#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 4.35 0.17 5.15 2.01 -1.26 -4.48 115.64 121.57 2qs1 s THR 5 Ca 0.00 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 2qs1 s THR 5 Cb 0.00 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 2qs1 s THR 5 CO 0.00 -0.40 1.16 -0.76 -0.69 0.00 0.00 174.62 173.93 2qs1 s LEU 6 N 3.86 4.45 -0.17 4.42 1.43 -0.07 -4.84 118.68 127.77 2qs1 s LEU 6 Ca 0.51 2.15 -0.22 0.00 -1.03 0.00 0.00 54.13 55.54 2qs1 s LEU 6 Cb -0.16 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 2qs1 s LEU 6 CO 0.17 -0.33 0.68 -0.63 0.23 0.00 0.00 176.35 176.47 2qs1 s ILE 7 N 0.01 5.00 -0.25 -0.59 -1.09 -1.26 -0.72 121.20 122.30 2qs1 s ILE 7 Ca 0.52 1.30 -0.04 0.00 -2.23 0.00 0.00 60.65 60.21 2qs1 s ILE 7 Cb -0.31 -3.99 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 2qs1 s ILE 7 CO 0.35 0.12 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.47 2qs1 s VAL 8 N 1.78 3.33 0.21 2.92 1.01 -0.17 0.03 120.40 129.51 2qs1 s VAL 8 Ca 0.32 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2qs1 s VAL 8 Cb -0.16 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.49 2qs1 s VAL 8 CO 0.12 0.23 0.79 0.28 0.00 0.00 0.00 175.10 176.52 2qs1 s THR 9 N 1.42 4.41 0.24 3.92 -1.32 0.24 -0.60 115.64 123.94 2qs1 s THR 9 Ca 0.02 1.58 -0.06 0.00 -1.21 0.00 0.00 61.69 62.03 2qs1 s THR 9 Cb -0.16 -4.02 0.02 0.00 -1.51 0.00 0.00 72.50 66.83 2qs1 s THR 9 CO -0.02 0.34 0.42 1.07 -2.21 0.00 0.00 174.62 174.22 2qs1 n THR 10 N 1.10 0.00 -3.84 5.08 5.66 -1.15 -2.06 114.28 119.06 2qs1 n THR 10 Ca -0.03 -0.88 -0.12 0.00 -3.05 0.00 0.00 64.05 59.97 2qs1 n THR 10 Cb 0.50 0.67 -0.13 0.00 -1.55 0.00 0.00 70.33 69.82 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 -2.55 0.01 -0.01 1.09 2.07 -1.26 -0.79 121.20 119.75 2qs1 s ILE 11 Ca 0.14 -0.05 -0.30 0.00 -1.41 0.00 0.00 60.65 59.03 2qs1 s ILE 11 Cb -0.02 -0.15 -0.06 0.00 0.13 0.00 0.00 42.46 42.35 2qs1 s ILE 11 CO 0.10 -0.03 1.67 -0.76 -1.91 0.00 0.00 174.94 174.02 2qs1 s LEU 12 N -0.05 4.34 -0.30 8.50 1.43 -1.26 -4.47 118.68 126.87 2qs1 s LEU 12 Ca -0.01 2.33 -0.09 0.00 -1.03 0.00 0.00 54.13 55.33 2qs1 s LEU 12 Cb -0.01 -3.54 0.17 0.00 0.03 0.00 0.00 46.19 42.83 2qs1 s LEU 12 CO 0.00 -0.92 0.79 -0.70 0.23 0.00 0.00 176.35 175.75 2qs1 s GLU 13 N 3.69 0.44 0.17 1.70 2.56 -0.64 -4.97 118.70 121.64 2qs1 s GLU 13 Ca 0.75 0.94 -0.30 0.00 0.00 0.00 0.00 54.97 56.35 2qs1 s GLU 13 Cb -0.36 0.55 -0.08 0.00 2.00 0.00 0.00 34.13 36.24 2qs1 s GLU 13 CO 0.31 -0.31 1.25 -2.00 -0.56 0.00 0.00 175.26 173.95 2qs1 s GLU 14 N 2.79 4.44 -0.36 4.30 2.12 -1.26 0.44 118.70 131.16 2qs1 s GLU 14 Ca 0.04 1.94 0.08 0.00 0.36 0.00 0.00 54.97 57.40 2qs1 s GLU 14 Cb -0.11 -3.23 0.71 0.00 0.26 0.00 0.00 34.13 31.76 2qs1 s GLU 14 CO -0.18 -0.19 1.82 -0.35 -0.54 0.00 0.00 175.26 175.83 2qs1 n PRO 15 N 2.78 3.17 0.01 4.30 -0.04 -1.26 -4.95 135.00 139.01 2qs1 n PRO 15 Ca 0.06 -3.07 -0.18 0.00 -0.04 0.00 0.00 63.50 60.27 2qs1 n PRO 15 Cb 0.44 -2.18 -0.12 0.00 -0.04 0.00 0.00 33.50 31.60 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 2.06 0.51 -2.97 0.54 -1.99 -0.35 -0.61 116.97 114.17 2qs1 h TYR 16 Ca 0.38 -0.31 -0.24 0.00 2.00 0.00 0.00 58.73 60.56 2qs1 h TYR 16 Cb 2.46 -0.05 -0.34 0.00 2.00 0.00 0.00 36.73 40.81 2qs1 h TYR 16 CO 1.36 1.15 -0.57 0.08 -0.00 0.00 0.00 178.16 180.19 2qs1 s VAL 17 N -2.94 -0.32 0.01 -2.88 1.01 -0.41 -0.79 120.40 114.07 2qs1 s VAL 17 Ca -0.14 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2qs1 s VAL 17 Cb 0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 2qs1 s VAL 17 CO 0.81 0.12 0.10 -0.04 0.00 0.00 0.00 175.10 176.09 2qs1 s MET 18 N 2.26 0.44 0.20 2.72 -1.94 0.26 -1.62 119.30 121.61 2qs1 s MET 18 Ca 0.01 -0.45 -0.30 0.00 -1.71 0.00 0.00 55.69 53.24 2qs1 s MET 18 Cb -0.12 0.18 -0.09 0.00 2.01 0.00 0.00 34.83 36.81 2qs1 s MET 18 CO -0.07 -0.10 1.30 0.71 -0.01 0.00 0.00 175.02 176.85 2qs1 s TYR 19 N -1.39 3.27 0.39 -0.03 1.51 -1.26 -0.64 117.35 119.19 2qs1 s TYR 19 Ca -0.15 1.24 -0.27 0.00 -1.01 0.00 0.00 57.07 56.88 2qs1 s TYR 19 Cb -0.08 -3.59 -0.09 0.00 -0.11 0.00 0.00 41.96 38.09 2qs1 s TYR 19 CO 0.01 -1.82 1.36 1.03 -1.11 0.00 0.00 175.55 175.02 2qs1 s ARG 20 N -0.11 4.03 -1.34 -0.62 0.52 -0.40 -4.81 118.95 116.23 2qs1 s ARG 20 Ca 0.56 2.30 -0.16 0.00 -0.52 0.00 0.00 55.73 57.91 2qs1 s ARG 20 Cb -0.36 -2.85 0.07 0.00 0.52 0.00 0.00 34.95 32.33 2qs1 s ARG 20 CO 0.38 -0.49 1.85 1.17 0.02 0.00 0.00 175.30 178.23 2qs1 n LYS 21 N 0.28 3.13 -3.65 3.54 4.81 -1.26 -4.86 118.16 120.15 2qs1 n LYS 21 Ca 0.03 -3.15 -0.15 0.00 -0.87 0.00 0.00 58.31 54.17 2qs1 n LYS 21 Cb 0.42 -3.40 -0.08 0.00 0.02 0.00 0.00 35.03 31.99 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 3.76 -0.55 -0.05 3.14 0.15 -1.26 -5.01 113.70 113.88 2qs1 s SER 22 Ca 0.51 0.90 0.18 0.00 0.70 0.00 0.00 55.95 58.24 2qs1 s SER 22 Cb 0.06 0.90 0.57 0.00 -1.71 0.00 0.00 66.02 65.85 2qs1 s SER 22 CO 0.03 -0.33 1.48 0.47 1.20 0.00 0.00 173.24 176.09 2qs1 n ASP 23 N 2.12 3.92 -4.73 5.45 8.00 -1.26 -5.01 116.55 125.04 2qs1 n ASP 23 Ca -0.16 -2.20 -0.32 0.00 0.71 0.00 0.00 54.79 52.82 2qs1 n ASP 23 Cb 0.56 -0.45 0.12 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.38 1.80 -0.77 -1.24 1.02 -1.26 -4.87 119.74 113.04 2qs1 s LYS 24 Ca 0.42 1.40 -0.26 0.00 0.02 0.00 0.00 55.97 57.55 2qs1 s LYS 24 Cb 0.25 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 2qs1 s LYS 24 CO 0.24 -2.02 1.62 -1.25 -0.92 0.00 0.00 175.35 173.03 2qs1 s PRO 25 N -4.63 2.95 -0.08 -1.68 0.04 -1.26 -4.92 135.00 125.41 2qs1 s PRO 25 Ca 0.65 -0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.63 2qs1 s PRO 25 Cb -0.21 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.74 2qs1 s PRO 25 CO 0.54 -2.57 -0.21 -0.51 0.04 0.00 0.00 177.00 174.29 2qs1 s LEU 26 N 7.52 1.99 0.16 -3.56 1.43 -1.26 -5.10 118.68 119.84 2qs1 s LEU 26 Ca 0.54 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 2qs1 s LEU 26 Cb -0.08 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2qs1 s LEU 26 CO 0.10 0.15 -0.13 -0.31 0.23 0.00 0.00 176.35 176.39 2qs1 s TYR 27 N 0.30 1.43 0.00 0.29 1.51 -1.26 -4.64 117.35 114.98 2qs1 s TYR 27 Ca -0.14 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 2qs1 s TYR 27 Cb -0.16 -0.71 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 2qs1 s TYR 27 CO 0.07 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.10 2qs1 n GLY 28 N -0.02 3.24 0.30 0.71 0.00 -1.26 -1.60 105.19 106.57 2qs1 n GLY 28 Ca -0.11 -0.14 0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 1.93 0.00 0.74 1.61 2.35 -1.91 -2.69 115.58 117.61 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 0.03 0.00 0.47 -1.65 0.00 0.00 177.43 176.28 2qs1 n ASP 30 N -3.63 0.30 0.20 5.81 10.43 -0.62 -2.24 116.55 126.80 2qs1 n ASP 30 Ca -0.03 0.56 0.14 0.00 2.57 0.00 0.00 54.79 58.04 2qs1 n ASP 30 Cb 0.12 -0.63 0.59 0.00 1.84 0.00 0.00 41.12 43.04 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 -6.40 -1.24 3.08 -1.58 -3.44 114.38 104.81 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 -0.74 -0.06 -1.07 0.00 0.00 179.97 178.10 2qs1 s PHE 32 N -3.49 2.52 0.20 3.04 0.40 -0.95 -1.28 117.98 118.43 2qs1 s PHE 32 Ca 0.03 -0.27 -0.08 0.00 -0.60 0.00 0.00 56.93 56.01 2qs1 s PHE 32 Cb 0.09 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 2qs1 s PHE 32 CO 0.46 0.56 0.31 -1.83 0.70 0.00 0.00 175.22 175.42 2qs1 s GLU 33 N -3.06 1.30 0.00 0.44 -1.05 0.18 -4.75 118.70 111.77 2qs1 s GLU 33 Ca 0.26 -1.33 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 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 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.28 2qs1 n GLY 34 N -0.29 3.14 0.29 -3.83 0.00 -1.26 -0.58 105.19 102.67 2qs1 n GLY 34 Ca -0.03 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.24 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 0.47 0.00 1.61 3.20 -0.82 -1.08 116.97 120.35 2qs1 h TYR 35 Ca 0.00 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.79 2qs1 h TYR 35 Cb 0.00 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2qs1 h TYR 35 CO 0.00 -0.02 -0.57 0.00 -1.64 0.00 0.00 178.16 175.93 2qs1 h LEU 37 N 0.00 0.95 -0.48 0.00 -0.00 -1.34 -0.61 115.31 113.82 2qs1 h LEU 37 Ca -0.01 -0.42 -0.03 0.00 -0.00 0.00 0.00 57.88 57.42 2qs1 h LEU 37 Cb 1.08 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 2qs1 h LEU 37 CO 0.07 1.16 0.17 0.44 -0.00 0.00 0.00 178.44 180.28 2qs1 h ASP 38 N 0.74 0.69 -0.31 -0.43 3.32 -0.91 -1.17 116.42 118.35 2qs1 h ASP 38 Ca 0.09 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.96 2qs1 h ASP 38 Cb 0.82 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2qs1 h ASP 38 CO 0.07 0.70 0.18 0.25 -1.72 0.00 0.00 179.24 178.72 2qs1 h LEU 39 N 0.64 0.30 -0.75 1.55 5.85 -0.94 -1.76 115.31 120.21 2qs1 h LEU 39 Ca 0.16 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2qs1 h LEU 39 Cb 0.24 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2qs1 h LEU 39 CO -0.01 0.22 0.37 0.25 -0.34 0.00 0.00 178.44 178.93 2qs1 h LEU 40 N 0.38 0.97 -0.53 2.25 5.85 -0.93 0.70 115.31 124.00 2qs1 h LEU 40 Ca 0.12 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2qs1 h LEU 40 Cb -0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2qs1 h LEU 40 CO -0.05 0.82 0.32 0.50 -0.34 0.00 0.00 178.44 179.70 2qs1 h LYS 41 N 1.05 0.63 -0.48 1.25 1.63 -0.94 0.66 116.57 120.37 2qs1 h LYS 41 Ca 0.26 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.99 2qs1 h LYS 41 Cb 0.10 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 2qs1 h LYS 41 CO -0.03 0.42 0.19 0.93 -3.45 0.00 0.00 179.45 177.50 2qs1 h GLU 42 N 0.65 0.71 -0.49 1.90 4.39 -0.70 -1.05 114.58 119.99 2qs1 h GLU 42 Ca 0.21 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2qs1 h GLU 42 Cb -0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2qs1 h GLU 42 CO -0.08 0.64 0.32 -0.07 -1.16 0.00 0.00 179.01 178.66 2qs1 h LEU 43 N 0.63 0.57 -0.54 1.33 3.38 -0.54 -0.68 115.31 119.45 2qs1 h LEU 43 Ca 0.16 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2qs1 h LEU 43 Cb 0.19 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2qs1 h LEU 43 CO -0.01 0.42 0.33 0.77 0.09 0.00 0.00 178.44 180.04 2qs1 h SER 44 N 0.66 0.54 0.09 -0.43 4.64 -0.66 -0.38 113.55 118.01 2qs1 h SER 44 Ca 0.18 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 2qs1 h SER 44 Cb -0.06 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 2qs1 h SER 44 CO -0.04 0.38 -0.32 0.78 -0.87 0.00 0.00 176.83 176.77 2qs1 h ASN 45 N 0.66 0.34 -0.01 4.97 2.35 -0.78 0.68 115.58 123.78 2qs1 h ASN 45 Ca 0.22 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 2qs1 h ASN 45 Cb 0.01 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.30 2qs1 h ASN 45 CO -0.09 0.65 -0.37 0.40 -1.65 0.00 0.00 177.43 176.37 2qs1 h ILE 46 N 0.29 1.49 0.00 2.81 2.04 -0.85 -3.35 117.51 119.94 2qs1 h ILE 46 Ca 0.04 -1.96 -0.17 0.00 1.00 0.00 0.00 64.86 63.77 2qs1 h ILE 46 Cb 0.71 2.66 -0.03 0.00 -0.74 0.00 0.00 36.82 39.41 2qs1 h ILE 46 CO 0.05 0.55 -1.10 -0.07 0.00 0.00 0.00 178.15 177.59 2qs1 h LEU 47 N -0.33 0.00 -2.74 1.44 4.07 -1.05 -3.49 115.31 113.20 2qs1 h LEU 47 Ca -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 2qs1 h LEU 47 Cb 1.09 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.85 2qs1 h LEU 47 CO 0.07 0.69 -0.08 0.61 -1.08 0.00 0.00 178.44 178.66 2qs1 n GLY 48 N 1.36 0.65 3.34 0.83 0.00 0.23 -5.07 105.19 106.53 2qs1 n GLY 48 Ca -0.05 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.03 1.92 0.28 1.61 -0.12 -1.01 -5.05 117.98 112.58 2qs1 s PHE 49 Ca 0.03 -0.43 -0.09 0.00 -0.05 0.00 0.00 56.93 56.39 2qs1 s PHE 49 Cb -0.00 -0.99 -0.07 0.00 -0.63 0.00 0.00 43.02 41.33 2qs1 s PHE 49 CO 0.07 0.32 0.60 -0.51 -0.05 0.00 0.00 175.22 175.65 2qs1 s LEU 50 N -2.41 4.08 0.09 -1.99 1.43 -1.26 -4.77 118.68 113.84 2qs1 s LEU 50 Ca 0.14 0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 54.03 2qs1 s LEU 50 Cb -0.08 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.44 2qs1 s LEU 50 CO 0.06 -0.17 0.30 -0.72 0.23 0.00 0.00 176.35 176.06 2qs1 s TYR 51 N -1.99 -0.05 -0.16 0.29 -0.85 -1.26 -0.89 117.35 112.43 2qs1 s TYR 51 Ca 0.47 -0.25 -0.02 0.00 -0.52 0.00 0.00 57.07 56.75 2qs1 s TYR 51 Cb -0.11 0.10 0.05 0.00 0.38 0.00 0.00 41.96 42.39 2qs1 s TYR 51 CO 0.25 -0.59 0.02 0.34 -1.52 0.00 0.00 175.55 174.05 2qs1 s ASP 52 N -2.62 2.60 -0.05 -0.18 2.15 0.11 -4.89 116.67 113.78 2qs1 s ASP 52 Ca 0.01 -0.64 -0.30 0.00 0.43 0.00 0.00 52.55 52.05 2qs1 s ASP 52 Cb 0.02 -0.57 -0.02 0.00 -0.30 0.00 0.00 42.92 42.05 2qs1 s ASP 52 CO -0.09 -0.27 1.01 -0.69 -0.17 0.00 0.00 175.17 174.95 2qs1 s VAL 53 N 1.88 4.78 -0.18 1.11 1.01 -1.26 -1.00 120.40 126.74 2qs1 s VAL 53 Ca 0.01 2.02 -0.00 0.00 0.00 0.00 0.00 61.98 64.00 2qs1 s VAL 53 Cb -0.16 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.97 2qs1 s VAL 53 CO -0.07 0.08 -0.05 -0.54 0.00 0.00 0.00 175.10 174.52 2qs1 s LYS 54 N 1.51 1.45 0.27 2.72 1.02 0.23 -4.84 119.74 122.10 2qs1 s LYS 54 Ca 0.51 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 2qs1 s LYS 54 Cb -0.20 -2.09 -0.11 0.00 -0.52 0.00 0.00 37.83 34.91 2qs1 s LYS 54 CO 0.23 -0.46 1.59 -0.51 -0.92 0.00 0.00 175.35 175.28 2qs1 s LEU 55 N 1.61 4.35 0.02 3.17 1.43 -1.26 -2.96 118.68 125.04 2qs1 s LEU 55 Ca -0.00 2.88 -0.32 0.00 -1.03 0.00 0.00 54.13 55.66 2qs1 s LEU 55 Cb -0.16 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.33 2qs1 s LEU 55 CO -0.08 -0.89 1.90 0.55 0.23 0.00 0.00 176.35 178.06 2qs1 n VAL 56 N 2.52 0.59 -0.35 -1.59 3.14 0.03 -4.87 118.33 117.80 2qs1 n VAL 56 Ca 0.09 -0.11 0.09 0.00 -2.96 0.00 0.00 64.34 61.46 2qs1 n VAL 56 Cb 0.38 -2.09 0.26 0.00 -1.06 0.00 0.00 33.84 31.33 2qs1 n VAL 56 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2qs1 h PRO 57 N 9.51 0.84 -0.04 1.45 0.11 -1.91 -1.58 132.00 140.38 2qs1 h PRO 57 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2qs1 h PRO 57 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2qs1 h PRO 57 CO 0.94 0.56 0.00 -0.40 -0.21 0.00 0.00 178.00 178.89 2qs1 n ASP 58 N -4.70 1.14 -2.46 -2.05 5.68 -1.26 -4.94 116.55 107.95 2qs1 n ASP 58 Ca 0.20 -1.43 -0.20 0.00 -0.50 0.00 0.00 54.79 52.87 2qs1 n ASP 58 Cb 0.44 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.39 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 1.11 -0.50 3.49 6.12 0.00 -0.60 -4.98 105.19 109.83 2qs1 n GLY 59 Ca 0.19 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.10 1.79 -0.03 1.61 1.02 -1.26 -5.00 119.74 112.75 2qs1 s LYS 60 Ca 0.03 -1.26 -0.23 0.00 0.02 0.00 0.00 55.97 54.52 2qs1 s LYS 60 Cb -0.01 -2.07 -0.17 0.00 -0.52 0.00 0.00 37.83 35.06 2qs1 s LYS 60 CO 0.03 0.45 1.04 1.88 -0.92 0.00 0.00 175.35 177.84 2qs1 h TYR 61 N 3.46 -0.19 0.00 3.18 -1.99 -1.93 -2.49 116.97 117.00 2qs1 h TYR 61 Ca -0.49 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 2qs1 h TYR 61 Cb 1.18 0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.98 2qs1 h TYR 61 CO 0.63 0.24 0.00 0.41 -0.00 0.00 0.00 178.16 179.44 2qs1 n GLY 62 N 0.33 3.11 3.14 3.88 0.00 -1.26 -1.71 105.19 112.68 2qs1 n GLY 62 Ca -0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 0.82 -0.03 4.61 0.00 -1.26 -4.92 121.76 120.97 2qs1 s ALA 63 Ca 0.00 -1.36 0.07 0.00 0.00 0.00 0.00 51.96 50.67 2qs1 s ALA 63 Cb 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 2qs1 s ALA 63 CO 0.00 -0.37 -0.26 1.14 0.00 0.00 0.00 175.76 176.28 2qs1 s GLN 64 N -3.94 2.27 0.53 0.00 -2.07 -1.26 -2.10 119.66 113.09 2qs1 s GLN 64 Ca 0.15 -0.92 -0.08 0.00 -1.82 0.00 0.00 55.36 52.69 2qs1 s GLN 64 Cb 0.07 -2.09 0.12 0.00 -1.09 0.00 0.00 33.01 30.02 2qs1 s GLN 64 CO -0.04 0.49 0.72 0.27 -1.32 0.00 0.00 175.29 175.42 2qs1 n ASN 65 N 2.63 0.19 -0.36 12.60 0.23 -0.49 -4.90 115.26 125.16 2qs1 n ASN 65 Ca -0.17 -1.35 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 2qs1 n ASN 65 Cb 0.51 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 2qs1 n ASN 65 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2qs1 n ASP 66 N -3.39 0.57 0.00 0.53 10.43 -1.26 -2.30 116.55 121.13 2qs1 n ASP 66 Ca 0.09 -1.59 0.00 0.00 2.57 0.00 0.00 54.79 55.86 2qs1 n ASP 66 Cb 0.33 -0.28 0.00 0.00 1.84 0.00 0.00 41.12 43.01 2qs1 n ASP 66 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2qs1 n LYS 67 N -0.07 0.14 -0.93 -1.24 5.02 -1.26 -5.00 118.16 114.82 2qs1 n LYS 67 Ca 0.00 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 2qs1 n LYS 67 Cb 0.14 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.06 0.44 3.71 0.72 0.00 -0.97 -5.04 105.19 103.98 2qs1 n GLY 68 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.69 4.21 0.27 1.61 2.02 -1.26 -4.89 118.70 118.97 2qs1 s GLU 69 Ca 0.00 0.01 0.02 0.00 0.02 0.00 0.00 54.97 55.02 2qs1 s GLU 69 Cb 0.00 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 2qs1 s GLU 69 CO 0.00 0.18 0.43 -1.58 0.02 0.00 0.00 175.26 174.31 2qs1 s TRP 70 N 0.66 3.48 0.12 1.61 0.52 -1.26 -1.40 118.94 122.67 2qs1 s TRP 70 Ca 0.14 0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.45 2qs1 s TRP 70 Cb -0.13 -1.74 -0.00 0.00 -1.15 0.00 0.00 33.47 30.45 2qs1 s TRP 70 CO 0.03 0.31 0.03 0.27 0.02 0.00 0.00 176.95 177.62 2qs1 n ASN 71 N -1.40 1.37 0.00 2.95 0.23 -0.89 -4.71 115.26 112.81 2qs1 n ASN 71 Ca -0.07 -1.58 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 2qs1 n ASN 71 Cb 0.56 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.49 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 1.99 0.58 0.29 4.83 0.00 -1.26 -1.85 105.19 109.78 2qs1 n GLY 72 Ca -0.03 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.63 -0.47 1.61 2.86 -0.84 -2.35 114.93 116.37 2qs1 h MET 73 Ca 0.00 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2qs1 h MET 73 Cb 0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2qs1 h MET 73 CO 0.00 0.56 0.28 0.28 1.06 0.00 0.00 176.91 179.10 2qs1 h VAL 74 N 0.62 1.05 -0.91 -2.22 2.07 -1.58 -1.84 116.25 113.44 2qs1 h VAL 74 Ca 0.15 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2qs1 h VAL 74 Cb 0.20 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2qs1 h VAL 74 CO -0.01 0.10 0.50 0.50 0.02 0.00 0.00 177.57 178.69 2qs1 h LYS 75 N 0.57 1.26 -0.89 1.57 1.63 -0.85 -1.24 116.57 118.63 2qs1 h LYS 75 Ca 0.19 -0.15 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2qs1 h LYS 75 Cb 0.01 -0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 31.34 2qs1 h LYS 75 CO -0.08 0.92 0.58 0.93 -3.45 0.00 0.00 179.45 178.35 2qs1 h GLU 76 N 1.27 1.10 -0.15 1.90 4.39 -1.05 -0.42 114.58 121.61 2qs1 h GLU 76 Ca 0.32 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 2qs1 h GLU 76 Cb 0.02 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2qs1 h GLU 76 CO -0.05 0.73 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.44 2qs1 h LEU 77 N 1.13 0.28 -0.95 1.33 3.38 -0.92 -0.64 115.31 118.92 2qs1 h LEU 77 Ca 0.35 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2qs1 h LEU 77 Cb -0.03 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 2qs1 h LEU 77 CO -0.11 0.55 0.61 0.40 0.09 0.00 0.00 178.44 179.98 2qs1 h ILE 78 N 0.00 1.05 -0.00 1.22 2.04 -0.83 -1.55 117.51 119.44 2qs1 h ILE 78 Ca 0.04 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2qs1 h ILE 78 Cb 0.42 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2qs1 h ILE 78 CO 0.01 0.20 -0.00 0.47 0.00 0.00 0.00 178.15 178.83 2qs1 n ASP 79 N -4.56 0.20 -2.34 1.72 8.00 -0.20 -4.90 116.55 114.47 2qs1 n ASP 79 Ca 0.15 -1.06 -0.19 0.00 0.71 0.00 0.00 54.79 54.39 2qs1 n ASP 79 Cb 0.20 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.84 -1.00 1.26 1.24 8.25 -0.58 -4.87 115.22 118.67 2qs1 n HIS 80 Ca 0.23 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.82 2qs1 n HIS 80 Cb 0.14 -3.74 0.35 0.00 1.12 0.00 0.00 29.99 27.86 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 -2.93 1.08 -3.84 -0.41 1.74 -0.27 -4.85 116.66 107.18 2qs1 n ARG 81 Ca -0.23 -0.68 -0.12 0.00 -0.77 0.00 0.00 57.85 56.05 2qs1 n ARG 81 Cb 0.67 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.39 -0.38 -0.04 7.54 0.00 -1.11 -4.92 121.76 120.46 2qs1 s ALA 82 Ca 0.26 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 2qs1 s ALA 82 Cb 0.19 -0.10 -0.27 0.00 0.00 0.00 0.00 23.12 22.94 2qs1 s ALA 82 CO 0.48 -0.14 0.68 -0.44 0.00 0.00 0.00 175.76 176.34 2qs1 h ASP 83 N 5.15 0.39 -4.64 0.00 3.32 -0.73 -3.41 116.42 116.51 2qs1 h ASP 83 Ca -0.28 -0.64 -0.32 0.00 0.02 0.00 0.00 57.03 55.81 2qs1 h ASP 83 Cb 1.20 -0.13 -0.22 0.00 0.22 0.00 0.00 39.33 40.40 2qs1 h ASP 83 CO 0.40 1.55 -0.75 -0.76 -1.72 0.00 0.00 179.24 177.97 2qs1 s LEU 84 N -6.93 2.25 -0.33 1.55 1.43 -1.02 -4.27 118.68 111.36 2qs1 s LEU 84 Ca -0.13 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 2qs1 s LEU 84 Cb 0.07 -0.28 0.05 0.00 0.03 0.00 0.00 46.19 46.06 2qs1 s LEU 84 CO 0.83 -0.15 0.07 0.00 0.23 0.00 0.00 176.35 177.32 2qs1 s ALA 85 N -1.28 2.95 -0.42 4.21 0.00 0.48 -0.59 121.76 127.11 2qs1 s ALA 85 Ca -0.07 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.06 2qs1 s ALA 85 Cb -0.10 -2.14 0.11 0.00 0.00 0.00 0.00 23.12 21.00 2qs1 s ALA 85 CO 0.01 -1.33 0.23 0.08 0.00 0.00 0.00 175.76 174.75 2qs1 s VAL 86 N 1.33 3.47 0.14 0.00 1.01 -0.88 -1.53 120.40 123.95 2qs1 s VAL 86 Ca -0.03 -2.01 -0.25 0.00 0.00 0.00 0.00 61.98 59.69 2qs1 s VAL 86 Cb -0.20 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.89 2qs1 s VAL 86 CO 0.01 -0.71 0.80 0.00 0.00 0.00 0.00 175.10 175.19 2qs1 s ALA 87 N 1.17 -1.59 -1.02 5.51 0.00 -1.26 -4.61 121.76 119.96 2qs1 s ALA 87 Ca 0.08 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 2qs1 s ALA 87 Cb -0.23 0.69 -0.09 0.00 0.00 0.00 0.00 23.12 23.49 2qs1 s ALA 87 CO -0.04 -0.88 2.02 -0.35 0.00 0.00 0.00 175.76 176.52 2qs1 n PRO 88 N -0.38 1.98 -3.76 0.00 -0.04 -1.26 -4.64 135.00 126.89 2qs1 n PRO 88 Ca -0.09 -2.14 -0.37 0.00 -0.04 0.00 0.00 63.50 60.85 2qs1 n PRO 88 Cb 0.62 -3.08 -0.13 0.00 -0.04 0.00 0.00 33.50 30.87 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 1.95 3.69 0.14 1.53 2.96 -1.26 -5.00 118.68 122.69 2qs1 s LEU 89 Ca 0.54 -0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 53.62 2qs1 s LEU 89 Cb 0.13 -1.89 -0.08 0.00 0.50 0.00 0.00 46.19 44.86 2qs1 s LEU 89 CO 0.05 -0.14 1.27 -0.89 -1.32 0.00 0.00 176.35 175.32 2qs1 s THR 90 N 1.54 3.55 -0.27 3.68 2.01 -1.26 -1.79 115.64 123.10 2qs1 s THR 90 Ca 0.04 1.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 2qs1 s THR 90 Cb -0.16 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2qs1 s THR 90 CO 0.03 0.14 1.52 -0.63 -0.69 0.00 0.00 174.62 174.99 2qs1 s ILE 91 N 0.57 3.82 0.10 1.82 1.01 0.19 -4.88 121.20 123.83 2qs1 s ILE 91 Ca 0.58 0.91 0.04 0.00 0.00 0.00 0.00 60.65 62.18 2qs1 s ILE 91 Cb -0.34 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2qs1 s ILE 91 CO 0.33 -0.39 -0.11 0.42 0.00 0.00 0.00 174.94 175.19 2qs1 s THR 92 N 5.12 1.02 0.17 2.92 -4.23 -1.26 -4.66 115.64 114.71 2qs1 s THR 92 Ca 0.67 -1.68 -0.20 0.00 -1.18 0.00 0.00 61.69 59.30 2qs1 s THR 92 Cb -0.21 -1.42 0.09 0.00 1.34 0.00 0.00 72.50 72.30 2qs1 s THR 92 CO 0.28 -0.55 1.63 0.22 -0.54 0.00 0.00 174.62 175.66 2qs1 h TYR 93 N 3.50 -0.58 -0.69 3.99 3.20 -1.99 -1.13 116.97 123.27 2qs1 h TYR 93 Ca -0.38 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.52 2qs1 h TYR 93 Cb 1.19 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.75 2qs1 h TYR 93 CO 0.64 -0.30 0.33 -0.24 -1.64 0.00 0.00 178.16 176.94 2qs1 h VAL 94 N -0.16 1.23 -0.20 1.81 3.04 -2.00 -2.62 116.25 117.36 2qs1 h VAL 94 Ca 0.19 -0.65 -0.11 0.00 -1.01 0.00 0.00 66.70 65.12 2qs1 h VAL 94 Cb 0.46 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 2qs1 h VAL 94 CO -0.50 0.27 -0.36 0.03 -1.01 0.00 0.00 177.57 176.01 2qs1 h ARG 95 N 0.96 0.42 0.00 4.17 3.08 -1.88 -2.60 114.38 118.53 2qs1 h ARG 95 Ca 0.24 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qs1 h ARG 95 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2qs1 h ARG 95 CO -0.03 0.72 0.00 0.93 -1.07 0.00 0.00 179.97 180.53 2qs1 h GLU 96 N 0.36 0.00 0.00 0.04 4.39 -0.83 -0.36 114.58 118.18 2qs1 h GLU 96 Ca 0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2qs1 h GLU 96 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2qs1 h GLU 96 CO 0.06 0.00 -0.00 0.87 -1.16 0.00 0.00 179.01 178.78 2qs1 h LYS 97 N 0.00 0.00 0.00 2.33 1.79 -1.31 -3.37 116.57 116.00 2qs1 h LYS 97 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2qs1 h LYS 97 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2qs1 h LYS 97 CO 0.00 0.00 -0.45 1.33 -1.08 0.00 0.00 179.45 179.25 2qs1 n VAL 98 N -3.10 0.00 -4.19 0.50 0.24 -0.48 -5.09 118.33 106.22 2qs1 n VAL 98 Ca 0.01 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.34 62.15 2qs1 n VAL 98 Cb 0.32 0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 32.99 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 -1.00 0.23 0.31 1.34 -4.36 -0.27 -4.39 121.20 113.05 2qs1 s ILE 99 Ca 0.00 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 58.51 2qs1 s ILE 99 Cb 0.00 -2.19 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 2qs1 s ILE 99 CO 0.00 -0.34 0.32 -1.81 0.24 0.00 0.00 174.94 173.35 2qs1 s ASP 100 N -3.11 5.58 0.00 4.36 1.01 -0.12 -4.15 116.67 120.24 2qs1 s ASP 100 Ca 0.28 -0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.21 2qs1 s ASP 100 Cb 0.07 -1.19 -0.00 0.00 1.01 0.00 0.00 42.92 42.81 2qs1 s ASP 100 CO 0.05 -0.29 -0.02 -0.36 0.21 0.00 0.00 175.17 174.76 2qs1 s PHE 101 N -2.22 0.15 0.98 4.23 0.40 -1.26 -0.89 117.98 119.37 2qs1 s PHE 101 Ca 0.40 -0.09 -0.11 0.00 -0.60 0.00 0.00 56.93 56.53 2qs1 s PHE 101 Cb -0.07 -0.10 0.18 0.00 0.51 0.00 0.00 43.02 43.54 2qs1 s PHE 101 CO 0.28 -0.03 1.11 -1.54 0.70 0.00 0.00 175.22 175.74 2qs1 s SER 102 N -0.24 2.42 0.81 1.36 1.04 0.13 -4.93 113.70 114.29 2qs1 s SER 102 Ca -0.02 1.98 -0.13 0.00 0.48 0.00 0.00 55.95 58.25 2qs1 s SER 102 Cb -0.02 -2.49 0.08 0.00 0.10 0.00 0.00 66.02 63.69 2qs1 s SER 102 CO -0.00 -3.38 1.15 0.29 0.98 0.00 0.00 173.24 172.28 2qs1 n LYS 103 N -4.40 0.16 -2.22 4.02 5.02 -1.26 -4.37 118.16 115.11 2qs1 n LYS 103 Ca 0.09 0.13 -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 -4.05 4.23 0.04 1.97 0.04 -1.26 -4.58 135.00 131.39 2qs1 s PRO 104 Ca 0.73 2.01 0.24 0.00 0.04 0.00 0.00 61.00 64.01 2qs1 s PRO 104 Cb -0.29 -2.90 0.33 0.00 0.04 0.00 0.00 34.50 31.68 2qs1 s PRO 104 CO 0.52 -0.22 1.28 1.97 0.04 0.00 0.00 177.00 180.59 2qs1 n PHE 105 N 0.49 0.19 -3.74 0.56 1.16 -0.34 -4.89 117.46 110.90 2qs1 n PHE 105 Ca 0.02 0.05 -0.13 0.00 -1.87 0.00 0.00 57.45 55.53 2qs1 n PHE 105 Cb 0.44 -0.37 -0.11 0.00 -1.61 0.00 0.00 39.48 37.83 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 -3.08 0.42 0.16 3.97 0.00 -1.23 -5.03 119.30 114.51 2qs1 s MET 106 Ca 0.08 0.56 0.10 0.00 0.00 0.00 0.00 55.69 56.44 2qs1 s MET 106 Cb 0.16 0.17 -0.04 0.00 0.00 0.00 0.00 34.83 35.11 2qs1 s MET 106 CO 0.74 -0.07 -0.22 0.95 0.00 0.00 0.00 175.02 176.41 2qs1 s THR 107 N 0.41 2.52 0.20 10.11 -4.23 -1.26 -1.17 115.64 122.22 2qs1 s THR 107 Ca -0.02 -1.79 -0.11 0.00 -1.18 0.00 0.00 61.69 58.59 2qs1 s THR 107 Cb -0.04 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.67 2qs1 s THR 107 CO -0.02 -0.01 0.55 0.00 -0.54 0.00 0.00 174.62 174.61 2qs1 n LEU 108 N 0.55 0.00 -3.66 4.79 -0.00 0.05 -4.96 117.00 113.77 2qs1 n LEU 108 Ca -0.15 -1.35 -0.05 0.00 -0.00 0.00 0.00 56.01 54.47 2qs1 n LEU 108 Cb 0.54 2.15 -0.02 0.00 -0.00 0.00 0.00 43.42 46.10 2qs1 n LEU 108 CO 0.28 -0.45 0.74 -0.83 -0.00 0.00 0.00 177.39 177.13 2qs1 s GLY 109 N -2.51 -0.32 0.32 1.47 0.00 -1.26 -1.71 107.32 103.31 2qs1 s GLY 109 Ca 0.12 0.48 -0.29 0.00 0.00 0.00 0.00 44.72 45.03 2qs1 s GLY 109 CO 0.06 0.13 1.44 -0.42 0.00 0.00 0.00 173.10 174.31 2qs1 s ILE 110 N -3.16 2.39 0.04 0.90 1.01 -1.26 0.03 121.20 121.15 2qs1 s ILE 110 Ca 0.10 0.36 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 2qs1 s ILE 110 Cb -0.01 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.23 2qs1 s ILE 110 CO -0.02 0.08 0.05 -0.24 0.00 0.00 0.00 174.94 174.81 2qs1 n SER 111 N 1.26 -0.14 -4.31 3.58 2.88 -0.71 0.96 113.62 117.14 2qs1 n SER 111 Ca 0.03 -1.21 -0.32 0.00 -1.33 0.00 0.00 58.87 56.04 2qs1 n SER 111 Cb 0.40 0.26 -0.15 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.43 2.60 -0.23 2.46 1.01 -1.23 -2.55 121.20 120.83 2qs1 s ILE 112 Ca 0.03 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 2qs1 s ILE 112 Cb -0.00 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2qs1 s ILE 112 CO 0.02 0.55 0.09 -0.22 0.00 0.00 0.00 174.94 175.37 2qs1 s LEU 113 N 0.23 3.63 0.34 2.97 2.96 0.75 -0.45 118.68 129.11 2qs1 s LEU 113 Ca -0.12 -0.10 -0.13 0.00 -0.22 0.00 0.00 54.13 53.57 2qs1 s LEU 113 Cb -0.16 -1.96 0.03 0.00 0.50 0.00 0.00 46.19 44.59 2qs1 s LEU 113 CO 0.06 0.02 0.65 -0.47 -1.32 0.00 0.00 176.35 175.30 2qs1 s TYR 114 N 1.28 0.33 0.55 5.38 5.04 -0.86 -1.35 117.35 127.73 2qs1 s TYR 114 Ca 0.05 -0.82 -0.16 0.00 -2.44 0.00 0.00 57.07 53.70 2qs1 s TYR 114 Cb -0.15 0.49 -0.06 0.00 0.35 0.00 0.00 41.96 42.60 2qs1 s TYR 114 CO 0.04 -1.32 1.03 0.50 -1.34 0.00 0.00 175.55 174.46 2qs1 s ARG 115 N -3.04 3.61 0.65 4.97 6.06 -1.26 -0.50 118.95 129.45 2qs1 s ARG 115 Ca 0.19 1.12 -0.14 0.00 -2.50 0.00 0.00 55.73 54.40 2qs1 s ARG 115 Cb -0.03 -2.08 -0.01 0.00 0.06 0.00 0.00 34.95 32.89 2qs1 s ARG 115 CO 0.12 -0.56 1.08 0.15 -2.50 0.00 0.00 175.30 173.59 2qs1 s LYS 116 N -4.00 2.95 -0.26 5.12 1.02 -0.93 -4.50 119.74 119.13 2qs1 s LYS 116 Ca 0.62 1.22 -0.00 0.00 0.02 0.00 0.00 55.97 57.83 2qs1 s LYS 116 Cb -0.14 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2qs1 s LYS 116 CO 0.33 -1.11 0.22 0.41 -0.92 0.00 0.00 175.35 174.28 2qs1 n GLY 117 N -1.03 0.30 2.87 -3.33 0.00 -1.26 -5.06 105.19 97.68 2qs1 n GLY 117 Ca 0.09 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2qs1 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qs1 s THR 118 N -3.08 0.03 0.06 2.61 2.01 -1.26 -5.03 115.64 110.97 2qs1 s THR 118 Ca 0.01 -0.01 0.20 0.00 0.31 0.00 0.00 61.69 62.20 2qs1 s THR 118 Cb -0.01 -0.04 0.20 0.00 0.01 0.00 0.00 72.50 72.67 2qs1 s THR 118 CO 0.16 0.01 1.56 1.55 -0.69 0.00 0.00 174.62 177.21 2qs1 h PRO 119 N 6.19 0.00 -6.47 4.92 0.13 -1.98 -3.43 132.00 131.37 2qs1 h PRO 119 Ca -0.25 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.35 2qs1 h PRO 119 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 2qs1 h PRO 119 CO 0.51 0.00 0.96 0.42 -0.23 0.00 0.00 178.00 179.66 2qs1 s ILE 120 N -3.54 3.03 0.00 -3.56 -1.09 -1.26 -4.88 121.20 109.90 2qs1 s ILE 120 Ca -0.02 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 2qs1 s ILE 120 Cb 0.06 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 2qs1 s ILE 120 CO 0.18 0.01 0.11 -0.67 -1.23 0.00 0.00 174.94 173.33 2qs1 n ASP 121 N 5.31 0.21 -3.43 3.58 2.03 -1.26 -4.88 116.55 118.11 2qs1 n ASP 121 Ca 0.15 -0.87 -0.05 0.00 0.52 0.00 0.00 54.79 54.54 2qs1 n ASP 121 Cb 0.40 0.04 0.01 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.04 -0.08 0.39 1.67 1.04 -1.26 -3.18 113.70 112.24 2qs1 s SER 122 Ca 0.00 -0.72 0.15 0.00 0.48 0.00 0.00 55.95 55.86 2qs1 s SER 122 Cb 0.00 0.63 0.79 0.00 0.10 0.00 0.00 66.02 67.54 2qs1 s SER 122 CO 0.00 -1.21 1.84 0.00 0.98 0.00 0.00 173.24 174.85 2qs1 h ALA 123 N 2.00 1.31 -0.49 5.32 0.00 -1.97 -2.85 119.26 122.58 2qs1 h ALA 123 Ca -0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2qs1 h ALA 123 Cb 1.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2qs1 h ALA 123 CO 0.32 0.44 0.27 -0.44 0.00 0.00 0.00 179.25 179.84 2qs1 h ASP 124 N 0.00 0.60 0.03 0.00 3.32 -1.95 -0.53 116.42 117.89 2qs1 h ASP 124 Ca -0.00 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 2qs1 h ASP 124 Cb 0.66 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2qs1 h ASP 124 CO 0.05 0.48 -0.37 0.44 -1.72 0.00 0.00 179.24 178.12 2qs1 h ASP 125 N 0.68 0.47 0.73 6.45 5.19 -1.90 -3.01 116.42 125.03 2qs1 h ASP 125 Ca 0.18 -0.19 -0.25 0.00 -0.62 0.00 0.00 57.03 56.14 2qs1 h ASP 125 Cb 0.02 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 2qs1 h ASP 125 CO -0.03 0.80 -1.14 -0.07 -3.12 0.00 0.00 179.24 175.69 2qs1 h LEU 126 N 0.38 0.29 -0.64 1.55 3.38 -1.49 -3.35 115.31 115.44 2qs1 h LEU 126 Ca 0.04 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 2qs1 h LEU 126 Cb 0.82 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2qs1 h LEU 126 CO 0.07 1.22 0.09 0.00 0.09 0.00 0.00 178.44 179.91 2qs1 h ALA 127 N 0.74 0.86 -0.52 1.53 0.00 -1.03 -3.15 119.26 117.68 2qs1 h ALA 127 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qs1 h ALA 127 Cb 1.87 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2qs1 h ALA 127 CO 0.18 0.63 0.00 0.36 0.00 0.00 0.00 179.25 180.42 2qs1 n LYS 128 N -4.24 2.21 -4.37 0.00 2.85 -1.14 -4.87 118.16 108.60 2qs1 n LYS 128 Ca 0.04 -1.88 -0.19 0.00 -1.05 0.00 0.00 58.31 55.23 2qs1 n LYS 128 Cb 0.30 -1.41 -0.10 0.00 -0.65 0.00 0.00 35.03 33.17 2qs1 n LYS 128 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2qs1 s GLN 129 N -1.30 1.42 -0.05 -1.58 1.03 -1.19 -5.07 119.66 112.91 2qs1 s GLN 129 Ca 0.35 -1.70 0.05 0.00 0.04 0.00 0.00 55.36 54.10 2qs1 s GLN 129 Cb 0.18 -0.96 -0.07 0.00 0.03 0.00 0.00 33.01 32.19 2qs1 s GLN 129 CO 0.24 0.03 0.04 2.41 -2.54 0.00 0.00 175.29 175.46 2qs1 n THR 130 N -0.47 0.31 -0.23 3.63 -1.04 -1.26 -4.78 114.28 110.43 2qs1 n THR 130 Ca -0.06 -0.21 -0.06 0.00 -2.04 0.00 0.00 64.05 61.68 2qs1 n THR 130 Cb 0.63 -0.65 0.04 0.00 -1.82 0.00 0.00 70.33 68.53 2qs1 n THR 130 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2qs1 h LYS 131 N 0.00 0.86 -5.41 -2.82 1.79 -1.97 -3.40 116.57 105.62 2qs1 h LYS 131 Ca -0.12 -0.06 -0.61 0.00 -2.18 0.00 0.00 60.65 57.68 2qs1 h LYS 131 Cb 1.15 -0.19 -0.12 0.00 -1.58 0.00 0.00 32.23 31.50 2qs1 h LYS 131 CO 0.01 0.59 -0.09 0.42 -1.08 0.00 0.00 179.45 179.30 2qs1 s ILE 132 N -6.08 5.12 0.19 1.86 1.01 -1.26 -5.04 121.20 117.00 2qs1 s ILE 132 Ca -0.13 0.83 -0.28 0.00 0.00 0.00 0.00 60.65 61.08 2qs1 s ILE 132 Cb 0.14 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 2qs1 s ILE 132 CO 0.77 0.16 0.86 -1.61 0.00 0.00 0.00 174.94 175.12 2qs1 s GLU 133 N 1.85 4.70 -0.03 2.79 0.41 -1.11 -4.94 118.70 122.37 2qs1 s GLU 133 Ca 0.21 1.32 -0.07 0.00 -0.41 0.00 0.00 54.97 56.02 2qs1 s GLU 133 Cb -0.15 -3.28 0.01 0.00 -1.78 0.00 0.00 34.13 28.92 2qs1 s GLU 133 CO 0.09 0.51 0.15 1.52 -0.49 0.00 0.00 175.26 177.04 2qs1 s TYR 134 N -1.03 -0.06 0.00 1.61 -0.85 -1.26 -0.89 117.35 114.87 2qs1 s TYR 134 Ca 0.39 0.12 0.00 0.00 -0.52 0.00 0.00 57.07 57.06 2qs1 s TYR 134 Cb -0.24 0.00 0.00 0.00 0.38 0.00 0.00 41.96 42.10 2qs1 s TYR 134 CO 0.29 -0.20 0.00 0.41 -1.52 0.00 0.00 175.55 174.53 2qs1 n GLY 135 N 2.11 2.17 3.42 5.49 0.00 -1.03 -4.69 105.19 112.65 2qs1 n GLY 135 Ca -0.18 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.23 -1.94 4.61 0.00 -1.25 -0.84 120.51 117.85 2qs1 n ALA 136 Ca 0.00 -1.69 -0.41 0.00 0.00 0.00 0.00 53.44 51.34 2qs1 n ALA 136 Cb 0.00 1.36 -0.04 0.00 0.00 0.00 0.00 19.45 20.77 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 -2.88 3.62 0.29 0.00 1.01 -1.26 -1.45 120.40 119.72 2qs1 s VAL 137 Ca 0.31 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 2qs1 s VAL 137 Cb -0.01 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 2qs1 s VAL 137 CO 0.22 0.29 1.53 -0.60 0.00 0.00 0.00 175.10 176.53 2qs1 s ARG 138 N -0.76 4.18 -1.67 2.72 3.52 0.12 -2.92 118.95 124.14 2qs1 s ARG 138 Ca 0.49 2.48 0.00 0.00 -0.13 0.00 0.00 55.73 58.56 2qs1 s ARG 138 Cb -0.31 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 2qs1 s ARG 138 CO 0.38 -0.54 0.00 -0.25 -0.81 0.00 0.00 175.30 174.08 2qs1 n ASP 139 N 2.06 -4.63 -4.38 -2.12 8.00 -1.26 -4.97 116.55 109.26 2qs1 n ASP 139 Ca 0.07 0.30 -0.20 0.00 0.71 0.00 0.00 54.79 55.67 2qs1 n ASP 139 Cb 0.39 -4.08 0.09 0.00 -0.02 0.00 0.00 41.12 37.50 2qs1 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qs1 n GLY 140 N -0.52 1.03 0.21 0.44 0.00 -1.15 -4.92 105.19 100.27 2qs1 n GLY 140 Ca -0.18 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.69 2qs1 n GLY 140 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qs1 h SER 141 N -0.36 0.57 -0.50 1.61 4.64 -1.93 -1.79 113.55 115.78 2qs1 h SER 141 Ca -0.28 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.95 2qs1 h SER 141 Cb 1.10 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 2qs1 h SER 141 CO 0.33 0.41 0.01 0.74 -0.87 0.00 0.00 176.83 177.44 2qs1 h THR 142 N 0.67 1.26 -0.30 2.95 2.02 -1.91 -1.54 112.91 116.06 2qs1 h THR 142 Ca 0.18 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 2qs1 h THR 142 Cb -0.08 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2qs1 h THR 142 CO -0.04 0.38 0.16 -0.03 0.37 0.00 0.00 175.52 176.36 2qs1 h MET 143 N 0.75 0.42 -0.53 6.66 -1.53 -1.74 -2.43 114.93 116.53 2qs1 h MET 143 Ca 0.14 -0.05 0.02 0.00 -3.44 0.00 0.00 59.70 56.37 2qs1 h MET 143 Cb 0.51 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.45 2qs1 h MET 143 CO 0.02 0.37 0.35 1.15 0.14 0.00 0.00 176.91 178.94 2qs1 h THR 144 N 0.36 1.09 0.32 -0.77 2.02 -1.12 -0.85 112.91 113.95 2qs1 h THR 144 Ca 0.10 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2qs1 h THR 144 Cb 0.07 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2qs1 h THR 144 CO -0.02 0.12 -0.15 0.15 0.37 0.00 0.00 175.52 175.99 2qs1 h PHE 145 N 0.64 -0.40 -0.49 3.16 3.57 -1.06 -2.78 116.94 119.59 2qs1 h PHE 145 Ca 0.21 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2qs1 h PHE 145 Cb 0.03 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2qs1 h PHE 145 CO -0.00 -0.16 0.23 0.74 -2.23 0.00 0.00 178.31 176.89 2qs1 h PHE 146 N -0.57 0.67 -0.66 0.41 -1.00 -0.94 -1.20 116.94 113.65 2qs1 h PHE 146 Ca -0.04 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.64 2qs1 h PHE 146 Cb 0.42 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 2qs1 h PHE 146 CO -0.02 0.50 0.12 -0.22 -1.61 0.00 0.00 178.31 177.08 2qs1 h LYS 147 N 0.68 1.08 0.00 1.51 3.64 -1.19 -3.13 116.57 119.17 2qs1 h LYS 147 Ca 0.17 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2qs1 h LYS 147 Cb 0.08 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2qs1 h LYS 147 CO -0.02 0.98 -0.55 0.87 -2.27 0.00 0.00 179.45 178.47 2qs1 h LYS 148 N 1.02 0.00 -7.00 1.90 1.79 -1.15 -3.48 116.57 109.65 2qs1 h LYS 148 Ca 0.20 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.13 2qs1 h LYS 148 Cb 0.42 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.20 2qs1 h LYS 148 CO 0.01 0.09 0.66 0.45 -1.08 0.00 0.00 179.45 179.58 2qs1 n SER 149 N -2.95 3.06 0.00 0.86 2.88 -0.50 -4.94 113.62 112.03 2qs1 n SER 149 Ca 0.01 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 2qs1 n SER 149 Cb 0.59 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 2qs1 n SER 149 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qs1 n LYS 150 N -0.52 1.66 -2.53 -1.46 4.76 -1.26 -4.72 118.16 114.10 2qs1 n LYS 150 Ca 0.07 -1.13 -0.42 0.00 -2.87 0.00 0.00 58.31 53.96 2qs1 n LYS 150 Cb 0.43 -0.96 -0.03 0.00 -1.84 0.00 0.00 35.03 32.62 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 -0.65 4.20 0.17 -0.18 1.01 -1.26 -4.94 121.20 119.56 2qs1 s ILE 151 Ca 0.00 1.67 -0.28 0.00 0.00 0.00 0.00 60.65 62.04 2qs1 s ILE 151 Cb 0.00 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 2qs1 s ILE 151 CO 0.00 0.18 1.54 -1.28 0.00 0.00 0.00 174.94 175.39 2qs1 h SER 152 N 6.24 -1.97 0.33 3.58 0.87 -2.00 -1.64 113.55 118.96 2qs1 h SER 152 Ca -0.42 0.32 -0.12 0.00 -1.23 0.00 0.00 61.79 60.34 2qs1 h SER 152 Cb 1.21 0.90 -0.01 0.00 -0.44 0.00 0.00 62.40 64.06 2qs1 h SER 152 CO 0.77 -0.26 -0.48 0.00 -0.53 0.00 0.00 176.83 176.33 2qs1 h THR 153 N -0.03 1.34 0.00 2.23 1.03 -2.01 -3.05 112.91 112.42 2qs1 h THR 153 Ca 0.19 -1.69 -0.01 0.00 -0.01 0.00 0.00 66.41 64.89 2qs1 h THR 153 Cb 0.47 1.83 -0.00 0.00 -1.07 0.00 0.00 68.15 69.37 2qs1 h THR 153 CO -0.92 0.50 -0.21 1.88 -0.01 0.00 0.00 175.52 176.76 2qs1 h TYR 154 N 0.15 0.00 -0.31 0.00 0.99 -1.80 -2.72 116.97 113.28 2qs1 h TYR 154 Ca 0.01 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.60 2qs1 h TYR 154 Cb 0.91 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.64 2qs1 h TYR 154 CO 0.01 0.03 -0.36 0.93 -0.00 0.00 0.00 178.16 178.77 2qs1 h GLU 155 N 0.00 0.78 -0.11 4.88 5.08 -1.22 -2.05 114.58 121.95 2qs1 h GLU 155 Ca -0.00 -0.43 -0.11 0.00 -1.00 0.00 0.00 59.36 57.81 2qs1 h GLU 155 Cb 1.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2qs1 h GLU 155 CO 0.00 1.06 -0.43 -0.22 -1.00 0.00 0.00 179.01 178.42 2qs1 h LYS 156 N 0.55 0.25 -0.25 2.33 3.64 -1.53 -2.57 116.57 118.98 2qs1 h LYS 156 Ca 0.04 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 2qs1 h LYS 156 Cb 0.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2qs1 h LYS 156 CO 0.09 0.64 -0.43 0.52 -2.27 0.00 0.00 179.45 178.00 2qs1 h MET 157 N 0.21 0.62 -0.18 1.90 2.86 -1.45 -3.00 114.93 115.89 2qs1 h MET 157 Ca 0.02 -0.33 -0.10 0.00 -2.06 0.00 0.00 59.70 57.23 2qs1 h MET 157 Cb 0.85 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2qs1 h MET 157 CO 0.07 0.93 -0.30 2.35 1.06 0.00 0.00 176.91 181.02 2qs1 h TRP 158 N 0.51 0.40 -0.91 -0.22 -0.00 -1.19 -2.62 115.95 111.91 2qs1 h TRP 158 Ca 0.04 -0.09 0.01 0.00 -0.00 0.00 0.00 58.89 58.84 2qs1 h TRP 158 Cb 0.95 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 2qs1 h TRP 158 CO 0.04 0.63 0.59 0.00 -0.00 0.00 0.00 178.44 179.70 2qs1 h ALA 159 N 1.37 1.15 0.00 2.65 0.00 -1.36 0.30 119.26 123.37 2qs1 h ALA 159 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qs1 h ALA 159 Cb 0.69 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qs1 h ALA 159 CO 0.05 0.57 0.00 0.35 0.00 0.00 0.00 179.25 180.22 2qs1 h PHE 160 N 1.24 0.00 0.02 0.00 3.57 -1.34 -1.49 116.94 118.94 2qs1 h PHE 160 Ca 0.33 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.48 2qs1 h PHE 160 Cb -0.12 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 2qs1 h PHE 160 CO -0.01 0.00 -2.18 -1.33 -2.23 0.00 0.00 178.31 172.57 2qs1 n MET 161 N -2.76 0.68 -0.10 1.11 2.81 -0.68 -4.02 117.12 114.16 2qs1 n MET 161 Ca 0.01 0.16 -0.17 0.00 -1.81 0.00 0.00 57.70 55.89 2qs1 n MET 161 Cb 0.28 -1.62 -0.08 0.00 -0.71 0.00 0.00 33.22 31.09 2qs1 n MET 161 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2qs1 n SER 162 N -3.10 1.86 0.06 7.83 3.41 0.96 -3.70 113.62 120.94 2qs1 n SER 162 Ca -0.32 0.47 -0.08 0.00 -0.26 0.00 0.00 58.87 58.68 2qs1 n SER 162 Cb 1.07 -0.91 0.06 0.00 -0.26 0.00 0.00 64.21 64.17 2qs1 n SER 162 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2qs1 h SER 163 N -1.00 0.39 -2.16 4.04 4.64 -1.48 -3.07 113.55 114.91 2qs1 h SER 163 Ca -0.26 -0.24 -0.80 0.00 -0.47 0.00 0.00 61.79 60.01 2qs1 h SER 163 Cb 1.08 -0.11 -0.26 0.00 -0.31 0.00 0.00 62.40 62.80 2qs1 h SER 163 CO -0.16 0.95 1.13 -1.14 -0.87 0.00 0.00 176.83 176.74 2qs1 n ARG 164 N -3.85 5.26 -0.10 4.77 0.00 -1.20 -4.83 116.66 116.71 2qs1 n ARG 164 Ca -0.03 -4.52 -0.10 0.00 -0.00 0.00 0.00 57.85 53.19 2qs1 n ARG 164 Cb 0.67 -2.47 0.03 0.00 0.00 0.00 0.00 32.46 30.69 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 4.17 0.85 0.00 -0.14 -0.00 -1.61 -3.37 115.11 115.01 2qs1 h GLN 165 Ca 0.55 -0.40 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 2qs1 h GLN 165 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.78 2qs1 h GLN 165 CO 1.21 1.04 0.00 0.94 0.00 0.00 0.00 178.83 182.02 2qs1 n GLN 166 N -4.08 0.00 -1.93 1.69 0.00 -1.26 -3.49 117.38 108.31 2qs1 n GLN 166 Ca -0.01 0.49 -0.37 0.00 -0.00 0.00 0.00 57.00 57.11 2qs1 n GLN 166 Cb 0.49 -1.35 -0.01 0.00 0.00 0.00 0.00 30.24 29.37 2qs1 n GLN 166 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2qs1 n SER 167 N -1.79 7.66 0.16 1.69 3.41 -1.26 -4.33 113.62 119.16 2qs1 n SER 167 Ca 0.00 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 2qs1 n SER 167 Cb 0.00 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 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 1.38 2.30 -2.24 7.33 0.00 -1.23 -4.72 120.51 123.33 2qs1 n ALA 168 Ca 0.58 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.71 2qs1 n ALA 168 Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 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 -6.82 3.98 0.29 0.00 1.43 -1.24 -3.79 118.68 112.54 2qs1 s LEU 169 Ca 0.00 1.10 0.07 0.00 -1.03 0.00 0.00 54.13 54.27 2qs1 s LEU 169 Cb 0.00 -3.93 -0.06 0.00 0.03 0.00 0.00 46.19 42.23 2qs1 s LEU 169 CO 0.00 -0.26 -0.06 0.68 0.23 0.00 0.00 176.35 176.94 2qs1 s VAL 170 N -2.13 1.71 0.04 -1.59 -7.23 -0.53 -4.92 120.40 105.75 2qs1 s VAL 170 Ca 0.51 -2.13 -0.18 0.00 -1.81 0.00 0.00 61.98 58.36 2qs1 s VAL 170 Cb -0.10 -2.48 -0.18 0.00 0.56 0.00 0.00 36.38 34.17 2qs1 s VAL 170 CO 0.25 -0.28 1.23 0.50 -0.31 0.00 0.00 175.10 176.48 2qs1 h LYS 171 N 2.24 0.50 -3.67 4.82 3.64 -1.95 0.38 116.57 122.54 2qs1 h LYS 171 Ca -0.40 -0.41 -0.16 0.00 -1.27 0.00 0.00 60.65 58.41 2qs1 h LYS 171 Cb 1.24 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 2qs1 h LYS 171 CO 0.68 1.04 -0.01 0.54 -2.27 0.00 0.00 179.45 179.42 2qs1 s ASN 172 N -6.64 0.50 0.15 4.20 2.20 -1.26 -4.56 114.94 109.53 2qs1 s ASN 172 Ca -0.13 -1.31 -0.22 0.00 -0.94 0.00 0.00 52.86 50.26 2qs1 s ASN 172 Cb 0.05 0.73 0.03 0.00 -2.00 0.00 0.00 41.25 40.06 2qs1 s ASN 172 CO 0.82 -1.43 1.63 0.28 -2.94 0.00 0.00 177.10 175.46 2qs1 h SER 173 N 2.08 -0.81 -0.55 3.54 0.02 -2.00 -2.35 113.55 113.48 2qs1 h SER 173 Ca -0.29 0.15 0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2qs1 h SER 173 Cb 1.24 0.38 -0.08 0.00 0.14 0.00 0.00 62.40 64.08 2qs1 h SER 173 CO 0.39 -0.29 0.06 0.44 -1.14 0.00 0.00 176.83 176.29 2qs1 h ASP 174 N -0.25 -0.11 -0.13 3.07 3.32 -2.00 -1.75 116.42 118.58 2qs1 h ASP 174 Ca 0.14 0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 2qs1 h ASP 174 Cb 0.47 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2qs1 h ASP 174 CO -0.41 -0.03 -0.30 -0.08 -1.72 0.00 0.00 179.24 176.70 2qs1 h GLU 175 N 0.19 0.61 -0.30 3.56 4.81 -1.94 -2.31 114.58 119.19 2qs1 h GLU 175 Ca 0.28 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2qs1 h GLU 175 Cb 0.42 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2qs1 h GLU 175 CO -0.41 0.84 0.13 0.78 -0.73 0.00 0.00 179.01 179.61 2qs1 h GLY 176 N 1.01 0.48 1.18 1.92 0.00 -0.79 -0.45 103.07 106.42 2qs1 h GLY 176 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 2qs1 h GLY 176 CO 0.06 0.24 0.06 -2.22 0.00 0.00 0.00 176.54 174.68 2qs1 h ILE 177 N 0.34 1.26 -0.93 2.60 2.04 -1.38 -2.25 117.51 119.20 2qs1 h ILE 177 Ca 0.10 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 64.98 2qs1 h ILE 177 Cb 0.16 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2qs1 h ILE 177 CO -0.01 0.38 0.59 -0.61 0.00 0.00 0.00 178.15 178.50 2qs1 h GLN 178 N 0.93 1.07 -0.47 2.37 5.75 -1.14 -2.11 115.11 121.50 2qs1 h GLN 178 Ca 0.18 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 2qs1 h GLN 178 Cb 0.46 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 2qs1 h GLN 178 CO 0.02 0.71 -0.04 0.00 -2.65 0.00 0.00 178.83 176.86 2qs1 h ARG 179 N 1.10 0.82 -0.42 1.69 2.47 -0.63 -1.61 114.38 117.79 2qs1 h ARG 179 Ca 0.39 -0.24 -0.10 0.00 -1.26 0.00 0.00 59.98 58.76 2qs1 h ARG 179 Cb 0.11 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2qs1 h ARG 179 CO -0.15 0.85 -0.14 0.28 0.56 0.00 0.00 179.97 181.37 2qs1 h VAL 180 N 0.75 1.28 -0.04 2.04 2.07 -0.96 -1.38 116.25 120.01 2qs1 h VAL 180 Ca 0.14 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 2qs1 h VAL 180 Cb 0.52 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2qs1 h VAL 180 CO 0.03 0.42 -0.11 -0.07 0.02 0.00 0.00 177.57 177.86 2qs1 h LEU 181 N 0.66 0.16 0.24 2.57 3.38 -1.35 -3.38 115.31 117.60 2qs1 h LEU 181 Ca 0.10 -0.61 -0.34 0.00 0.09 0.00 0.00 57.88 57.12 2qs1 h LEU 181 Cb 0.68 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.42 2qs1 h LEU 181 CO 0.05 0.74 -1.52 0.71 0.09 0.00 0.00 178.44 178.51 2qs1 h THR 182 N -0.41 1.23 -1.65 0.22 1.35 -1.37 -3.47 112.91 108.81 2qs1 h THR 182 Ca -0.00 -2.68 -0.60 0.00 -0.55 0.00 0.00 66.41 62.57 2qs1 h THR 182 Cb 0.73 3.00 -0.11 0.00 -1.73 0.00 0.00 68.15 70.04 2qs1 h THR 182 CO 0.02 0.82 -0.56 0.42 -0.25 0.00 0.00 175.52 175.98 2qs1 s THR 183 N -2.60 2.17 -1.33 6.82 -4.23 -0.52 -5.04 115.64 110.90 2qs1 s THR 183 Ca -0.10 -1.87 -0.17 0.00 -1.18 0.00 0.00 61.69 58.37 2qs1 s THR 183 Cb 0.04 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.94 2qs1 s THR 183 CO 0.93 -0.01 1.93 -0.67 -0.54 0.00 0.00 174.62 176.26 2qs1 n ASP 184 N -1.08 4.38 -4.11 3.99 2.03 -1.26 -4.37 116.55 116.14 2qs1 n ASP 184 Ca -0.03 -2.87 -0.20 0.00 0.52 0.00 0.00 54.79 52.21 2qs1 n ASP 184 Cb 0.66 -1.70 -0.14 0.00 -0.72 0.00 0.00 41.12 39.22 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 4.21 1.10 -0.12 -0.67 5.04 -1.26 -2.77 117.35 122.89 2qs1 s TYR 185 Ca 0.52 -0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 2qs1 s TYR 185 Cb 0.08 -0.67 -0.01 0.00 0.35 0.00 0.00 41.96 41.71 2qs1 s TYR 185 CO 0.02 0.01 -0.17 0.00 -1.34 0.00 0.00 175.55 174.07 2qs1 s ALA 186 N -0.66 2.44 -0.18 3.97 0.00 -0.07 -4.32 121.76 122.94 2qs1 s ALA 186 Ca 0.02 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 2qs1 s ALA 186 Cb -0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2qs1 s ALA 186 CO 0.01 0.25 0.07 -1.17 0.00 0.00 0.00 175.76 174.92 2qs1 s LEU 187 N 0.37 3.90 -0.25 0.00 2.96 -0.45 -2.47 118.68 122.74 2qs1 s LEU 187 Ca -0.14 0.13 -0.12 0.00 -0.22 0.00 0.00 54.13 53.78 2qs1 s LEU 187 Cb -0.17 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 2qs1 s LEU 187 CO 0.07 0.20 0.25 -0.76 -1.32 0.00 0.00 176.35 174.79 2qs1 s LEU 188 N 0.21 4.08 0.31 -0.68 2.01 -0.02 -0.18 118.68 124.41 2qs1 s LEU 188 Ca 0.05 0.19 -0.19 0.00 0.01 0.00 0.00 54.13 54.19 2qs1 s LEU 188 Cb -0.12 -2.25 0.05 0.00 0.01 0.00 0.00 46.19 43.88 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 1.50 1.90 0.23 1.70 0.23 -1.06 -4.49 119.30 119.32 2qs1 s MET 189 Ca 0.11 -1.18 -0.32 0.00 -1.03 0.00 0.00 55.69 53.27 2qs1 s MET 189 Cb -0.15 0.56 -0.13 0.00 -1.53 0.00 0.00 34.83 33.59 2qs1 s MET 189 CO 0.08 -0.89 1.58 0.39 -2.03 0.00 0.00 175.02 174.16 2qs1 n GLU 190 N -0.54 2.45 0.26 3.16 1.02 -1.26 -1.73 120.64 124.00 2qs1 n GLU 190 Ca -0.06 0.88 0.09 0.00 -0.02 0.00 0.00 57.16 58.05 2qs1 n GLU 190 Cb 0.60 -2.65 0.67 0.00 -0.02 0.00 0.00 31.44 30.04 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 5.43 0.00 -0.16 1.62 4.64 -0.72 -1.59 113.55 122.77 2qs1 h SER 191 Ca -0.45 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 2qs1 h SER 191 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2qs1 h SER 191 CO 0.85 0.00 0.04 0.71 -0.87 0.00 0.00 176.83 177.56 2qs1 h THR 192 N 0.00 0.95 -0.72 2.95 1.35 -1.90 -0.21 112.91 115.34 2qs1 h THR 192 Ca 0.01 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2qs1 h THR 192 Cb 0.03 0.82 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 2qs1 h THR 192 CO -0.00 0.02 0.43 -1.28 -0.25 0.00 0.00 175.52 174.44 2qs1 h SER 193 N 0.12 0.86 -0.45 5.36 0.87 -1.67 -2.24 113.55 116.40 2qs1 h SER 193 Ca 0.07 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2qs1 h SER 193 Cb 0.05 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 2qs1 h SER 193 CO -0.08 0.67 0.28 0.40 -0.53 0.00 0.00 176.83 177.57 2qs1 h ILE 194 N 0.98 1.08 -0.80 2.23 2.04 -1.11 -1.85 117.51 120.07 2qs1 h ILE 194 Ca 0.26 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.95 2qs1 h ILE 194 Cb -0.03 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 2qs1 h ILE 194 CO -0.05 0.10 0.52 -0.33 0.00 0.00 0.00 178.15 178.39 2qs1 h GLU 195 N 0.57 0.99 -0.86 2.37 5.08 -0.85 -0.70 114.58 121.18 2qs1 h GLU 195 Ca 0.17 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2qs1 h GLU 195 Cb -0.03 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 2qs1 h GLU 195 CO -0.06 0.65 0.45 -0.92 -1.00 0.00 0.00 179.01 178.14 2qs1 h TYR 196 N 1.02 1.20 -0.10 4.33 3.20 -1.03 -2.33 116.97 123.25 2qs1 h TYR 196 Ca 0.31 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 2qs1 h TYR 196 Cb -0.02 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 37.87 2qs1 h TYR 196 CO -0.03 0.84 -0.22 0.28 -1.64 0.00 0.00 178.16 177.40 2qs1 h VAL 197 N 1.21 1.39 -0.06 1.81 2.07 -0.92 -3.28 116.25 118.47 2qs1 h VAL 197 Ca 0.30 -1.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 2qs1 h VAL 197 Cb 0.06 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2qs1 h VAL 197 CO -0.04 0.44 -0.30 0.71 0.02 0.00 0.00 177.57 178.39 2qs1 h THR 198 N -0.12 1.24 0.00 2.57 1.35 -1.07 0.96 112.91 117.83 2qs1 h THR 198 Ca 0.00 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.73 2qs1 h THR 198 Cb 0.81 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2qs1 h THR 198 CO 0.05 0.33 -0.06 1.56 -0.25 0.00 0.00 175.52 177.15 2qs1 h GLN 199 N 0.09 0.00 0.00 4.72 1.08 -1.50 -3.21 115.11 116.30 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 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2qs1 h GLN 199 CO 0.04 0.06 -1.16 0.54 -0.95 0.00 0.00 178.83 177.36 2qs1 n ARG 200 N -3.90 1.45 -3.81 1.46 1.74 -0.39 -3.96 116.66 109.26 2qs1 n ARG 200 Ca -0.03 -0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 56.69 2qs1 n ARG 200 Cb 0.15 -1.22 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.95 4.10 0.00 0.55 -0.87 0.19 -4.99 114.94 110.98 2qs1 s ASN 201 Ca -0.00 -2.17 0.14 0.00 -1.57 0.00 0.00 52.86 49.26 2qs1 s ASN 201 Cb 0.09 -1.14 0.61 0.00 -0.02 0.00 0.00 41.25 40.79 2qs1 s ASN 201 CO 0.55 -0.35 1.45 0.00 -2.57 0.00 0.00 177.10 176.18 2qs1 n ASN 203 N -1.49 0.34 -4.63 0.00 3.02 -1.26 -4.91 115.26 106.33 2qs1 n ASN 203 Ca 0.04 -0.07 -0.30 0.00 -0.03 0.00 0.00 54.58 54.21 2qs1 n ASN 203 Cb 0.16 -0.08 -0.09 0.00 -0.61 0.00 0.00 39.78 39.17 2qs1 n ASN 203 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qs1 s LEU 204 N -2.88 3.24 0.06 3.41 1.02 -0.61 -2.20 118.68 120.72 2qs1 s LEU 204 Ca 0.16 -0.29 -0.04 0.00 0.02 0.00 0.00 54.13 53.98 2qs1 s LEU 204 Cb 0.19 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 2qs1 s LEU 204 CO 0.59 0.18 0.05 0.28 0.02 0.00 0.00 176.35 177.46 2qs1 s THR 205 N -1.26 0.18 0.26 5.49 -1.32 0.35 -4.78 115.64 114.56 2qs1 s THR 205 Ca 0.23 -1.52 -0.30 0.00 -1.21 0.00 0.00 61.69 58.90 2qs1 s THR 205 Cb -0.11 -1.35 -0.09 0.00 -1.51 0.00 0.00 72.50 69.43 2qs1 s THR 205 CO 0.16 -0.84 1.01 -1.58 -2.21 0.00 0.00 174.62 171.16 2qs1 s GLN 206 N -3.66 4.77 -0.17 7.08 0.74 -1.26 -2.02 119.66 125.13 2qs1 s GLN 206 Ca 0.04 1.62 -0.02 0.00 0.05 0.00 0.00 55.36 57.05 2qs1 s GLN 206 Cb 0.05 -3.24 -0.01 0.00 1.10 0.00 0.00 33.01 30.91 2qs1 s GLN 206 CO -0.09 0.39 -0.08 0.42 -0.55 0.00 0.00 175.29 175.38 2qs1 s ILE 207 N -1.17 3.32 0.00 -2.34 -1.09 0.41 -4.95 121.20 115.38 2qs1 s ILE 207 Ca 0.42 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 2qs1 s ILE 207 Cb -0.29 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 2qs1 s ILE 207 CO 0.36 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 175.15 2qs1 n GLY 208 N 4.10 -1.22 0.00 6.18 0.00 -1.19 -3.53 105.19 109.53 2qs1 n GLY 208 Ca -0.18 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 1.66 3.71 -0.02 0.00 -1.26 -4.90 105.19 104.38 2qs1 n GLY 209 Ca 0.00 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 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 4.26 0.07 0.99 1.43 -1.26 -4.61 118.68 119.56 2qs1 s LEU 210 Ca 0.00 0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 53.79 2qs1 s LEU 210 Cb 0.00 -2.74 -0.19 0.00 0.03 0.00 0.00 46.19 43.28 2qs1 s LEU 210 CO 0.00 -0.04 1.23 0.40 0.23 0.00 0.00 176.35 178.17 2qs1 h ILE 211 N 4.79 1.31 -3.16 -0.59 2.04 0.28 -3.47 117.51 118.72 2qs1 h ILE 211 Ca -0.40 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.41 2qs1 h ILE 211 Cb 1.18 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2qs1 h ILE 211 CO 0.75 0.64 0.00 -0.90 0.00 0.00 0.00 178.15 178.64 2qs1 n ASP 212 N -3.99 1.34 -3.72 1.72 5.75 -1.26 -4.93 116.55 111.46 2qs1 n ASP 212 Ca -0.09 -0.82 -0.14 0.00 -0.01 0.00 0.00 54.79 53.74 2qs1 n ASP 212 Cb 0.76 0.00 -0.14 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 -0.63 -0.01 0.26 -1.12 0.15 -1.26 -4.29 113.70 106.78 2qs1 s SER 213 Ca 0.00 0.40 -0.22 0.00 0.70 0.00 0.00 55.95 56.84 2qs1 s SER 213 Cb 0.00 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 2qs1 s SER 213 CO 0.00 -0.17 0.73 -1.59 1.20 0.00 0.00 173.24 173.40 2qs1 s LYS 214 N 1.45 1.69 0.06 5.44 -2.85 -0.69 -5.01 119.74 119.83 2qs1 s LYS 214 Ca -0.07 -0.91 0.02 0.00 -1.00 0.00 0.00 55.97 54.02 2qs1 s LYS 214 Cb -0.11 0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 36.22 2qs1 s LYS 214 CO -0.07 -0.77 -0.08 0.20 0.10 0.00 0.00 175.35 174.73 2qs1 s GLY 215 N -2.90 0.64 -0.07 0.59 0.00 -1.26 -0.77 107.32 103.54 2qs1 s GLY 215 Ca 0.10 -0.97 -0.22 0.00 0.00 0.00 0.00 44.72 43.63 2qs1 s GLY 215 CO 0.04 -1.03 0.65 -0.19 0.00 0.00 0.00 173.10 172.57 2qs1 s TYR 216 N -2.01 3.57 0.28 1.90 4.12 -0.32 -0.64 117.35 124.25 2qs1 s TYR 216 Ca -0.03 1.17 0.04 0.00 0.02 0.00 0.00 57.07 58.28 2qs1 s TYR 216 Cb -0.06 -2.74 -0.06 0.00 -1.52 0.00 0.00 41.96 37.59 2qs1 s TYR 216 CO -0.01 0.13 0.02 0.20 0.02 0.00 0.00 175.55 175.91 2qs1 s GLY 217 N 0.68 1.83 -0.15 0.71 0.00 -0.74 -1.19 107.32 108.46 2qs1 s GLY 217 Ca 0.35 -1.92 -0.26 0.00 0.00 0.00 0.00 44.72 42.88 2qs1 s GLY 217 CO 0.16 -1.75 0.87 0.14 0.00 0.00 0.00 173.10 172.52 2qs1 s VAL 218 N -3.32 4.86 0.26 1.40 1.01 -1.26 -4.48 120.40 118.87 2qs1 s VAL 218 Ca 0.33 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.85 2qs1 s VAL 218 Cb 0.07 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 2qs1 s VAL 218 CO 0.12 0.03 0.73 -0.83 0.00 0.00 0.00 175.10 175.15 2qs1 s GLY 219 N 1.13 2.51 0.12 4.51 0.00 -0.58 -0.69 107.32 114.32 2qs1 s GLY 219 Ca 0.40 0.12 -0.04 0.00 0.00 0.00 0.00 44.72 45.21 2qs1 s GLY 219 CO 0.14 0.42 0.11 -0.51 0.00 0.00 0.00 173.10 173.26 2qs1 s THR 220 N -1.70 0.12 0.76 0.90 -4.23 -0.07 -0.39 115.64 111.03 2qs1 s THR 220 Ca 0.47 -1.70 -0.13 0.00 -1.18 0.00 0.00 61.69 59.15 2qs1 s THR 220 Cb -0.14 -1.84 0.06 0.00 1.34 0.00 0.00 72.50 71.91 2qs1 s THR 220 CO 0.20 -0.53 1.16 -2.16 -0.54 0.00 0.00 174.62 172.74 2qs1 s PRO 221 N -3.99 2.05 0.22 3.99 0.04 -1.26 -0.94 135.00 135.11 2qs1 s PRO 221 Ca 0.18 1.56 -0.32 0.00 0.04 0.00 0.00 61.00 62.46 2qs1 s PRO 221 Cb 0.06 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.64 2qs1 s PRO 221 CO -0.02 -1.86 1.66 -0.89 0.04 0.00 0.00 177.00 175.93 2qs1 n ILE 222 N -3.08 0.24 -0.55 0.56 5.41 -1.26 -1.77 119.36 118.91 2qs1 n ILE 222 Ca 0.12 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.81 2qs1 n ILE 222 Cb 0.51 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 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 3.44 0.95 3.70 7.39 0.00 -1.26 -4.98 105.19 114.43 2qs1 n GLY 223 Ca 0.15 0.00 -0.44 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 3.29 0.00 1.61 2.88 -0.73 -4.86 113.62 115.81 2qs1 n SER 224 Ca 0.00 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.78 2qs1 n SER 224 Cb 0.00 -1.49 0.67 0.00 -0.75 0.00 0.00 64.21 62.63 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 2.63 0.56 0.13 -1.46 -0.04 -1.26 -3.00 135.00 132.57 2qs1 n PRO 225 Ca 0.13 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2qs1 n PRO 225 Cb 0.33 -1.50 0.04 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 0.42 0.54 -1.99 -1.97 -3.40 116.97 110.57 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 0.10 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.83 2qs1 h TYR 226 CO 0.00 0.01 -0.23 -0.09 -0.00 0.00 0.00 178.16 177.85 2qs1 h ARG 227 N 0.00 -0.58 -0.19 4.88 1.12 -1.93 0.06 114.38 117.73 2qs1 h ARG 227 Ca -0.00 0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.82 2qs1 h ARG 227 Cb 1.01 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 31.09 2qs1 h ARG 227 CO 0.00 -0.39 -0.29 -0.44 -3.11 0.00 0.00 179.97 175.74 2qs1 h ASP 228 N -0.60 0.38 -0.65 -3.80 3.32 -1.82 -1.48 116.42 111.76 2qs1 h ASP 228 Ca -0.05 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 2qs1 h ASP 228 Cb 0.48 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 2qs1 h ASP 228 CO 0.07 0.66 0.20 0.11 -1.72 0.00 0.00 179.24 178.55 2qs1 h LYS 229 N 0.33 1.04 -0.49 3.56 1.57 -1.69 -1.70 116.57 119.19 2qs1 h LYS 229 Ca 0.05 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 2qs1 h LYS 229 Cb 0.68 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2qs1 h LYS 229 CO 0.05 0.90 -0.10 0.82 -0.57 0.00 0.00 179.45 180.56 2qs1 h ILE 230 N 1.00 1.27 -0.33 1.86 2.04 -0.56 -1.18 117.51 121.62 2qs1 h ILE 230 Ca 0.22 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 64.92 2qs1 h ILE 230 Cb 0.31 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 2qs1 h ILE 230 CO -0.01 0.43 -0.09 0.74 0.00 0.00 0.00 178.15 179.22 2qs1 h THR 231 N 0.79 0.66 -0.69 -0.27 2.02 -1.00 0.75 112.91 115.17 2qs1 h THR 231 Ca 0.13 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.34 2qs1 h THR 231 Cb 0.65 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2qs1 h THR 231 CO 0.04 0.00 0.43 0.40 0.37 0.00 0.00 175.52 176.77 2qs1 h ILE 232 N -0.01 1.09 -0.45 3.11 1.08 -1.04 -0.33 117.51 120.97 2qs1 h ILE 232 Ca 0.16 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 2qs1 h ILE 232 Cb 0.25 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 2qs1 h ILE 232 CO -0.34 0.15 0.16 0.00 -0.69 0.00 0.00 178.15 177.43 2qs1 h ALA 233 N 1.30 0.59 -0.46 1.87 0.00 -0.79 -1.40 119.26 120.36 2qs1 h ALA 233 Ca 0.28 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2qs1 h ALA 233 Cb 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2qs1 h ALA 233 CO -0.11 0.22 0.25 0.82 0.00 0.00 0.00 179.25 180.43 2qs1 h ILE 234 N 0.59 1.01 -0.65 0.00 2.04 -0.35 -0.15 117.51 120.00 2qs1 h ILE 234 Ca 0.15 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2qs1 h ILE 234 Cb 0.23 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2qs1 h ILE 234 CO -0.01 0.09 0.36 -0.07 0.00 0.00 0.00 178.15 178.53 2qs1 h LEU 235 N 0.51 0.81 -0.12 1.44 3.38 -0.87 -0.10 115.31 120.35 2qs1 h LEU 235 Ca 0.19 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2qs1 h LEU 235 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2qs1 h LEU 235 CO -0.11 0.67 0.01 -0.61 0.09 0.00 0.00 178.44 178.48 2qs1 h GLN 236 N 0.89 0.05 -0.98 1.13 4.15 -0.88 -0.82 115.11 118.65 2qs1 h GLN 236 Ca 0.23 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.68 2qs1 h GLN 236 Cb 0.03 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 2qs1 h GLN 236 CO -0.04 0.03 0.64 -0.07 -1.93 0.00 0.00 178.83 177.47 2qs1 h LEU 237 N 0.05 1.08 0.15 -2.39 3.38 -0.76 -0.72 115.31 116.09 2qs1 h LEU 237 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qs1 h LEU 237 Cb 0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2qs1 h LEU 237 CO -0.09 0.74 -0.07 -0.61 0.09 0.00 0.00 178.44 178.50 2qs1 h GLN 238 N 1.25 -0.19 -0.15 1.13 -0.00 -0.74 0.89 115.11 117.30 2qs1 h GLN 238 Ca 0.38 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.99 2qs1 h GLN 238 Cb -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.49 2qs1 h GLN 238 CO -0.11 0.06 -0.18 0.93 0.00 0.00 0.00 178.83 179.53 2qs1 h GLU 239 N -0.43 0.25 0.00 1.69 5.08 -0.96 -1.84 114.58 118.36 2qs1 h GLU 239 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2qs1 h GLU 239 Cb 0.34 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2qs1 h GLU 239 CO 0.03 0.43 0.00 0.39 -1.00 0.00 0.00 179.01 178.86 2qs1 n GLU 240 N -4.23 0.33 -0.72 2.33 1.02 -0.29 -4.90 120.64 114.18 2qs1 n GLU 240 Ca -0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2qs1 n GLU 240 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 1.17 0.68 0.15 0.62 0.00 -0.69 -4.96 105.19 102.15 2qs1 n GLY 241 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 2.16 0.40 -0.68 1.61 1.57 -1.03 -2.35 116.57 118.25 2qs1 h LYS 242 Ca 0.00 -0.49 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 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 1.16 0.28 -0.07 -0.57 0.00 0.00 179.45 180.25 2qs1 h LEU 243 N 0.20 0.92 -0.21 2.94 3.38 -1.75 0.04 115.31 120.82 2qs1 h LEU 243 Ca -0.10 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2qs1 h LEU 243 Cb 1.71 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2qs1 h LEU 243 CO 0.18 0.81 0.13 -0.74 0.09 0.00 0.00 178.44 178.92 2qs1 h HIS 244 N 0.98 0.28 -0.04 1.13 2.76 -1.83 -0.64 115.15 117.80 2qs1 h HIS 244 Ca 0.23 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 2qs1 h HIS 244 Cb 0.18 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 2qs1 h HIS 244 CO 0.01 0.21 -0.57 0.00 -1.30 0.00 0.00 177.93 176.28 2qs1 h MET 245 N 0.27 0.14 -0.54 5.26 -0.00 -1.19 -0.17 114.93 118.70 2qs1 h MET 245 Ca 0.08 -0.09 -0.09 0.00 -0.00 0.00 0.00 59.70 59.59 2qs1 h MET 245 Cb 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 31.60 2qs1 h MET 245 CO -0.02 0.67 -0.03 0.52 -0.00 0.00 0.00 176.91 178.06 2qs1 h MET 246 N 0.10 0.97 -0.19 -0.10 2.07 -0.89 -0.05 114.93 116.84 2qs1 h MET 246 Ca -0.00 -0.32 -0.01 0.00 -2.07 0.00 0.00 59.70 57.30 2qs1 h MET 246 Cb 1.04 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.69 2qs1 h MET 246 CO 0.08 0.99 0.09 -0.22 1.07 0.00 0.00 176.91 178.93 2qs1 h LYS 247 N 0.85 0.28 -0.53 1.72 1.63 -0.81 -3.00 116.57 116.71 2qs1 h LYS 247 Ca 0.15 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.94 2qs1 h LYS 247 Cb 0.57 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 2qs1 h LYS 247 CO 0.03 0.31 0.30 0.93 -3.45 0.00 0.00 179.45 177.57 2qs1 h GLU 248 N 0.18 0.57 -0.80 1.90 4.39 -0.94 -0.10 114.58 119.78 2qs1 h GLU 248 Ca 0.07 -0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.92 2qs1 h GLU 248 Cb 0.12 -0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 28.52 2qs1 h GLU 248 CO -0.01 0.38 0.23 -0.22 -1.16 0.00 0.00 179.01 178.22 2qs1 h LYS 249 N 0.58 0.28 0.00 2.33 3.64 -0.90 -2.50 116.57 120.01 2qs1 h LYS 249 Ca 0.22 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.30 2qs1 h LYS 249 Cb 0.07 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 2qs1 h LYS 249 CO -0.12 0.18 -2.06 0.91 -2.27 0.00 0.00 179.45 176.09 2qs1 n TRP 250 N -5.15 0.37 -0.02 1.91 7.02 -1.03 -4.57 117.44 115.96 2qs1 n TRP 250 Ca 0.17 0.13 -0.16 0.00 -1.02 0.00 0.00 57.50 56.62 2qs1 n TRP 250 Cb 0.53 -1.01 -0.14 0.00 -2.42 0.00 0.00 31.31 28.28 2qs1 n TRP 250 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2qs1 n TRP 251 N -2.79 1.00 -1.86 -5.99 8.01 -0.08 -4.92 117.44 110.82 2qs1 n TRP 251 Ca -0.23 0.26 -0.41 0.00 -1.31 0.00 0.00 57.50 55.80 2qs1 n TRP 251 Cb 1.04 -1.15 -0.02 0.00 -2.01 0.00 0.00 31.31 29.17 2qs1 n TRP 251 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.69 175.70 2qs1 s ARG 252 N -2.56 4.17 0.00 -0.99 1.04 -0.95 -4.79 118.95 114.88 2qs1 s ARG 252 Ca -0.17 2.48 0.00 0.00 -1.04 0.00 0.00 55.73 57.00 2qs1 s ARG 252 Cb 0.07 -3.06 0.00 0.00 -2.04 0.00 0.00 34.95 29.93 2qs1 s ARG 252 CO 0.78 -0.56 0.00 0.41 -0.04 0.00 0.00 175.30 175.88 2qs1 n GLY 253 N 2.26 2.05 0.00 3.88 0.00 -1.26 -5.03 105.19 107.10 2qs1 n GLY 253 Ca 0.08 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.21 2qs1 n GLY 253 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02