#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qs2 s THR 5 N 0.00 4.14 0.12 5.15 2.01 -1.26 -4.55 115.64 121.25 2qs2 s THR 5 Ca 0.00 1.37 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 2qs2 s THR 5 Cb 0.00 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.54 2qs2 s THR 5 CO 0.00 -0.14 1.09 -0.76 -0.69 0.00 0.00 174.62 174.12 2qs2 s LEU 6 N 3.67 4.45 -0.15 4.42 1.43 0.16 -4.83 118.68 127.82 2qs2 s LEU 6 Ca 0.58 1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 55.43 2qs2 s LEU 6 Cb -0.24 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2qs2 s LEU 6 CO 0.18 -0.26 0.70 -0.63 0.23 0.00 0.00 176.35 176.57 2qs2 s ILE 7 N 0.27 4.99 -0.27 -0.59 -1.09 -1.26 -0.30 121.20 122.94 2qs2 s ILE 7 Ca 0.52 1.38 -0.04 0.00 -2.23 0.00 0.00 60.65 60.27 2qs2 s ILE 7 Cb -0.27 -4.02 0.02 0.00 -1.58 0.00 0.00 42.46 36.60 2qs2 s ILE 7 CO 0.32 0.13 0.01 -0.69 -1.23 0.00 0.00 174.94 173.47 2qs2 s VAL 8 N 1.67 3.43 0.20 2.92 1.01 0.40 0.08 120.40 130.10 2qs2 s VAL 8 Ca 0.34 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 2qs2 s VAL 8 Cb -0.16 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 2qs2 s VAL 8 CO 0.13 0.15 0.82 0.28 0.00 0.00 0.00 175.10 176.47 2qs2 s THR 9 N 1.42 4.31 0.15 3.92 -1.32 0.21 -0.67 115.64 123.66 2qs2 s THR 9 Ca 0.01 1.77 -0.03 0.00 -1.21 0.00 0.00 61.69 62.23 2qs2 s THR 9 Cb -0.17 -4.15 0.01 0.00 -1.51 0.00 0.00 72.50 66.68 2qs2 s THR 9 CO -0.01 0.47 0.24 1.07 -2.21 0.00 0.00 174.62 174.18 2qs2 n THR 10 N 1.44 0.00 -3.78 5.08 5.66 -0.98 -1.99 114.28 119.71 2qs2 n THR 10 Ca -0.04 -0.60 -0.13 0.00 -3.05 0.00 0.00 64.05 60.23 2qs2 n THR 10 Cb 0.49 0.43 -0.11 0.00 -1.55 0.00 0.00 70.33 69.58 2qs2 n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2qs2 s ILE 11 N -2.61 0.01 0.01 1.09 2.07 -1.26 -0.98 121.20 119.53 2qs2 s ILE 11 Ca 0.10 -0.09 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 2qs2 s ILE 11 Cb -0.01 -0.42 -0.07 0.00 0.13 0.00 0.00 42.46 42.09 2qs2 s ILE 11 CO 0.07 -0.05 1.64 -0.76 -1.91 0.00 0.00 174.94 173.93 2qs2 s LEU 12 N -0.10 4.35 -0.30 8.50 1.43 -1.26 -4.52 118.68 126.77 2qs2 s LEU 12 Ca -0.02 2.35 -0.07 0.00 -1.03 0.00 0.00 54.13 55.36 2qs2 s LEU 12 Cb -0.03 -3.55 0.18 0.00 0.03 0.00 0.00 46.19 42.83 2qs2 s LEU 12 CO 0.01 -0.89 0.80 -0.70 0.23 0.00 0.00 176.35 175.79 2qs2 s GLU 13 N 3.26 0.41 0.24 1.70 2.56 -0.18 -4.97 118.70 121.72 2qs2 s GLU 13 Ca 0.73 0.74 -0.30 0.00 0.00 0.00 0.00 54.97 56.15 2qs2 s GLU 13 Cb -0.36 0.42 -0.09 0.00 2.00 0.00 0.00 34.13 36.09 2qs2 s GLU 13 CO 0.31 -0.42 1.35 -2.00 -0.56 0.00 0.00 175.26 173.94 2qs2 s GLU 14 N 2.88 4.35 -0.22 4.30 2.12 -1.26 0.38 118.70 131.25 2qs2 s GLU 14 Ca 0.10 2.16 0.11 0.00 0.36 0.00 0.00 54.97 57.70 2qs2 s GLU 14 Cb -0.13 -3.15 0.69 0.00 0.26 0.00 0.00 34.13 31.80 2qs2 s GLU 14 CO -0.17 -0.29 1.58 -0.35 -0.54 0.00 0.00 175.26 175.49 2qs2 n PRO 15 N 2.26 4.12 -0.02 4.30 -0.04 -1.26 -4.93 135.00 139.43 2qs2 n PRO 15 Ca 0.05 -2.66 -0.16 0.00 -0.04 0.00 0.00 63.50 60.69 2qs2 n PRO 15 Cb 0.42 -2.14 -0.10 0.00 -0.04 0.00 0.00 33.50 31.64 2qs2 n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qs2 h TYR 16 N 3.16 0.51 -2.77 0.54 -1.99 -0.41 -1.00 116.97 115.02 2qs2 h TYR 16 Ca 0.05 -0.25 -0.20 0.00 2.00 0.00 0.00 58.73 60.33 2qs2 h TYR 16 Cb 1.83 -0.07 -0.32 0.00 2.00 0.00 0.00 36.73 40.18 2qs2 h TYR 16 CO 0.97 1.02 -0.51 0.08 -0.00 0.00 0.00 178.16 179.72 2qs2 s VAL 17 N -3.46 -0.45 -0.00 -2.88 1.01 -0.33 -1.11 120.40 113.18 2qs2 s VAL 17 Ca -0.14 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 2qs2 s VAL 17 Cb 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.93 2qs2 s VAL 17 CO 0.79 0.09 0.18 -0.04 0.00 0.00 0.00 175.10 176.13 2qs2 s MET 18 N 2.45 0.52 0.30 2.72 -1.94 0.01 -1.01 119.30 122.35 2qs2 s MET 18 Ca 0.01 -0.33 -0.29 0.00 -1.71 0.00 0.00 55.69 53.37 2qs2 s MET 18 Cb -0.12 0.22 -0.10 0.00 2.01 0.00 0.00 34.83 36.84 2qs2 s MET 18 CO -0.09 -0.13 1.23 0.71 -0.01 0.00 0.00 175.02 176.73 2qs2 s TYR 19 N -1.32 3.26 0.37 -0.03 1.51 -1.26 -0.47 117.35 119.42 2qs2 s TYR 19 Ca -0.14 1.51 -0.27 0.00 -1.01 0.00 0.00 57.07 57.16 2qs2 s TYR 19 Cb -0.07 -3.52 -0.09 0.00 -0.11 0.00 0.00 41.96 38.17 2qs2 s TYR 19 CO 0.02 -1.36 1.23 1.03 -1.11 0.00 0.00 175.55 175.36 2qs2 s ARG 20 N -1.53 4.17 -1.33 -0.62 0.52 -0.34 -4.79 118.95 115.03 2qs2 s ARG 20 Ca 0.48 2.02 -0.16 0.00 -0.52 0.00 0.00 55.73 57.55 2qs2 s ARG 20 Cb -0.37 -2.85 0.08 0.00 0.52 0.00 0.00 34.95 32.33 2qs2 s ARG 20 CO 0.47 -0.28 1.86 1.17 0.02 0.00 0.00 175.30 178.54 2qs2 n LYS 21 N 0.39 3.15 -3.65 3.54 4.81 -1.26 -4.86 118.16 120.28 2qs2 n LYS 21 Ca 0.02 -3.17 -0.15 0.00 -0.87 0.00 0.00 58.31 54.15 2qs2 n LYS 21 Cb 0.44 -3.34 -0.08 0.00 0.02 0.00 0.00 35.03 32.07 2qs2 n LYS 21 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2qs2 s SER 22 N 3.53 -0.55 -0.05 3.14 0.15 -1.26 -5.01 113.70 113.65 2qs2 s SER 22 Ca 0.50 0.88 0.16 0.00 0.70 0.00 0.00 55.95 58.18 2qs2 s SER 22 Cb 0.06 0.88 0.51 0.00 -1.71 0.00 0.00 66.02 65.76 2qs2 s SER 22 CO 0.02 -0.35 1.43 0.47 1.20 0.00 0.00 173.24 176.01 2qs2 n ASP 23 N 2.04 3.70 -4.73 5.45 8.00 -1.26 -5.01 116.55 124.75 2qs2 n ASP 23 Ca -0.16 -2.23 -0.32 0.00 0.71 0.00 0.00 54.79 52.79 2qs2 n ASP 23 Cb 0.56 -0.41 0.11 0.00 -0.02 0.00 0.00 41.12 41.37 2qs2 n ASP 23 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2qs2 s LYS 24 N -1.42 1.85 -0.95 -1.24 1.02 -1.26 -4.86 119.74 112.88 2qs2 s LYS 24 Ca 0.38 1.40 -0.24 0.00 0.02 0.00 0.00 55.97 57.52 2qs2 s LYS 24 Cb 0.23 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.69 2qs2 s LYS 24 CO 0.21 -1.99 1.77 -1.25 -0.92 0.00 0.00 175.35 173.17 2qs2 s PRO 25 N -4.62 2.93 -0.14 -1.68 0.04 -1.26 -4.91 135.00 125.35 2qs2 s PRO 25 Ca 0.65 -0.59 -0.02 0.00 0.04 0.00 0.00 61.00 61.08 2qs2 s PRO 25 Cb -0.21 -5.17 -0.02 0.00 0.04 0.00 0.00 34.50 29.14 2qs2 s PRO 25 CO 0.54 -2.96 -0.09 -0.51 0.04 0.00 0.00 177.00 174.02 2qs2 s LEU 26 N 8.23 2.93 0.19 -3.56 1.43 -1.26 -5.11 118.68 121.54 2qs2 s LEU 26 Ca 0.61 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 2qs2 s LEU 26 Cb -0.04 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2qs2 s LEU 26 CO -0.04 0.17 -0.15 -0.31 0.23 0.00 0.00 176.35 176.25 2qs2 s TYR 27 N 0.36 1.68 0.00 0.29 1.51 -1.26 -4.64 117.35 115.30 2qs2 s TYR 27 Ca -0.08 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 2qs2 s TYR 27 Cb -0.15 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 2qs2 s TYR 27 CO 0.05 0.33 0.00 0.41 -1.11 0.00 0.00 175.55 175.23 2qs2 n GLY 28 N -0.23 3.39 0.28 0.71 0.00 -1.26 -1.66 105.19 106.41 2qs2 n GLY 28 Ca -0.09 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2qs2 n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qs2 h ASN 29 N 0.00 0.00 0.63 1.61 2.35 -1.91 -2.80 115.58 115.46 2qs2 h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qs2 h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qs2 h ASN 29 CO 0.00 0.05 0.00 0.47 -1.65 0.00 0.00 177.43 176.30 2qs2 n ASP 30 N -3.91 0.21 0.24 5.81 10.43 -0.67 -2.20 116.55 126.45 2qs2 n ASP 30 Ca -0.03 0.55 0.15 0.00 2.57 0.00 0.00 54.79 58.04 2qs2 n ASP 30 Cb 0.14 -0.59 0.58 0.00 1.84 0.00 0.00 41.12 43.08 2qs2 n ASP 30 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 2qs2 h ARG 31 N 0.00 0.00 -6.36 -1.24 3.08 -1.61 -3.44 114.38 104.80 2qs2 h ARG 31 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2qs2 h ARG 31 Cb 0.31 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.24 2qs2 h ARG 31 CO 0.00 0.00 -0.69 -0.06 -1.07 0.00 0.00 179.97 178.15 2qs2 s PHE 32 N -3.52 2.72 0.18 3.04 0.40 -0.94 -1.20 117.98 118.66 2qs2 s PHE 32 Ca 0.03 -0.19 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 2qs2 s PHE 32 Cb 0.09 -1.30 -0.02 0.00 0.51 0.00 0.00 43.02 42.30 2qs2 s PHE 32 CO 0.53 0.53 0.27 -1.83 0.70 0.00 0.00 175.22 175.43 2qs2 s GLU 33 N -3.02 1.22 0.00 0.44 -1.05 0.38 -4.76 118.70 111.92 2qs2 s GLU 33 Ca 0.27 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 2qs2 s GLU 33 Cb -0.09 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 2qs2 s GLU 33 CO 0.17 -0.45 0.00 0.41 0.95 0.00 0.00 175.26 176.35 2qs2 n GLY 34 N -0.25 2.73 0.26 -3.83 0.00 -1.26 -0.81 105.19 102.03 2qs2 n GLY 34 Ca -0.04 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.13 2qs2 n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qs2 h TYR 35 N 0.00 0.52 0.00 1.61 3.20 -0.84 -1.04 116.97 120.43 2qs2 h TYR 35 Ca 0.00 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2qs2 h TYR 35 Cb 0.00 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2qs2 h TYR 35 CO 0.00 0.13 -0.54 0.00 -1.64 0.00 0.00 178.16 176.11 2qs2 h LEU 37 N 0.00 0.96 -0.55 0.00 -0.00 -1.42 -0.19 115.31 114.12 2qs2 h LEU 37 Ca -0.01 -0.44 -0.06 0.00 -0.00 0.00 0.00 57.88 57.37 2qs2 h LEU 37 Cb 1.05 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 2qs2 h LEU 37 CO 0.07 1.20 0.11 0.44 -0.00 0.00 0.00 178.44 180.26 2qs2 h ASP 38 N 0.73 0.85 -0.29 -0.43 3.32 -0.88 -0.98 116.42 118.75 2qs2 h ASP 38 Ca 0.08 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2qs2 h ASP 38 Cb 0.89 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2qs2 h ASP 38 CO 0.08 0.88 0.17 0.25 -1.72 0.00 0.00 179.24 178.90 2qs2 h LEU 39 N 0.79 0.35 -0.78 1.55 5.85 -0.81 -1.78 115.31 120.48 2qs2 h LEU 39 Ca 0.17 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2qs2 h LEU 39 Cb 0.38 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2qs2 h LEU 39 CO 0.01 0.30 0.41 0.25 -0.34 0.00 0.00 178.44 179.07 2qs2 h LEU 40 N 0.37 0.99 -0.54 2.25 5.85 -0.92 0.41 115.31 123.72 2qs2 h LEU 40 Ca 0.10 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2qs2 h LEU 40 Cb 0.02 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2qs2 h LEU 40 CO -0.02 0.82 0.33 0.50 -0.34 0.00 0.00 178.44 179.73 2qs2 h LYS 41 N 1.08 0.64 -0.47 1.25 1.63 -0.95 -0.04 116.57 119.71 2qs2 h LYS 41 Ca 0.27 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 2qs2 h LYS 41 Cb 0.06 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2qs2 h LYS 41 CO -0.04 0.42 0.22 0.93 -3.45 0.00 0.00 179.45 177.53 2qs2 h GLU 42 N 0.66 0.69 -0.71 1.90 4.39 -0.67 -1.91 114.58 118.93 2qs2 h GLU 42 Ca 0.21 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2qs2 h GLU 42 Cb 0.00 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2qs2 h GLU 42 CO -0.09 0.60 0.46 -0.07 -1.16 0.00 0.00 179.01 178.75 2qs2 h LEU 43 N 0.62 0.83 -1.36 1.33 3.38 -0.67 -1.35 115.31 118.08 2qs2 h LEU 43 Ca 0.16 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2qs2 h LEU 43 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2qs2 h LEU 43 CO -0.02 0.62 -0.02 0.77 0.09 0.00 0.00 178.44 179.88 2qs2 h SER 44 N 0.96 0.37 1.13 -0.43 4.64 -0.74 -0.28 113.55 119.20 2qs2 h SER 44 Ca 0.26 -0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.34 2qs2 h SER 44 Cb -0.08 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 2qs2 h SER 44 CO -0.05 0.45 -0.88 0.78 -0.87 0.00 0.00 176.83 176.25 2qs2 h ASN 45 N 0.38 0.00 0.03 4.97 2.35 -1.01 -0.51 115.58 121.79 2qs2 h ASN 45 Ca 0.08 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2qs2 h ASN 45 Cb 0.29 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.67 2qs2 h ASN 45 CO 0.01 0.84 -0.37 0.40 -1.65 0.00 0.00 177.43 176.67 2qs2 h ILE 46 N 0.00 1.58 0.00 2.81 2.04 -0.96 -3.36 117.51 119.62 2qs2 h ILE 46 Ca -0.02 -2.18 -0.19 0.00 1.00 0.00 0.00 64.86 63.47 2qs2 h ILE 46 Cb 1.66 2.98 -0.03 0.00 -0.74 0.00 0.00 36.82 40.69 2qs2 h ILE 46 CO 0.11 0.60 -1.00 -0.07 0.00 0.00 0.00 178.15 177.79 2qs2 h LEU 47 N -0.53 0.00 -2.47 1.44 4.07 -1.18 -3.49 115.31 113.15 2qs2 h LEU 47 Ca -0.06 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.87 2qs2 h LEU 47 Cb 1.19 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.95 2qs2 h LEU 47 CO 0.07 0.81 -0.10 0.61 -1.08 0.00 0.00 178.44 178.75 2qs2 n GLY 48 N 1.35 0.51 3.37 0.83 0.00 -0.24 -5.07 105.19 105.93 2qs2 n GLY 48 Ca -0.03 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 2qs2 n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qs2 s PHE 49 N -3.05 2.11 0.25 1.61 -0.12 -0.94 -5.05 117.98 112.79 2qs2 s PHE 49 Ca 0.03 -0.40 -0.09 0.00 -0.05 0.00 0.00 56.93 56.42 2qs2 s PHE 49 Cb -0.00 -1.09 -0.07 0.00 -0.63 0.00 0.00 43.02 41.23 2qs2 s PHE 49 CO 0.09 0.37 0.56 -0.51 -0.05 0.00 0.00 175.22 175.68 2qs2 s LEU 50 N -2.35 4.13 0.04 -1.99 1.43 -1.26 -4.77 118.68 113.90 2qs2 s LEU 50 Ca 0.15 0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 2qs2 s LEU 50 Cb -0.08 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.47 2qs2 s LEU 50 CO 0.07 -0.11 0.25 -0.72 0.23 0.00 0.00 176.35 176.07 2qs2 s TYR 51 N -1.89 -0.03 -0.11 0.29 -0.85 -1.26 -0.67 117.35 112.83 2qs2 s TYR 51 Ca 0.47 -0.13 0.01 0.00 -0.52 0.00 0.00 57.07 56.90 2qs2 s TYR 51 Cb -0.11 0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.28 2qs2 s TYR 51 CO 0.23 -0.46 -0.13 -0.51 -1.52 0.00 0.00 175.55 173.16 2qs2 s ASP 52 N -2.01 2.32 -0.16 -0.18 1.01 0.58 -4.89 116.67 113.35 2qs2 s ASP 52 Ca -0.06 -0.39 -0.23 0.00 0.71 0.00 0.00 52.55 52.58 2qs2 s ASP 52 Cb -0.01 -1.02 -0.02 0.00 1.01 0.00 0.00 42.92 42.87 2qs2 s ASP 52 CO -0.03 -0.01 0.70 -0.69 0.21 0.00 0.00 175.17 175.35 2qs2 s VAL 53 N 1.10 4.99 -0.13 -1.27 1.01 -1.26 -0.46 120.40 124.38 2qs2 s VAL 53 Ca -0.05 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.31 2qs2 s VAL 53 Cb -0.14 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.23 2qs2 s VAL 53 CO -0.03 0.12 -0.15 -0.54 0.00 0.00 0.00 175.10 174.50 2qs2 s LYS 54 N 1.73 2.28 0.25 2.72 1.02 0.16 -4.85 119.74 123.05 2qs2 s LYS 54 Ca 0.33 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.46 2qs2 s LYS 54 Cb -0.16 -2.02 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 2qs2 s LYS 54 CO 0.12 -0.16 1.40 -0.51 -0.92 0.00 0.00 175.35 175.28 2qs2 s LEU 55 N 1.27 4.40 0.07 3.17 1.43 -1.26 -2.33 118.68 125.43 2qs2 s LEU 55 Ca -0.00 2.62 -0.30 0.00 -1.03 0.00 0.00 54.13 55.41 2qs2 s LEU 55 Cb -0.14 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 2qs2 s LEU 55 CO -0.07 -0.65 1.91 0.54 0.23 0.00 0.00 176.35 178.31 2qs2 s VAL 56 N -0.12 2.81 0.29 -1.59 0.11 -0.16 -4.86 120.40 116.88 2qs2 s VAL 56 Ca 0.57 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.70 2qs2 s VAL 56 Cb -0.41 -3.03 0.29 0.00 -1.53 0.00 0.00 36.38 31.71 2qs2 s VAL 56 CO 0.43 -0.00 1.80 -0.65 -3.33 0.00 0.00 175.10 173.35 2qs2 h PRO 57 N 9.72 0.84 -0.01 1.54 0.11 -1.91 -1.55 132.00 140.73 2qs2 h PRO 57 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qs2 h PRO 57 Cb 1.23 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2qs2 h PRO 57 CO 0.94 0.55 -0.09 -0.40 -0.21 0.00 0.00 178.00 178.80 2qs2 n ASP 58 N -4.71 0.89 -1.76 -2.05 5.75 -1.26 -4.94 116.55 108.47 2qs2 n ASP 58 Ca 0.21 -1.03 -0.17 0.00 -0.01 0.00 0.00 54.79 53.79 2qs2 n ASP 58 Cb 0.47 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 2qs2 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qs2 n GLY 59 N 1.22 0.29 3.56 6.12 0.00 -0.59 -4.99 105.19 110.81 2qs2 n GLY 59 Ca 0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2qs2 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qs2 s LYS 60 N -4.42 2.06 -0.03 1.61 -0.14 -1.26 -5.03 119.74 112.53 2qs2 s LYS 60 Ca 0.00 -1.10 -0.24 0.00 -1.36 0.00 0.00 55.97 53.27 2qs2 s LYS 60 Cb 0.00 -2.25 -0.17 0.00 -1.68 0.00 0.00 37.83 33.73 2qs2 s LYS 60 CO 0.00 0.49 1.10 1.88 -0.76 0.00 0.00 175.35 178.06 2qs2 h TYR 61 N 3.47 -0.19 0.00 3.18 -1.99 -1.93 -2.46 116.97 117.05 2qs2 h TYR 61 Ca -0.49 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 2qs2 h TYR 61 Cb 1.17 0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.97 2qs2 h TYR 61 CO 0.61 0.24 0.00 0.41 -0.00 0.00 0.00 178.16 179.42 2qs2 n GLY 62 N 0.23 3.18 3.17 3.88 0.00 -1.26 -1.63 105.19 112.76 2qs2 n GLY 62 Ca -0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2qs2 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qs2 s ALA 63 N 0.00 1.00 0.01 4.61 0.00 -1.26 -4.91 121.76 121.21 2qs2 s ALA 63 Ca 0.00 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.48 2qs2 s ALA 63 Cb 0.00 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2qs2 s ALA 63 CO 0.00 -0.44 -0.01 -1.14 0.00 0.00 0.00 175.76 174.17 2qs2 s GLN 64 N -4.01 2.73 0.52 0.00 0.74 -1.26 -2.15 119.66 116.24 2qs2 s GLN 64 Ca 0.24 -0.65 0.07 0.00 0.05 0.00 0.00 55.36 55.07 2qs2 s GLN 64 Cb 0.07 -2.63 0.09 0.00 1.10 0.00 0.00 33.01 31.64 2qs2 s GLN 64 CO 0.02 0.61 0.73 0.27 -0.55 0.00 0.00 175.29 176.37 2qs2 n ASN 65 N 1.31 1.74 0.29 6.67 0.23 -0.15 -4.95 115.26 120.40 2qs2 n ASN 65 Ca -0.14 -2.29 0.18 0.00 -0.53 0.00 0.00 54.58 51.80 2qs2 n ASN 65 Cb 0.53 -0.40 0.85 0.00 -2.08 0.00 0.00 39.78 38.67 2qs2 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2qs2 h ASP 66 N -0.01 0.00 -0.04 0.53 3.45 -2.01 -1.30 116.42 117.04 2qs2 h ASP 66 Ca -0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.22 2qs2 h ASP 66 Cb 1.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 2qs2 h ASP 66 CO 0.33 0.03 0.00 0.29 -1.57 0.00 0.00 179.24 178.33 2qs2 n LYS 67 N -3.21 1.56 -0.87 3.56 5.02 -1.26 -4.90 118.16 118.06 2qs2 n LYS 67 Ca -0.01 -0.82 0.00 0.00 -2.02 0.00 0.00 58.31 55.46 2qs2 n LYS 67 Cb 0.23 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2qs2 n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qs2 n GLY 68 N 1.13 0.50 3.72 0.72 0.00 -0.49 -5.03 105.19 105.73 2qs2 n GLY 68 Ca 0.19 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 2qs2 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qs2 s GLU 69 N -1.04 4.41 0.29 1.61 2.02 -1.26 -4.82 118.70 119.91 2qs2 s GLU 69 Ca 0.00 0.77 0.04 0.00 0.02 0.00 0.00 54.97 55.80 2qs2 s GLU 69 Cb 0.00 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 2qs2 s GLU 69 CO 0.00 0.08 0.44 -1.58 0.02 0.00 0.00 175.26 174.22 2qs2 s TRP 70 N 0.79 3.41 0.09 1.61 0.52 -1.26 -0.97 118.94 123.13 2qs2 s TRP 70 Ca 0.35 0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.54 2qs2 s TRP 70 Cb -0.17 -1.75 -0.00 0.00 -1.15 0.00 0.00 33.47 30.40 2qs2 s TRP 70 CO 0.16 0.26 0.03 0.27 0.02 0.00 0.00 176.95 177.68 2qs2 n ASN 71 N -1.58 1.23 0.00 2.95 0.23 -0.91 -4.72 115.26 112.45 2qs2 n ASN 71 Ca -0.06 -1.47 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 2qs2 n ASN 71 Cb 0.57 0.20 0.00 0.00 -2.08 0.00 0.00 39.78 38.47 2qs2 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qs2 n GLY 72 N 2.02 0.63 0.33 4.83 0.00 -1.26 -1.84 105.19 109.89 2qs2 n GLY 72 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.17 2qs2 n GLY 72 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qs2 h MET 73 N 0.00 0.80 -0.39 1.61 2.86 -0.80 -2.28 114.93 116.74 2qs2 h MET 73 Ca 0.00 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2qs2 h MET 73 Cb 0.00 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 2qs2 h MET 73 CO 0.00 0.57 0.20 0.28 1.06 0.00 0.00 176.91 179.02 2qs2 h VAL 74 N 0.82 0.99 -0.99 -2.22 2.07 -1.59 -1.91 116.25 113.42 2qs2 h VAL 74 Ca 0.21 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2qs2 h VAL 74 Cb -0.02 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2qs2 h VAL 74 CO -0.04 0.07 0.65 0.50 0.02 0.00 0.00 177.57 178.78 2qs2 h LYS 75 N 0.40 1.26 -0.92 1.57 3.64 -0.81 -1.12 116.57 120.59 2qs2 h LYS 75 Ca 0.16 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2qs2 h LYS 75 Cb 0.06 -0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 31.56 2qs2 h LYS 75 CO -0.11 0.83 0.60 0.93 -2.27 0.00 0.00 179.45 179.43 2qs2 h GLU 76 N 1.30 1.23 -0.10 1.90 4.39 -1.01 0.02 114.58 122.30 2qs2 h GLU 76 Ca 0.38 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 2qs2 h GLU 76 Cb -0.07 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.30 2qs2 h GLU 76 CO -0.10 0.82 0.00 -0.07 -1.16 0.00 0.00 179.01 178.50 2qs2 h LEU 77 N 1.26 0.17 -0.92 1.33 3.38 -0.85 0.34 115.31 120.01 2qs2 h LEU 77 Ca 0.34 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 58.06 2qs2 h LEU 77 Cb -0.12 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 2qs2 h LEU 77 CO -0.07 0.43 0.58 0.40 0.09 0.00 0.00 178.44 179.87 2qs2 h ILE 78 N -0.10 1.08 -0.00 1.22 2.04 -0.87 -1.75 117.51 119.14 2qs2 h ILE 78 Ca 0.03 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2qs2 h ILE 78 Cb 0.34 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2qs2 h ILE 78 CO 0.00 0.20 -0.00 0.47 0.00 0.00 0.00 178.15 178.82 2qs2 n ASP 79 N -4.56 0.03 -2.63 1.72 8.00 -0.04 -4.90 116.55 114.17 2qs2 n ASP 79 Ca 0.13 -0.92 -0.21 0.00 0.71 0.00 0.00 54.79 54.50 2qs2 n ASP 79 Cb 0.16 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 2qs2 n ASP 79 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2qs2 n HIS 80 N -1.01 -1.36 1.17 1.24 8.25 -0.66 -4.88 115.22 117.98 2qs2 n HIS 80 Ca 0.23 0.18 0.12 0.00 -0.26 0.00 0.00 57.72 57.99 2qs2 n HIS 80 Cb 0.13 -4.07 0.23 0.00 1.12 0.00 0.00 29.99 27.40 2qs2 n HIS 80 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qs2 n ARG 81 N -3.36 1.54 -3.85 -0.41 1.74 0.08 -4.88 116.66 107.53 2qs2 n ARG 81 Ca -0.19 -1.13 -0.12 0.00 -0.77 0.00 0.00 57.85 55.63 2qs2 n ARG 81 Cb 0.66 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.52 2qs2 n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qs2 s ALA 82 N -2.24 -0.37 -0.09 7.54 0.00 -1.03 -4.92 121.76 120.65 2qs2 s ALA 82 Ca 0.27 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.31 2qs2 s ALA 82 Cb 0.20 -0.00 -0.25 0.00 0.00 0.00 0.00 23.12 23.07 2qs2 s ALA 82 CO 0.43 -0.17 0.49 -0.25 0.00 0.00 0.00 175.76 176.25 2qs2 n ASP 83 N 1.89 1.51 -4.06 0.00 8.00 0.11 -4.47 116.55 119.53 2qs2 n ASP 83 Ca -0.20 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 2qs2 n ASP 83 Cb 0.56 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 41.10 2qs2 n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qs2 s LEU 84 N -6.57 2.26 -0.25 0.64 1.43 -1.01 -4.26 118.68 110.92 2qs2 s LEU 84 Ca -0.14 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 2qs2 s LEU 84 Cb 0.07 -0.15 0.02 0.00 0.03 0.00 0.00 46.19 46.16 2qs2 s LEU 84 CO 0.79 -0.21 -0.05 0.00 0.23 0.00 0.00 176.35 177.11 2qs2 s ALA 85 N -1.40 2.73 -0.31 4.21 0.00 0.41 -0.62 121.76 126.77 2qs2 s ALA 85 Ca -0.10 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.43 2qs2 s ALA 85 Cb -0.10 -1.72 0.08 0.00 0.00 0.00 0.00 23.12 21.38 2qs2 s ALA 85 CO 0.00 -0.82 -0.01 0.08 0.00 0.00 0.00 175.76 175.01 2qs2 s VAL 86 N 1.34 2.33 0.19 0.00 1.01 -0.84 -1.37 120.40 123.06 2qs2 s VAL 86 Ca 0.00 -2.00 -0.24 0.00 0.00 0.00 0.00 61.98 59.75 2qs2 s VAL 86 Cb -0.17 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.71 2qs2 s VAL 86 CO -0.04 -0.35 0.90 0.00 0.00 0.00 0.00 175.10 175.61 2qs2 s ALA 87 N 1.01 -1.52 -1.02 5.51 0.00 -1.26 -4.59 121.76 119.90 2qs2 s ALA 87 Ca 0.02 -0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.74 2qs2 s ALA 87 Cb -0.20 0.70 -0.09 0.00 0.00 0.00 0.00 23.12 23.53 2qs2 s ALA 87 CO -0.06 -1.04 1.96 -0.35 0.00 0.00 0.00 175.76 176.26 2qs2 n PRO 88 N -0.48 1.89 -3.89 0.00 -0.04 -1.26 -4.71 135.00 126.51 2qs2 n PRO 88 Ca -0.05 -2.24 -0.35 0.00 -0.04 0.00 0.00 63.50 60.82 2qs2 n PRO 88 Cb 0.60 -3.21 -0.14 0.00 -0.04 0.00 0.00 33.50 30.71 2qs2 n PRO 88 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qs2 s LEU 89 N 3.86 3.18 0.13 1.53 2.96 -1.26 -5.05 118.68 124.03 2qs2 s LEU 89 Ca 0.58 -0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 53.60 2qs2 s LEU 89 Cb 0.10 -1.75 -0.07 0.00 0.50 0.00 0.00 46.19 44.97 2qs2 s LEU 89 CO 0.09 -0.08 1.19 -0.89 -1.32 0.00 0.00 176.35 175.33 2qs2 s THR 90 N 1.44 3.80 -0.31 3.68 2.01 -1.26 -2.25 115.64 122.75 2qs2 s THR 90 Ca 0.04 1.41 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 2qs2 s THR 90 Cb -0.15 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.45 2qs2 s THR 90 CO -0.02 0.18 1.37 -0.63 -0.69 0.00 0.00 174.62 174.82 2qs2 s ILE 91 N 0.42 4.03 0.10 1.82 1.01 0.11 -4.89 121.20 123.80 2qs2 s ILE 91 Ca 0.55 1.14 0.04 0.00 0.00 0.00 0.00 60.65 62.39 2qs2 s ILE 91 Cb -0.31 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2qs2 s ILE 91 CO 0.33 -0.51 -0.11 0.42 0.00 0.00 0.00 174.94 175.07 2qs2 s THR 92 N 4.71 1.06 0.17 2.92 -4.23 -1.26 -4.65 115.64 114.36 2qs2 s THR 92 Ca 0.59 -1.64 -0.19 0.00 -1.18 0.00 0.00 61.69 59.27 2qs2 s THR 92 Cb -0.17 -1.39 0.09 0.00 1.34 0.00 0.00 72.50 72.37 2qs2 s THR 92 CO 0.26 -0.50 1.64 0.22 -0.54 0.00 0.00 174.62 175.70 2qs2 h TYR 93 N 3.59 -0.47 -0.75 3.99 3.20 -1.99 -1.41 116.97 123.14 2qs2 h TYR 93 Ca -0.38 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.49 2qs2 h TYR 93 Cb 1.19 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.69 2qs2 h TYR 93 CO 0.64 -0.27 0.29 -0.24 -1.64 0.00 0.00 178.16 176.94 2qs2 h VAL 94 N -0.12 1.25 -0.18 1.81 3.04 -2.00 -2.70 116.25 117.35 2qs2 h VAL 94 Ca 0.18 -0.81 -0.13 0.00 -1.01 0.00 0.00 66.70 64.94 2qs2 h VAL 94 Cb 0.41 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 2qs2 h VAL 94 CO -0.45 0.33 -0.44 0.03 -1.01 0.00 0.00 177.57 176.03 2qs2 h ARG 95 N 1.09 0.44 0.00 4.17 3.08 -1.86 -2.67 114.38 118.62 2qs2 h ARG 95 Ca 0.25 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2qs2 h ARG 95 Cb 0.22 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2qs2 h ARG 95 CO -0.02 0.80 0.00 0.93 -1.07 0.00 0.00 179.97 180.61 2qs2 h GLU 96 N 0.36 0.00 0.00 0.04 4.39 -0.93 -0.12 114.58 118.32 2qs2 h GLU 96 Ca 0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2qs2 h GLU 96 Cb 0.92 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2qs2 h GLU 96 CO 0.08 0.00 -0.15 0.87 -1.16 0.00 0.00 179.01 178.65 2qs2 h LYS 97 N 0.00 0.00 0.00 2.33 1.57 -1.36 -3.37 116.57 115.74 2qs2 h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qs2 h LYS 97 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2qs2 h LYS 97 CO 0.00 0.15 -0.48 1.33 -0.57 0.00 0.00 179.45 179.88 2qs2 n VAL 98 N -3.55 0.00 -4.16 0.50 0.24 -0.30 -5.08 118.33 105.98 2qs2 n VAL 98 Ca -0.01 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 2qs2 n VAL 98 Cb 0.30 0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 33.03 2qs2 n VAL 98 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2qs2 s ILE 99 N -1.10 0.08 0.28 1.34 -4.36 -0.21 -4.38 121.20 112.84 2qs2 s ILE 99 Ca 0.00 -1.92 0.06 0.00 -0.26 0.00 0.00 60.65 58.53 2qs2 s ILE 99 Cb 0.00 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 2qs2 s ILE 99 CO 0.00 -0.35 0.31 -1.81 0.24 0.00 0.00 174.94 173.33 2qs2 s ASP 100 N -3.07 5.77 0.00 4.36 1.01 0.21 -4.14 116.67 120.82 2qs2 s ASP 100 Ca 0.27 -0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.35 2qs2 s ASP 100 Cb 0.07 -1.41 -0.01 0.00 1.01 0.00 0.00 42.92 42.58 2qs2 s ASP 100 CO 0.04 -0.18 -0.05 -0.36 0.21 0.00 0.00 175.17 174.83 2qs2 s PHE 101 N -2.13 0.48 1.02 4.23 0.40 -1.26 -0.76 117.98 119.96 2qs2 s PHE 101 Ca 0.37 -0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.44 2qs2 s PHE 101 Cb -0.08 -0.31 0.20 0.00 0.51 0.00 0.00 43.02 43.34 2qs2 s PHE 101 CO 0.27 -0.02 1.08 -1.54 0.70 0.00 0.00 175.22 175.72 2qs2 s SER 102 N -0.31 2.19 0.83 1.36 1.04 0.11 -4.92 113.70 114.00 2qs2 s SER 102 Ca 0.00 1.75 -0.13 0.00 0.48 0.00 0.00 55.95 58.06 2qs2 s SER 102 Cb -0.03 -2.37 0.10 0.00 0.10 0.00 0.00 66.02 63.81 2qs2 s SER 102 CO -0.00 -3.48 1.19 -0.54 0.98 0.00 0.00 173.24 171.39 2qs2 s LYS 103 N -4.63 1.50 0.30 4.02 1.02 -1.26 -4.36 119.74 116.33 2qs2 s LYS 103 Ca 0.67 1.71 -0.29 0.00 0.02 0.00 0.00 55.97 58.08 2qs2 s LYS 103 Cb -0.23 -1.77 -0.10 0.00 -0.52 0.00 0.00 37.83 35.22 2qs2 s LYS 103 CO 0.61 -2.31 1.15 -1.25 -0.92 0.00 0.00 175.35 172.63 2qs2 s PRO 104 N -4.25 4.53 0.03 -1.68 0.04 -1.26 -4.58 135.00 127.83 2qs2 s PRO 104 Ca 0.72 1.89 0.23 0.00 0.04 0.00 0.00 61.00 63.88 2qs2 s PRO 104 Cb -0.27 -3.11 0.19 0.00 0.04 0.00 0.00 34.50 31.34 2qs2 s PRO 104 CO 0.52 0.08 1.17 1.97 0.04 0.00 0.00 177.00 180.78 2qs2 n PHE 105 N 1.00 0.16 -3.81 0.56 1.16 -0.31 -4.89 117.46 111.33 2qs2 n PHE 105 Ca -0.00 0.05 -0.13 0.00 -1.87 0.00 0.00 57.45 55.50 2qs2 n PHE 105 Cb 0.44 -0.32 -0.13 0.00 -1.61 0.00 0.00 39.48 37.86 2qs2 n PHE 105 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2qs2 s MET 106 N -3.10 0.14 -0.08 3.97 0.00 -1.24 -5.02 119.30 113.98 2qs2 s MET 106 Ca 0.07 0.23 0.04 0.00 0.00 0.00 0.00 55.69 56.04 2qs2 s MET 106 Cb 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 34.83 35.00 2qs2 s MET 106 CO 0.77 -0.05 -0.22 0.99 0.00 0.00 0.00 175.02 176.51 2qs2 s THR 107 N 0.33 1.88 0.06 10.11 2.01 -1.26 -1.28 115.64 127.49 2qs2 s THR 107 Ca -0.02 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 2qs2 s THR 107 Cb -0.03 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2qs2 s THR 107 CO -0.01 0.52 0.10 -1.48 -0.69 0.00 0.00 174.62 173.06 2qs2 s LEU 108 N 0.20 1.85 -0.00 4.42 2.34 -0.16 -4.96 118.68 122.37 2qs2 s LEU 108 Ca -0.13 -0.74 -0.16 0.00 0.06 0.00 0.00 54.13 53.16 2qs2 s LEU 108 Cb -0.16 0.67 0.03 0.00 -0.56 0.00 0.00 46.19 46.17 2qs2 s LEU 108 CO 0.06 -0.64 0.34 -0.83 -1.06 0.00 0.00 176.35 174.22 2qs2 s GLY 109 N -2.73 -0.19 0.27 -3.48 0.00 -1.26 -1.04 107.32 98.90 2qs2 s GLY 109 Ca 0.04 0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.79 2qs2 s GLY 109 CO -0.09 0.11 1.47 1.39 0.00 0.00 0.00 173.10 175.97 2qs2 n ILE 110 N 1.07 1.05 -3.70 0.90 5.41 -1.26 -0.19 119.36 122.63 2qs2 n ILE 110 Ca -0.21 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.28 2qs2 n ILE 110 Cb 0.57 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 2qs2 n ILE 110 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2qs2 n SER 111 N 2.06 0.00 -4.30 4.38 2.88 0.12 0.89 113.62 119.65 2qs2 n SER 111 Ca 0.10 -0.86 -0.33 0.00 -1.33 0.00 0.00 58.87 56.45 2qs2 n SER 111 Cb 0.34 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.64 2qs2 n SER 111 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2qs2 s ILE 112 N -2.04 2.59 -0.24 2.46 1.01 -1.23 -1.46 121.20 122.29 2qs2 s ILE 112 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 2qs2 s ILE 112 Cb 0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 2qs2 s ILE 112 CO 0.00 0.54 0.11 -0.22 0.00 0.00 0.00 174.94 175.37 2qs2 s LEU 113 N 0.39 3.78 0.36 2.97 2.96 0.12 -0.33 118.68 128.93 2qs2 s LEU 113 Ca -0.14 -0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 2qs2 s LEU 113 Cb -0.17 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.54 2qs2 s LEU 113 CO 0.07 0.03 0.60 -0.47 -1.32 0.00 0.00 176.35 175.26 2qs2 s TYR 114 N 1.23 0.71 0.58 5.38 5.04 -0.49 -0.91 117.35 128.89 2qs2 s TYR 114 Ca 0.06 -1.11 -0.13 0.00 -2.44 0.00 0.00 57.07 53.45 2qs2 s TYR 114 Cb -0.14 0.28 -0.05 0.00 0.35 0.00 0.00 41.96 42.39 2qs2 s TYR 114 CO 0.05 -1.31 1.02 1.03 -1.34 0.00 0.00 175.55 174.99 2qs2 s ARG 115 N -2.74 3.70 0.42 4.97 3.00 -1.26 -0.12 118.95 126.91 2qs2 s ARG 115 Ca 0.25 0.84 -0.22 0.00 0.00 0.00 0.00 55.73 56.59 2qs2 s ARG 115 Cb -0.02 -2.10 -0.10 0.00 0.00 0.00 0.00 34.95 32.73 2qs2 s ARG 115 CO 0.17 -0.48 1.00 0.15 0.00 0.00 0.00 175.30 176.14 2qs2 s LYS 116 N -4.74 4.17 0.00 3.54 1.02 -0.97 -4.39 119.74 118.36 2qs2 s LYS 116 Ca 0.57 1.32 0.00 0.00 0.02 0.00 0.00 55.97 57.88 2qs2 s LYS 116 Cb -0.11 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2qs2 s LYS 116 CO 0.45 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 2qs2 n GLY 117 N -0.07 0.83 3.85 -3.33 0.00 -1.26 -5.07 105.19 100.13 2qs2 n GLY 117 Ca 0.06 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2qs2 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qs2 s THR 118 N -2.00 4.82 -1.18 2.61 -4.23 -1.26 -5.01 115.64 109.39 2qs2 s THR 118 Ca 0.00 -0.86 0.08 0.00 -1.18 0.00 0.00 61.69 59.73 2qs2 s THR 118 Cb 0.00 -3.44 0.10 0.00 1.34 0.00 0.00 72.50 70.50 2qs2 s THR 118 CO 0.00 -0.05 1.20 -0.81 -0.54 0.00 0.00 174.62 174.42 2qs2 n PRO 119 N -0.24 0.05 -2.07 3.99 -0.04 -1.26 -4.77 135.00 130.65 2qs2 n PRO 119 Ca -0.08 0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 2qs2 n PRO 119 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2qs2 n PRO 119 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2qs2 s ILE 120 N -2.82 3.17 0.00 0.52 -1.09 -1.26 -4.89 121.20 114.84 2qs2 s ILE 120 Ca 0.06 0.75 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 2qs2 s ILE 120 Cb 0.05 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 2qs2 s ILE 120 CO 0.14 0.03 0.03 -0.67 -1.23 0.00 0.00 174.94 173.24 2qs2 n ASP 121 N 4.62 0.05 -3.37 3.58 2.03 -1.26 -4.90 116.55 117.30 2qs2 n ASP 121 Ca 0.13 -0.30 -0.08 0.00 0.52 0.00 0.00 54.79 55.06 2qs2 n ASP 121 Cb 0.41 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2qs2 n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2qs2 s SER 122 N -0.26 -0.12 0.31 1.67 1.04 -1.26 -2.82 113.70 112.26 2qs2 s SER 122 Ca 0.00 -0.90 0.07 0.00 0.48 0.00 0.00 55.95 55.61 2qs2 s SER 122 Cb 0.00 0.79 0.52 0.00 0.10 0.00 0.00 66.02 67.43 2qs2 s SER 122 CO 0.00 -1.53 1.75 0.00 0.98 0.00 0.00 173.24 174.44 2qs2 h ALA 123 N 2.00 1.19 -0.49 5.32 0.00 -1.97 -2.75 119.26 122.56 2qs2 h ALA 123 Ca -0.26 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2qs2 h ALA 123 Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2qs2 h ALA 123 CO 0.32 0.54 0.25 -0.44 0.00 0.00 0.00 179.25 179.92 2qs2 h ASP 124 N 0.21 0.61 -0.37 0.00 3.45 -1.96 -0.16 116.42 118.20 2qs2 h ASP 124 Ca 0.02 -0.05 -0.09 0.00 0.43 0.00 0.00 57.03 57.35 2qs2 h ASP 124 Cb 0.72 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.32 2qs2 h ASP 124 CO 0.05 0.51 -0.07 0.44 -1.57 0.00 0.00 179.24 178.61 2qs2 h ASP 125 N 0.69 0.78 -0.07 6.45 3.32 -1.89 -3.00 116.42 122.70 2qs2 h ASP 125 Ca 0.17 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.84 2qs2 h ASP 125 Cb 0.06 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.41 2qs2 h ASP 125 CO -0.03 0.89 -0.60 -0.07 -1.72 0.00 0.00 179.24 177.71 2qs2 h LEU 126 N 0.73 0.64 -1.09 1.55 3.38 -1.40 -3.36 115.31 115.76 2qs2 h LEU 126 Ca 0.13 -0.68 0.09 0.00 0.09 0.00 0.00 57.88 57.51 2qs2 h LEU 126 Cb 0.54 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2qs2 h LEU 126 CO 0.03 1.23 0.61 0.00 0.09 0.00 0.00 178.44 180.41 2qs2 h ALA 127 N 0.43 1.54 -0.35 1.53 0.00 -0.98 -2.74 119.26 118.69 2qs2 h ALA 127 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qs2 h ALA 127 Cb 1.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2qs2 h ALA 127 CO 0.12 0.27 0.00 0.36 0.00 0.00 0.00 179.25 180.00 2qs2 n LYS 128 N -4.55 2.50 -4.11 0.00 2.85 -1.14 -4.87 118.16 108.85 2qs2 n LYS 128 Ca 0.16 -1.54 -0.11 0.00 -1.05 0.00 0.00 58.31 55.78 2qs2 n LYS 128 Cb 0.29 -1.61 -0.09 0.00 -0.65 0.00 0.00 35.03 32.96 2qs2 n LYS 128 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2qs2 s GLN 129 N -1.71 1.22 0.00 -1.58 1.03 -1.03 -5.08 119.66 112.51 2qs2 s GLN 129 Ca 0.27 -1.45 0.00 0.00 0.04 0.00 0.00 55.36 54.22 2qs2 s GLN 129 Cb 0.18 0.32 0.00 0.00 0.03 0.00 0.00 33.01 33.54 2qs2 s GLN 129 CO 0.13 -0.42 0.00 2.41 -2.54 0.00 0.00 175.29 174.86 2qs2 n THR 130 N -0.25 0.00 0.14 3.63 -1.04 -1.26 -4.82 114.28 110.68 2qs2 n THR 130 Ca -0.01 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.05 61.72 2qs2 n THR 130 Cb 0.64 0.66 -0.07 0.00 -1.82 0.00 0.00 70.33 69.74 2qs2 n THR 130 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2qs2 h LYS 131 N 0.00 -0.28 -6.03 -2.82 1.79 -1.98 -3.38 116.57 103.87 2qs2 h LYS 131 Ca 0.00 0.02 -0.60 0.00 -2.18 0.00 0.00 60.65 57.89 2qs2 h LYS 131 Cb 0.00 0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 30.62 2qs2 h LYS 131 CO 0.00 -0.19 0.55 0.42 -1.08 0.00 0.00 179.45 179.15 2qs2 s ILE 132 N -6.15 4.60 0.37 1.86 1.01 -1.26 -5.02 121.20 116.62 2qs2 s ILE 132 Ca -0.15 1.06 -0.23 0.00 0.00 0.00 0.00 60.65 61.34 2qs2 s ILE 132 Cb 0.05 -4.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 2qs2 s ILE 132 CO 0.65 -0.56 0.93 -0.70 0.00 0.00 0.00 174.94 175.26 2qs2 s GLU 133 N 3.43 4.36 0.04 2.79 2.12 -1.03 -4.93 118.70 125.49 2qs2 s GLU 133 Ca 0.36 1.17 -0.06 0.00 0.36 0.00 0.00 54.97 56.81 2qs2 s GLU 133 Cb -0.12 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 2qs2 s GLU 133 CO 0.19 0.12 0.10 1.52 -0.54 0.00 0.00 175.26 176.66 2qs2 s TYR 134 N -1.91 0.21 0.00 5.30 -0.85 -1.26 -1.47 117.35 117.37 2qs2 s TYR 134 Ca 0.56 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 2qs2 s TYR 134 Cb -0.13 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.06 2qs2 s TYR 134 CO 0.18 -0.39 0.00 0.41 -1.52 0.00 0.00 175.55 174.23 2qs2 n GLY 135 N 0.63 1.13 3.24 5.49 0.00 -1.06 -4.67 105.19 109.95 2qs2 n GLY 135 Ca -0.18 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 2qs2 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qs2 s ALA 136 N -1.00 1.14 0.18 4.61 0.00 -1.25 -0.93 121.76 124.51 2qs2 s ALA 136 Ca 0.00 -1.68 -0.31 0.00 0.00 0.00 0.00 51.96 49.97 2qs2 s ALA 136 Cb 0.00 1.37 -0.10 0.00 0.00 0.00 0.00 23.12 24.39 2qs2 s ALA 136 CO 0.00 -0.62 1.55 0.08 0.00 0.00 0.00 175.76 176.77 2qs2 s VAL 137 N -4.05 2.60 0.17 0.00 1.01 -1.26 -1.76 120.40 117.11 2qs2 s VAL 137 Ca 0.38 0.44 -0.32 0.00 0.00 0.00 0.00 61.98 62.49 2qs2 s VAL 137 Cb 0.06 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 33.04 2qs2 s VAL 137 CO 0.14 0.04 1.75 -0.60 0.00 0.00 0.00 175.10 176.43 2qs2 s ARG 138 N 0.87 4.14 -1.20 2.72 3.52 0.62 -2.86 118.95 126.76 2qs2 s ARG 138 Ca 0.68 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.86 2qs2 s ARG 138 Cb -0.44 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2qs2 s ARG 138 CO 0.33 -0.77 0.00 -0.25 -0.81 0.00 0.00 175.30 173.80 2qs2 n ASP 139 N 4.68 -4.71 -4.66 -2.12 8.00 -1.26 -4.99 116.55 111.49 2qs2 n ASP 139 Ca 0.16 0.28 -0.24 0.00 0.71 0.00 0.00 54.79 55.71 2qs2 n ASP 139 Cb 0.37 -3.20 0.11 0.00 -0.02 0.00 0.00 41.12 38.38 2qs2 n ASP 139 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2qs2 s GLY 140 N -2.70 1.75 0.26 0.44 0.00 -1.13 -4.92 107.32 101.02 2qs2 s GLY 140 Ca 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 42.89 2qs2 s GLY 140 CO 0.00 -1.20 1.91 1.48 0.00 0.00 0.00 173.10 175.29 2qs2 h SER 141 N -0.55 1.04 -0.37 1.64 4.64 -1.95 -1.75 113.55 116.26 2qs2 h SER 141 Ca -0.36 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 60.83 2qs2 h SER 141 Cb 1.26 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2qs2 h SER 141 CO 0.39 0.80 -0.05 0.74 -0.87 0.00 0.00 176.83 177.84 2qs2 h THR 142 N 1.20 1.27 -0.44 2.95 2.02 -1.93 -0.14 112.91 117.84 2qs2 h THR 142 Ca 0.31 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 2qs2 h THR 142 Cb -0.05 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2qs2 h THR 142 CO -0.06 0.36 0.23 -0.03 0.37 0.00 0.00 175.52 176.39 2qs2 h MET 143 N 0.48 0.62 -0.87 6.66 -1.53 -1.72 -2.93 114.93 115.65 2qs2 h MET 143 Ca 0.10 -0.08 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 2qs2 h MET 143 Cb 0.54 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 31.43 2qs2 h MET 143 CO 0.03 0.51 0.53 1.15 0.14 0.00 0.00 176.91 179.27 2qs2 h THR 144 N 0.57 1.24 0.12 -0.77 2.02 -1.10 -1.16 112.91 113.82 2qs2 h THR 144 Ca 0.15 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.84 2qs2 h THR 144 Cb 0.08 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.45 2qs2 h THR 144 CO -0.02 0.25 -0.39 0.15 0.37 0.00 0.00 175.52 175.87 2qs2 h PHE 145 N 1.20 -1.10 -0.38 3.16 3.57 -0.85 -0.75 116.94 121.79 2qs2 h PHE 145 Ca 0.31 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.85 2qs2 h PHE 145 Cb -0.06 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2qs2 h PHE 145 CO 0.00 -0.49 0.25 0.74 -2.23 0.00 0.00 178.31 176.58 2qs2 h PHE 146 N -0.62 0.46 -0.20 0.41 -1.00 -1.29 -0.50 116.94 114.19 2qs2 h PHE 146 Ca 0.03 0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.70 2qs2 h PHE 146 Cb 0.65 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2qs2 h PHE 146 CO -0.35 0.28 -0.37 -0.22 -1.61 0.00 0.00 178.31 176.05 2qs2 h LYS 147 N 0.49 0.44 0.00 1.51 3.11 -0.72 -3.20 116.57 118.20 2qs2 h LYS 147 Ca 0.14 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2qs2 h LYS 147 Cb -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 2qs2 h LYS 147 CO -0.03 0.75 -0.91 1.63 -2.81 0.00 0.00 179.45 178.08 2qs2 n LYS 148 N -4.05 0.21 -2.15 1.90 5.02 -0.33 -4.98 118.16 113.78 2qs2 n LYS 148 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 2qs2 n LYS 148 Cb 0.48 -1.58 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 2qs2 n LYS 148 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qs2 s SER 149 N -3.70 6.77 0.00 4.39 0.15 -0.26 -4.93 113.70 116.12 2qs2 s SER 149 Ca 0.06 2.64 0.15 0.00 0.70 0.00 0.00 55.95 59.50 2qs2 s SER 149 Cb 0.15 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2qs2 s SER 149 CO 0.78 -0.53 0.83 0.29 1.20 0.00 0.00 173.24 175.81 2qs2 n LYS 150 N 0.75 1.71 -2.07 5.44 5.02 -1.26 -4.64 118.16 123.11 2qs2 n LYS 150 Ca 0.00 -0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 55.05 2qs2 n LYS 150 Cb 0.42 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 2qs2 n LYS 150 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qs2 s ILE 151 N -1.77 3.27 0.19 -0.18 1.01 -1.26 -4.91 121.20 117.55 2qs2 s ILE 151 Ca 0.13 0.76 -0.12 0.00 0.00 0.00 0.00 60.65 61.42 2qs2 s ILE 151 Cb 0.12 -3.49 0.10 0.00 0.01 0.00 0.00 42.46 39.20 2qs2 s ILE 151 CO 0.37 0.01 1.77 0.77 0.00 0.00 0.00 174.94 177.86 2qs2 h SER 152 N 7.77 0.33 0.29 3.58 4.64 -1.99 0.08 113.55 128.26 2qs2 h SER 152 Ca -0.41 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 2qs2 h SER 152 Cb 1.19 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2qs2 h SER 152 CO 0.91 0.22 -0.25 0.00 -0.87 0.00 0.00 176.83 176.84 2qs2 h THR 153 N 0.48 1.09 0.00 2.95 1.03 -1.99 -1.30 112.91 115.16 2qs2 h THR 153 Ca 0.25 -0.87 -0.04 0.00 -0.01 0.00 0.00 66.41 65.75 2qs2 h THR 153 Cb 0.21 1.48 -0.01 0.00 -1.07 0.00 0.00 68.15 68.76 2qs2 h THR 153 CO -0.20 0.24 -0.83 1.88 -0.01 0.00 0.00 175.52 176.60 2qs2 h TYR 154 N 0.00 0.00 -0.43 0.00 0.99 -1.75 -2.63 116.97 113.16 2qs2 h TYR 154 Ca -0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 2qs2 h TYR 154 Cb 0.46 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.18 2qs2 h TYR 154 CO 0.00 0.15 -0.27 0.93 -0.00 0.00 0.00 178.16 178.97 2qs2 h GLU 155 N 0.00 0.93 -0.36 4.88 5.08 -0.55 0.02 114.58 124.59 2qs2 h GLU 155 Ca -0.03 -0.44 -0.12 0.00 -1.00 0.00 0.00 59.36 57.77 2qs2 h GLU 155 Cb 1.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2qs2 h GLU 155 CO 0.01 1.10 -0.28 -0.22 -1.00 0.00 0.00 179.01 178.62 2qs2 h LYS 156 N 0.77 0.75 -0.54 2.33 3.64 -1.32 -0.36 116.57 121.84 2qs2 h LYS 156 Ca 0.09 -0.33 -0.11 0.00 -1.27 0.00 0.00 60.65 59.03 2qs2 h LYS 156 Cb 0.85 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2qs2 h LYS 156 CO 0.07 0.94 -0.10 0.52 -2.27 0.00 0.00 179.45 178.62 2qs2 h MET 157 N 0.64 1.01 -0.54 1.90 2.86 -1.41 -2.32 114.93 117.07 2qs2 h MET 157 Ca 0.08 -0.37 -0.11 0.00 -2.06 0.00 0.00 59.70 57.24 2qs2 h MET 157 Cb 0.80 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 2qs2 h MET 157 CO 0.07 1.05 -0.08 2.35 1.06 0.00 0.00 176.91 181.36 2qs2 h TRP 158 N 0.90 1.10 -0.53 -0.22 -0.00 -0.85 -1.97 115.95 114.39 2qs2 h TRP 158 Ca 0.14 -0.21 0.07 0.00 -0.00 0.00 0.00 58.89 58.88 2qs2 h TRP 158 Cb 0.66 -0.28 -0.06 0.00 -0.00 0.00 0.00 29.16 29.49 2qs2 h TRP 158 CO 0.04 1.02 0.22 0.00 -0.00 0.00 0.00 178.44 179.72 2qs2 h ALA 159 N 1.00 0.67 -0.50 2.65 0.00 -0.91 0.18 119.26 122.35 2qs2 h ALA 159 Ca 0.15 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2qs2 h ALA 159 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2qs2 h ALA 159 CO 0.04 -0.16 0.05 0.35 0.00 0.00 0.00 179.25 179.54 2qs2 h PHE 160 N 0.43 0.92 -0.53 0.00 3.57 -1.30 -1.68 116.94 118.34 2qs2 h PHE 160 Ca 0.25 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 2qs2 h PHE 160 Cb 0.24 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2qs2 h PHE 160 CO -0.14 0.84 -0.10 0.52 -2.23 0.00 0.00 178.31 177.20 2qs2 h MET 161 N 0.73 1.00 -0.06 1.11 2.86 -0.94 -2.36 114.93 117.27 2qs2 h MET 161 Ca 0.15 -0.37 -0.23 0.00 -2.06 0.00 0.00 59.70 57.19 2qs2 h MET 161 Cb 0.44 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.04 2qs2 h MET 161 CO 0.02 1.05 -0.88 0.66 1.06 0.00 0.00 176.91 178.82 2qs2 h SER 162 N 0.87 0.71 0.48 1.22 4.64 -0.62 -2.91 113.55 117.95 2qs2 h SER 162 Ca 0.14 -0.52 -0.15 0.00 -0.47 0.00 0.00 61.79 60.78 2qs2 h SER 162 Cb 0.66 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2qs2 h SER 162 CO 0.05 1.31 -0.67 0.77 -0.87 0.00 0.00 176.83 177.41 2qs2 h SER 163 N 0.36 0.20 -0.99 4.97 4.64 -1.34 -2.87 113.55 118.51 2qs2 h SER 163 Ca -0.07 -0.13 -0.63 0.00 -0.47 0.00 0.00 61.79 60.49 2qs2 h SER 163 Cb 1.50 -0.06 -0.30 0.00 -0.31 0.00 0.00 62.40 63.24 2qs2 h SER 163 CO 0.16 0.81 0.79 -1.14 -0.87 0.00 0.00 176.83 176.58 2qs2 n ARG 164 N -3.80 2.58 -0.22 4.77 3.00 -0.89 -4.83 116.66 117.27 2qs2 n ARG 164 Ca -0.02 -3.22 -0.03 0.00 -0.00 0.00 0.00 57.85 54.57 2qs2 n ARG 164 Cb 0.66 -2.26 0.03 0.00 0.00 0.00 0.00 32.46 30.89 2qs2 n ARG 164 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2qs2 h GLN 165 N 1.72 -0.11 -0.90 -0.14 -0.00 -1.29 0.20 115.11 114.60 2qs2 h GLN 165 Ca 0.61 0.01 0.08 0.00 -0.00 0.00 0.00 58.65 59.34 2qs2 h GLN 165 Cb 1.39 0.02 -0.07 0.00 0.00 0.00 0.00 27.48 28.83 2qs2 h GLN 165 CO 1.45 -0.07 0.56 1.96 0.00 0.00 0.00 178.83 182.72 2qs2 h GLN 166 N -0.11 0.96 0.00 1.69 7.50 -1.88 -3.08 115.11 120.19 2qs2 h GLN 166 Ca 0.27 -0.06 -0.36 0.00 0.50 0.00 0.00 58.65 59.00 2qs2 h GLN 166 Cb 0.54 -0.22 -0.06 0.00 0.05 0.00 0.00 27.48 27.80 2qs2 h GLN 166 CO -0.70 0.63 -2.27 -1.13 -1.50 0.00 0.00 178.83 173.86 2qs2 n SER 167 N -4.62 1.93 -0.21 1.46 3.41 -0.92 -4.63 113.62 110.05 2qs2 n SER 167 Ca 0.14 0.11 -0.01 0.00 -0.26 0.00 0.00 58.87 58.85 2qs2 n SER 167 Cb 0.22 -0.54 0.22 0.00 -0.26 0.00 0.00 64.21 63.85 2qs2 n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qs2 h ALA 168 N -0.47 1.37 -2.93 7.33 0.00 -0.73 -3.41 119.26 120.42 2qs2 h ALA 168 Ca -0.54 -0.10 -0.60 0.00 0.00 0.00 0.00 54.91 53.67 2qs2 h ALA 168 Cb 1.62 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 2qs2 h ALA 168 CO -0.24 0.53 -0.26 -0.51 0.00 0.00 0.00 179.25 178.77 2qs2 s LEU 169 N -9.74 4.31 0.35 0.00 1.43 -1.16 -3.74 118.68 110.13 2qs2 s LEU 169 Ca -0.11 0.68 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 2qs2 s LEU 169 Cb 0.17 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 2qs2 s LEU 169 CO 0.79 0.15 0.39 0.68 0.23 0.00 0.00 176.35 178.58 2qs2 s VAL 170 N 0.06 3.65 0.06 -1.59 -7.23 -0.72 -4.83 120.40 109.80 2qs2 s VAL 170 Ca 0.20 -1.20 -0.16 0.00 -1.81 0.00 0.00 61.98 59.01 2qs2 s VAL 170 Cb -0.14 -3.25 -0.17 0.00 0.56 0.00 0.00 36.38 33.38 2qs2 s VAL 170 CO 0.08 -0.14 1.25 0.50 -0.31 0.00 0.00 175.10 176.47 2qs2 h LYS 171 N 1.05 0.60 -3.67 4.82 3.64 -1.94 0.18 116.57 121.25 2qs2 h LYS 171 Ca -0.45 -0.48 -0.10 0.00 -1.27 0.00 0.00 60.65 58.35 2qs2 h LYS 171 Cb 1.26 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 2qs2 h LYS 171 CO 0.55 1.11 -0.08 0.54 -2.27 0.00 0.00 179.45 179.30 2qs2 s ASN 172 N -6.79 0.16 0.23 4.20 2.20 -1.26 -4.52 114.94 109.17 2qs2 s ASN 172 Ca -0.12 -1.08 -0.08 0.00 -0.94 0.00 0.00 52.86 50.64 2qs2 s ASN 172 Cb 0.06 0.64 0.23 0.00 -2.00 0.00 0.00 41.25 40.18 2qs2 s ASN 172 CO 0.85 -1.25 1.90 0.28 -2.94 0.00 0.00 177.10 175.94 2qs2 h SER 173 N 2.18 1.01 -0.77 3.54 0.02 -1.99 -1.52 113.55 116.02 2qs2 h SER 173 Ca -0.27 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2qs2 h SER 173 Cb 1.25 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 2qs2 h SER 173 CO 0.36 0.72 0.50 0.44 -1.14 0.00 0.00 176.83 177.71 2qs2 h ASP 174 N 1.19 0.84 -0.48 3.07 3.32 -1.99 -0.62 116.42 121.75 2qs2 h ASP 174 Ca 0.33 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 2qs2 h ASP 174 Cb -0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 2qs2 h ASP 174 CO -0.08 0.60 0.16 -0.08 -1.72 0.00 0.00 179.24 178.11 2qs2 h GLU 175 N 1.00 0.74 -0.68 3.56 4.81 -1.88 -2.56 114.58 119.56 2qs2 h GLU 175 Ca 0.30 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2qs2 h GLU 175 Cb -0.05 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 2qs2 h GLU 175 CO -0.09 0.69 0.30 0.78 -0.73 0.00 0.00 179.01 179.97 2qs2 h GLY 176 N 0.63 1.08 0.99 1.92 0.00 -0.84 -0.32 103.07 106.53 2qs2 h GLY 176 Ca 0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2qs2 h GLY 176 CO -0.01 0.53 0.29 -2.22 0.00 0.00 0.00 176.54 175.14 2qs2 h ILE 177 N 0.96 1.20 -0.69 2.60 2.04 -1.11 -0.34 117.51 122.16 2qs2 h ILE 177 Ca 0.23 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2qs2 h ILE 177 Cb 0.16 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2qs2 h ILE 177 CO -0.02 0.22 0.36 -0.61 0.00 0.00 0.00 178.15 178.10 2qs2 h GLN 178 N 0.77 0.97 -0.54 2.37 5.75 -1.10 0.20 115.11 123.52 2qs2 h GLN 178 Ca 0.20 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 2qs2 h GLN 178 Cb 0.08 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 2qs2 h GLN 178 CO -0.03 0.72 -0.03 0.00 -2.65 0.00 0.00 178.83 176.85 2qs2 h ARG 179 N 0.97 0.96 -0.39 1.69 2.47 -0.65 -0.68 114.38 118.75 2qs2 h ARG 179 Ca 0.24 -0.30 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2qs2 h ARG 179 Cb 0.05 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 2qs2 h ARG 179 CO -0.04 0.96 0.15 0.28 0.56 0.00 0.00 179.97 181.88 2qs2 h VAL 180 N 0.87 1.20 0.00 2.04 2.07 -0.52 -0.23 116.25 121.69 2qs2 h VAL 180 Ca 0.16 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 2qs2 h VAL 180 Cb 0.55 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2qs2 h VAL 180 CO 0.03 0.22 -0.36 -0.07 0.02 0.00 0.00 177.57 177.41 2qs2 h LEU 181 N 0.49 0.00 0.00 2.57 3.38 -0.71 -3.36 115.31 117.69 2qs2 h LEU 181 Ca 0.13 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 2qs2 h LEU 181 Cb 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2qs2 h LEU 181 CO -0.01 0.36 -1.77 0.35 0.09 0.00 0.00 178.44 177.47 2qs2 n THR 182 N -3.61 0.77 -4.36 0.22 -2.24 -0.29 -5.05 114.28 99.73 2qs2 n THR 182 Ca -0.01 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.08 2qs2 n THR 182 Cb 0.48 -0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 67.86 2qs2 n THR 182 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qs2 s THR 183 N -2.27 2.42 -1.24 4.28 -4.23 -0.10 -5.04 115.64 109.46 2qs2 s THR 183 Ca -0.08 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.30 2qs2 s THR 183 Cb 0.04 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 2qs2 s THR 183 CO 0.43 -0.12 1.85 -0.67 -0.54 0.00 0.00 174.62 175.57 2qs2 n ASP 184 N -1.01 3.98 -3.86 3.99 2.03 -1.26 -4.53 116.55 115.89 2qs2 n ASP 184 Ca -0.04 -2.81 -0.12 0.00 0.52 0.00 0.00 54.79 52.34 2qs2 n ASP 184 Cb 0.64 -1.72 -0.14 0.00 -0.72 0.00 0.00 41.12 39.18 2qs2 n ASP 184 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2qs2 s TYR 185 N 7.22 -0.01 -0.13 -0.67 5.04 -1.26 -2.47 117.35 125.08 2qs2 s TYR 185 Ca 0.60 0.03 0.01 0.00 -2.44 0.00 0.00 57.07 55.27 2qs2 s TYR 185 Cb 0.03 -0.01 -0.01 0.00 0.35 0.00 0.00 41.96 42.32 2qs2 s TYR 185 CO 0.10 -0.01 -0.16 0.00 -1.34 0.00 0.00 175.55 174.15 2qs2 s ALA 186 N 0.05 2.51 -0.20 3.97 0.00 -0.54 -4.46 121.76 123.09 2qs2 s ALA 186 Ca -0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 2qs2 s ALA 186 Cb -0.01 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 2qs2 s ALA 186 CO -0.00 0.21 0.14 -1.17 0.00 0.00 0.00 175.76 174.94 2qs2 s LEU 187 N 0.42 4.22 -0.27 0.00 2.96 -0.08 -2.56 118.68 123.36 2qs2 s LEU 187 Ca -0.12 0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 53.83 2qs2 s LEU 187 Cb -0.16 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 2qs2 s LEU 187 CO 0.06 0.18 0.66 -0.76 -1.32 0.00 0.00 176.35 175.17 2qs2 s LEU 188 N 0.32 4.09 0.22 -0.68 2.01 -0.11 0.11 118.68 124.63 2qs2 s LEU 188 Ca 0.09 0.65 -0.16 0.00 0.01 0.00 0.00 54.13 54.72 2qs2 s LEU 188 Cb -0.11 -2.89 0.01 0.00 0.01 0.00 0.00 46.19 43.21 2qs2 s LEU 188 CO -0.02 -0.44 0.51 0.00 1.01 0.00 0.00 176.35 177.42 2qs2 s MET 189 N 2.60 1.46 0.34 1.70 0.23 -0.53 -4.53 119.30 120.58 2qs2 s MET 189 Ca 0.27 -1.04 -0.29 0.00 -1.03 0.00 0.00 55.69 53.61 2qs2 s MET 189 Cb -0.15 0.50 -0.11 0.00 -1.53 0.00 0.00 34.83 33.54 2qs2 s MET 189 CO 0.10 -0.62 1.39 -1.21 -2.03 0.00 0.00 175.02 172.65 2qs2 s GLU 190 N -3.94 4.25 0.30 3.16 0.41 -1.26 0.13 118.70 121.75 2qs2 s GLU 190 Ca 0.14 2.36 0.04 0.00 -0.41 0.00 0.00 54.97 57.11 2qs2 s GLU 190 Cb -0.01 -3.03 0.66 0.00 -1.78 0.00 0.00 34.13 29.96 2qs2 s GLU 190 CO 0.03 -0.34 1.81 0.66 -0.49 0.00 0.00 175.26 176.93 2qs2 h SER 191 N 3.37 0.85 -0.38 -0.19 4.64 -0.89 -0.85 113.55 120.10 2qs2 h SER 191 Ca -0.49 0.07 0.06 0.00 -0.47 0.00 0.00 61.79 60.96 2qs2 h SER 191 Cb 1.23 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.18 2qs2 h SER 191 CO 0.66 0.38 0.06 0.71 -0.87 0.00 0.00 176.83 177.77 2qs2 h THR 192 N 0.87 0.79 -0.62 2.95 1.35 -1.91 -0.85 112.91 115.49 2qs2 h THR 192 Ca 0.54 -0.06 -0.09 0.00 -0.55 0.00 0.00 66.41 66.25 2qs2 h THR 192 Cb 0.70 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 2qs2 h THR 192 CO -0.32 0.03 0.05 0.28 -0.25 0.00 0.00 175.52 175.31 2qs2 h SER 193 N 0.18 1.03 -0.41 5.36 0.02 -1.56 -1.75 113.55 116.42 2qs2 h SER 193 Ca 0.18 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2qs2 h SER 193 Cb 0.22 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2qs2 h SER 193 CO -0.25 1.06 0.26 0.40 -1.14 0.00 0.00 176.83 177.15 2qs2 h ILE 194 N 0.96 1.13 -0.63 3.27 2.04 -1.10 -0.71 117.51 122.47 2qs2 h ILE 194 Ca 0.18 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.80 2qs2 h ILE 194 Cb 0.50 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2qs2 h ILE 194 CO 0.02 0.12 0.39 -0.33 0.00 0.00 0.00 178.15 178.35 2qs2 h GLU 195 N 0.55 0.74 -0.51 2.37 5.08 -0.95 0.12 114.58 121.98 2qs2 h GLU 195 Ca 0.15 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2qs2 h GLU 195 Cb -0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2qs2 h GLU 195 CO -0.03 0.49 0.20 -0.92 -1.00 0.00 0.00 179.01 177.75 2qs2 h TYR 196 N 0.76 0.78 -0.16 4.33 3.20 -1.01 -2.53 116.97 122.35 2qs2 h TYR 196 Ca 0.25 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 2qs2 h TYR 196 Cb 0.02 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 2qs2 h TYR 196 CO -0.05 0.65 -0.26 0.28 -1.64 0.00 0.00 178.16 177.14 2qs2 h VAL 197 N 0.69 1.35 0.00 1.81 2.07 -0.77 -3.24 116.25 118.17 2qs2 h VAL 197 Ca 0.17 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.15 2qs2 h VAL 197 Cb 0.21 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2qs2 h VAL 197 CO -0.01 0.45 -0.25 0.71 0.02 0.00 0.00 177.57 178.49 2qs2 h THR 198 N 0.08 1.04 0.00 2.57 1.35 -0.76 0.22 112.91 117.42 2qs2 h THR 198 Ca 0.01 -0.88 -0.02 0.00 -0.55 0.00 0.00 66.41 64.97 2qs2 h THR 198 Cb 0.84 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2qs2 h THR 198 CO 0.06 0.24 -0.11 1.56 -0.25 0.00 0.00 175.52 177.02 2qs2 h GLN 199 N 0.00 0.00 0.00 4.72 1.08 -1.48 -3.19 115.11 116.24 2qs2 h GLN 199 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qs2 h GLN 199 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2qs2 h GLN 199 CO 0.03 0.11 -0.78 0.54 -0.95 0.00 0.00 178.83 177.78 2qs2 n ARG 200 N -3.47 2.39 -3.84 1.46 1.74 -0.09 -4.00 116.66 110.86 2qs2 n ARG 200 Ca -0.01 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 2qs2 n ARG 200 Cb 0.26 -1.13 -0.16 0.00 -1.02 0.00 0.00 32.46 30.41 2qs2 n ARG 200 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2qs2 s ASN 201 N -2.43 3.80 0.25 0.55 0.01 0.60 -5.01 114.94 112.71 2qs2 s ASN 201 Ca 0.03 -1.35 0.25 0.00 -0.71 0.00 0.00 52.86 51.08 2qs2 s ASN 201 Cb 0.09 -1.00 0.93 0.00 0.41 0.00 0.00 41.25 41.68 2qs2 s ASN 201 CO 0.52 -0.32 1.74 0.00 -1.51 0.00 0.00 177.10 177.53 2qs2 n ASN 203 N -2.27 0.52 -4.81 0.00 3.02 -1.26 -4.89 115.26 105.56 2qs2 n ASN 203 Ca 0.03 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.57 2qs2 n ASN 203 Cb 0.30 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 2qs2 n ASN 203 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qs2 s LEU 204 N -3.78 3.95 0.09 3.41 1.02 -0.96 -2.28 118.68 120.13 2qs2 s LEU 204 Ca 0.10 0.06 -0.09 0.00 0.02 0.00 0.00 54.13 54.22 2qs2 s LEU 204 Cb 0.15 -2.61 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2qs2 s LEU 204 CO 0.63 0.17 0.21 0.28 0.02 0.00 0.00 176.35 177.66 2qs2 s THR 205 N -1.43 0.14 0.25 5.49 -1.32 0.82 -4.80 115.64 114.79 2qs2 s THR 205 Ca 0.31 -1.13 -0.29 0.00 -1.21 0.00 0.00 61.69 59.37 2qs2 s THR 205 Cb -0.12 -1.33 -0.09 0.00 -1.51 0.00 0.00 72.50 69.45 2qs2 s THR 205 CO 0.24 -0.62 0.93 -1.58 -2.21 0.00 0.00 174.62 171.38 2qs2 s GLN 206 N -3.86 4.81 -0.21 7.08 0.74 -1.26 -1.40 119.66 125.57 2qs2 s GLN 206 Ca 0.05 1.45 -0.02 0.00 0.05 0.00 0.00 55.36 56.89 2qs2 s GLN 206 Cb 0.05 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.95 2qs2 s GLN 206 CO -0.11 0.49 -0.10 0.42 -0.55 0.00 0.00 175.29 175.44 2qs2 s ILE 207 N -1.24 2.84 0.00 -2.34 -1.09 0.55 -4.93 121.20 114.99 2qs2 s ILE 207 Ca 0.42 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2qs2 s ILE 207 Cb -0.25 -2.27 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 2qs2 s ILE 207 CO 0.31 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.08 2qs2 n GLY 208 N 4.72 -1.24 0.00 6.18 0.00 -1.13 -3.58 105.19 110.14 2qs2 n GLY 208 Ca -0.19 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2qs2 n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qs2 n GLY 209 N 0.00 2.76 3.72 -0.02 0.00 -1.26 -4.88 105.19 105.51 2qs2 n GLY 209 Ca 0.00 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 2qs2 n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qs2 s LEU 210 N 0.00 4.40 0.01 0.99 1.43 -1.26 -4.56 118.68 119.69 2qs2 s LEU 210 Ca 0.00 1.51 0.04 0.00 -1.03 0.00 0.00 54.13 54.65 2qs2 s LEU 210 Cb 0.00 -3.36 -0.24 0.00 0.03 0.00 0.00 46.19 42.62 2qs2 s LEU 210 CO 0.00 -0.11 0.87 0.40 0.23 0.00 0.00 176.35 177.74 2qs2 h ILE 211 N 4.47 1.16 -2.15 -0.59 2.04 0.22 -3.48 117.51 119.18 2qs2 h ILE 211 Ca -0.42 -2.90 0.00 0.00 1.00 0.00 0.00 64.86 62.54 2qs2 h ILE 211 Cb 1.21 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 2qs2 h ILE 211 CO 0.73 0.75 0.00 -0.90 0.00 0.00 0.00 178.15 178.74 2qs2 n ASP 212 N -3.29 0.34 -3.76 1.72 5.75 -1.26 -4.92 116.55 111.13 2qs2 n ASP 212 Ca -0.13 -0.81 -0.13 0.00 -0.01 0.00 0.00 54.79 53.71 2qs2 n ASP 212 Cb 1.02 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 41.00 2qs2 n ASP 212 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2qs2 s SER 213 N -0.63 -0.33 0.24 -1.12 0.15 -1.26 -4.19 113.70 106.55 2qs2 s SER 213 Ca 0.00 0.64 -0.20 0.00 0.70 0.00 0.00 55.95 57.09 2qs2 s SER 213 Cb 0.00 0.63 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 2qs2 s SER 213 CO 0.00 -0.12 0.64 -1.59 1.20 0.00 0.00 173.24 173.37 2qs2 s LYS 214 N 0.35 1.59 0.11 5.44 -2.85 -0.20 -5.00 119.74 119.17 2qs2 s LYS 214 Ca -0.01 -0.89 0.07 0.00 -1.00 0.00 0.00 55.97 54.14 2qs2 s LYS 214 Cb -0.03 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 36.28 2qs2 s LYS 214 CO -0.01 -0.71 -0.19 0.20 0.10 0.00 0.00 175.35 174.74 2qs2 s GLY 215 N -2.89 1.17 -0.11 0.59 0.00 -1.26 -0.99 107.32 103.84 2qs2 s GLY 215 Ca 0.10 -1.24 -0.18 0.00 0.00 0.00 0.00 44.72 43.40 2qs2 s GLY 215 CO 0.01 -1.25 0.47 -0.19 0.00 0.00 0.00 173.10 172.13 2qs2 s TYR 216 N -1.39 3.53 0.19 1.90 4.12 -0.41 -0.71 117.35 124.58 2qs2 s TYR 216 Ca 0.06 0.89 0.03 0.00 0.02 0.00 0.00 57.07 58.07 2qs2 s TYR 216 Cb -0.09 -2.53 -0.05 0.00 -1.52 0.00 0.00 41.96 37.78 2qs2 s TYR 216 CO 0.04 0.21 -0.03 0.20 0.02 0.00 0.00 175.55 175.99 2qs2 s GLY 217 N 0.49 1.32 -0.11 0.71 0.00 -0.96 -1.16 107.32 107.62 2qs2 s GLY 217 Ca 0.25 -1.64 -0.29 0.00 0.00 0.00 0.00 44.72 43.05 2qs2 s GLY 217 CO 0.10 -1.61 0.96 0.14 0.00 0.00 0.00 173.10 172.70 2qs2 s VAL 218 N -3.46 4.82 0.23 1.40 1.01 -1.26 -4.61 120.40 118.53 2qs2 s VAL 218 Ca 0.24 1.95 -0.19 0.00 0.00 0.00 0.00 61.98 63.97 2qs2 s VAL 218 Cb 0.05 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 2qs2 s VAL 218 CO 0.05 0.03 0.73 -0.83 0.00 0.00 0.00 175.10 175.08 2qs2 s GLY 219 N 1.09 2.59 0.11 4.51 0.00 -0.47 -0.71 107.32 114.44 2qs2 s GLY 219 Ca 0.46 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 45.32 2qs2 s GLY 219 CO 0.17 0.51 0.07 -0.51 0.00 0.00 0.00 173.10 173.34 2qs2 s THR 220 N -1.57 0.14 0.72 0.90 -4.23 0.06 -0.45 115.64 111.22 2qs2 s THR 220 Ca 0.44 -1.77 -0.15 0.00 -1.18 0.00 0.00 61.69 59.04 2qs2 s THR 220 Cb -0.16 -1.81 0.04 0.00 1.34 0.00 0.00 72.50 71.91 2qs2 s THR 220 CO 0.21 -0.62 1.17 -2.84 -0.54 0.00 0.00 174.62 172.00 2qs2 s PRO 221 N -3.99 2.25 0.15 3.99 0.02 -1.26 -0.62 135.00 135.55 2qs2 s PRO 221 Ca 0.17 1.63 -0.34 0.00 0.02 0.00 0.00 61.00 62.48 2qs2 s PRO 221 Cb 0.07 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.59 2qs2 s PRO 221 CO -0.03 -1.73 1.58 -0.89 -0.33 0.00 0.00 177.00 175.60 2qs2 n ILE 222 N -2.76 0.01 -0.41 2.83 5.41 -1.26 -1.82 119.36 121.37 2qs2 n ILE 222 Ca 0.12 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 2qs2 n ILE 222 Cb 0.51 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 2qs2 n ILE 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qs2 n GLY 223 N 3.42 1.06 3.66 7.39 0.00 -1.26 -4.98 105.19 114.48 2qs2 n GLY 223 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 2qs2 n GLY 223 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qs2 n SER 224 N 0.00 2.85 0.00 1.61 2.88 -0.76 -4.86 113.62 115.34 2qs2 n SER 224 Ca 0.00 1.09 0.10 0.00 -1.33 0.00 0.00 58.87 58.73 2qs2 n SER 224 Cb 0.00 -1.38 0.58 0.00 -0.75 0.00 0.00 64.21 62.65 2qs2 n SER 224 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2qs2 n PRO 225 N 3.30 0.47 0.13 -1.46 -0.04 -1.26 -2.94 135.00 133.20 2qs2 n PRO 225 Ca 0.17 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 2qs2 n PRO 225 Cb 0.27 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.27 2qs2 n PRO 225 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2qs2 h TYR 226 N 0.00 0.00 0.42 0.54 -1.99 -1.97 -3.40 116.97 110.57 2qs2 h TYR 226 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2qs2 h TYR 226 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 2qs2 h TYR 226 CO 0.00 0.05 -0.27 -0.09 -0.00 0.00 0.00 178.16 177.84 2qs2 h ARG 227 N 0.00 -0.65 -0.26 4.88 1.12 -1.93 0.12 114.38 117.66 2qs2 h ARG 227 Ca -0.01 0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.81 2qs2 h ARG 227 Cb 1.04 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.14 2qs2 h ARG 227 CO 0.00 -0.43 -0.23 -0.44 -3.11 0.00 0.00 179.97 175.77 2qs2 h ASP 228 N -0.67 0.49 -0.89 -3.80 3.32 -1.81 -1.22 116.42 111.84 2qs2 h ASP 228 Ca -0.04 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 2qs2 h ASP 228 Cb 0.56 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 2qs2 h ASP 228 CO 0.04 0.72 0.48 0.11 -1.72 0.00 0.00 179.24 178.87 2qs2 h LYS 229 N 0.44 1.25 -0.38 3.56 1.57 -1.71 -1.71 116.57 119.59 2qs2 h LYS 229 Ca 0.07 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 2qs2 h LYS 229 Cb 0.64 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2qs2 h LYS 229 CO 0.05 0.92 -0.35 0.82 -0.57 0.00 0.00 179.45 180.32 2qs2 h ILE 230 N 1.25 1.28 -0.40 1.86 2.04 -0.55 -1.38 117.51 121.61 2qs2 h ILE 230 Ca 0.31 -1.51 0.07 0.00 1.00 0.00 0.00 64.86 64.73 2qs2 h ILE 230 Cb 0.04 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2qs2 h ILE 230 CO -0.05 0.50 0.02 0.74 0.00 0.00 0.00 178.15 179.36 2qs2 h THR 231 N 0.72 0.72 -0.59 -0.27 2.02 -0.92 0.82 112.91 115.41 2qs2 h THR 231 Ca 0.07 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 2qs2 h THR 231 Cb 0.91 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2qs2 h THR 231 CO 0.08 0.02 0.04 0.40 0.37 0.00 0.00 175.52 176.44 2qs2 h ILE 232 N 0.13 1.26 -0.50 3.11 2.04 -0.98 -0.07 117.51 122.49 2qs2 h ILE 232 Ca 0.20 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 2qs2 h ILE 232 Cb 0.27 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2qs2 h ILE 232 CO -0.31 0.39 0.19 0.00 0.00 0.00 0.00 178.15 178.41 2qs2 h ALA 233 N 1.11 0.66 -0.52 1.87 0.00 -0.93 -1.23 119.26 120.21 2qs2 h ALA 233 Ca 0.17 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qs2 h ALA 233 Cb 0.48 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2qs2 h ALA 233 CO 0.02 0.28 0.32 0.82 0.00 0.00 0.00 179.25 180.69 2qs2 h ILE 234 N 0.67 1.08 -0.72 0.00 2.04 -0.38 -0.75 117.51 119.45 2qs2 h ILE 234 Ca 0.17 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2qs2 h ILE 234 Cb 0.22 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2qs2 h ILE 234 CO -0.01 0.12 0.40 -0.07 0.00 0.00 0.00 178.15 178.59 2qs2 h LEU 235 N 0.65 0.89 0.08 1.44 3.38 -0.77 0.66 115.31 121.63 2qs2 h LEU 235 Ca 0.20 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2qs2 h LEU 235 Cb -0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 2qs2 h LEU 235 CO -0.07 0.72 -0.41 1.56 0.09 0.00 0.00 178.44 180.32 2qs2 h GLN 236 N 0.99 -0.60 -1.01 1.13 4.20 -0.89 -0.08 115.11 118.85 2qs2 h GLN 236 Ca 0.25 0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.04 2qs2 h GLN 236 Cb 0.02 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 2qs2 h GLN 236 CO -0.04 -0.40 0.66 -0.07 -0.67 0.00 0.00 178.83 178.31 2qs2 h LEU 237 N -0.62 1.12 0.46 1.46 3.38 -0.82 0.63 115.31 120.92 2qs2 h LEU 237 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2qs2 h LEU 237 Cb 0.67 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2qs2 h LEU 237 CO -0.27 0.77 -0.24 -0.61 0.09 0.00 0.00 178.44 178.18 2qs2 h GLN 238 N 1.30 -0.63 -0.09 1.13 4.15 -0.67 0.11 115.11 120.41 2qs2 h GLN 238 Ca 0.40 0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.75 2qs2 h GLN 238 Cb -0.03 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2qs2 h GLN 238 CO -0.12 -0.42 -0.44 0.93 -1.93 0.00 0.00 178.83 176.85 2qs2 h GLU 239 N -0.65 0.20 0.00 1.69 5.08 -0.46 -2.57 114.58 117.87 2qs2 h GLU 239 Ca -0.06 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2qs2 h GLU 239 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2qs2 h GLU 239 CO 0.09 0.61 0.00 0.39 -1.00 0.00 0.00 179.01 179.10 2qs2 n GLU 240 N -4.00 0.09 -0.62 2.33 1.02 0.16 -4.91 120.64 114.72 2qs2 n GLU 240 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2qs2 n GLU 240 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 2qs2 n GLU 240 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qs2 n GLY 241 N 1.28 0.69 0.12 0.62 0.00 -0.97 -4.97 105.19 101.97 2qs2 n GLY 241 Ca 0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2qs2 n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qs2 h LYS 242 N 2.10 0.29 -0.53 1.61 1.57 -1.00 -2.01 116.57 118.60 2qs2 h LYS 242 Ca 0.00 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.33 2qs2 h LYS 242 Cb 0.00 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2qs2 h LYS 242 CO 0.00 1.11 0.05 -0.07 -0.57 0.00 0.00 179.45 179.97 2qs2 h LEU 243 N 0.13 0.83 -0.23 2.94 3.38 -1.75 0.05 115.31 120.66 2qs2 h LEU 243 Ca -0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2qs2 h LEU 243 Cb 1.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2qs2 h LEU 243 CO 0.17 0.87 0.14 -0.74 0.09 0.00 0.00 178.44 178.97 2qs2 h HIS 244 N 0.82 0.30 -0.65 1.13 2.76 -1.83 -0.77 115.15 116.91 2qs2 h HIS 244 Ca 0.16 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2qs2 h HIS 244 Cb 0.42 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 2qs2 h HIS 244 CO 0.02 0.23 0.40 0.52 -1.30 0.00 0.00 177.93 177.81 2qs2 h MET 245 N 0.28 0.87 -0.49 5.26 2.86 -0.93 0.24 114.93 123.02 2qs2 h MET 245 Ca 0.08 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 2qs2 h MET 245 Cb 0.02 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2qs2 h MET 245 CO -0.02 0.61 -0.11 0.52 1.06 0.00 0.00 176.91 178.98 2qs2 h MET 246 N 0.88 0.91 -0.21 1.72 2.07 -0.87 -0.65 114.93 118.78 2qs2 h MET 246 Ca 0.23 -0.32 -0.03 0.00 -2.07 0.00 0.00 59.70 57.51 2qs2 h MET 246 Cb -0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.61 2qs2 h MET 246 CO -0.05 0.97 0.02 -0.22 1.07 0.00 0.00 176.91 178.71 2qs2 h LYS 247 N 0.82 0.36 -0.48 1.72 3.64 -0.80 -3.06 116.57 118.77 2qs2 h LYS 247 Ca 0.13 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2qs2 h LYS 247 Cb 0.64 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 2qs2 h LYS 247 CO 0.04 0.53 0.22 1.49 -2.27 0.00 0.00 179.45 179.46 2qs2 h GLU 248 N 0.15 0.41 -0.69 1.90 4.81 -0.80 0.11 114.58 120.46 2qs2 h GLU 248 Ca 0.06 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.41 2qs2 h GLU 248 Cb 0.35 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.54 2qs2 h GLU 248 CO 0.01 0.27 0.16 -0.22 -0.73 0.00 0.00 179.01 178.50 2qs2 h LYS 249 N 0.43 0.26 0.00 1.92 3.64 -1.06 -2.05 116.57 119.70 2qs2 h LYS 249 Ca 0.22 -0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 59.30 2qs2 h LYS 249 Cb 0.17 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 2qs2 h LYS 249 CO -0.18 0.17 -1.83 0.91 -2.27 0.00 0.00 179.45 176.24 2qs2 n TRP 250 N -5.15 0.74 0.04 1.91 7.02 -1.00 -4.48 117.44 116.51 2qs2 n TRP 250 Ca 0.12 0.26 -0.20 0.00 -1.02 0.00 0.00 57.50 56.66 2qs2 n TRP 250 Cb 0.41 -1.11 -0.14 0.00 -2.42 0.00 0.00 31.31 28.05 2qs2 n TRP 250 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 2qs2 h TRP 251 N 0.00 0.53 -3.09 -5.99 6.55 -0.71 -3.48 115.95 109.76 2qs2 h TRP 251 Ca -0.32 -0.39 -0.53 0.00 0.95 0.00 0.00 58.89 58.60 2qs2 h TRP 251 Cb 1.98 -0.02 0.07 0.00 -0.86 0.00 0.00 29.16 30.33 2qs2 h TRP 251 CO 0.00 1.61 0.91 -0.98 -1.05 0.00 0.00 178.44 178.93 2qs2 s ARG 252 N -2.58 4.14 0.07 0.49 1.04 -0.78 -4.80 118.95 116.53 2qs2 s ARG 252 Ca -0.16 2.54 -0.00 0.00 -1.04 0.00 0.00 55.73 57.07 2qs2 s ARG 252 Cb 0.06 -3.06 0.01 0.00 -2.04 0.00 0.00 34.95 29.93 2qs2 s ARG 252 CO 0.82 -0.65 0.10 0.41 -0.04 0.00 0.00 175.30 175.95 2qs2 n GLY 253 N 2.86 0.73 0.00 3.88 0.00 -1.26 -5.03 105.19 106.38 2qs2 n GLY 253 Ca 0.11 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2qs2 n GLY 253 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02