#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qr2 n GLY 2 N 0.00 2.48 3.22 0.00 0.00 -1.26 -5.14 105.19 104.48 1qr2 n GLY 2 Ca 0.00 -2.12 -0.23 0.00 0.00 0.00 0.00 46.02 43.66 1qr2 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qr2 s LYS 3 N -1.09 1.20 -0.10 1.61 -0.14 -1.26 -5.03 119.74 114.93 1qr2 s LYS 3 Ca 0.00 -0.90 -0.01 0.00 -1.36 0.00 0.00 55.97 53.70 1qr2 s LYS 3 Cb 0.00 -1.29 -0.03 0.00 -1.68 0.00 0.00 37.83 34.83 1qr2 s LYS 3 CO 0.00 0.32 -0.04 0.15 -0.76 0.00 0.00 175.35 175.02 1qr2 s LYS 4 N -1.24 3.09 -0.03 1.68 1.02 -1.26 -0.08 119.74 122.92 1qr2 s LYS 4 Ca 0.05 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.56 1qr2 s LYS 4 Cb -0.09 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1qr2 s LYS 4 CO 0.02 0.54 -0.09 0.08 -0.92 0.00 0.00 175.35 174.98 1qr2 s VAL 5 N -0.46 0.81 -0.17 3.17 1.01 0.12 -0.12 120.40 124.76 1qr2 s VAL 5 Ca 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1qr2 s VAL 5 Cb -0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1qr2 s VAL 5 CO 0.02 0.25 -0.10 -0.22 0.00 0.00 0.00 175.10 175.05 1qr2 s LEU 6 N 0.15 2.76 -0.34 3.92 2.96 -0.41 -0.85 118.68 126.88 1qr2 s LEU 6 Ca -0.03 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1qr2 s LEU 6 Cb -0.08 -1.65 0.05 0.00 0.50 0.00 0.00 46.19 45.00 1qr2 s LEU 6 CO 0.00 0.09 0.09 -0.63 -1.32 0.00 0.00 176.35 174.59 1qr2 s ILE 7 N 0.83 3.61 -0.45 6.68 1.01 0.16 -0.32 121.20 132.72 1qr2 s ILE 7 Ca -0.03 -1.24 -0.22 0.00 0.00 0.00 0.00 60.65 59.15 1qr2 s ILE 7 Cb -0.15 -3.08 0.03 0.00 0.01 0.00 0.00 42.46 39.27 1qr2 s ILE 7 CO 0.01 -0.20 0.74 -0.69 0.00 0.00 0.00 174.94 174.80 1qr2 s VAL 8 N 1.36 4.70 -0.18 2.92 1.01 0.83 -0.80 120.40 130.24 1qr2 s VAL 8 Ca -0.02 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1qr2 s VAL 8 Cb -0.20 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1qr2 s VAL 8 CO 0.02 -0.69 0.02 -0.47 0.00 0.00 0.00 175.10 173.98 1qr2 s TYR 9 N 3.16 3.13 -0.57 5.22 5.04 -0.04 -1.15 117.35 132.14 1qr2 s TYR 9 Ca 0.28 -0.18 0.04 0.00 -2.44 0.00 0.00 57.07 54.77 1qr2 s TYR 9 Cb -0.13 -2.06 0.15 0.00 0.35 0.00 0.00 41.96 40.28 1qr2 s TYR 9 CO 0.22 -0.03 0.36 0.00 -1.34 0.00 0.00 175.55 174.76 1qr2 s ALA 10 N 0.61 3.07 -0.16 3.97 0.00 -0.20 -1.79 121.76 127.27 1qr2 s ALA 10 Ca 0.01 -3.28 -0.28 0.00 0.00 0.00 0.00 51.96 48.41 1qr2 s ALA 10 Cb -0.14 -2.04 0.07 0.00 0.00 0.00 0.00 23.12 21.01 1qr2 s ALA 10 CO 0.02 -2.06 0.69 -1.58 0.00 0.00 0.00 175.76 172.83 1qr2 s HIS 11 N -0.62 -0.71 -0.09 0.00 5.04 -1.26 -4.26 115.29 113.39 1qr2 s HIS 11 Ca 0.22 1.51 0.14 0.00 -1.54 0.00 0.00 55.06 55.39 1qr2 s HIS 11 Cb -0.13 0.33 -0.10 0.00 0.04 0.00 0.00 32.58 32.72 1qr2 s HIS 11 CO -0.09 -0.49 1.06 1.96 -2.34 0.00 0.00 174.74 174.83 1qr2 h GLN 12 N 4.02 0.00 -4.78 2.88 7.50 -1.98 -3.43 115.11 119.32 1qr2 h GLN 12 Ca -0.28 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 58.19 1qr2 h GLN 12 Cb 1.15 0.00 -0.25 0.00 0.05 0.00 0.00 27.48 28.43 1qr2 h GLN 12 CO 0.22 0.48 -0.60 -2.00 -1.50 0.00 0.00 178.83 175.43 1qr2 s GLU 13 N -2.87 3.15 0.45 1.46 2.56 -1.26 -4.98 118.70 117.22 1qr2 s GLU 13 Ca -0.00 -0.83 0.11 0.00 0.00 0.00 0.00 54.97 54.25 1qr2 s GLU 13 Cb 0.08 -3.45 1.02 0.00 2.00 0.00 0.00 34.13 33.78 1qr2 s GLU 13 CO 0.79 -0.45 2.08 -1.35 -0.56 0.00 0.00 175.26 175.78 1qr2 h PRO 14 N 8.28 0.29 0.00 4.30 0.11 -1.98 -1.36 132.00 141.64 1qr2 h PRO 14 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1qr2 h PRO 14 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1qr2 h PRO 14 CO 0.61 0.22 0.00 1.63 -0.21 0.00 0.00 178.00 180.25 1qr2 n LYS 15 N -4.48 0.89 -1.60 1.05 5.02 -1.26 -4.32 118.16 113.46 1qr2 n LYS 15 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1qr2 n LYS 15 Cb 0.09 -1.45 0.14 0.00 -0.02 0.00 0.00 35.03 33.79 1qr2 n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qr2 s SER 16 N -1.91 3.50 0.30 4.39 1.04 -0.51 -4.85 113.70 115.66 1qr2 s SER 16 Ca 0.39 0.86 -0.01 0.00 0.48 0.00 0.00 55.95 57.67 1qr2 s SER 16 Cb 0.18 -1.35 0.48 0.00 0.10 0.00 0.00 66.02 65.42 1qr2 s SER 16 CO 0.30 -2.55 1.92 0.15 0.98 0.00 0.00 173.24 174.04 1qr2 h PHE 17 N -1.50 0.89 -0.31 5.02 3.57 -1.90 -0.49 116.94 122.23 1qr2 h PHE 17 Ca -0.49 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 60.86 1qr2 h PHE 17 Cb 1.32 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1qr2 h PHE 17 CO 0.04 0.64 -0.31 -0.91 -2.23 0.00 0.00 178.31 175.53 1qr2 h ASN 18 N 0.91 0.70 -0.46 0.41 2.35 -1.92 -0.80 115.58 116.76 1qr2 h ASN 18 Ca 0.23 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1qr2 h ASN 18 Cb 0.06 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1qr2 h ASN 18 CO -0.03 0.96 0.24 1.23 -1.65 0.00 0.00 177.43 178.19 1qr2 h GLY 19 N 0.99 0.70 0.96 2.83 0.00 -1.42 -0.85 103.07 106.28 1qr2 h GLY 19 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1qr2 h GLY 19 CO 0.07 0.31 0.18 1.76 0.00 0.00 0.00 176.54 178.86 1qr2 h SER 20 N 0.61 0.43 0.31 0.19 0.02 -0.83 0.92 113.55 115.21 1qr2 h SER 20 Ca 0.16 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1qr2 h SER 20 Cb 0.07 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1qr2 h SER 20 CO -0.02 0.41 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.78 1qr2 h LEU 21 N 0.42 0.00 0.13 5.07 3.38 -0.99 0.21 115.31 123.54 1qr2 h LEU 21 Ca 0.12 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 1qr2 h LEU 21 Cb 0.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1qr2 h LEU 21 CO -0.02 0.22 -0.82 0.50 0.09 0.00 0.00 178.44 178.41 1qr2 h LYS 22 N 0.00 0.33 -0.63 1.13 3.11 -0.66 -2.87 116.57 116.97 1qr2 h LYS 22 Ca -0.00 -0.53 -0.04 0.00 -2.81 0.00 0.00 60.65 57.27 1qr2 h LYS 22 Cb 0.44 0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.83 1qr2 h LYS 22 CO 0.03 1.24 0.23 -0.91 -2.81 0.00 0.00 179.45 177.22 1qr2 h ASN 23 N -0.31 0.90 -0.39 4.20 2.35 -0.59 -1.43 115.58 120.31 1qr2 h ASN 23 Ca -0.14 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.38 1qr2 h ASN 23 Cb 1.63 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.74 1qr2 h ASN 23 CO 0.16 0.85 0.11 1.62 -1.65 0.00 0.00 177.43 178.51 1qr2 h VAL 24 N 0.90 1.20 -0.35 2.81 3.04 -0.69 0.11 116.25 123.27 1qr2 h VAL 24 Ca 0.21 -0.72 -0.14 0.00 -1.01 0.00 0.00 66.70 65.03 1qr2 h VAL 24 Cb 0.25 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 1qr2 h VAL 24 CO -0.01 0.27 -0.33 0.00 -1.01 0.00 0.00 177.57 176.48 1qr2 h ALA 25 N 1.45 0.52 0.12 3.17 0.00 -1.23 -1.54 119.26 121.74 1qr2 h ALA 25 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1qr2 h ALA 25 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1qr2 h ALA 25 CO -0.00 0.58 -0.06 0.28 0.00 0.00 0.00 179.25 180.05 1qr2 h VAL 26 N 0.64 0.93 0.22 0.00 2.07 -0.63 -0.78 116.25 118.71 1qr2 h VAL 26 Ca 0.06 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1qr2 h VAL 26 Cb 0.92 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1qr2 h VAL 26 CO 0.08 0.05 -0.38 0.44 0.02 0.00 0.00 177.57 177.78 1qr2 h ASP 27 N -0.25 -1.09 -0.26 0.57 3.32 -0.75 0.14 116.42 118.10 1qr2 h ASP 27 Ca -0.02 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.19 1qr2 h ASP 27 Cb 0.20 0.38 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 1qr2 h ASP 27 CO 0.03 -0.45 -0.04 -0.08 -1.72 0.00 0.00 179.24 176.98 1qr2 h GLU 28 N -0.64 0.03 -0.07 3.56 4.57 -1.30 0.27 114.58 121.00 1qr2 h GLU 28 Ca -0.03 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1qr2 h GLU 28 Cb 0.59 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1qr2 h GLU 28 CO -0.13 0.02 -0.40 -0.07 -1.18 0.00 0.00 179.01 177.25 1qr2 h LEU 29 N 0.03 0.16 -0.15 1.64 3.38 -1.11 -1.13 115.31 118.13 1qr2 h LEU 29 Ca 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1qr2 h LEU 29 Cb 0.18 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1qr2 h LEU 29 CO -0.25 0.55 -0.04 -1.28 0.09 0.00 0.00 178.44 177.52 1qr2 h SER 30 N 0.13 0.30 -0.86 -0.43 0.87 -0.12 -0.28 113.55 113.16 1qr2 h SER 30 Ca 0.01 -0.37 0.11 0.00 -1.23 0.00 0.00 61.79 60.31 1qr2 h SER 30 Cb 0.77 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 1qr2 h SER 30 CO 0.06 0.60 0.56 -0.09 -0.53 0.00 0.00 176.83 177.42 1qr2 h ARG 31 N -0.01 0.75 0.00 2.24 2.43 -0.18 0.30 114.38 119.92 1qr2 h ARG 31 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1qr2 h ARG 31 Cb 0.47 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1qr2 h ARG 31 CO 0.02 0.50 0.00 1.04 -1.51 0.00 0.00 179.97 180.01 1qr2 n GLN 32 N -4.53 0.19 -0.72 0.20 6.02 -0.45 -4.84 117.38 113.25 1qr2 n GLN 32 Ca 0.15 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 1qr2 n GLN 32 Cb 0.36 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1qr2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qr2 n GLY 33 N 0.23 0.61 3.81 1.08 0.00 0.11 -5.04 105.19 105.98 1qr2 n GLY 33 Ca 0.07 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1qr2 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qr2 s THR 35 N -2.03 4.66 -0.06 0.00 2.01 0.89 -4.46 115.64 116.65 1qr2 s THR 35 Ca 0.61 1.43 0.04 0.00 0.31 0.00 0.00 61.69 64.08 1qr2 s THR 35 Cb -0.12 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 1qr2 s THR 35 CO 0.17 -0.36 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.86 1qr2 s VAL 36 N 3.28 2.72 -0.01 3.82 1.01 -1.26 0.11 120.40 130.07 1qr2 s VAL 36 Ca 0.38 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1qr2 s VAL 36 Cb -0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1qr2 s VAL 36 CO 0.14 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 174.82 1qr2 s THR 37 N -0.47 0.83 -0.09 3.92 2.01 -0.03 -4.97 115.64 116.85 1qr2 s THR 37 Ca 0.06 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1qr2 s THR 37 Cb -0.12 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.70 1qr2 s THR 37 CO 0.01 0.24 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.34 1qr2 s VAL 38 N -0.15 1.45 -0.64 3.82 1.01 -1.26 -0.67 120.40 123.96 1qr2 s VAL 38 Ca 0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1qr2 s VAL 38 Cb -0.05 -1.31 0.17 0.00 0.00 0.00 0.00 36.38 35.19 1qr2 s VAL 38 CO -0.00 0.43 0.52 -0.44 0.00 0.00 0.00 175.10 175.61 1qr2 s SER 39 N 0.73 5.96 -1.29 3.32 0.01 0.02 -4.97 113.70 117.48 1qr2 s SER 39 Ca -0.12 -2.44 -0.16 0.00 1.31 0.00 0.00 55.95 54.53 1qr2 s SER 39 Cb -0.16 -2.05 0.10 0.00 0.21 0.00 0.00 66.02 64.12 1qr2 s SER 39 CO 0.03 -0.57 1.71 -0.67 0.41 0.00 0.00 173.24 174.15 1qr2 n ASP 40 N 4.21 4.93 -0.34 2.44 -0.08 -1.26 -0.86 116.55 125.58 1qr2 n ASP 40 Ca 0.03 -2.93 0.02 0.00 -1.51 0.00 0.00 54.79 50.40 1qr2 n ASP 40 Cb 0.42 -1.69 0.08 0.00 2.34 0.00 0.00 41.12 42.26 1qr2 n ASP 40 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1qr2 n LEU 41 N 7.40 -0.48 -0.22 -2.67 4.77 -0.74 -0.67 117.00 124.38 1qr2 n LEU 41 Ca 0.46 1.59 -0.04 0.00 -0.03 0.00 0.00 56.01 57.99 1qr2 n LEU 41 Cb 0.44 -0.41 0.14 0.00 -2.33 0.00 0.00 43.42 41.26 1qr2 n LEU 41 CO 0.75 -1.47 1.06 1.88 -1.33 0.00 0.00 177.39 178.28 1qr2 h TYR 42 N 0.00 1.04 -0.10 -1.77 0.05 -1.83 0.23 116.97 114.59 1qr2 h TYR 42 Ca 0.37 -0.07 -0.13 0.00 0.05 0.00 0.00 58.73 58.96 1qr2 h TYR 42 Cb 0.60 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1qr2 h TYR 42 CO -0.76 0.79 -0.50 0.00 -1.05 0.00 0.00 178.16 176.64 1qr2 h ALA 43 N 1.30 0.97 0.00 3.88 0.00 -1.21 -2.24 119.26 121.96 1qr2 h ALA 43 Ca 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1qr2 h ALA 43 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1qr2 h ALA 43 CO -0.02 0.66 0.00 -1.33 0.00 0.00 0.00 179.25 178.55 1qr2 n MET 44 N -3.96 0.17 -3.72 0.00 2.81 -0.15 -4.91 117.12 107.37 1qr2 n MET 44 Ca -0.02 0.18 -0.23 0.00 -1.81 0.00 0.00 57.70 55.82 1qr2 n MET 44 Cb 0.54 -1.71 0.04 0.00 -0.71 0.00 0.00 33.22 31.38 1qr2 n MET 44 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1qr2 n ASN 45 N -2.01 -2.59 -4.70 7.83 3.02 0.00 -4.86 115.26 111.95 1qr2 n ASN 45 Ca 0.05 -0.77 -0.44 0.00 -0.03 0.00 0.00 54.58 53.40 1qr2 n ASN 45 Cb 0.37 -4.20 -0.02 0.00 -0.61 0.00 0.00 39.78 35.31 1qr2 n ASN 45 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1qr2 n PHE 46 N -4.42 2.46 -2.36 3.10 7.35 -0.81 -4.92 117.46 117.86 1qr2 n PHE 46 Ca -0.19 0.32 -0.43 0.00 -0.76 0.00 0.00 57.45 56.39 1qr2 n PHE 46 Cb 0.63 -2.53 -0.02 0.00 0.35 0.00 0.00 39.48 37.90 1qr2 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1qr2 s GLU 47 N -0.17 3.64 0.18 -4.13 2.56 -1.26 -4.89 118.70 114.62 1qr2 s GLU 47 Ca 0.68 1.00 0.10 0.00 0.00 0.00 0.00 54.97 56.76 1qr2 s GLU 47 Cb -0.59 -4.00 -0.11 0.00 2.00 0.00 0.00 34.13 31.43 1qr2 s GLU 47 CO 0.47 -1.49 1.34 -1.35 -0.56 0.00 0.00 175.26 173.67 1qr2 h PRO 48 N 10.47 0.00 -6.49 4.30 0.11 -1.89 -3.44 132.00 135.06 1qr2 h PRO 48 Ca -0.27 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.30 1qr2 h PRO 48 Cb 1.10 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.23 1qr2 h PRO 48 CO 1.08 0.81 0.83 1.03 -0.21 0.00 0.00 178.00 181.54 1qr2 s ARG 49 N -2.80 4.27 -0.65 1.05 0.52 -1.26 -4.33 118.95 115.75 1qr2 s ARG 49 Ca 0.02 2.15 -0.23 0.00 -0.52 0.00 0.00 55.73 57.15 1qr2 s ARG 49 Cb 0.09 -3.39 0.07 0.00 0.52 0.00 0.00 34.95 32.24 1qr2 s ARG 49 CO 0.79 -0.56 0.96 0.00 0.02 0.00 0.00 175.30 176.51 1qr2 s ALA 50 N 1.76 3.12 0.34 2.13 0.00 -1.26 -4.96 121.76 122.89 1qr2 s ALA 50 Ca 0.67 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1qr2 s ALA 50 Cb -0.37 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 1qr2 s ALA 50 CO 0.30 -2.74 0.11 0.95 0.00 0.00 0.00 175.76 174.38 1qr2 s THR 51 N 4.03 0.71 -1.29 0.00 -4.23 -1.26 -5.01 115.64 108.59 1qr2 s THR 51 Ca 0.22 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1qr2 s THR 51 Cb -0.17 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.27 1qr2 s THR 51 CO 0.11 0.00 1.27 -0.90 -0.54 0.00 0.00 174.62 174.56 1qr2 n ASP 52 N -0.92 0.00 0.00 3.99 5.68 -1.26 -1.35 116.55 122.68 1qr2 n ASP 52 Ca -0.03 0.25 0.12 0.00 -0.50 0.00 0.00 54.79 54.63 1qr2 n ASP 52 Cb 0.66 -0.35 0.54 0.00 -1.14 0.00 0.00 41.12 40.82 1qr2 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1qr2 n LYS 53 N -1.35 0.07 0.05 0.11 5.02 -1.26 -2.68 118.16 118.12 1qr2 n LYS 53 Ca 0.04 0.08 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1qr2 n LYS 53 Cb 0.10 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.07 1qr2 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1qr2 n ASP 54 N -1.46 0.44 -4.64 4.39 8.00 -0.46 -4.70 116.55 118.12 1qr2 n ASP 54 Ca 0.07 0.45 -0.31 0.00 0.71 0.00 0.00 54.79 55.71 1qr2 n ASP 54 Cb 0.27 -0.52 -0.09 0.00 -0.02 0.00 0.00 41.12 40.75 1qr2 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qr2 s ILE 55 N -3.06 3.86 -0.01 0.53 1.09 -1.09 -0.34 121.20 122.18 1qr2 s ILE 55 Ca 0.12 -0.86 0.03 0.00 -1.10 0.00 0.00 60.65 58.83 1qr2 s ILE 55 Cb 0.16 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.76 1qr2 s ILE 55 CO 0.59 0.27 0.06 0.41 -0.10 0.00 0.00 174.94 176.16 1qr2 n THR 56 N 1.09 0.00 -2.46 2.92 -1.04 0.14 -4.85 114.28 110.08 1qr2 n THR 56 Ca -0.13 -0.09 -0.03 0.00 -2.04 0.00 0.00 64.05 61.75 1qr2 n THR 56 Cb 0.52 0.49 0.02 0.00 -1.82 0.00 0.00 70.33 69.54 1qr2 n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qr2 n GLY 57 N 2.24 1.02 3.65 3.41 0.00 -1.25 -5.00 105.19 109.26 1qr2 n GLY 57 Ca -0.00 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1qr2 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qr2 s THR 58 N -0.11 3.51 0.40 2.61 2.01 -1.26 -4.94 115.64 117.87 1qr2 s THR 58 Ca 0.10 0.60 -0.27 0.00 0.31 0.00 0.00 61.69 62.43 1qr2 s THR 58 Cb -0.01 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.96 1qr2 s THR 58 CO 0.07 -0.11 1.47 0.18 -0.69 0.00 0.00 174.62 175.54 1qr2 n LEU 59 N 7.83 4.90 0.05 4.42 4.77 -1.26 -4.88 117.00 132.82 1qr2 n LEU 59 Ca 0.19 1.19 0.02 0.00 -0.03 0.00 0.00 56.01 57.39 1qr2 n LEU 59 Cb 0.43 -1.62 0.39 0.00 -2.33 0.00 0.00 43.42 40.29 1qr2 n LEU 59 CO 0.64 0.06 1.01 -1.28 -1.33 0.00 0.00 177.39 176.49 1qr2 h SER 60 N 2.74 0.38 -2.12 -1.43 0.87 -1.93 -3.36 113.55 108.70 1qr2 h SER 60 Ca -0.51 -0.05 -0.46 0.00 -1.23 0.00 0.00 61.79 59.55 1qr2 h SER 60 Cb 1.25 -0.10 -0.33 0.00 -0.44 0.00 0.00 62.40 62.78 1qr2 h SER 60 CO 0.63 0.40 -0.78 0.21 -0.53 0.00 0.00 176.83 176.76 1qr2 s ASN 61 N -6.78 1.44 0.00 6.23 3.84 -1.26 -4.99 114.94 113.42 1qr2 s ASN 61 Ca -0.07 -2.11 0.17 0.00 0.21 0.00 0.00 52.86 51.06 1qr2 s ASN 61 Cb 0.16 0.20 0.84 0.00 -0.55 0.00 0.00 41.25 41.90 1qr2 s ASN 61 CO 0.74 -0.23 1.50 -0.81 -2.79 0.00 0.00 177.10 175.50 1qr2 n PRO 62 N 3.74 0.22 0.01 0.43 -0.04 -1.26 -3.03 135.00 135.07 1qr2 n PRO 62 Ca 0.17 0.13 -0.20 0.00 -0.04 0.00 0.00 63.50 63.56 1qr2 n PRO 62 Cb 0.45 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 1qr2 n PRO 62 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1qr2 h GLU 63 N 0.00 0.21 -4.06 0.54 4.81 -1.96 -3.44 114.58 110.69 1qr2 h GLU 63 Ca 0.00 -0.36 -0.59 0.00 -0.13 0.00 0.00 59.36 58.28 1qr2 h GLU 63 Cb 0.17 0.13 -0.39 0.00 0.63 0.00 0.00 28.75 29.29 1qr2 h GLU 63 CO 0.00 1.17 -0.77 0.08 -0.73 0.00 0.00 179.01 178.76 1qr2 s VAL 64 N -2.40 1.26 -0.21 0.32 1.01 -1.17 -5.11 120.40 114.10 1qr2 s VAL 64 Ca -0.18 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.30 1qr2 s VAL 64 Cb 0.02 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 1qr2 s VAL 64 CO 0.77 -0.27 1.17 0.12 0.00 0.00 0.00 175.10 176.89 1qr2 s PHE 65 N 1.49 3.04 -0.29 5.22 5.36 -1.25 -4.74 117.98 126.81 1qr2 s PHE 65 Ca -0.01 1.19 0.02 0.00 -0.96 0.00 0.00 56.93 57.18 1qr2 s PHE 65 Cb -0.18 -3.45 0.08 0.00 -0.34 0.00 0.00 43.02 39.13 1qr2 s PHE 65 CO -0.10 -1.19 -0.02 1.21 -1.46 0.00 0.00 175.22 173.67 1qr2 s ASN 66 N 1.71 4.39 0.16 6.13 3.84 -1.26 -5.03 114.94 124.88 1qr2 s ASN 66 Ca 0.50 -1.66 -0.19 0.00 0.21 0.00 0.00 52.86 51.72 1qr2 s ASN 66 Cb -0.18 -1.43 0.08 0.00 -0.55 0.00 0.00 41.25 39.17 1qr2 s ASN 66 CO 0.12 -0.30 1.65 0.22 -2.79 0.00 0.00 177.10 176.00 1qr2 h TYR 67 N 7.78 -0.41 -0.36 0.43 3.20 -1.96 0.14 116.97 125.79 1qr2 h TYR 67 Ca -0.12 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.82 1qr2 h TYR 67 Cb 1.04 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 1qr2 h TYR 67 CO 0.51 -0.24 0.15 0.78 -1.64 0.00 0.00 178.16 177.72 1qr2 h GLY 68 N -0.10 0.47 0.89 1.82 0.00 -1.99 0.84 103.07 105.00 1qr2 h GLY 68 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1qr2 h GLY 68 CO -0.43 0.06 0.08 -2.08 0.00 0.00 0.00 176.54 174.18 1qr2 h VAL 69 N 0.32 1.18 -0.46 4.60 2.07 -1.89 -2.18 116.25 119.89 1qr2 h VAL 69 Ca 0.16 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1qr2 h VAL 69 Cb 0.11 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1qr2 h VAL 69 CO -0.14 0.19 0.21 -0.33 0.02 0.00 0.00 177.57 177.51 1qr2 h GLU 70 N 0.22 0.67 -0.12 1.57 4.39 -0.43 -1.91 114.58 118.98 1qr2 h GLU 70 Ca 0.08 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 1qr2 h GLU 70 Cb 0.21 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1qr2 h GLU 70 CO -0.00 0.58 -0.46 1.79 -1.16 0.00 0.00 179.01 179.76 1qr2 h THR 71 N 0.60 1.33 -0.31 1.13 1.35 -0.83 0.45 112.91 116.62 1qr2 h THR 71 Ca 0.16 -1.65 -0.13 0.00 -0.55 0.00 0.00 66.41 64.23 1qr2 h THR 71 Cb 0.14 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1qr2 h THR 71 CO -0.02 0.50 -0.33 -0.74 -0.25 0.00 0.00 175.52 174.68 1qr2 h HIS 72 N 0.24 0.79 -0.15 4.73 -0.00 -1.26 0.41 115.15 119.92 1qr2 h HIS 72 Ca 0.02 -0.21 -0.22 0.00 -0.00 0.00 0.00 60.37 59.96 1qr2 h HIS 72 Cb 0.91 -0.18 0.01 0.00 -0.00 0.00 0.00 27.41 28.15 1qr2 h HIS 72 CO 0.02 0.92 -0.75 1.49 -0.00 0.00 0.00 177.93 179.61 1qr2 h GLU 73 N 0.57 0.78 -0.74 5.26 4.57 -1.08 -2.77 114.58 121.17 1qr2 h GLU 73 Ca 0.06 -0.63 -0.05 0.00 -1.18 0.00 0.00 59.36 57.56 1qr2 h GLU 73 Cb 0.84 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 1qr2 h GLU 73 CO 0.07 1.24 0.28 0.00 -1.18 0.00 0.00 179.01 179.42 1qr2 h ALA 74 N 0.54 0.97 -0.33 2.92 0.00 -0.78 -1.64 119.26 120.94 1qr2 h ALA 74 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1qr2 h ALA 74 Cb 1.39 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1qr2 h ALA 74 CO 0.16 0.61 0.21 -0.92 0.00 0.00 0.00 179.25 179.31 1qr2 h TYR 75 N 1.08 0.43 0.00 0.00 3.20 -0.89 0.26 116.97 121.04 1qr2 h TYR 75 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1qr2 h TYR 75 Cb 0.24 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1qr2 h TYR 75 CO 0.02 0.29 0.00 0.87 -1.64 0.00 0.00 178.16 177.70 1qr2 h LYS 76 N 0.44 0.00 -0.02 1.82 1.57 -1.19 -2.58 116.57 116.62 1qr2 h LYS 76 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1qr2 h LYS 76 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1qr2 h LYS 76 CO -0.02 0.00 -0.13 1.04 -0.57 0.00 0.00 179.45 179.77 1qr2 n GLN 77 N -2.37 1.41 -3.53 3.15 1.13 -0.64 -4.98 117.38 111.55 1qr2 n GLN 77 Ca 0.02 -1.13 -0.21 0.00 -1.94 0.00 0.00 57.00 53.73 1qr2 n GLN 77 Cb 0.24 -1.26 0.08 0.00 0.11 0.00 0.00 30.24 29.41 1qr2 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1qr2 n ARG 78 N 0.42 -7.44 -0.62 -1.09 1.74 0.63 -4.92 116.66 105.38 1qr2 n ARG 78 Ca 0.08 0.83 0.06 0.00 -0.77 0.00 0.00 57.85 58.05 1qr2 n ARG 78 Cb 0.35 -5.86 0.17 0.00 -1.02 0.00 0.00 32.46 26.10 1qr2 n ARG 78 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1qr2 n SER 79 N -3.03 1.67 -4.90 0.55 3.41 0.41 -5.03 113.62 106.70 1qr2 n SER 79 Ca -0.10 -3.45 -0.29 0.00 -0.26 0.00 0.00 58.87 54.77 1qr2 n SER 79 Cb 0.60 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1qr2 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qr2 s LEU 80 N -2.64 3.15 0.46 1.04 1.43 -1.25 0.29 118.68 121.16 1qr2 s LEU 80 Ca 0.35 0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 54.20 1qr2 s LEU 80 Cb 0.34 -3.84 -0.07 0.00 0.03 0.00 0.00 46.19 42.65 1qr2 s LEU 80 CO -0.06 -1.10 1.28 0.00 0.23 0.00 0.00 176.35 176.70 1qr2 s ALA 81 N -3.13 3.04 0.25 4.21 0.00 0.54 -4.74 121.76 121.94 1qr2 s ALA 81 Ca 0.55 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.64 1qr2 s ALA 81 Cb -0.11 -3.48 0.34 0.00 0.00 0.00 0.00 23.12 19.87 1qr2 s ALA 81 CO 0.49 -0.94 1.89 0.66 0.00 0.00 0.00 175.76 177.86 1qr2 h SER 82 N 2.11 1.03 -0.09 0.00 4.64 -1.95 -2.29 113.55 117.01 1qr2 h SER 82 Ca -0.50 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1qr2 h SER 82 Cb 1.26 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1qr2 h SER 82 CO 0.60 0.69 0.10 -2.24 -0.87 0.00 0.00 176.83 175.11 1qr2 h ASP 83 N 1.19 0.00 0.13 4.97 2.03 -2.00 0.13 116.42 122.88 1qr2 h ASP 83 Ca 0.40 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.51 1qr2 h ASP 83 Cb 0.06 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.58 1qr2 h ASP 83 CO -0.14 0.00 -0.85 0.40 -1.03 0.00 0.00 179.24 177.61 1qr2 h ILE 84 N 0.00 1.47 -0.27 4.15 2.04 -1.79 -3.20 117.51 119.91 1qr2 h ILE 84 Ca 0.04 -2.52 -0.09 0.00 1.00 0.00 0.00 64.86 63.30 1qr2 h ILE 84 Cb 0.23 3.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 1qr2 h ILE 84 CO -0.00 0.71 -0.21 0.71 0.00 0.00 0.00 178.15 179.36 1qr2 h THR 85 N -0.39 1.25 0.02 -0.27 1.35 -1.14 -1.57 112.91 112.16 1qr2 h THR 85 Ca -0.16 -1.19 0.02 0.00 -0.55 0.00 0.00 66.41 64.53 1qr2 h THR 85 Cb 1.63 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 1qr2 h THR 85 CO 0.13 0.38 -0.11 0.44 -0.25 0.00 0.00 175.52 176.12 1qr2 h ASP 86 N 0.44 -0.30 -0.76 5.36 3.32 -0.88 -0.44 116.42 123.16 1qr2 h ASP 86 Ca 0.07 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1qr2 h ASP 86 Cb 0.62 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 1qr2 h ASP 86 CO 0.04 -0.15 0.47 -0.33 -1.72 0.00 0.00 179.24 177.55 1qr2 h GLU 87 N -0.19 1.03 0.00 3.56 4.39 -1.50 -1.44 114.58 120.42 1qr2 h GLU 87 Ca 0.03 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1qr2 h GLU 87 Cb 0.23 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1qr2 h GLU 87 CO -0.09 0.72 -0.07 1.96 -1.16 0.00 0.00 179.01 180.37 1qr2 h GLN 88 N 1.04 0.00 0.22 2.33 4.20 -0.68 -0.98 115.11 121.23 1qr2 h GLN 88 Ca 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1qr2 h GLN 88 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1qr2 h GLN 88 CO -0.05 0.07 -0.10 0.87 -0.67 0.00 0.00 178.83 178.94 1qr2 h LYS 89 N 0.00 -0.28 -0.62 1.46 1.57 -0.02 0.38 116.57 119.06 1qr2 h LYS 89 Ca -0.00 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1qr2 h LYS 89 Cb 0.14 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.42 1qr2 h LYS 89 CO 0.01 0.07 0.11 0.87 -0.57 0.00 0.00 179.45 179.94 1qr2 h LYS 90 N -0.68 0.23 -0.35 3.15 1.57 -1.00 -0.99 116.57 118.50 1qr2 h LYS 90 Ca -0.03 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1qr2 h LYS 90 Cb 0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1qr2 h LYS 90 CO 0.05 0.15 -0.24 0.28 -0.57 0.00 0.00 179.45 179.12 1qr2 h VAL 91 N 0.23 1.29 -0.73 0.50 2.07 -1.18 -2.10 116.25 116.33 1qr2 h VAL 91 Ca 0.33 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.55 1qr2 h VAL 91 Cb 0.51 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1qr2 h VAL 91 CO -0.44 0.45 0.48 -0.09 0.02 0.00 0.00 177.57 177.99 1qr2 h ARG 92 N 0.55 0.68 0.00 1.57 2.43 0.36 -2.56 114.38 117.41 1qr2 h ARG 92 Ca 0.07 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 1qr2 h ARG 92 Cb 0.80 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1qr2 h ARG 92 CO 0.06 0.45 -1.22 0.93 -1.51 0.00 0.00 179.97 178.68 1qr2 h GLU 93 N 0.70 0.00 -7.09 0.20 5.08 -1.24 -3.48 114.58 108.74 1qr2 h GLU 93 Ca 0.33 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.15 1qr2 h GLU 93 Cb 0.37 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.73 1qr2 h GLU 93 CO -0.11 0.32 0.48 0.00 -1.00 0.00 0.00 179.01 178.70 1qr2 s ALA 94 N -2.95 2.56 -0.13 3.43 0.00 -0.80 -4.73 121.76 119.14 1qr2 s ALA 94 Ca -0.01 1.05 0.18 0.00 0.00 0.00 0.00 51.96 53.17 1qr2 s ALA 94 Cb 0.09 -3.47 -0.27 0.00 0.00 0.00 0.00 23.12 19.47 1qr2 s ALA 94 CO 0.80 -1.20 0.21 -0.25 0.00 0.00 0.00 175.76 175.32 1qr2 n ASP 95 N -1.54 0.32 -3.82 0.00 8.00 0.83 -4.91 116.55 115.43 1qr2 n ASP 95 Ca 0.13 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.50 1qr2 n ASP 95 Cb 0.49 1.33 -0.14 0.00 -0.02 0.00 0.00 41.12 42.78 1qr2 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1qr2 s LEU 96 N -5.03 1.45 -0.16 0.64 2.96 -1.04 -1.85 118.68 115.64 1qr2 s LEU 96 Ca -0.09 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1qr2 s LEU 96 Cb 0.08 0.16 0.01 0.00 0.50 0.00 0.00 46.19 46.95 1qr2 s LEU 96 CO 0.81 -0.07 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.88 1qr2 s VAL 97 N 0.46 2.15 -0.08 1.68 1.01 -0.27 -1.29 120.40 124.06 1qr2 s VAL 97 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1qr2 s VAL 97 Cb -0.05 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1qr2 s VAL 97 CO -0.02 0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 174.88 1qr2 s ILE 98 N 1.02 3.28 -0.23 2.22 1.01 0.57 -1.28 121.20 127.77 1qr2 s ILE 98 Ca -0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 1qr2 s ILE 98 Cb -0.14 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1qr2 s ILE 98 CO -0.06 0.57 -0.03 -0.36 0.00 0.00 0.00 174.94 175.05 1qr2 s PHE 99 N -0.38 3.00 -0.25 3.97 0.08 -0.35 -0.12 117.98 123.93 1qr2 s PHE 99 Ca 0.04 -1.06 -0.06 0.00 0.12 0.00 0.00 56.93 55.97 1qr2 s PHE 99 Cb -0.12 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1qr2 s PHE 99 CO 0.02 -0.59 0.04 -1.14 -0.10 0.00 0.00 175.22 173.46 1qr2 s GLN 100 N 1.45 3.50 -0.09 0.44 2.00 -0.30 -0.30 119.66 126.37 1qr2 s GLN 100 Ca 0.04 -0.57 -0.30 0.00 -2.00 0.00 0.00 55.36 52.54 1qr2 s GLN 100 Cb -0.15 -3.25 0.11 0.00 0.80 0.00 0.00 33.01 30.52 1qr2 s GLN 100 CO -0.03 -0.23 0.94 -0.59 -0.50 0.00 0.00 175.29 174.88 1qr2 s PHE 101 N 1.56 -0.38 0.32 1.67 -0.71 -0.83 -1.03 117.98 118.59 1qr2 s PHE 101 Ca 0.06 0.49 -0.18 0.00 -1.04 0.00 0.00 56.93 56.26 1qr2 s PHE 101 Cb -0.15 0.48 -0.09 0.00 -1.21 0.00 0.00 43.02 42.05 1qr2 s PHE 101 CO 0.02 -0.44 0.80 -1.25 -1.34 0.00 0.00 175.22 173.01 1qr2 s PRO 102 N -1.92 4.17 -0.11 1.99 0.04 -1.26 -1.98 135.00 135.92 1qr2 s PRO 102 Ca 0.00 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1qr2 s PRO 102 Cb -0.01 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1qr2 s PRO 102 CO -0.02 0.19 1.32 -1.17 0.04 0.00 0.00 177.00 177.35 1qr2 s LEU 103 N -2.69 4.23 -0.31 -3.56 2.96 0.26 -4.35 118.68 115.24 1qr2 s LEU 103 Ca 0.53 1.83 -0.01 0.00 -0.22 0.00 0.00 54.13 56.26 1qr2 s LEU 103 Cb -0.12 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.08 1qr2 s LEU 103 CO 0.18 -0.74 0.02 -0.31 -1.32 0.00 0.00 176.35 174.17 1qr2 s TYR 104 N 3.19 3.32 -1.16 5.38 1.51 0.14 -4.77 117.35 124.96 1qr2 s TYR 104 Ca 0.58 -2.00 -0.13 0.00 -1.01 0.00 0.00 57.07 54.52 1qr2 s TYR 104 Cb -0.25 -2.24 -0.02 0.00 -0.11 0.00 0.00 41.96 39.34 1qr2 s TYR 104 CO 0.19 -0.83 0.79 0.91 -1.11 0.00 0.00 175.55 175.50 1qr2 n TRP 105 N 4.59 -2.02 -1.98 2.71 5.03 -1.26 -1.59 117.44 122.92 1qr2 n TRP 105 Ca -0.11 0.63 -0.17 0.00 3.03 0.00 0.00 57.50 60.87 1qr2 n TRP 105 Cb 0.43 -3.79 -0.04 0.00 -1.03 0.00 0.00 31.31 26.88 1qr2 n TRP 105 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1qr2 n PHE 106 N -3.99 -0.69 -2.48 -5.99 3.01 -1.26 -4.87 117.46 101.18 1qr2 n PHE 106 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1qr2 n PHE 106 Cb 0.62 -3.29 0.00 0.00 -0.01 0.00 0.00 39.48 36.80 1qr2 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1qr2 n SER 107 N -1.48 0.00 -4.89 4.37 2.88 -0.62 -4.84 113.62 109.05 1qr2 n SER 107 Ca -0.19 -0.34 -0.32 0.00 -1.33 0.00 0.00 58.87 56.69 1qr2 n SER 107 Cb 0.62 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.03 1qr2 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1qr2 s VAL 108 N -2.76 5.08 0.74 2.46 -7.23 -1.26 -0.68 120.40 116.75 1qr2 s VAL 108 Ca 0.00 0.21 -0.16 0.00 -1.81 0.00 0.00 61.98 60.22 1qr2 s VAL 108 Cb 0.00 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.32 1qr2 s VAL 108 CO 0.00 0.00 0.86 -2.65 -0.31 0.00 0.00 175.10 173.00 1qr2 n PRO 109 N 0.02 0.40 -0.27 4.82 -0.02 -1.26 -4.59 135.00 134.09 1qr2 n PRO 109 Ca -0.01 0.19 0.07 0.00 -2.02 0.00 0.00 63.50 61.73 1qr2 n PRO 109 Cb 0.52 -2.13 0.22 0.00 -0.02 0.00 0.00 33.50 32.09 1qr2 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qr2 h ALA 110 N -0.39 1.17 -0.72 3.55 0.00 -1.97 -0.32 119.26 120.59 1qr2 h ALA 110 Ca -0.47 0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1qr2 h ALA 110 Cb 1.33 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1qr2 h ALA 110 CO 0.45 -0.22 0.47 0.97 0.00 0.00 0.00 179.25 180.93 1qr2 h ILE 111 N 0.46 1.08 0.02 0.00 2.10 -1.93 0.29 117.51 119.53 1qr2 h ILE 111 Ca 0.45 -0.29 -0.24 0.00 1.08 0.00 0.00 64.86 65.87 1qr2 h ILE 111 Cb 0.72 0.17 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 1qr2 h ILE 111 CO -0.43 0.15 -1.00 0.25 -1.08 0.00 0.00 178.15 176.05 1qr2 h LEU 112 N 0.83 0.55 -0.81 2.19 5.85 -1.44 -2.07 115.31 120.41 1qr2 h LEU 112 Ca 0.29 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 1qr2 h LEU 112 Cb 0.12 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1qr2 h LEU 112 CO -0.09 1.27 0.26 0.50 -0.34 0.00 0.00 178.44 180.04 1qr2 h LYS 113 N 0.22 1.14 -0.83 1.25 1.63 -0.56 -1.61 116.57 117.81 1qr2 h LYS 113 Ca -0.09 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.44 1qr2 h LYS 113 Cb 1.64 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 33.06 1qr2 h LYS 113 CO 0.17 0.95 0.37 0.78 -3.45 0.00 0.00 179.45 178.28 1qr2 h GLY 114 N 1.13 1.29 0.59 5.01 0.00 -0.80 0.80 103.07 111.09 1qr2 h GLY 114 Ca 0.25 -0.67 0.04 0.00 0.00 0.00 0.00 47.33 46.95 1qr2 h GLY 114 CO -0.01 0.63 -0.04 -0.25 0.00 0.00 0.00 176.54 176.87 1qr2 h TRP 115 N 1.19 -0.09 -0.50 5.60 7.01 -0.64 0.95 115.95 129.47 1qr2 h TRP 115 Ca 0.28 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.26 1qr2 h TRP 115 Cb 0.16 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1qr2 h TRP 115 CO 0.02 -0.08 0.14 0.52 -2.79 0.00 0.00 178.44 176.25 1qr2 h MET 116 N 0.02 0.79 -0.23 2.65 2.86 -0.75 0.13 114.93 120.39 1qr2 h MET 116 Ca 0.10 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1qr2 h MET 116 Cb 0.15 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1qr2 h MET 116 CO -0.21 0.74 0.14 -0.44 1.06 0.00 0.00 176.91 178.20 1qr2 h ASP 117 N 0.68 0.28 0.24 1.22 3.32 -0.32 -2.72 116.42 119.13 1qr2 h ASP 117 Ca 0.16 -0.06 -0.34 0.00 0.02 0.00 0.00 57.03 56.81 1qr2 h ASP 117 Cb 0.30 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.79 1qr2 h ASP 117 CO -0.00 0.25 -1.69 0.03 -1.72 0.00 0.00 179.24 176.11 1qr2 h ARG 118 N 0.28 0.39 -0.01 3.56 3.08 -0.78 -3.40 114.38 117.49 1qr2 h ARG 118 Ca 0.08 -0.66 -0.11 0.00 0.07 0.00 0.00 59.98 59.36 1qr2 h ARG 118 Cb 0.03 0.25 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1qr2 h ARG 118 CO -0.01 1.30 -0.42 0.28 -1.07 0.00 0.00 179.97 180.05 1qr2 h VAL 119 N 0.11 1.48 0.00 2.04 2.07 -0.84 -3.36 116.25 117.75 1qr2 h VAL 119 Ca -0.32 -1.98 -0.46 0.00 0.82 0.00 0.00 66.70 64.76 1qr2 h VAL 119 Cb 2.10 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 34.50 1qr2 h VAL 119 CO 0.19 0.56 2.10 0.18 0.02 0.00 0.00 177.57 180.62 1qr2 n LEU 120 N -4.37 7.08 -4.88 2.57 4.77 -1.03 -4.81 117.00 116.34 1qr2 n LEU 120 Ca -0.10 -3.77 -0.30 0.00 -0.03 0.00 0.00 56.01 51.81 1qr2 n LEU 120 Cb 0.58 -1.46 0.05 0.00 -2.33 0.00 0.00 43.42 40.26 1qr2 n LEU 120 CO 0.43 1.82 0.75 0.00 -1.33 0.00 0.00 177.39 179.06 1qr2 s GLN 122 N -5.36 4.33 0.00 0.00 0.74 -1.26 -1.62 119.66 116.49 1qr2 s GLN 122 Ca 0.59 2.24 0.00 0.00 0.05 0.00 0.00 55.36 58.23 1qr2 s GLN 122 Cb -0.11 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 30.92 1qr2 s GLN 122 CO 0.52 -0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 1qr2 n GLY 123 N 1.07 3.06 0.07 2.59 0.00 0.88 -4.39 105.19 108.48 1qr2 n GLY 123 Ca 0.01 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 1qr2 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qr2 n PHE 124 N 0.00 0.53 0.13 1.61 7.35 -1.03 -4.70 117.46 121.34 1qr2 n PHE 124 Ca 0.00 0.23 0.09 0.00 -0.76 0.00 0.00 57.45 57.01 1qr2 n PHE 124 Cb 0.00 -0.62 0.04 0.00 0.35 0.00 0.00 39.48 39.25 1qr2 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qr2 h ALA 125 N -1.09 0.69 -2.23 3.13 0.00 -1.58 -3.42 119.26 114.76 1qr2 h ALA 125 Ca 0.00 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.94 1qr2 h ALA 125 Cb 0.63 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1qr2 h ALA 125 CO 0.00 0.19 0.52 -0.59 0.00 0.00 0.00 179.25 179.37 1qr2 s PHE 126 N -3.22 -0.12 0.13 0.00 -0.71 -1.26 -2.44 117.98 110.36 1qr2 s PHE 126 Ca 0.02 -0.15 -0.02 0.00 -1.04 0.00 0.00 56.93 55.73 1qr2 s PHE 126 Cb 0.08 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.48 1qr2 s PHE 126 CO 0.75 -0.76 0.09 -0.51 -1.34 0.00 0.00 175.22 173.46 1qr2 s ASP 127 N -2.93 0.27 -0.33 1.98 1.01 -0.33 -0.08 116.67 116.26 1qr2 s ASP 127 Ca 0.12 -1.14 0.04 0.00 0.71 0.00 0.00 52.55 52.28 1qr2 s ASP 127 Cb -0.01 0.32 0.09 0.00 1.01 0.00 0.00 42.92 44.33 1qr2 s ASP 127 CO 0.01 -0.75 0.03 -0.63 0.21 0.00 0.00 175.17 174.04 1qr2 s ILE 128 N -4.03 2.29 0.69 0.77 -1.09 -1.26 -1.28 121.20 117.29 1qr2 s ILE 128 Ca 0.22 -2.23 -0.11 0.00 -2.23 0.00 0.00 60.65 56.30 1qr2 s ILE 128 Cb 0.07 -2.64 0.01 0.00 -1.58 0.00 0.00 42.46 38.32 1qr2 s ILE 128 CO 0.01 -0.51 1.07 -2.16 -1.23 0.00 0.00 174.94 172.12 1qr2 s PRO 129 N 0.94 2.97 0.00 2.79 0.04 -1.26 -5.13 135.00 135.34 1qr2 s PRO 129 Ca 0.08 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1qr2 s PRO 129 Cb -0.19 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1qr2 s PRO 129 CO -0.07 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1qr2 n GLY 130 N -2.59 0.12 3.33 0.56 0.00 -0.41 -5.10 105.19 101.11 1qr2 n GLY 130 Ca 0.07 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 1qr2 n GLY 130 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qr2 s PHE 131 N 0.00 1.26 0.00 1.61 -0.71 -1.23 -1.18 117.98 117.73 1qr2 s PHE 131 Ca 0.00 -1.39 0.00 0.00 -1.04 0.00 0.00 56.93 54.50 1qr2 s PHE 131 Cb 0.00 -0.43 0.00 0.00 -1.21 0.00 0.00 43.02 41.38 1qr2 s PHE 131 CO 0.00 -0.86 0.00 0.66 -1.34 0.00 0.00 175.22 173.68 1qr2 n TYR 132 N -0.47 0.00 0.29 3.49 4.01 0.11 -1.03 117.16 123.56 1qr2 n TYR 132 Ca 0.03 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.95 1qr2 n TYR 132 Cb 0.63 0.00 0.82 0.00 -0.31 0.00 0.00 39.34 40.48 1qr2 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1qr2 h ASP 133 N 0.00 0.00 -0.70 7.72 3.32 -1.89 -2.05 116.42 122.83 1qr2 h ASP 133 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qr2 h ASP 133 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qr2 h ASP 133 CO 0.00 0.04 0.00 -1.20 -1.72 0.00 0.00 179.24 176.36 1qr2 n SER 134 N -3.21 4.22 -4.70 6.45 7.64 -0.20 -4.93 113.62 118.90 1qr2 n SER 134 Ca -0.01 -2.16 -0.43 0.00 1.01 0.00 0.00 58.87 57.28 1qr2 n SER 134 Cb 0.24 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.91 1qr2 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qr2 n GLY 135 N 1.47 0.65 0.33 0.23 0.00 -0.78 -3.52 105.19 103.58 1qr2 n GLY 135 Ca 0.25 0.34 0.18 0.00 0.00 0.00 0.00 46.02 46.79 1qr2 n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qr2 h LEU 136 N 2.82 0.00 -2.92 0.99 3.38 -1.33 0.27 115.31 118.51 1qr2 h LEU 136 Ca -0.46 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.35 1qr2 h LEU 136 Cb 1.28 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.94 1qr2 h LEU 136 CO 0.65 0.00 0.20 0.18 0.09 0.00 0.00 178.44 179.56 1qr2 n LEU 137 N -3.61 4.64 -4.77 1.67 4.77 0.29 -4.94 117.00 115.06 1qr2 n LEU 137 Ca 0.00 -2.41 -0.39 0.00 -0.03 0.00 0.00 56.01 53.18 1qr2 n LEU 137 Cb 0.27 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1qr2 n LEU 137 CO 0.25 0.66 0.95 0.00 -1.33 0.00 0.00 177.39 177.92 1qr2 s GLN 138 N -2.09 3.83 0.00 3.23 -2.07 0.08 -2.43 119.66 120.23 1qr2 s GLN 138 Ca 0.35 2.13 0.00 0.00 -1.82 0.00 0.00 55.36 56.02 1qr2 s GLN 138 Cb 0.28 -2.65 0.00 0.00 -1.09 0.00 0.00 33.01 29.55 1qr2 s GLN 138 CO 0.08 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 173.87 1qr2 n GLY 139 N 0.64 3.02 3.93 2.60 0.00 -1.26 -5.00 105.19 109.12 1qr2 n GLY 139 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1qr2 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qr2 s LYS 140 N -0.60 3.52 0.11 1.61 1.02 -1.02 -4.96 119.74 119.43 1qr2 s LYS 140 Ca 0.00 -0.13 0.08 0.00 0.02 0.00 0.00 55.97 55.95 1qr2 s LYS 140 Cb 0.00 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1qr2 s LYS 140 CO 0.00 0.06 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.82 1qr2 s LEU 141 N -4.32 2.80 0.03 3.17 1.43 -0.77 -0.65 118.68 120.37 1qr2 s LEU 141 Ca 0.43 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1qr2 s LEU 141 Cb -0.10 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1qr2 s LEU 141 CO 0.38 0.18 -0.06 0.00 0.23 0.00 0.00 176.35 177.08 1qr2 s ALA 142 N -1.16 0.42 -0.11 4.21 0.00 0.05 -1.11 121.76 124.06 1qr2 s ALA 142 Ca 0.19 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 1qr2 s ALA 142 Cb -0.11 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1qr2 s ALA 142 CO 0.11 -0.04 0.28 -1.17 0.00 0.00 0.00 175.76 174.94 1qr2 s LEU 143 N -1.35 0.66 -0.27 0.00 0.20 -0.41 -1.65 118.68 115.87 1qr2 s LEU 143 Ca -0.10 0.59 -0.10 0.00 0.69 0.00 0.00 54.13 55.20 1qr2 s LEU 143 Cb -0.09 0.93 -0.05 0.00 -0.43 0.00 0.00 46.19 46.56 1qr2 s LEU 143 CO -0.00 -0.13 0.16 -0.76 -0.29 0.00 0.00 176.35 175.33 1qr2 s LEU 144 N 0.63 3.93 -0.41 -0.68 1.43 -1.26 -1.22 118.68 121.10 1qr2 s LEU 144 Ca -0.04 -0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1qr2 s LEU 144 Cb -0.05 -2.08 0.09 0.00 0.03 0.00 0.00 46.19 44.17 1qr2 s LEU 144 CO -0.04 -0.02 0.24 -0.55 0.23 0.00 0.00 176.35 176.21 1qr2 s SER 145 N 1.60 5.51 -0.10 2.29 0.15 0.59 -0.52 113.70 123.23 1qr2 s SER 145 Ca 0.07 -1.64 0.01 0.00 0.70 0.00 0.00 55.95 55.09 1qr2 s SER 145 Cb -0.15 -1.94 -0.02 0.00 -1.71 0.00 0.00 66.02 62.20 1qr2 s SER 145 CO 0.09 -0.54 -0.13 -0.69 1.20 0.00 0.00 173.24 173.17 1qr2 s VAL 146 N 1.35 3.14 0.00 4.45 1.01 0.49 -1.97 120.40 128.88 1qr2 s VAL 146 Ca 0.04 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1qr2 s VAL 146 Cb -0.23 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1qr2 s VAL 146 CO 0.00 0.55 0.04 0.42 0.00 0.00 0.00 175.10 176.11 1qr2 s THR 147 N -0.14 4.40 0.17 3.92 -4.23 -0.84 -0.56 115.64 118.36 1qr2 s THR 147 Ca -0.01 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1qr2 s THR 147 Cb -0.13 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 1qr2 s THR 147 CO 0.03 0.36 -0.12 0.42 -0.54 0.00 0.00 174.62 174.77 1qr2 s THR 148 N -1.14 1.40 -0.06 3.99 -4.23 -1.12 -0.57 115.64 113.90 1qr2 s THR 148 Ca 0.21 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.53 1qr2 s THR 148 Cb -0.12 -1.90 -0.30 0.00 1.34 0.00 0.00 72.50 71.52 1qr2 s THR 148 CO 0.12 -0.67 0.62 1.23 -0.54 0.00 0.00 174.62 175.38 1qr2 h GLY 149 N 2.74 0.41 -1.37 3.99 0.00 -1.92 -0.85 103.07 106.07 1qr2 h GLY 149 Ca -0.37 -1.05 -0.51 0.00 0.00 0.00 0.00 47.33 45.40 1qr2 h GLY 149 CO 0.62 0.92 0.33 -0.32 0.00 0.00 0.00 176.54 178.09 1qr2 s GLY 150 N -5.21 1.73 0.61 4.60 0.00 -1.26 -4.29 107.32 103.51 1qr2 s GLY 150 Ca -0.17 0.26 -0.05 0.00 0.00 0.00 0.00 44.72 44.76 1qr2 s GLY 150 CO 0.84 0.60 0.91 -0.51 0.00 0.00 0.00 173.10 174.94 1qr2 s THR 151 N -2.87 3.22 0.28 0.90 -4.23 -1.26 -2.59 115.64 109.10 1qr2 s THR 151 Ca 0.61 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.95 1qr2 s THR 151 Cb -0.17 -3.30 0.26 0.00 1.34 0.00 0.00 72.50 70.64 1qr2 s THR 151 CO 0.54 -0.30 1.94 0.00 -0.54 0.00 0.00 174.62 176.26 1qr2 h ALA 152 N -0.25 1.39 -0.66 3.99 0.00 -1.96 -1.96 119.26 119.82 1qr2 h ALA 152 Ca -0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1qr2 h ALA 152 Cb 1.28 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1qr2 h ALA 152 CO 0.60 0.55 0.16 0.93 0.00 0.00 0.00 179.25 181.48 1qr2 h GLU 153 N 1.18 1.05 -0.15 0.00 4.39 -1.99 -2.37 114.58 116.69 1qr2 h GLU 153 Ca 0.34 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1qr2 h GLU 153 Cb -0.07 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1qr2 h GLU 153 CO -0.09 0.93 -0.08 0.52 -1.16 0.00 0.00 179.01 179.13 1qr2 h MET 154 N 1.00 0.23 -0.98 2.33 2.86 -1.75 -2.87 114.93 115.75 1qr2 h MET 154 Ca 0.21 -0.04 -0.27 0.00 -2.06 0.00 0.00 59.70 57.53 1qr2 h MET 154 Cb 0.36 -0.04 -0.16 0.00 0.06 0.00 0.00 31.60 31.82 1qr2 h MET 154 CO 0.00 0.32 0.35 0.66 1.06 0.00 0.00 176.91 179.30 1qr2 n TYR 155 N -4.32 1.74 -3.62 -0.22 4.01 -0.89 -1.14 117.16 112.71 1qr2 n TYR 155 Ca -0.01 -1.20 -0.20 0.00 -0.16 0.00 0.00 57.90 56.33 1qr2 n TYR 155 Cb 0.23 -0.63 -0.02 0.00 -0.31 0.00 0.00 39.34 38.61 1qr2 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1qr2 s THR 156 N -1.93 3.93 0.27 -0.72 -4.23 -1.08 0.02 115.64 111.89 1qr2 s THR 156 Ca 0.33 -1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1qr2 s THR 156 Cb 0.28 -3.34 0.26 0.00 1.34 0.00 0.00 72.50 71.03 1qr2 s THR 156 CO 0.07 -0.17 1.71 0.11 -0.54 0.00 0.00 174.62 175.80 1qr2 h LYS 157 N 1.04 0.41 -0.56 3.99 1.57 -1.90 0.30 116.57 121.41 1qr2 h LYS 157 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1qr2 h LYS 157 Cb 1.25 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1qr2 h LYS 157 CO 0.55 0.27 0.00 0.25 -0.57 0.00 0.00 179.45 179.95 1qr2 n THR 158 N -5.03 0.81 -2.09 -0.16 -2.24 -1.26 -4.48 114.28 99.83 1qr2 n THR 158 Ca 0.18 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 1qr2 n THR 158 Cb 0.53 0.33 0.04 0.00 -2.10 0.00 0.00 70.33 69.12 1qr2 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qr2 s GLY 159 N -0.97 1.62 0.41 3.38 0.00 0.10 -4.97 107.32 106.89 1qr2 s GLY 159 Ca 0.37 -0.49 0.14 0.00 0.00 0.00 0.00 44.72 44.74 1qr2 s GLY 159 CO 0.24 -0.15 1.92 -0.24 0.00 0.00 0.00 173.10 174.87 1qr2 h VAL 160 N -0.47 1.18 -0.01 1.40 3.04 -1.79 -2.45 116.25 117.15 1qr2 h VAL 160 Ca -0.45 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 1qr2 h VAL 160 Cb 1.26 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 1qr2 h VAL 160 CO 0.63 0.26 -0.40 0.59 -1.01 0.00 0.00 177.57 177.64 1qr2 n ASN 161 N -4.20 1.08 -0.07 3.17 5.03 -0.29 -5.07 115.26 114.90 1qr2 n ASN 161 Ca -0.02 -0.87 0.01 0.00 0.87 0.00 0.00 54.58 54.57 1qr2 n ASN 161 Cb 0.32 0.28 -0.00 0.00 -1.02 0.00 0.00 39.78 39.36 1qr2 n ASN 161 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qr2 n GLY 162 N 1.40 -1.64 3.73 7.41 0.00 -0.93 -4.85 105.19 110.30 1qr2 n GLY 162 Ca 0.10 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1qr2 n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qr2 n ASP 163 N -1.89 3.78 -0.15 1.61 2.03 -1.07 -2.83 116.55 118.02 1qr2 n ASP 163 Ca -0.00 1.12 0.15 0.00 0.52 0.00 0.00 54.79 56.58 1qr2 n ASP 163 Cb 0.03 -1.57 0.50 0.00 -0.72 0.00 0.00 41.12 39.37 1qr2 n ASP 163 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1qr2 h SER 164 N 5.43 0.39 0.47 1.67 4.64 -0.72 0.49 113.55 125.91 1qr2 h SER 164 Ca -0.45 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1qr2 h SER 164 Cb 1.22 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1qr2 h SER 164 CO 0.85 0.20 -0.05 0.03 -0.87 0.00 0.00 176.83 176.99 1qr2 h ARG 165 N 0.41 0.00 -0.07 4.77 3.08 -1.85 -3.02 114.38 117.71 1qr2 h ARG 165 Ca 0.36 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.43 1qr2 h ARG 165 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1qr2 h ARG 165 CO -0.11 0.05 -0.05 1.88 -1.07 0.00 0.00 179.97 180.67 1qr2 h TYR 166 N 0.00 -0.11 0.00 3.04 0.05 -1.07 -2.44 116.97 116.44 1qr2 h TYR 166 Ca -0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1qr2 h TYR 166 Cb 0.29 0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1qr2 h TYR 166 CO 0.00 -0.07 0.00 0.27 -1.05 0.00 0.00 178.16 177.31 1qr2 h PHE 167 N -0.05 0.00 0.00 4.88 -5.15 -1.68 -2.92 116.94 112.03 1qr2 h PHE 167 Ca 0.04 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.75 1qr2 h PHE 167 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.28 1qr2 h PHE 167 CO -0.15 0.00 -0.29 -0.07 -2.00 0.00 0.00 178.31 175.80 1qr2 h LEU 168 N 0.00 0.00 -0.66 2.10 3.38 -1.49 -3.36 115.31 115.28 1qr2 h LEU 168 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1qr2 h LEU 168 Cb 0.48 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 1qr2 h LEU 168 CO 0.00 0.29 -0.47 -0.25 0.09 0.00 0.00 178.44 178.09 1qr2 h TRP 169 N 0.00 -1.42 -0.82 1.13 2.91 -1.45 0.16 115.95 116.45 1qr2 h TRP 169 Ca -0.00 0.09 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 1qr2 h TRP 169 Cb 0.92 0.71 -0.04 0.00 -0.51 0.00 0.00 29.16 30.24 1qr2 h TRP 169 CO 0.00 -0.42 0.46 -1.35 -1.03 0.00 0.00 178.44 176.10 1qr2 h PRO 170 N -0.20 1.14 0.10 2.65 0.11 -1.83 0.43 132.00 134.41 1qr2 h PRO 170 Ca 0.18 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1qr2 h PRO 170 Cb 0.55 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1qr2 h PRO 170 CO -0.74 0.82 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.75 1qr2 h LEU 171 N 1.15 -0.12 0.44 2.35 3.38 -1.66 0.35 115.31 121.21 1qr2 h LEU 171 Ca 0.29 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1qr2 h LEU 171 Cb 0.01 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1qr2 h LEU 171 CO -0.05 0.51 -0.21 1.56 0.09 0.00 0.00 178.44 180.34 1qr2 h GLN 172 N -0.88 -0.57 0.00 1.13 4.20 -0.74 -1.30 115.11 116.95 1qr2 h GLN 172 Ca -0.01 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1qr2 h GLN 172 Cb 0.55 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 1qr2 h GLN 172 CO 0.02 -0.27 -0.18 1.25 -0.67 0.00 0.00 178.83 178.98 1qr2 h HIS 173 N -1.02 0.00 -0.74 2.96 2.76 -1.11 0.93 115.15 118.94 1qr2 h HIS 173 Ca -0.06 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1qr2 h HIS 173 Cb 0.56 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 1qr2 h HIS 173 CO 0.02 0.54 0.49 0.78 -1.30 0.00 0.00 177.93 178.45 1qr2 h GLY 174 N -1.00 1.02 0.00 5.26 0.00 -0.81 -2.67 103.07 104.87 1qr2 h GLY 174 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1qr2 h GLY 174 CO -0.02 0.29 -0.24 2.41 0.00 0.00 0.00 176.54 178.98 1qr2 n THR 175 N -4.46 0.43 0.35 4.70 -1.04 0.07 -4.50 114.28 109.82 1qr2 n THR 175 Ca 0.10 0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 62.31 1qr2 n THR 175 Cb 0.14 -1.64 -0.07 0.00 -1.82 0.00 0.00 70.33 66.94 1qr2 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1qr2 h LEU 176 N -0.24 -0.82 -1.15 -4.42 3.38 -1.20 -1.68 115.31 109.18 1qr2 h LEU 176 Ca 0.00 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1qr2 h LEU 176 Cb 0.24 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1qr2 h LEU 176 CO 0.00 -0.55 0.59 -0.74 0.09 0.00 0.00 178.44 177.83 1qr2 h HIS 177 N -0.91 1.01 -0.72 1.13 2.76 -0.89 0.48 115.15 118.01 1qr2 h HIS 177 Ca -0.09 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.17 1qr2 h HIS 177 Cb 0.71 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 1qr2 h HIS 177 CO 0.03 0.47 0.48 0.35 -1.30 0.00 0.00 177.93 177.96 1qr2 h PHE 178 N 0.94 0.76 -0.00 5.26 3.57 -1.31 -0.20 116.94 125.97 1qr2 h PHE 178 Ca 0.42 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.94 1qr2 h PHE 178 Cb 0.38 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1qr2 h PHE 178 CO -0.00 0.40 -0.03 0.00 -2.23 0.00 0.00 178.31 176.45 1qr2 n GLY 180 N 1.14 1.69 3.62 0.00 0.00 -0.09 -0.55 105.19 111.00 1qr2 n GLY 180 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1qr2 n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qr2 n PHE 181 N -1.66 0.82 -3.96 1.61 3.72 -0.88 -3.79 117.46 113.32 1qr2 n PHE 181 Ca 0.00 0.43 -0.35 0.00 -0.05 0.00 0.00 57.45 57.48 1qr2 n PHE 181 Cb 0.00 -2.14 -0.09 0.00 -0.94 0.00 0.00 39.48 36.32 1qr2 n PHE 181 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1qr2 s LYS 182 N -2.77 3.83 -0.20 -1.08 1.02 0.18 -4.24 119.74 116.48 1qr2 s LYS 182 Ca 0.76 -0.29 -0.12 0.00 0.02 0.00 0.00 55.97 56.34 1qr2 s LYS 182 Cb -0.41 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 1qr2 s LYS 182 CO 0.47 0.41 0.24 0.08 -0.92 0.00 0.00 175.35 175.63 1qr2 s VAL 183 N 0.00 5.33 0.28 3.17 1.01 -1.26 -0.77 120.40 128.15 1qr2 s VAL 183 Ca 0.07 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1qr2 s VAL 183 Cb -0.12 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1qr2 s VAL 183 CO 0.00 0.37 0.51 -0.76 0.00 0.00 0.00 175.10 175.22 1qr2 s LEU 184 N 0.73 4.09 0.25 3.92 1.43 -0.66 0.02 118.68 128.47 1qr2 s LEU 184 Ca 0.13 0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 53.50 1qr2 s LEU 184 Cb -0.13 -3.38 -0.15 0.00 0.03 0.00 0.00 46.19 42.56 1qr2 s LEU 184 CO 0.03 -0.18 1.04 0.00 0.23 0.00 0.00 176.35 177.47 1qr2 n ALA 185 N -1.06 -0.44 -1.33 4.21 0.00 -1.26 -4.69 120.51 115.94 1qr2 n ALA 185 Ca -0.03 0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.49 1qr2 n ALA 185 Cb 0.54 -2.01 0.08 0.00 0.00 0.00 0.00 19.45 18.06 1qr2 n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qr2 s PRO 186 N -1.20 2.36 -0.35 0.00 0.04 -1.26 -4.73 135.00 129.85 1qr2 s PRO 186 Ca 0.63 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 1qr2 s PRO 186 Cb -0.75 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 31.98 1qr2 s PRO 186 CO 0.58 -1.60 0.10 -1.14 0.04 0.00 0.00 177.00 174.98 1qr2 s GLN 187 N -4.35 2.16 -0.26 4.56 2.00 0.32 -5.00 119.66 119.08 1qr2 s GLN 187 Ca 0.66 -1.57 -0.06 0.00 -2.00 0.00 0.00 55.36 52.40 1qr2 s GLN 187 Cb -0.21 -3.37 -0.00 0.00 0.80 0.00 0.00 33.01 30.22 1qr2 s GLN 187 CO 0.48 -0.86 0.04 0.42 -0.50 0.00 0.00 175.29 174.87 1qr2 s ILE 188 N 1.18 3.81 -0.98 -2.34 1.01 -1.26 -0.38 121.20 122.23 1qr2 s ILE 188 Ca 0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 1qr2 s ILE 188 Cb -0.21 -2.86 0.25 0.00 0.01 0.00 0.00 42.46 39.65 1qr2 s ILE 188 CO -0.03 0.24 0.94 -0.44 0.00 0.00 0.00 174.94 175.65 1qr2 s SER 189 N 1.51 6.92 0.43 3.58 0.01 0.28 -4.99 113.70 121.44 1qr2 s SER 189 Ca 0.04 -3.30 -0.26 0.00 1.31 0.00 0.00 55.95 53.74 1qr2 s SER 189 Cb -0.16 -2.16 -0.09 0.00 0.21 0.00 0.00 66.02 63.82 1qr2 s SER 189 CO 0.01 -0.37 1.37 0.49 0.41 0.00 0.00 173.24 175.15 1qr2 n PHE 190 N 3.08 2.50 -3.59 2.43 3.72 -1.26 -2.81 117.46 121.53 1qr2 n PHE 190 Ca 0.20 0.47 -0.16 0.00 -0.05 0.00 0.00 57.45 57.90 1qr2 n PHE 190 Cb 0.41 -2.43 -0.01 0.00 -0.94 0.00 0.00 39.48 36.51 1qr2 n PHE 190 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qr2 n ALA 191 N -0.14 -1.55 -0.26 4.37 0.00 -0.33 -4.82 120.51 117.78 1qr2 n ALA 191 Ca 0.05 -0.21 0.04 0.00 0.00 0.00 0.00 53.44 53.32 1qr2 n ALA 191 Cb 0.40 -0.71 0.17 0.00 0.00 0.00 0.00 19.45 19.32 1qr2 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qr2 h PRO 192 N 0.35 0.54 -0.51 0.00 0.13 -1.71 -0.61 132.00 130.18 1qr2 h PRO 192 Ca -0.28 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.86 1qr2 h PRO 192 Cb 0.57 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 1qr2 h PRO 192 CO 0.25 0.36 0.34 0.93 -0.23 0.00 0.00 178.00 179.65 1qr2 h GLU 193 N 0.56 0.51 0.05 0.86 5.08 -1.88 -1.51 114.58 118.24 1qr2 h GLU 193 Ca 0.40 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.49 1qr2 h GLU 193 Cb 0.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1qr2 h GLU 193 CO -0.33 0.34 -1.05 0.82 -1.00 0.00 0.00 179.01 177.78 1qr2 h ILE 194 N 0.53 1.54 -4.20 3.13 2.04 -1.49 -3.47 117.51 115.59 1qr2 h ILE 194 Ca 0.21 -2.96 -0.52 0.00 1.00 0.00 0.00 64.86 62.59 1qr2 h ILE 194 Cb 0.19 2.74 0.20 0.00 -0.74 0.00 0.00 36.82 39.21 1qr2 h ILE 194 CO -0.06 0.86 0.18 0.00 0.00 0.00 0.00 178.15 179.13 1qr2 n ALA 195 N -2.47 -0.87 -2.15 1.87 0.00 -0.57 -5.03 120.51 111.30 1qr2 n ALA 195 Ca -0.05 -0.54 -0.27 0.00 0.00 0.00 0.00 53.44 52.58 1qr2 n ALA 195 Cb 0.92 -2.18 0.02 0.00 0.00 0.00 0.00 19.45 18.22 1qr2 n ALA 195 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qr2 s SER 196 N -2.54 5.83 0.30 0.00 1.04 -1.26 -4.84 113.70 112.22 1qr2 s SER 196 Ca 0.67 0.77 0.06 0.00 0.48 0.00 0.00 55.95 57.94 1qr2 s SER 196 Cb -0.24 -1.88 0.79 0.00 0.10 0.00 0.00 66.02 64.80 1qr2 s SER 196 CO 0.58 -0.89 1.72 -0.08 0.98 0.00 0.00 173.24 175.55 1qr2 h GLU 197 N -0.02 0.52 0.30 4.02 4.57 -1.95 0.99 114.58 123.01 1qr2 h GLU 197 Ca -0.46 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 1qr2 h GLU 197 Cb 1.24 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1qr2 h GLU 197 CO 0.61 0.35 -0.14 0.93 -1.18 0.00 0.00 179.01 179.57 1qr2 h GLU 198 N 0.54 -0.39 -0.97 1.92 3.07 -1.99 -2.30 114.58 114.45 1qr2 h GLU 198 Ca 0.60 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.63 1qr2 h GLU 198 Cb 1.10 0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 29.01 1qr2 h GLU 198 CO -0.48 -0.06 0.61 0.93 -1.40 0.00 0.00 179.01 178.61 1qr2 h GLU 199 N -0.80 0.79 -0.23 2.33 5.08 -1.62 0.18 114.58 120.31 1qr2 h GLU 199 Ca -0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1qr2 h GLU 199 Cb 0.51 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1qr2 h GLU 199 CO 0.07 0.53 0.14 0.00 -1.00 0.00 0.00 179.01 178.74 1qr2 h ARG 200 N 0.82 0.31 -0.75 2.33 3.08 -0.81 -0.56 114.38 118.80 1qr2 h ARG 200 Ca 0.50 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.59 1qr2 h ARG 200 Cb 0.69 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.62 1qr2 h ARG 200 CO -0.27 0.26 0.43 0.87 -1.07 0.00 0.00 179.97 180.19 1qr2 h LYS 201 N 0.28 0.76 -0.59 0.04 1.57 -0.44 -0.42 116.57 117.78 1qr2 h LYS 201 Ca 0.08 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1qr2 h LYS 201 Cb 0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1qr2 h LYS 201 CO -0.02 0.50 0.16 0.78 -0.57 0.00 0.00 179.45 180.31 1qr2 h GLY 202 N 0.78 0.96 0.92 3.86 0.00 -0.62 0.14 103.07 109.12 1qr2 h GLY 202 Ca 0.34 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1qr2 h GLY 202 CO -0.19 0.52 -0.02 -0.33 0.00 0.00 0.00 176.54 176.52 1qr2 h MET 203 N 0.86 0.64 -0.37 4.80 2.86 0.20 0.17 114.93 124.10 1qr2 h MET 203 Ca 0.19 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1qr2 h MET 203 Cb 0.28 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1qr2 h MET 203 CO -0.00 0.76 0.08 0.28 1.06 0.00 0.00 176.91 179.08 1qr2 h VAL 204 N 0.44 1.23 -0.29 -2.22 2.07 -0.82 -2.83 116.25 113.83 1qr2 h VAL 204 Ca 0.10 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1qr2 h VAL 204 Cb 0.48 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1qr2 h VAL 204 CO 0.02 0.27 0.17 0.00 0.02 0.00 0.00 177.57 178.05 1qr2 h ALA 205 N 0.92 0.37 -0.80 1.67 0.00 -0.64 -2.58 119.26 118.21 1qr2 h ALA 205 Ca 0.11 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1qr2 h ALA 205 Cb 0.32 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1qr2 h ALA 205 CO 0.00 -0.12 0.52 0.00 0.00 0.00 0.00 179.25 179.65 1qr2 h ALA 206 N 1.06 1.84 -0.10 0.00 0.00 -0.86 0.22 119.26 121.43 1qr2 h ALA 206 Ca 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1qr2 h ALA 206 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1qr2 h ALA 206 CO -0.02 -0.02 -0.01 2.35 0.00 0.00 0.00 179.25 181.55 1qr2 h TRP 207 N 0.66 0.20 -0.15 0.00 -0.00 -1.22 -0.54 115.95 114.89 1qr2 h TRP 207 Ca 0.38 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 59.23 1qr2 h TRP 207 Cb 0.56 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 29.66 1qr2 h TRP 207 CO -0.00 0.46 0.09 0.77 -0.00 0.00 0.00 178.44 179.76 1qr2 h SER 208 N -0.11 0.19 -0.86 2.65 0.02 -0.96 -0.90 113.55 113.57 1qr2 h SER 208 Ca 0.03 -0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1qr2 h SER 208 Cb 0.38 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.80 1qr2 h SER 208 CO 0.01 0.19 0.50 -0.61 -1.14 0.00 0.00 176.83 175.78 1qr2 h GLN 209 N 0.17 0.81 -0.49 3.45 4.15 -0.56 -1.23 115.11 121.41 1qr2 h GLN 209 Ca 0.06 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1qr2 h GLN 209 Cb 0.04 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 1qr2 h GLN 209 CO -0.01 0.54 -0.18 -0.09 -1.93 0.00 0.00 178.83 177.15 1qr2 h ARG 210 N 0.83 0.98 0.00 1.69 2.43 -0.63 -2.92 114.38 116.76 1qr2 h ARG 210 Ca 0.42 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1qr2 h ARG 210 Cb 0.39 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1qr2 h ARG 210 CO -0.25 1.07 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.13 1qr2 h LEU 211 N 0.85 0.00 -1.62 3.80 3.38 0.01 -2.15 115.31 119.59 1qr2 h LEU 211 Ca 0.12 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1qr2 h LEU 211 Cb 0.75 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1qr2 h LEU 211 CO 0.06 0.08 0.45 1.56 0.09 0.00 0.00 178.44 180.68 1qr2 h GLN 212 N 0.00 0.40 -0.01 1.13 4.20 -1.21 -2.25 115.11 117.36 1qr2 h GLN 212 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1qr2 h GLN 212 Cb 0.18 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1qr2 h GLN 212 CO 0.01 0.26 -0.14 0.25 -0.67 0.00 0.00 178.83 178.54 1qr2 n THR 213 N -4.47 2.00 0.17 -0.54 -2.24 -0.85 -4.77 114.28 103.59 1qr2 n THR 213 Ca 0.12 -2.55 0.06 0.00 -2.27 0.00 0.00 64.05 59.42 1qr2 n THR 213 Cb 0.44 -0.24 0.56 0.00 -2.10 0.00 0.00 70.33 68.99 1qr2 n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1qr2 h ILE 214 N 0.34 1.05 0.00 2.28 6.09 -0.97 -1.51 117.51 124.78 1qr2 h ILE 214 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 1qr2 h ILE 214 Cb 1.02 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.18 1qr2 h ILE 214 CO 0.01 0.05 0.00 0.79 -3.07 0.00 0.00 178.15 175.93 1qr2 n TRP 215 N -4.50 0.00 0.65 2.19 7.02 -1.26 -2.66 117.44 118.88 1qr2 n TRP 215 Ca -0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.58 1qr2 n TRP 215 Cb 0.09 -0.44 -0.08 0.00 -2.42 0.00 0.00 31.31 28.46 1qr2 n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1qr2 n LYS 216 N -1.44 0.23 -2.07 -0.99 5.02 -0.57 -4.98 118.16 113.36 1qr2 n LYS 216 Ca 0.07 -0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 1qr2 n LYS 216 Cb 0.26 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 33.76 1qr2 n LYS 216 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1qr2 s GLU 217 N -3.17 3.10 0.10 1.97 2.02 -1.09 -5.06 118.70 116.57 1qr2 s GLU 217 Ca 0.03 1.64 0.03 0.00 0.02 0.00 0.00 54.97 56.69 1qr2 s GLU 217 Cb 0.15 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 1qr2 s GLU 217 CO 0.86 -1.06 0.16 -1.21 0.02 0.00 0.00 175.26 174.02 1qr2 s GLU 218 N -3.47 3.12 0.56 1.61 0.41 -1.26 -5.10 118.70 114.58 1qr2 s GLU 218 Ca 0.73 -0.64 -0.16 0.00 -0.41 0.00 0.00 54.97 54.49 1qr2 s GLU 218 Cb -0.25 -2.83 -0.06 0.00 -1.78 0.00 0.00 34.13 29.21 1qr2 s GLU 218 CO 0.32 0.56 1.02 -1.25 -0.49 0.00 0.00 175.26 175.41 1qr2 s PRO 219 N -2.69 3.65 0.68 0.39 0.04 -1.26 -4.62 135.00 131.18 1qr2 s PRO 219 Ca 0.32 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 1qr2 s PRO 219 Cb -0.12 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1qr2 s PRO 219 CO 0.25 -0.53 1.06 0.96 0.04 0.00 0.00 177.00 178.78 1qr2 s ILE 220 N -2.62 4.01 -0.71 0.56 -4.36 0.10 -4.95 121.20 113.22 1qr2 s ILE 220 Ca 0.60 0.70 -0.26 0.00 -0.26 0.00 0.00 60.65 61.43 1qr2 s ILE 220 Cb -0.12 -3.41 0.04 0.00 1.25 0.00 0.00 42.46 40.22 1qr2 s ILE 220 CO 0.36 -0.81 1.18 -2.84 0.24 0.00 0.00 174.94 173.07 1qr2 s PRO 221 N -4.89 3.16 -1.08 0.37 0.02 -1.26 -4.68 135.00 126.64 1qr2 s PRO 221 Ca 0.59 -0.43 -0.21 0.00 0.02 0.00 0.00 61.00 60.97 1qr2 s PRO 221 Cb -0.14 -4.20 -0.08 0.00 0.02 0.00 0.00 34.50 30.11 1qr2 s PRO 221 CO 0.52 -2.04 1.94 0.00 -0.33 0.00 0.00 177.00 177.08 1qr2 s THR 223 N 6.90 1.25 0.28 0.00 -4.23 -1.26 -4.96 115.64 113.62 1qr2 s THR 223 Ca 0.60 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 1qr2 s THR 223 Cb 0.07 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.28 1qr2 s THR 223 CO 0.10 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.89 1qr2 h ALA 224 N 1.89 1.10 -0.60 3.99 0.00 -1.96 -2.88 119.26 120.79 1qr2 h ALA 224 Ca -0.41 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 1qr2 h ALA 224 Cb 1.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1qr2 h ALA 224 CO 0.70 0.57 0.21 1.25 0.00 0.00 0.00 179.25 181.98 1qr2 h HIS 225 N 0.35 0.96 -0.54 0.00 -0.00 -1.93 0.24 115.15 114.22 1qr2 h HIS 225 Ca 0.04 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1qr2 h HIS 225 Cb 0.73 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.83 1qr2 h HIS 225 CO 0.02 0.78 0.29 2.35 -0.00 0.00 0.00 177.93 181.37 1qr2 h TRP 226 N 0.85 0.75 -0.07 5.26 7.01 -1.74 0.39 115.95 128.39 1qr2 h TRP 226 Ca 0.20 -0.02 -0.20 0.00 2.11 0.00 0.00 58.89 60.97 1qr2 h TRP 226 Cb 0.26 -0.24 0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1qr2 h TRP 226 CO 0.02 0.55 -0.75 0.45 -2.79 0.00 0.00 178.44 175.92 1qr2 h HIS 227 N 0.72 0.89 -0.00 2.65 3.86 -1.32 -3.39 115.15 118.56 1qr2 h HIS 227 Ca 0.19 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1qr2 h HIS 227 Cb 0.06 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1qr2 h HIS 227 CO -0.01 1.25 -0.09 1.19 0.86 0.00 0.00 177.93 181.13 1qr2 n PHE 228 N -4.04 0.00 0.00 2.45 3.72 0.81 -4.25 117.46 116.15 1qr2 n PHE 228 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1qr2 n PHE 228 Cb 0.73 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 1qr2 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qr2 n GLY 229 N 0.70 1.24 2.44 1.37 0.00 0.14 -5.00 105.19 106.07 1qr2 n GLY 229 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1qr2 n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93