.91 115.92 2qs1 h THR 142 Ca 0.16 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 2qs1 h THR 142 Cb -0.07 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2qs1 h THR 142 CO -0.04 0.41 0.11 -0.03 0.37 0.00 0.00 175.52 176.35 2qs1 h MET 143 N 0.93 0.31 -0.19 6.66 -1.53 -1.74 -2.58 114.93 116.80 2qs1 h MET 143 Ca 0.17 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.38 2qs1 h MET 143 Cb 0.55 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.54 2qs1 h MET 143 CO 0.03 0.31 0.08 1.15 0.14 0.00 0.00 176.91 178.61 2qs1 h THR 144 N 0.23 1.08 0.31 -0.77 2.02 -1.09 0.03 112.91 114.72 2qs1 h THR 144 Ca 0.07 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2qs1 h THR 144 Cb 0.09 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2qs1 h THR 144 CO -0.01 0.09 -0.15 0.15 0.37 0.00 0.00 175.52 175.97 2qs1 h PHE 145 N 0.26 -0.38 -0.33 3.16 3.57 -1.15 -2.63 116.94 119.44 2qs1 h PHE 145 Ca 0.07 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2qs1 h PHE 145 Cb 0.05 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2qs1 h PHE 145 CO 0.00 -0.11 0.02 0.74 -2.23 0.00 0.00 178.31 176.73 2qs1 h PHE 146 N -0.62 0.50 -0.14 0.41 -1.00 -1.00 -0.82 116.94 114.27 2qs1 h PHE 146 Ca -0.04 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.60 2qs1 h PHE 146 Cb 0.44 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 2qs1 h PHE 146 CO -0.00 0.49 -0.32 -0.22 -1.61 0.00 0.00 178.31 176.64 2qs1 h LYS 147 N 0.48 0.27 0.00 1.51 3.64 -1.03 -3.18 116.57 118.26 2qs1 h LYS 147 Ca 0.11 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qs1 h LYS 147 Cb 0.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2qs1 h LYS 147 CO 0.01 0.57 -1.14 1.63 -2.27 0.00 0.00 179.45 178.24 2qs1 n LYS 148 N -4.10 0.44 -1.94 1.90 5.02 -0.89 -5.00 118.16 113.60 2qs1 n LYS 148 Ca -0.01 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2qs1 n LYS 148 Cb 0.42 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.79 2qs1 n LYS 148 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qs1 s SER 149 N -4.46 5.82 0.00 4.39 0.15 -0.36 -4.95 113.70 114.28 2qs1 s SER 149 Ca 0.01 2.69 0.01 0.00 0.70 0.00 0.00 55.95 59.36 2qs1 s SER 149 Cb 0.13 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2qs1 s SER 149 CO 0.81 -1.19 0.90 0.29 1.20 0.00 0.00 173.24 175.25 2qs1 n LYS 150 N -0.46 2.08 -2.54 5.44 4.76 -1.26 -4.70 118.16 121.48 2qs1 n LYS 150 Ca 0.07 -1.30 -0.41 0.00 -2.87 0.00 0.00 58.31 53.80 2qs1 n LYS 150 Cb 0.44 -1.01 -0.04 0.00 -1.84 0.00 0.00 35.03 32.58 2qs1 n LYS 150 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2qs1 s ILE 151 N -0.78 4.03 0.17 -0.18 1.01 -1.26 -4.94 121.20 119.24 2qs1 s ILE 151 Ca 0.01 1.67 -0.26 0.00 0.00 0.00 0.00 60.65 62.06 2qs1 s ILE 151 Cb 0.01 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.43 2qs1 s ILE 151 CO 0.01 0.25 1.56 -1.28 0.00 0.00 0.00 174.94 175.48 2qs1 h SER 152 N 5.53 -1.58 0.46 3.58 0.87 -2.00 -1.44 113.55 118.98 2qs1 h SER 152 Ca -0.44 0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.27 2qs1 h SER 152 Cb 1.21 0.71 -0.01 0.00 -0.44 0.00 0.00 62.40 63.87 2qs1 h SER 152 CO 0.74 -0.34 -0.50 0.00 -0.53 0.00 0.00 176.83 176.20 2qs1 h THR 153 N -0.23 1.36 0.00 2.23 1.03 -2.00 -3.00 112.91 112.29 2qs1 h THR 153 Ca 0.17 -1.72 -0.02 0.00 -0.01 0.00 0.00 66.41 64.83 2qs1 h THR 153 Cb 0.56 1.91 -0.00 0.00 -1.07 0.00 0.00 68.15 69.54 2qs1 h THR 153 CO -0.70 0.50 -0.54 1.88 -0.01 0.00 0.00 175.52 176.64 2qs1 h TYR 154 N 0.04 0.00 -0.40 0.00 0.99 -1.86 -2.52 116.97 113.23 2qs1 h TYR 154 Ca -0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.57 2qs1 h TYR 154 Cb 0.90 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.62 2qs1 h TYR 154 CO 0.00 0.09 -0.35 0.93 -0.00 0.00 0.00 178.16 178.83 2qs1 h GLU 155 N 0.00 0.94 -0.02 4.88 5.08 -1.18 -1.20 114.58 123.09 2qs1 h GLU 155 Ca -0.01 -0.48 -0.12 0.00 -1.00 0.00 0.00 59.36 57.74 2qs1 h GLU 155 Cb 1.08 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2qs1 h GLU 155 CO 0.01 1.14 -0.57 -0.22 -1.00 0.00 0.00 179.01 178.37 2qs1 h LYS 156 N 0.76 0.06 -0.18 2.33 3.64 -1.54 -2.30 116.57 119.35 2qs1 h LYS 156 Ca 0.07 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 2qs1 h LYS 156 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2qs1 h LYS 156 CO 0.09 0.61 -0.65 0.52 -2.27 0.00 0.00 179.45 177.75 2qs1 h MET 157 N 0.04 0.66 -0.39 1.90 2.86 -1.38 -3.09 114.93 115.55 2qs1 h MET 157 Ca -0.00 -0.48 -0.11 0.00 -2.06 0.00 0.00 59.70 57.05 2qs1 h MET 157 Cb 1.02 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2qs1 h MET 157 CO 0.08 1.10 -0.20 2.35 1.06 0.00 0.00 176.91 181.30 2qs1 h TRP 158 N 0.48 0.84 -0.50 -0.22 -0.00 -1.09 -2.29 115.95 113.17 2qs1 h TRP 158 Ca -0.02 -0.18 0.06 0.00 -0.00 0.00 0.00 58.89 58.76 2qs1 h TRP 158 Cb 1.24 -0.21 -0.05 0.00 -0.00 0.00 0.00 29.16 30.14 2qs1 h TRP 158 CO 0.06 0.88 0.20 0.00 -0.00 0.00 0.00 178.44 179.58 2qs1 h ALA 159 N 1.12 0.62 -0.44 2.65 0.00 -1.43 0.75 119.26 122.53 2qs1 h ALA 159 Ca 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2qs1 h ALA 159 Cb 0.69 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2qs1 h ALA 159 CO 0.05 -0.19 0.07 0.35 0.00 0.00 0.00 179.25 179.54 2qs1 h PHE 160 N 0.39 0.70 -0.08 0.00 3.57 -1.42 -0.55 116.94 119.55 2qs1 h PHE 160 Ca 0.24 -0.06 -0.22 0.00 3.53 0.00 0.00 57.97 61.45 2qs1 h PHE 160 Cb 0.23 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.77 2qs1 h PHE 160 CO -0.15 0.62 -0.85 0.52 -2.23 0.00 0.00 178.31 176.23 2qs1 h MET 161 N 0.65 0.62 0.11 1.11 2.86 -0.79 -3.11 114.93 116.38 2qs1 h MET 161 Ca 0.14 -0.56 -0.36 0.00 -2.06 0.00 0.00 59.70 56.87 2qs1 h MET 161 Cb 0.30 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2qs1 h MET 161 CO 0.00 1.18 -2.00 -1.13 1.06 0.00 0.00 176.91 176.02 2qs1 n SER 162 N -3.86 2.10 0.03 1.22 3.41 0.19 -2.55 113.62 114.15 2qs1 n SER 162 Ca -0.07 0.20 -0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2qs1 n SER 162 Cb 0.78 -0.83 0.13 0.00 -0.26 0.00 0.00 64.21 64.02 2qs1 n SER 162 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2qs1 h SER 163 N -0.02 0.48 -1.67 4.04 0.02 -1.28 -2.82 113.55 112.31 2qs1 h SER 163 Ca -0.44 -0.22 -0.67 0.00 -0.84 0.00 0.00 61.79 59.62 2qs1 h SER 163 Cb 1.97 -0.13 -0.35 0.00 0.14 0.00 0.00 62.40 64.02 2qs1 h SER 163 CO 0.05 0.87 0.08 -1.14 -1.14 0.00 0.00 176.83 175.55 2qs1 n ARG 164 N -4.00 3.13 -0.22 3.45 3.00 -1.17 -4.87 116.66 115.97 2qs1 n ARG 164 Ca -0.02 -4.03 0.00 0.00 -0.00 0.00 0.00 57.85 53.80 2qs1 n ARG 164 Cb 0.53 -2.26 0.12 0.00 0.00 0.00 0.00 32.46 30.85 2qs1 n ARG 164 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2qs1 h GLN 165 N 2.72 0.48 -0.04 -0.14 -0.00 -1.23 -2.82 115.11 114.08 2qs1 h GLN 165 Ca 0.43 -0.03 0.04 0.00 -0.00 0.00 0.00 58.65 59.08 2qs1 h GLN 165 Cb 0.57 -0.11 -0.05 0.00 0.00 0.00 0.00 27.48 27.89 2qs1 h GLN 165 CO 1.12 0.32 -0.25 -0.56 0.00 0.00 0.00 178.83 179.47 2qs1 h GLN 166 N 0.50 -0.35 -0.50 1.69 -0.00 -1.88 -1.57 115.11 113.00 2qs1 h GLN 166 Ca 0.32 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.99 2qs1 h GLN 166 Cb 0.36 0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.92 2qs1 h GLN 166 CO -0.28 -0.23 0.00 -1.13 -0.00 0.00 0.00 178.83 177.19 2qs1 n SER 167 N -5.37 2.86 -0.04 0.06 3.41 -1.19 -4.41 113.62 108.94 2qs1 n SER 167 Ca -0.04 -1.97 -0.08 0.00 -0.26 0.00 0.00 58.87 56.51 2qs1 n SER 167 Cb 0.28 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 2qs1 n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qs1 n ALA 168 N 1.07 2.29 -2.27 7.33 0.00 -1.07 -4.87 120.51 122.98 2qs1 n ALA 168 Ca 0.18 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 2qs1 n ALA 168 Cb 0.46 0.37 -0.06 0.00 0.00 0.00 0.00 19.45 20.23 2qs1 n ALA 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qs1 s LEU 169 N -6.19 4.09 0.38 0.00 1.43 -0.61 -3.74 118.68 114.04 2qs1 s LEU 169 Ca -0.12 1.10 0.06 0.00 -1.03 0.00 0.00 54.13 54.14 2qs1 s LEU 169 Cb 0.04 -3.89 -0.07 0.00 0.03 0.00 0.00 46.19 42.29 2qs1 s LEU 169 CO 0.16 -0.16 0.03 0.68 0.23 0.00 0.00 176.35 177.28 2qs1 s VAL 170 N -1.94 1.74 -0.01 -1.59 -7.23 -0.06 -4.87 120.40 106.44 2qs1 s VAL 170 Ca 0.51 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 2qs1 s VAL 170 Cb -0.11 -2.94 -0.34 0.00 0.56 0.00 0.00 36.38 33.56 2qs1 s VAL 170 CO 0.20 -0.00 0.91 0.50 -0.31 0.00 0.00 175.10 176.40 2qs1 h LYS 171 N 1.88 0.44 -3.77 4.82 3.64 -1.95 0.59 116.57 122.21 2qs1 h LYS 171 Ca -0.43 -0.74 -0.16 0.00 -1.27 0.00 0.00 60.65 58.05 2qs1 h LYS 171 Cb 1.24 0.28 -0.07 0.00 -0.41 0.00 0.00 32.23 33.27 2qs1 h LYS 171 CO 0.77 1.36 -0.09 0.54 -2.27 0.00 0.00 179.45 179.76 2qs1 s ASN 172 N -7.33 0.42 0.18 4.20 2.20 -1.26 -4.53 114.94 108.82 2qs1 s ASN 172 Ca -0.12 -1.24 -0.14 0.00 -0.94 0.00 0.00 52.86 50.42 2qs1 s ASN 172 Cb 0.03 0.67 0.16 0.00 -2.00 0.00 0.00 41.25 40.11 2qs1 s ASN 172 CO 0.89 -1.31 1.69 0.28 -2.94 0.00 0.00 177.10 175.71 2qs1 h SER 173 N 2.14 -0.19 -0.51 3.54 0.02 -2.00 -2.15 113.55 114.40 2qs1 h SER 173 Ca -0.28 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 60.83 2qs1 h SER 173 Cb 1.25 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.93 2qs1 h SER 173 CO 0.38 -0.06 0.24 0.44 -1.14 0.00 0.00 176.83 176.69 2qs1 h ASP 174 N 0.11 0.32 -0.02 3.07 3.32 -2.00 -2.10 116.42 119.12 2qs1 h ASP 174 Ca 0.23 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 2qs1 h ASP 174 Cb 0.34 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2qs1 h ASP 174 CO -0.39 0.22 -0.30 -0.08 -1.72 0.00 0.00 179.24 176.97 2qs1 h GLU 175 N 0.46 0.47 -0.12 3.56 4.81 -1.93 -2.42 114.58 119.41 2qs1 h GLU 175 Ca 0.23 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2qs1 h GLU 175 Cb 0.17 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2qs1 h GLU 175 CO -0.18 0.73 0.04 0.78 -0.73 0.00 0.00 179.01 179.64 2qs1 h GLY 176 N 1.05 0.21 1.44 1.92 0.00 -0.86 -2.27 103.07 104.56 2qs1 h GLY 176 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 2qs1 h GLY 176 CO 0.06 0.12 -0.06 -2.22 0.00 0.00 0.00 176.54 174.44 2qs1 h ILE 177 N 0.01 1.24 -0.97 2.60 2.04 -1.43 -2.60 117.51 118.40 2qs1 h ILE 177 Ca 0.04 -1.02 0.08 0.00 1.00 0.00 0.00 64.86 64.96 2qs1 h ILE 177 Cb 0.23 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2qs1 h ILE 177 CO -0.00 0.35 0.61 -0.61 0.00 0.00 0.00 178.15 178.50 2qs1 h GLN 178 N 0.63 1.05 0.00 2.37 5.75 -1.25 -2.50 115.11 121.15 2qs1 h GLN 178 Ca 0.12 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.39 2qs1 h GLN 178 Cb 0.48 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 2qs1 h GLN 178 CO 0.02 0.69 -0.77 0.00 -2.65 0.00 0.00 178.83 176.13 2qs1 h ARG 179 N 1.08 0.00 -0.43 1.69 3.08 -1.05 -2.33 114.38 116.42 2qs1 h ARG 179 Ca 0.43 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.38 2qs1 h ARG 179 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2qs1 h ARG 179 CO -0.20 0.77 -0.12 0.28 -1.07 0.00 0.00 179.97 179.63 2qs1 h VAL 180 N 0.00 1.27 0.23 2.04 2.07 -1.16 -1.20 116.25 119.51 2qs1 h VAL 180 Ca -0.01 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 2qs1 h VAL 180 Cb 1.41 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2qs1 h VAL 180 CO 0.10 0.42 -0.11 -0.07 0.02 0.00 0.00 177.57 177.93 2qs1 h LEU 181 N 0.67 -0.26 0.08 2.57 3.38 -1.49 -3.39 115.31 116.87 2qs1 h LEU 181 Ca 0.11 -0.27 -0.26 0.00 0.09 0.00 0.00 57.88 57.55 2qs1 h LEU 181 Cb 0.67 0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.51 2qs1 h LEU 181 CO 0.05 0.20 -1.06 0.71 0.09 0.00 0.00 178.44 178.42 2qs1 h THR 182 N -0.79 1.32 -1.57 0.22 1.35 -1.50 -3.47 112.91 108.47 2qs1 h THR 182 Ca -0.03 -2.35 -0.58 0.00 -0.55 0.00 0.00 66.41 62.90 2qs1 h THR 182 Cb 0.51 2.65 -0.09 0.00 -1.73 0.00 0.00 68.15 69.49 2qs1 h THR 182 CO 0.05 0.71 -0.51 0.42 -0.25 0.00 0.00 175.52 175.94 2qs1 s THR 183 N -3.05 2.24 -1.36 6.82 -4.23 -0.45 -5.04 115.64 110.57 2qs1 s THR 183 Ca -0.11 -1.74 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 2qs1 s THR 183 Cb 0.05 -2.98 0.06 0.00 1.34 0.00 0.00 72.50 70.97 2qs1 s THR 183 CO 0.90 0.00 1.92 -0.67 -0.54 0.00 0.00 174.62 176.23 2qs1 n ASP 184 N -1.21 4.54 -4.03 3.99 2.03 -1.26 -4.37 116.55 116.23 2qs1 n ASP 184 Ca -0.02 -2.89 -0.17 0.00 0.52 0.00 0.00 54.79 52.23 2qs1 n ASP 184 Cb 0.65 -1.72 -0.14 0.00 -0.72 0.00 0.00 41.12 39.19 2qs1 n ASP 184 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2qs1 s TYR 185 N 3.89 0.78 -0.12 -0.67 5.04 -1.26 -2.62 117.35 122.39 2qs1 s TYR 185 Ca 0.52 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.93 2qs1 s TYR 185 Cb 0.08 -0.49 -0.01 0.00 0.35 0.00 0.00 41.96 41.89 2qs1 s TYR 185 CO 0.02 -0.02 -0.15 0.00 -1.34 0.00 0.00 175.55 174.06 2qs1 s ALA 186 N -0.47 2.52 -0.18 3.97 0.00 0.10 -4.28 121.76 123.43 2qs1 s ALA 186 Ca 0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 2qs1 s ALA 186 Cb -0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2qs1 s ALA 186 CO 0.00 0.25 0.09 -1.17 0.00 0.00 0.00 175.76 174.94 2qs1 s LEU 187 N 0.36 4.03 -0.27 0.00 2.96 -0.21 -2.57 118.68 122.98 2qs1 s LEU 187 Ca -0.13 0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.87 2qs1 s LEU 187 Cb -0.16 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 2qs1 s LEU 187 CO 0.06 0.22 0.18 -0.76 -1.32 0.00 0.00 176.35 174.73 2qs1 s LEU 188 N 0.13 3.99 0.37 -0.68 2.01 -0.36 0.26 118.68 124.40 2qs1 s LEU 188 Ca 0.07 -0.01 -0.16 0.00 0.01 0.00 0.00 54.13 54.04 2qs1 s LEU 188 Cb -0.12 -2.11 0.06 0.00 0.01 0.00 0.00 46.19 44.04 2qs1 s LEU 188 CO -0.00 -0.04 0.83 0.00 1.01 0.00 0.00 176.35 178.15 2qs1 s MET 189 N 1.69 2.17 0.21 1.70 0.23 -1.06 -4.53 119.30 119.71 2qs1 s MET 189 Ca 0.07 -1.41 -0.32 0.00 -1.03 0.00 0.00 55.69 52.99 2qs1 s MET 189 Cb -0.16 0.60 -0.13 0.00 -1.53 0.00 0.00 34.83 33.61 2qs1 s MET 189 CO 0.10 -1.02 1.64 0.39 -2.03 0.00 0.00 175.02 174.10 2qs1 n GLU 190 N -0.56 2.53 0.28 3.16 1.02 -1.26 -1.71 120.64 124.09 2qs1 n GLU 190 Ca -0.08 0.91 0.11 0.00 -0.02 0.00 0.00 57.16 58.08 2qs1 n GLU 190 Cb 0.60 -2.71 0.76 0.00 -0.02 0.00 0.00 31.44 30.07 2qs1 n GLU 190 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2qs1 h SER 191 N 6.00 0.00 -0.22 1.62 4.64 -0.90 -1.56 113.55 123.12 2qs1 h SER 191 Ca -0.44 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 2qs1 h SER 191 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2qs1 h SER 191 CO 0.89 0.00 0.08 0.71 -0.87 0.00 0.00 176.83 177.65 2qs1 h THR 192 N 0.00 0.95 -0.77 2.95 1.35 -1.90 -0.59 112.91 114.90 2qs1 h THR 192 Ca -0.00 -0.06 -0.03 0.00 -0.55 0.00 0.00 66.41 65.77 2qs1 h THR 192 Cb 0.01 0.75 -0.04 0.00 -1.73 0.00 0.00 68.15 67.14 2qs1 h THR 192 CO 0.00 0.03 0.36 -1.28 -0.25 0.00 0.00 175.52 174.39 2qs1 h SER 193 N 0.18 1.02 -0.42 5.36 0.87 -1.66 -2.28 113.55 116.61 2qs1 h SER 193 Ca 0.10 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2qs1 h SER 193 Cb 0.06 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2qs1 h SER 193 CO -0.10 0.87 0.22 0.40 -0.53 0.00 0.00 176.83 177.69 2qs1 h ILE 194 N 1.09 1.16 -0.83 2.23 2.04 -1.18 -1.93 117.51 120.09 2qs1 h ILE 194 Ca 0.26 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2qs1 h ILE 194 Cb 0.13 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2qs1 h ILE 194 CO -0.03 0.17 0.48 -0.08 0.00 0.00 0.00 178.15 178.69 2qs1 h GLU 195 N 0.54 1.14 -0.99 2.37 4.81 -1.00 -0.67 114.58 120.79 2qs1 h GLU 195 Ca 0.15 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2qs1 h GLU 195 Cb 0.07 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 2qs1 h GLU 195 CO -0.02 0.82 0.65 -0.92 -0.73 0.00 0.00 179.01 178.81 2qs1 h TYR 196 N 1.15 1.24 -0.11 0.92 3.20 -1.13 -2.35 116.97 119.88 2qs1 h TYR 196 Ca 0.30 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 2qs1 h TYR 196 Cb -0.01 -0.42 0.00 0.00 1.54 0.00 0.00 36.73 37.84 2qs1 h TYR 196 CO 0.00 0.78 -0.31 0.28 -1.64 0.00 0.00 178.16 177.27 2qs1 h VAL 197 N 1.33 1.39 -0.06 1.81 2.07 -0.84 -3.28 116.25 118.66 2qs1 h VAL 197 Ca 0.36 -1.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 2qs1 h VAL 197 Cb -0.15 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2qs1 h VAL 197 CO -0.08 0.48 -0.34 0.71 0.02 0.00 0.00 177.57 178.36 2qs1 h THR 198 N -0.03 1.26 0.00 2.57 1.35 -1.03 0.57 112.91 117.59 2qs1 h THR 198 Ca -0.01 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 2qs1 h THR 198 Cb 0.92 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2qs1 h THR 198 CO 0.07 0.37 -0.06 1.56 -0.25 0.00 0.00 175.52 177.21 2qs1 h GLN 199 N 0.10 0.00 0.00 4.72 1.08 -1.51 -3.13 115.11 116.37 2qs1 h GLN 199 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2qs1 h GLN 199 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2qs1 h GLN 199 CO 0.05 0.06 -1.03 0.54 -0.95 0.00 0.00 178.83 177.49 2qs1 n ARG 200 N -4.24 1.22 -3.76 1.46 1.74 -0.49 -4.07 116.66 108.52 2qs1 n ARG 200 Ca -0.03 -0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.72 2qs1 n ARG 200 Cb 0.14 -1.32 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 2qs1 n ARG 200 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2qs1 s ASN 201 N -2.92 4.06 0.19 0.55 0.01 0.07 -5.00 114.94 111.90 2qs1 s ASN 201 Ca 0.03 -1.79 0.22 0.00 -0.71 0.00 0.00 52.86 50.61 2qs1 s ASN 201 Cb 0.12 -0.95 0.89 0.00 0.41 0.00 0.00 41.25 41.72 2qs1 s ASN 201 CO 0.70 -0.40 1.67 0.00 -1.51 0.00 0.00 177.10 177.56 2qs1 h ASN 203 N 0.00 0.00 -3.13 0.00 2.35 -1.95 -3.47 115.58 109.38 2qs1 h ASN 203 Ca 0.00 -0.05 -0.64 0.00 -0.55 0.00 0.00 56.30 55.06 2qs1 h ASN 203 Cb 0.38 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.67 2qs1 h ASN 203 CO 0.00 0.03 -0.58 -0.76 -1.65 0.00 0.00 177.43 174.46 2qs1 s LEU 204 N -4.81 3.90 0.06 1.61 1.02 -0.81 -2.21 118.68 117.43 2qs1 s LEU 204 Ca 0.08 0.06 -0.04 0.00 0.02 0.00 0.00 54.13 54.25 2qs1 s LEU 204 Cb 0.11 -2.52 -0.02 0.00 0.02 0.00 0.00 46.19 43.78 2qs1 s LEU 204 CO 0.65 0.19 0.06 0.28 0.02 0.00 0.00 176.35 177.55 2qs1 s THR 205 N -1.37 0.18 0.33 5.49 -1.32 0.41 -4.76 115.64 114.58 2qs1 s THR 205 Ca 0.29 -1.44 -0.27 0.00 -1.21 0.00 0.00 61.69 59.06 2qs1 s THR 205 Cb -0.12 -1.29 -0.09 0.00 -1.51 0.00 0.00 72.50 69.49 2qs1 s THR 205 CO 0.22 -0.80 1.07 -1.58 -2.21 0.00 0.00 174.62 171.31 2qs1 s GLN 206 N -3.53 4.44 -0.14 7.08 0.74 -1.26 -1.85 119.66 125.13 2qs1 s GLN 206 Ca 0.03 1.65 0.01 0.00 0.05 0.00 0.00 55.36 57.10 2qs1 s GLN 206 Cb 0.04 -2.90 0.00 0.00 1.10 0.00 0.00 33.01 31.25 2qs1 s GLN 206 CO -0.09 0.08 -0.18 0.42 -0.55 0.00 0.00 175.29 174.97 2qs1 s ILE 207 N -1.39 2.48 0.01 -2.34 -1.09 0.14 -4.92 121.20 114.10 2qs1 s ILE 207 Ca 0.50 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2qs1 s ILE 207 Cb -0.27 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.59 2qs1 s ILE 207 CO 0.34 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.19 2qs1 n GLY 208 N 3.96 -1.78 0.00 6.18 0.00 -1.21 -3.44 105.19 108.90 2qs1 n GLY 208 Ca -0.19 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2qs1 n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qs1 n GLY 209 N -0.28 1.34 3.70 -0.02 0.00 -1.26 -4.89 105.19 103.78 2qs1 n GLY 209 Ca 0.00 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 2qs1 n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qs1 s LEU 210 N 0.00 4.24 0.12 0.99 1.43 -1.26 -4.62 118.68 119.58 2qs1 s LEU 210 Ca 0.00 0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 53.89 2qs1 s LEU 210 Cb 0.00 -2.82 -0.10 0.00 0.03 0.00 0.00 46.19 43.30 2qs1 s LEU 210 CO 0.00 -0.10 1.33 0.40 0.23 0.00 0.00 176.35 178.21 2qs1 h ILE 211 N 4.87 1.31 -2.74 -0.59 2.04 0.43 -3.47 117.51 119.35 2qs1 h ILE 211 Ca -0.38 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.43 2qs1 h ILE 211 Cb 1.17 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 2qs1 h ILE 211 CO 0.76 0.64 0.00 -0.90 0.00 0.00 0.00 178.15 178.65 2qs1 n ASP 212 N -3.90 1.08 -3.73 1.72 5.75 -1.26 -4.92 116.55 111.29 2qs1 n ASP 212 Ca -0.07 -0.66 -0.13 0.00 -0.01 0.00 0.00 54.79 53.93 2qs1 n ASP 212 Cb 0.75 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.71 2qs1 n ASP 212 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2qs1 s SER 213 N -0.31 -0.21 0.18 -1.12 0.15 -1.26 -4.33 113.70 106.80 2qs1 s SER 213 Ca 0.00 0.47 -0.24 0.00 0.70 0.00 0.00 55.95 56.89 2qs1 s SER 213 Cb 0.00 0.36 0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2qs1 s SER 213 CO 0.00 -0.16 0.81 -1.59 1.20 0.00 0.00 173.24 173.50 2qs1 s LYS 214 N 1.27 1.39 0.08 5.44 -2.85 -0.67 -5.00 119.74 119.39 2qs1 s LYS 214 Ca -0.09 -0.72 0.03 0.00 -1.00 0.00 0.00 55.97 54.20 2qs1 s LYS 214 Cb -0.11 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2qs1 s LYS 214 CO -0.08 -0.63 -0.09 0.20 0.10 0.00 0.00 175.35 174.85 2qs1 s GLY 215 N -2.85 0.76 -0.05 0.59 0.00 -1.26 -0.68 107.32 103.83 2qs1 s GLY 215 Ca 0.09 -1.11 -0.23 0.00 0.00 0.00 0.00 44.72 43.48 2qs1 s GLY 215 CO 0.01 -1.18 0.69 -0.19 0.00 0.00 0.00 173.10 172.43 2qs1 s TYR 216 N -2.30 3.60 0.26 1.90 4.12 -0.22 -0.82 117.35 123.90 2qs1 s TYR 216 Ca 0.02 1.26 0.04 0.00 0.02 0.00 0.00 57.07 58.42 2qs1 s TYR 216 Cb -0.04 -2.78 -0.06 0.00 -1.52 0.00 0.00 41.96 37.56 2qs1 s TYR 216 CO -0.00 0.13 -0.01 0.20 0.02 0.00 0.00 175.55 175.89 2qs1 s GLY 217 N 0.62 1.72 -0.14 0.71 0.00 -0.71 -1.07 107.32 108.45 2qs1 s GLY 217 Ca 0.37 -1.85 -0.27 0.00 0.00 0.00 0.00 44.72 42.97 2qs1 s GLY 217 CO 0.18 -1.74 0.90 0.14 0.00 0.00 0.00 173.10 172.59 2qs1 s VAL 218 N -3.29 4.84 0.26 1.40 1.01 -1.26 -4.48 120.40 118.88 2qs1 s VAL 218 Ca 0.30 1.81 -0.20 0.00 0.00 0.00 0.00 61.98 63.89 2qs1 s VAL 218 Cb 0.06 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 2qs1 s VAL 218 CO 0.11 0.03 0.77 -0.83 0.00 0.00 0.00 175.10 175.17 2qs1 s GLY 219 N 1.11 2.60 0.12 4.51 0.00 -0.56 -0.73 107.32 114.36 2qs1 s GLY 219 Ca 0.43 0.22 -0.04 0.00 0.00 0.00 0.00 44.72 45.33 2qs1 s GLY 219 CO 0.15 0.56 0.10 -0.51 0.00 0.00 0.00 173.10 173.41 2qs1 s THR 220 N -1.63 0.12 0.78 0.90 -4.23 -0.03 -0.36 115.64 111.19 2qs1 s THR 220 Ca 0.47 -1.70 -0.13 0.00 -1.18 0.00 0.00 61.69 59.14 2qs1 s THR 220 Cb -0.16 -1.83 0.07 0.00 1.34 0.00 0.00 72.50 71.92 2qs1 s THR 220 CO 0.21 -0.55 1.15 -2.16 -0.54 0.00 0.00 174.62 172.73 2qs1 s PRO 221 N -3.99 1.92 0.21 3.99 0.04 -1.26 -0.78 135.00 135.13 2qs1 s PRO 221 Ca 0.17 1.54 -0.32 0.00 0.04 0.00 0.00 61.00 62.43 2qs1 s PRO 221 Cb 0.06 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.65 2qs1 s PRO 221 CO -0.02 -1.96 1.66 -0.89 0.04 0.00 0.00 177.00 175.84 2qs1 n ILE 222 N -3.28 0.15 -0.46 0.56 5.41 -1.26 -1.85 119.36 118.63 2qs1 n ILE 222 Ca 0.12 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.83 2qs1 n ILE 222 Cb 0.51 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 2qs1 n ILE 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qs1 n GLY 223 N 3.57 0.94 3.69 7.39 0.00 -1.26 -4.97 105.19 114.54 2qs1 n GLY 223 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 2qs1 n GLY 223 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qs1 n SER 224 N 0.00 3.28 0.00 1.61 2.88 -0.77 -4.87 113.62 115.75 2qs1 n SER 224 Ca 0.00 1.09 0.09 0.00 -1.33 0.00 0.00 58.87 58.72 2qs1 n SER 224 Cb 0.00 -1.47 0.46 0.00 -0.75 0.00 0.00 64.21 62.45 2qs1 n SER 224 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2qs1 n PRO 225 N 3.17 0.27 0.14 -1.46 -0.04 -1.26 -2.97 135.00 132.85 2qs1 n PRO 225 Ca 0.15 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 2qs1 n PRO 225 Cb 0.31 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.33 2qs1 n PRO 225 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qs1 h TYR 226 N 0.00 0.00 0.51 0.54 -1.99 -1.97 -3.40 116.97 110.67 2qs1 h TYR 226 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 2qs1 h TYR 226 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 2qs1 h TYR 226 CO 0.00 0.04 -0.28 -0.09 -0.00 0.00 0.00 178.16 177.84 2qs1 h ARG 227 N 0.00 -0.70 -0.24 4.88 1.12 -1.93 0.10 114.38 117.60 2qs1 h ARG 227 Ca -0.01 0.05 -0.07 0.00 -1.11 0.00 0.00 59.98 58.84 2qs1 h ARG 227 Cb 1.04 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 31.14 2qs1 h ARG 227 CO 0.00 -0.47 -0.17 -0.44 -3.11 0.00 0.00 179.97 175.78 2qs1 h ASP 228 N -0.73 0.41 -0.80 -3.80 3.32 -1.82 -1.31 116.42 111.69 2qs1 h ASP 228 Ca -0.07 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 2qs1 h ASP 228 Cb 0.58 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2qs1 h ASP 228 CO 0.09 0.60 0.33 0.11 -1.72 0.00 0.00 179.24 178.65 2qs1 h LYS 229 N 0.38 1.19 -0.51 3.56 1.57 -1.69 -1.75 116.57 119.33 2qs1 h LYS 229 Ca 0.07 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 2qs1 h LYS 229 Cb 0.53 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2qs1 h LYS 229 CO 0.03 0.96 -0.12 0.82 -0.57 0.00 0.00 179.45 180.57 2qs1 h ILE 230 N 1.17 1.27 -0.38 1.86 2.04 -0.47 -1.05 117.51 121.94 2qs1 h ILE 230 Ca 0.27 -1.27 0.07 0.00 1.00 0.00 0.00 64.86 64.92 2qs1 h ILE 230 Cb 0.20 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 2qs1 h ILE 230 CO -0.02 0.45 0.00 0.74 0.00 0.00 0.00 178.15 179.32 2qs1 h THR 231 N 0.85 0.72 -0.72 -0.27 2.02 -1.00 0.63 112.91 115.14 2qs1 h THR 231 Ca 0.13 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 2qs1 h THR 231 Cb 0.69 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2qs1 h THR 231 CO 0.05 0.02 0.24 0.40 0.37 0.00 0.00 175.52 176.60 2qs1 h ILE 232 N 0.11 1.26 -0.48 3.11 2.04 -1.03 -0.45 117.51 122.06 2qs1 h ILE 232 Ca 0.18 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2qs1 h ILE 232 Cb 0.25 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2qs1 h ILE 232 CO -0.30 0.34 0.13 0.00 0.00 0.00 0.00 178.15 178.32 2qs1 h ALA 233 N 1.19 0.64 -0.45 1.87 0.00 -0.75 -1.61 119.26 120.15 2qs1 h ALA 233 Ca 0.24 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2qs1 h ALA 233 Cb 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2qs1 h ALA 233 CO -0.01 0.31 0.24 0.82 0.00 0.00 0.00 179.25 180.61 2qs1 h ILE 234 N 0.65 0.99 -0.72 0.00 2.04 -0.45 -0.40 117.51 119.62 2qs1 h ILE 234 Ca 0.15 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2qs1 h ILE 234 Cb 0.31 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2qs1 h ILE 234 CO -0.00 0.09 0.42 -0.07 0.00 0.00 0.00 178.15 178.58 2qs1 h LEU 235 N 0.47 0.89 -0.21 1.44 3.38 -0.92 -0.12 115.31 120.25 2qs1 h LEU 235 Ca 0.19 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2qs1 h LEU 235 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qs1 h LEU 235 CO -0.12 0.71 0.12 -0.61 0.09 0.00 0.00 178.44 178.63 2qs1 h GLN 236 N 0.99 0.24 -0.94 1.13 4.15 -0.93 -0.42 115.11 119.34 2qs1 h GLN 236 Ca 0.26 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.67 2qs1 h GLN 236 Cb -0.00 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.59 2qs1 h GLN 236 CO -0.05 0.16 0.62 -0.07 -1.93 0.00 0.00 178.83 177.56 2qs1 h LEU 237 N 0.25 1.08 0.33 -2.39 3.38 -0.78 -0.31 115.31 116.87 2qs1 h LEU 237 Ca 0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2qs1 h LEU 237 Cb -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2qs1 h LEU 237 CO -0.04 0.79 -0.16 -0.61 0.09 0.00 0.00 178.44 178.51 2qs1 h GLN 238 N 1.28 -0.43 -0.22 1.13 -0.00 -0.78 0.16 115.11 116.25 2qs1 h GLN 238 Ca 0.34 0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.99 2qs1 h GLN 238 Cb -0.14 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 2qs1 h GLN 238 CO -0.07 -0.19 -0.00 0.93 0.00 0.00 0.00 178.83 179.50 2qs1 h GLU 239 N -0.60 0.32 -0.00 1.69 5.08 -0.90 -1.53 114.58 118.64 2qs1 h GLU 239 Ca -0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2qs1 h GLU 239 Cb 0.44 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2qs1 h GLU 239 CO 0.07 0.35 -0.00 0.39 -1.00 0.00 0.00 179.01 178.82 2qs1 n GLU 240 N -4.36 0.72 -0.95 2.33 1.02 -0.14 -4.90 120.64 114.36 2qs1 n GLU 240 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2qs1 n GLU 240 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2qs1 n GLU 240 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qs1 n GLY 241 N 1.15 0.55 0.17 0.62 0.00 -0.58 -4.95 105.19 102.16 2qs1 n GLY 241 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 2qs1 n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qs1 h LYS 242 N 1.27 0.51 -0.62 1.61 1.57 -0.88 -2.52 116.57 117.52 2qs1 h LYS 242 Ca 0.00 -0.54 -0.06 0.00 -1.87 0.00 0.00 60.65 58.19 2qs1 h LYS 242 Cb 0.00 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2qs1 h LYS 242 CO 0.00 1.17 0.17 -0.07 -0.57 0.00 0.00 179.45 180.15 2qs1 h LEU 243 N 0.30 0.90 -0.16 2.94 3.38 -1.76 0.21 115.31 121.13 2qs1 h LEU 243 Ca -0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2qs1 h LEU 243 Cb 1.59 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2qs1 h LEU 243 CO 0.17 0.87 0.10 -0.74 0.09 0.00 0.00 178.44 178.93 2qs1 h HIS 244 N 0.93 0.20 -0.11 1.13 2.76 -1.84 -0.56 115.15 117.66 2qs1 h HIS 244 Ca 0.20 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.25 2qs1 h HIS 244 Cb 0.31 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 2qs1 h HIS 244 CO 0.02 0.13 -0.49 0.00 -1.30 0.00 0.00 177.93 176.30 2qs1 h MET 245 N 0.21 0.29 -0.45 5.26 -0.00 -1.21 -0.29 114.93 118.74 2qs1 h MET 245 Ca 0.06 -0.16 -0.11 0.00 -0.00 0.00 0.00 59.70 59.48 2qs1 h MET 245 Cb -0.02 0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 2qs1 h MET 245 CO -0.01 0.72 -0.17 0.52 -0.00 0.00 0.00 176.91 177.96 2qs1 h MET 246 N 0.23 0.87 -0.42 -0.10 2.07 -0.86 -0.18 114.93 116.54 2qs1 h MET 246 Ca 0.01 -0.33 -0.05 0.00 -2.07 0.00 0.00 59.70 57.26 2qs1 h MET 246 Cb 0.94 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.61 2qs1 h MET 246 CO 0.08 0.97 0.08 -0.22 1.07 0.00 0.00 176.91 178.89 2qs1 h LYS 247 N 0.77 0.68 -0.74 1.72 1.63 -0.75 -3.05 116.57 116.82 2qs1 h LYS 247 Ca 0.11 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 2qs1 h LYS 247 Cb 0.70 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.21 2qs1 h LYS 247 CO 0.05 0.71 0.40 0.93 -3.45 0.00 0.00 179.45 178.09 2qs1 h GLU 248 N 0.54 1.05 -0.68 1.90 4.39 -0.91 -0.13 114.58 120.73 2qs1 h GLU 248 Ca 0.13 -0.13 0.14 0.00 0.34 0.00 0.00 59.36 59.83 2qs1 h GLU 248 Cb 0.36 -0.20 -0.10 0.00 -0.10 0.00 0.00 28.75 28.71 2qs1 h GLU 248 CO 0.01 0.79 0.17 -0.22 -1.16 0.00 0.00 179.01 178.59 2qs1 h LYS 249 N 1.03 0.28 0.00 2.33 3.64 -0.95 -2.52 116.57 120.38 2qs1 h LYS 249 Ca 0.26 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.30 2qs1 h LYS 249 Cb 0.05 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 2qs1 h LYS 249 CO -0.04 0.18 -2.08 0.91 -2.27 0.00 0.00 179.45 176.16 2qs1 n TRP 250 N -5.13 0.44 0.01 1.91 7.02 -1.06 -4.53 117.44 116.10 2qs1 n TRP 250 Ca 0.12 0.16 -0.17 0.00 -1.02 0.00 0.00 57.50 56.59 2qs1 n TRP 250 Cb 0.39 -1.07 -0.14 0.00 -2.42 0.00 0.00 31.31 28.07 2qs1 n TRP 250 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 2qs1 h TRP 251 N 0.00 0.34 -2.75 -5.99 6.55 -1.05 -3.47 115.95 109.58 2qs1 h TRP 251 Ca -0.42 -0.25 -0.52 0.00 0.95 0.00 0.00 58.89 58.65 2qs1 h TRP 251 Cb 2.12 -0.01 0.05 0.00 -0.86 0.00 0.00 29.16 30.45 2qs1 h TRP 251 CO 0.00 1.46 0.94 0.50 -1.05 0.00 0.00 178.44 180.29 2qs1 s ARG 252 N -2.58 4.18 0.00 0.49 3.52 -0.95 -4.80 118.95 118.80 2qs1 s ARG 252 Ca -0.14 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.93 2qs1 s ARG 252 Cb 0.07 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 2qs1 s ARG 252 CO 0.81 -0.67 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 2qs1 n GLY 253 N 3.86 1.71 0.00 8.12 0.00 -1.26 -5.01 105.19 112.61 2qs1 n GLY 253 Ca 0.15 -2.04 0.06 0.00 0.00 0.00 0.00 46.02 44.18 2qs1 n GLY 253 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02