#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 -2.83 3.08 0.00 0.00 -1.26 -4.96 105.19 99.22 1qr2 n GLY 2 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.58 2.54 -0.12 1.61 -0.14 -1.26 -5.05 119.74 113.74 1qr2 s LYS 3 Ca 0.00 -0.67 -0.13 0.00 -1.36 0.00 0.00 55.97 53.82 1qr2 s LYS 3 Cb 0.00 -2.18 -0.05 0.00 -1.68 0.00 0.00 37.83 33.92 1qr2 s LYS 3 CO 0.00 -0.13 0.29 0.15 -0.76 0.00 0.00 175.35 174.90 1qr2 s LYS 4 N 1.15 4.03 -0.08 1.68 1.02 -1.26 -0.99 119.74 125.30 1qr2 s LYS 4 Ca -0.01 0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.12 1qr2 s LYS 4 Cb -0.14 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 1qr2 s LYS 4 CO -0.06 0.44 -0.15 0.08 -0.92 0.00 0.00 175.35 174.74 1qr2 s VAL 5 N -0.15 1.35 -0.21 3.17 1.01 0.10 -0.38 120.40 125.29 1qr2 s VAL 5 Ca 0.18 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1qr2 s VAL 5 Cb -0.14 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1qr2 s VAL 5 CO 0.06 0.40 -0.05 -0.22 0.00 0.00 0.00 175.10 175.29 1qr2 s LEU 6 N 0.65 2.88 -0.32 3.92 2.96 -0.31 -1.17 118.68 127.30 1qr2 s LEU 6 Ca -0.14 -0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1qr2 s LEU 6 Cb -0.16 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1qr2 s LEU 6 CO 0.04 -0.00 0.10 -0.63 -1.32 0.00 0.00 176.35 174.54 1qr2 s ILE 7 N 1.36 3.96 -0.45 6.68 1.01 -0.17 -0.58 121.20 133.02 1qr2 s ILE 7 Ca 0.04 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 1qr2 s ILE 7 Cb -0.14 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.23 1qr2 s ILE 7 CO -0.03 -0.03 0.65 -0.69 0.00 0.00 0.00 174.94 174.84 1qr2 s VAL 8 N 1.47 4.82 -0.17 2.92 1.01 0.10 -0.73 120.40 129.83 1qr2 s VAL 8 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1qr2 s VAL 8 Cb -0.18 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1qr2 s VAL 8 CO 0.03 -0.65 0.02 -0.47 0.00 0.00 0.00 175.10 174.04 1qr2 s TYR 9 N 2.84 3.17 -0.51 5.22 5.04 0.42 -1.23 117.35 132.29 1qr2 s TYR 9 Ca 0.22 -0.05 0.04 0.00 -2.44 0.00 0.00 57.07 54.83 1qr2 s TYR 9 Cb -0.15 -2.02 0.16 0.00 0.35 0.00 0.00 41.96 40.30 1qr2 s TYR 9 CO 0.18 0.11 0.36 0.00 -1.34 0.00 0.00 175.55 174.86 1qr2 s ALA 10 N 0.29 2.28 -0.12 3.97 0.00 -0.56 -2.01 121.76 125.61 1qr2 s ALA 10 Ca 0.01 -2.89 -0.21 0.00 0.00 0.00 0.00 51.96 48.88 1qr2 s ALA 10 Cb -0.13 -1.83 0.05 0.00 0.00 0.00 0.00 23.12 21.21 1qr2 s ALA 10 CO 0.01 -2.04 0.51 -1.58 0.00 0.00 0.00 175.76 172.67 1qr2 s HIS 11 N -0.31 -0.51 -0.09 0.00 5.04 -1.26 -4.37 115.29 113.79 1qr2 s HIS 11 Ca 0.27 1.08 0.14 0.00 -1.54 0.00 0.00 55.06 55.00 1qr2 s HIS 11 Cb -0.06 0.23 -0.07 0.00 0.04 0.00 0.00 32.58 32.72 1qr2 s HIS 11 CO -0.14 -0.39 1.16 1.96 -2.34 0.00 0.00 174.74 175.00 1qr2 h GLN 12 N 4.40 0.00 -4.82 2.88 7.50 -2.00 -3.44 115.11 119.64 1qr2 h GLN 12 Ca -0.28 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.20 1qr2 h GLN 12 Cb 1.17 0.00 -0.24 0.00 0.05 0.00 0.00 27.48 28.46 1qr2 h GLN 12 CO 0.28 0.52 -0.59 -2.00 -1.50 0.00 0.00 178.83 175.53 1qr2 s GLU 13 N -2.88 3.31 0.28 1.46 2.56 -1.26 -4.99 118.70 117.18 1qr2 s GLU 13 Ca 0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 54.97 54.24 1qr2 s GLU 13 Cb 0.08 -3.45 0.42 0.00 2.00 0.00 0.00 34.13 33.18 1qr2 s GLU 13 CO 0.78 -0.38 1.91 -1.35 -0.56 0.00 0.00 175.26 175.67 1qr2 h PRO 14 N 8.29 1.14 0.00 4.30 0.11 -1.99 -1.69 132.00 142.16 1qr2 h PRO 14 Ca -0.33 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1qr2 h PRO 14 Cb 1.14 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1qr2 h PRO 14 CO 0.60 0.75 0.00 1.63 -0.21 0.00 0.00 178.00 180.78 1qr2 n LYS 15 N -4.46 0.80 -2.36 1.05 5.02 -1.26 -4.25 118.16 112.70 1qr2 n LYS 15 Ca 0.13 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.14 1qr2 n LYS 15 Cb 0.13 -1.07 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.31 6.06 0.52 4.39 1.04 -0.64 -4.88 113.70 118.88 1qr2 s SER 16 Ca 0.06 1.00 0.23 0.00 0.48 0.00 0.00 55.95 57.72 1qr2 s SER 16 Cb 0.03 -2.16 1.36 0.00 0.10 0.00 0.00 66.02 65.34 1qr2 s SER 16 CO 0.04 -0.80 2.02 0.15 0.98 0.00 0.00 173.24 175.64 1qr2 h PHE 17 N -0.04 0.02 -0.20 5.02 3.57 -1.89 0.36 116.94 123.78 1qr2 h PHE 17 Ca -0.46 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 60.83 1qr2 h PHE 17 Cb 1.22 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.96 1qr2 h PHE 17 CO 0.57 0.01 -0.69 -0.91 -2.23 0.00 0.00 178.31 175.06 1qr2 h ASN 18 N 0.02 0.96 -0.54 0.41 2.35 -1.92 -1.30 115.58 115.56 1qr2 h ASN 18 Ca 0.21 -0.59 -0.08 0.00 -0.55 0.00 0.00 56.30 55.28 1qr2 h ASN 18 Cb 0.80 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1qr2 h ASN 18 CO -0.01 1.39 0.01 1.23 -1.65 0.00 0.00 177.43 178.40 1qr2 h GLY 19 N 0.58 1.02 1.00 2.83 0.00 -0.63 -1.72 103.07 106.15 1qr2 h GLY 19 Ca -0.03 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 1qr2 h GLY 19 CO 0.15 0.69 0.35 1.76 0.00 0.00 0.00 176.54 179.48 1qr2 h SER 20 N 0.82 0.78 -0.12 0.19 0.02 -0.64 0.21 113.55 114.81 1qr2 h SER 20 Ca 0.15 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1qr2 h SER 20 Cb 0.52 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1qr2 h SER 20 CO 0.03 0.64 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.18 1qr2 h LEU 21 N 0.85 0.43 -0.03 5.07 3.38 -1.04 0.37 115.31 124.34 1qr2 h LEU 21 Ca 0.22 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1qr2 h LEU 21 Cb 0.03 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.68 1qr2 h LEU 21 CO -0.04 0.57 -0.82 0.50 0.09 0.00 0.00 178.44 178.75 1qr2 h LYS 22 N 0.42 0.60 -0.62 1.13 3.11 -0.72 -2.50 116.57 117.99 1qr2 h LYS 22 Ca 0.08 -0.61 -0.05 0.00 -2.81 0.00 0.00 60.65 57.26 1qr2 h LYS 22 Cb 0.45 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.81 1qr2 h LYS 22 CO 0.02 1.22 0.19 -0.91 -2.81 0.00 0.00 179.45 177.17 1qr2 h ASN 23 N 0.22 0.91 -0.49 4.20 2.35 -0.34 -1.02 115.58 121.40 1qr2 h ASN 23 Ca -0.09 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.37 1qr2 h ASN 23 Cb 1.49 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.60 1qr2 h ASN 23 CO 0.16 0.87 0.02 0.58 -1.65 0.00 0.00 177.43 177.42 1qr2 h VAL 24 N 0.89 1.25 -0.50 2.81 2.07 -1.00 0.65 116.25 122.42 1qr2 h VAL 24 Ca 0.20 -1.04 -0.12 0.00 0.82 0.00 0.00 66.70 66.57 1qr2 h VAL 24 Cb 0.29 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1qr2 h VAL 24 CO -0.01 0.37 -0.15 0.00 0.02 0.00 0.00 177.57 177.81 1qr2 h ALA 25 N 1.17 0.79 -0.06 1.67 0.00 -1.12 -0.81 119.26 120.90 1qr2 h ALA 25 Ca 0.16 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qr2 h ALA 25 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qr2 h ALA 25 CO 0.02 0.66 0.03 0.28 0.00 0.00 0.00 179.25 180.24 1qr2 h VAL 26 N 0.86 1.14 0.20 0.00 2.07 -0.79 -1.64 116.25 118.08 1qr2 h VAL 26 Ca 0.13 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1qr2 h VAL 26 Cb 0.70 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1qr2 h VAL 26 CO 0.05 0.11 -0.25 0.44 0.02 0.00 0.00 177.57 177.95 1qr2 h ASP 27 N -0.05 -0.71 -0.22 0.57 3.32 -0.69 0.11 116.42 118.75 1qr2 h ASP 27 Ca 0.02 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.19 1qr2 h ASP 27 Cb 0.16 0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 1qr2 h ASP 27 CO -0.00 -0.32 -0.24 -0.08 -1.72 0.00 0.00 179.24 176.88 1qr2 h GLU 28 N -0.47 -0.25 -0.10 3.56 4.57 -1.21 0.80 114.58 121.49 1qr2 h GLU 28 Ca -0.02 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1qr2 h GLU 28 Cb 0.42 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1qr2 h GLU 28 CO -0.06 -0.17 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.30 1qr2 h LEU 29 N -0.26 0.17 -0.32 1.64 3.38 -1.26 -1.01 115.31 117.65 1qr2 h LEU 29 Ca 0.13 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 1qr2 h LEU 29 Cb 0.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1qr2 h LEU 29 CO -0.37 0.42 -0.68 -1.28 0.09 0.00 0.00 178.44 176.61 1qr2 h SER 30 N 0.16 0.76 -0.40 -0.43 0.87 -0.25 -1.30 113.55 112.97 1qr2 h SER 30 Ca 0.03 -0.47 -0.05 0.00 -1.23 0.00 0.00 61.79 60.08 1qr2 h SER 30 Cb 0.51 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1qr2 h SER 30 CO 0.04 1.23 0.10 -0.09 -0.53 0.00 0.00 176.83 177.58 1qr2 h ARG 31 N 0.47 0.71 0.00 2.24 2.43 -0.28 -0.53 114.38 119.42 1qr2 h ARG 31 Ca -0.02 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1qr2 h ARG 31 Cb 1.28 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1qr2 h ARG 31 CO 0.13 0.66 0.00 1.04 -1.51 0.00 0.00 179.97 180.29 1qr2 n GLN 32 N -4.29 0.03 -0.36 0.20 6.02 -0.44 -4.86 117.38 113.68 1qr2 n GLN 32 Ca 0.03 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1qr2 n GLN 32 Cb 0.22 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 0.29 0.82 3.82 1.08 0.00 -0.21 -5.07 105.19 105.93 1qr2 n GLY 33 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.07 5.10 -0.08 0.00 2.01 -0.16 -4.59 115.64 114.84 1qr2 s THR 35 Ca 0.58 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.73 1qr2 s THR 35 Cb -0.14 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.48 1qr2 s THR 35 CO 0.55 0.23 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.91 1qr2 s VAL 36 N 1.15 1.08 -0.01 3.82 1.01 -1.26 0.03 120.40 126.22 1qr2 s VAL 36 Ca 0.29 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1qr2 s VAL 36 Cb -0.16 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1qr2 s VAL 36 CO 0.12 0.35 -0.22 -0.89 0.00 0.00 0.00 175.10 174.46 1qr2 s THR 37 N 1.00 1.75 -0.06 3.92 2.01 -0.32 -5.00 115.64 118.94 1qr2 s THR 37 Ca -0.08 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 60.98 1qr2 s THR 37 Cb -0.15 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 70.91 1qr2 s THR 37 CO -0.00 0.47 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.55 1qr2 s VAL 38 N -0.54 1.41 -0.44 3.82 1.01 -1.26 -1.00 120.40 123.39 1qr2 s VAL 38 Ca 0.09 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1qr2 s VAL 38 Cb -0.09 -1.23 0.11 0.00 0.00 0.00 0.00 36.38 35.17 1qr2 s VAL 38 CO -0.01 0.41 0.29 -0.44 0.00 0.00 0.00 175.10 175.35 1qr2 s SER 39 N 0.30 5.57 -1.15 3.32 0.01 0.09 -4.97 113.70 116.88 1qr2 s SER 39 Ca -0.10 -1.86 -0.15 0.00 1.31 0.00 0.00 55.95 55.15 1qr2 s SER 39 Cb -0.14 -1.96 0.16 0.00 0.21 0.00 0.00 66.02 64.29 1qr2 s SER 39 CO 0.04 -0.62 1.38 -0.62 0.41 0.00 0.00 173.24 173.82 1qr2 s ASP 40 N 2.35 6.95 0.23 2.44 -1.08 -1.26 -0.44 116.67 125.86 1qr2 s ASP 40 Ca 0.06 -2.73 -0.15 0.00 -0.52 0.00 0.00 52.55 49.20 1qr2 s ASP 40 Cb -0.25 -2.41 0.26 0.00 -1.46 0.00 0.00 42.92 39.06 1qr2 s ASP 40 CO -0.01 -0.85 1.58 -0.07 0.52 0.00 0.00 175.17 176.34 1qr2 h LEU 41 N 10.05 -1.04 -0.41 -1.34 3.38 -1.78 0.59 115.31 124.77 1qr2 h LEU 41 Ca 0.29 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 1qr2 h LEU 41 Cb 0.91 0.59 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 1qr2 h LEU 41 CO 1.23 -0.29 0.22 1.88 0.09 0.00 0.00 178.44 181.57 1qr2 h TYR 42 N -0.05 0.58 -0.23 1.13 0.05 -1.84 0.12 116.97 116.73 1qr2 h TYR 42 Ca 0.34 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.06 1qr2 h TYR 42 Cb 0.59 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1qr2 h TYR 42 CO -0.70 0.45 -0.05 0.00 -1.05 0.00 0.00 178.16 176.81 1qr2 h ALA 43 N 1.07 1.49 0.00 3.88 0.00 -1.65 0.15 119.26 124.19 1qr2 h ALA 43 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qr2 h ALA 43 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1qr2 h ALA 43 CO -0.02 0.37 0.00 -1.33 0.00 0.00 0.00 179.25 178.26 1qr2 n MET 44 N -4.30 0.01 -3.90 0.00 2.81 0.11 -4.89 117.12 106.96 1qr2 n MET 44 Ca 0.00 0.02 -0.25 0.00 -1.81 0.00 0.00 57.70 55.66 1qr2 n MET 44 Cb 0.24 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 -1.53 -1.16 -4.74 7.83 3.02 0.52 -4.82 115.26 114.39 1qr2 n ASN 45 Ca 0.07 -0.93 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 1qr2 n ASN 45 Cb 0.33 -3.39 -0.02 0.00 -0.61 0.00 0.00 39.78 36.09 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 -4.39 2.81 -2.26 3.10 7.35 -0.60 -4.94 117.46 118.53 1qr2 n PHE 46 Ca -0.25 0.18 -0.43 0.00 -0.76 0.00 0.00 57.45 56.20 1qr2 n PHE 46 Cb 0.66 -2.62 -0.02 0.00 0.35 0.00 0.00 39.48 37.84 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 0.06 3.81 0.23 -4.13 2.56 -1.26 -4.91 118.70 115.06 1qr2 s GLU 47 Ca 0.68 1.42 0.21 0.00 0.00 0.00 0.00 54.97 57.28 1qr2 s GLU 47 Cb -0.50 -3.98 0.05 0.00 2.00 0.00 0.00 34.13 31.70 1qr2 s GLU 47 CO 0.43 -1.27 1.14 -1.35 -0.56 0.00 0.00 175.26 173.65 1qr2 h PRO 48 N 10.22 0.00 -6.31 4.30 0.11 -1.88 -3.43 132.00 135.00 1qr2 h PRO 48 Ca -0.30 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.26 1qr2 h PRO 48 Cb 1.13 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1qr2 h PRO 48 CO 1.02 0.07 0.61 1.03 -0.21 0.00 0.00 178.00 180.53 1qr2 s ARG 49 N -3.24 4.40 -0.67 1.05 0.52 -1.26 -4.37 118.95 115.37 1qr2 s ARG 49 Ca 0.01 1.55 -0.25 0.00 -0.52 0.00 0.00 55.73 56.52 1qr2 s ARG 49 Cb 0.08 -3.53 0.05 0.00 0.52 0.00 0.00 34.95 32.08 1qr2 s ARG 49 CO 0.77 -0.35 1.10 0.00 0.02 0.00 0.00 175.30 176.84 1qr2 s ALA 50 N 1.95 2.97 0.40 2.13 0.00 -1.26 -4.98 121.76 122.97 1qr2 s ALA 50 Ca 0.53 -1.52 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1qr2 s ALA 50 Cb -0.22 -4.01 -0.03 0.00 0.00 0.00 0.00 23.12 18.86 1qr2 s ALA 50 CO 0.21 -2.92 0.13 0.95 0.00 0.00 0.00 175.76 174.13 1qr2 s THR 51 N 4.76 0.63 -1.16 0.00 -4.23 -1.26 -5.02 115.64 109.35 1qr2 s THR 51 Ca 0.29 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.94 1qr2 s THR 51 Cb -0.12 -2.38 0.16 0.00 1.34 0.00 0.00 72.50 71.50 1qr2 s THR 51 CO 0.14 0.00 1.42 -0.90 -0.54 0.00 0.00 174.62 174.74 1qr2 n ASP 52 N -1.26 0.00 0.12 3.99 5.68 -1.26 -1.87 116.55 121.95 1qr2 n ASP 52 Ca -0.06 0.35 0.13 0.00 -0.50 0.00 0.00 54.79 54.71 1qr2 n ASP 52 Cb 0.65 -0.42 0.45 0.00 -1.14 0.00 0.00 41.12 40.66 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 -1.42 0.23 0.00 0.11 5.02 -1.26 -2.83 118.16 118.01 1qr2 n LYS 53 Ca 0.05 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.76 1qr2 n LYS 53 Cb 0.14 -1.84 0.62 0.00 -0.02 0.00 0.00 35.03 33.94 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 -2.25 0.00 -4.16 4.39 8.00 -0.78 -4.61 116.55 117.14 1qr2 n ASP 54 Ca 0.04 -0.40 -0.27 0.00 0.71 0.00 0.00 54.79 54.87 1qr2 n ASP 54 Cb 0.33 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.27 1.57 0.05 0.53 1.09 -1.13 -1.53 121.20 119.51 1qr2 s ILE 55 Ca 0.28 -0.78 0.04 0.00 -1.10 0.00 0.00 60.65 59.08 1qr2 s ILE 55 Cb 0.15 -1.35 -0.04 0.00 -1.06 0.00 0.00 42.46 40.16 1qr2 s ILE 55 CO 0.30 0.45 -0.02 -0.89 -0.10 0.00 0.00 174.94 174.68 1qr2 s THR 56 N 0.09 3.95 0.00 2.92 2.01 0.14 -4.92 115.64 119.83 1qr2 s THR 56 Ca -0.06 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1qr2 s THR 56 Cb -0.13 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1qr2 s THR 56 CO 0.03 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 1qr2 n GLY 57 N 0.97 -1.78 3.70 4.40 0.00 -1.26 -4.78 105.19 106.43 1qr2 n GLY 57 Ca -0.13 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1qr2 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qr2 s THR 58 N 0.00 5.01 0.51 2.61 -4.23 -1.26 -5.04 115.64 113.24 1qr2 s THR 58 Ca 0.00 1.44 -0.21 0.00 -1.18 0.00 0.00 61.69 61.74 1qr2 s THR 58 Cb 0.00 -4.04 -0.06 0.00 1.34 0.00 0.00 72.50 69.74 1qr2 s THR 58 CO 0.00 0.18 1.18 -0.76 -0.54 0.00 0.00 174.62 174.69 1qr2 s LEU 59 N 1.25 3.87 0.45 4.79 1.43 -1.26 -4.91 118.68 124.30 1qr2 s LEU 59 Ca 0.36 2.33 0.14 0.00 -1.03 0.00 0.00 54.13 55.94 1qr2 s LEU 59 Cb -0.17 -4.40 1.07 0.00 0.03 0.00 0.00 46.19 42.73 1qr2 s LEU 59 CO 0.16 -1.18 2.03 0.77 0.23 0.00 0.00 176.35 178.35 1qr2 h SER 60 N 1.57 0.29 -1.49 2.29 4.64 -1.96 -3.35 113.55 115.53 1qr2 h SER 60 Ca -0.50 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.60 1qr2 h SER 60 Cb 1.27 -0.06 -0.25 0.00 -0.31 0.00 0.00 62.40 63.04 1qr2 h SER 60 CO 0.58 0.19 -0.58 0.21 -0.87 0.00 0.00 176.83 176.36 1qr2 s ASN 61 N -6.47 -0.15 0.00 4.97 2.47 -1.26 -5.01 114.94 109.49 1qr2 s ASN 61 Ca -0.07 -1.26 0.18 0.00 0.42 0.00 0.00 52.86 52.14 1qr2 s ASN 61 Cb 0.19 1.23 0.83 0.00 -1.45 0.00 0.00 41.25 42.05 1qr2 s ASN 61 CO 0.73 -0.21 1.58 -0.81 -3.72 0.00 0.00 177.10 174.67 1qr2 n PRO 62 N 4.25 0.09 -0.01 0.43 -0.04 -1.26 -3.03 135.00 135.42 1qr2 n PRO 62 Ca 0.12 0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.57 1qr2 n PRO 62 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1qr2 n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qr2 h GLU 63 N 0.00 0.75 -3.40 0.54 4.39 -1.95 -3.42 114.58 111.50 1qr2 h GLU 63 Ca 0.00 -0.62 -0.47 0.00 0.34 0.00 0.00 59.36 58.60 1qr2 h GLU 63 Cb 0.27 0.13 -0.40 0.00 -0.10 0.00 0.00 28.75 28.65 1qr2 h GLU 63 CO 0.00 1.23 -0.76 0.08 -1.16 0.00 0.00 179.01 178.40 1qr2 s VAL 64 N -3.71 0.25 -0.27 3.13 1.01 -1.17 -5.12 120.40 114.52 1qr2 s VAL 64 Ca -0.10 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.37 1qr2 s VAL 64 Cb 0.09 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1qr2 s VAL 64 CO 0.90 -0.12 1.03 0.12 0.00 0.00 0.00 175.10 177.03 1qr2 s PHE 65 N 1.99 3.25 -0.30 5.22 5.36 -1.26 -4.77 117.98 127.48 1qr2 s PHE 65 Ca 0.02 1.30 0.02 0.00 -0.96 0.00 0.00 56.93 57.31 1qr2 s PHE 65 Cb -0.15 -3.43 0.08 0.00 -0.34 0.00 0.00 43.02 39.18 1qr2 s PHE 65 CO -0.07 -0.60 -0.00 1.21 -1.46 0.00 0.00 175.22 174.29 1qr2 s ASN 66 N 1.42 4.41 0.12 6.13 3.84 -1.26 -5.03 114.94 124.57 1qr2 s ASN 66 Ca 0.43 -1.71 -0.33 0.00 0.21 0.00 0.00 52.86 51.46 1qr2 s ASN 66 Cb -0.14 -1.42 -0.12 0.00 -0.55 0.00 0.00 41.25 39.02 1qr2 s ASN 66 CO 0.10 -0.31 1.56 0.22 -2.79 0.00 0.00 177.10 175.88 1qr2 h TYR 67 N 7.78 -1.58 -0.88 0.43 3.20 -1.96 0.45 116.97 124.40 1qr2 h TYR 67 Ca -0.12 0.06 0.18 0.00 3.14 0.00 0.00 58.73 62.00 1qr2 h TYR 67 Cb 1.03 0.71 -0.11 0.00 1.54 0.00 0.00 36.73 39.90 1qr2 h TYR 67 CO 0.50 -0.55 0.43 0.78 -1.64 0.00 0.00 178.16 177.69 1qr2 h GLY 68 N -0.59 1.49 0.45 1.82 0.00 -1.99 0.49 103.07 104.74 1qr2 h GLY 68 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1qr2 h GLY 68 CO -0.43 -0.15 -0.10 -2.08 0.00 0.00 0.00 176.54 173.78 1qr2 h VAL 69 N 0.53 1.50 -0.59 4.60 2.07 -1.86 -2.64 116.25 119.85 1qr2 h VAL 69 Ca 0.52 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 66.44 1qr2 h VAL 69 Cb 0.87 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 1qr2 h VAL 69 CO -0.44 0.43 0.38 -0.33 0.02 0.00 0.00 177.57 177.63 1qr2 h GLU 70 N -0.50 0.73 -0.02 1.57 4.39 -0.43 -0.69 114.58 119.63 1qr2 h GLU 70 Ca -0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1qr2 h GLU 70 Cb 0.76 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1qr2 h GLU 70 CO 0.02 0.48 -0.01 1.79 -1.16 0.00 0.00 179.01 180.14 1qr2 h THR 71 N 0.75 1.31 -0.71 1.13 1.35 -1.02 0.05 112.91 115.77 1qr2 h THR 71 Ca 0.23 -0.93 0.11 0.00 -0.55 0.00 0.00 66.41 65.27 1qr2 h THR 71 Cb -0.03 1.89 -0.08 0.00 -1.73 0.00 0.00 68.15 68.20 1qr2 h THR 71 CO -0.07 0.25 0.31 -0.74 -0.25 0.00 0.00 175.52 175.02 1qr2 h HIS 72 N -0.33 0.55 -0.33 4.73 -0.00 -1.35 0.32 115.15 118.74 1qr2 h HIS 72 Ca 0.01 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.34 1qr2 h HIS 72 Cb 0.41 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1qr2 h HIS 72 CO 0.06 0.14 -0.06 1.49 -0.00 0.00 0.00 177.93 179.55 1qr2 h GLU 73 N 0.50 0.62 0.00 5.26 4.57 -1.05 -2.82 114.58 121.68 1qr2 h GLU 73 Ca 0.37 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1qr2 h GLU 73 Cb 0.48 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1qr2 h GLU 73 CO -0.33 0.79 -0.18 0.00 -1.18 0.00 0.00 179.01 178.11 1qr2 h ALA 74 N 0.81 1.69 0.53 2.92 0.00 0.17 -1.24 119.26 124.14 1qr2 h ALA 74 Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1qr2 h ALA 74 Cb 0.55 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1qr2 h ALA 74 CO 0.03 0.22 -0.25 -0.92 0.00 0.00 0.00 179.25 178.33 1qr2 h TYR 75 N 0.00 -0.65 0.00 0.00 3.20 -0.17 0.51 116.97 119.86 1qr2 h TYR 75 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1qr2 h TYR 75 Cb 0.32 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 1qr2 h TYR 75 CO 0.00 -0.34 -0.04 0.87 -1.64 0.00 0.00 178.16 177.00 1qr2 h LYS 76 N -0.88 0.00 -0.02 1.82 1.57 -1.30 -0.75 116.57 117.01 1qr2 h LYS 76 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1qr2 h LYS 76 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1qr2 h LYS 76 CO 0.12 0.04 -0.14 1.04 -0.57 0.00 0.00 179.45 179.94 1qr2 n GLN 77 N -3.78 1.70 -3.55 3.15 1.13 -0.49 -4.97 117.38 110.57 1qr2 n GLN 77 Ca -0.03 -1.27 -0.20 0.00 -1.94 0.00 0.00 57.00 53.56 1qr2 n GLN 77 Cb 0.14 -1.47 0.07 0.00 0.11 0.00 0.00 30.24 29.08 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 0.46 -6.42 -0.10 -1.09 1.74 0.35 -4.92 116.66 106.68 1qr2 n ARG 78 Ca 0.14 0.78 0.07 0.00 -0.77 0.00 0.00 57.85 58.07 1qr2 n ARG 78 Cb 0.47 -5.69 0.10 0.00 -1.02 0.00 0.00 32.46 26.32 1qr2 n ARG 78 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1qr2 n SER 79 N -3.07 1.98 -4.84 0.55 7.64 0.15 -5.03 113.62 111.00 1qr2 n SER 79 Ca -0.22 -2.73 -0.31 0.00 1.01 0.00 0.00 58.87 56.62 1qr2 n SER 79 Cb 0.64 -0.32 0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1qr2 n SER 79 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qr2 s LEU 80 N -2.17 3.19 0.33 -3.43 1.43 -1.23 0.24 118.68 117.03 1qr2 s LEU 80 Ca 0.22 1.52 -0.29 0.00 -1.03 0.00 0.00 54.13 54.56 1qr2 s LEU 80 Cb 0.19 -4.48 -0.11 0.00 0.03 0.00 0.00 46.19 41.83 1qr2 s LEU 80 CO 0.02 -1.16 1.40 0.00 0.23 0.00 0.00 176.35 176.84 1qr2 s ALA 81 N -3.10 3.56 0.31 4.21 0.00 -0.58 -4.73 121.76 121.42 1qr2 s ALA 81 Ca 0.57 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.96 1qr2 s ALA 81 Cb -0.13 -3.54 0.66 0.00 0.00 0.00 0.00 23.12 20.11 1qr2 s ALA 81 CO 0.54 -0.81 1.84 0.66 0.00 0.00 0.00 175.76 177.99 1qr2 h SER 82 N 3.62 0.83 -0.01 0.00 4.64 -1.94 -0.44 113.55 120.25 1qr2 h SER 82 Ca -0.49 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1qr2 h SER 82 Cb 1.23 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1qr2 h SER 82 CO 0.68 0.42 0.01 -2.24 -0.87 0.00 0.00 176.83 174.82 1qr2 h ASP 83 N 0.88 0.02 0.06 4.97 2.03 -2.00 0.16 116.42 122.54 1qr2 h ASP 83 Ca 0.49 -0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.70 1qr2 h ASP 83 Cb 0.61 -0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.12 1qr2 h ASP 83 CO -0.26 0.01 -0.40 0.40 -1.03 0.00 0.00 179.24 177.96 1qr2 h ILE 84 N 0.02 1.64 0.00 4.15 2.04 -1.47 -3.20 117.51 120.68 1qr2 h ILE 84 Ca 0.00 -2.38 -0.03 0.00 1.00 0.00 0.00 64.86 63.45 1qr2 h ILE 84 Cb 0.00 3.22 -0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1qr2 h ILE 84 CO -0.00 0.65 -0.15 0.71 0.00 0.00 0.00 178.15 179.36 1qr2 h THR 85 N -0.64 1.05 -0.02 -0.27 1.35 -0.76 -1.41 112.91 112.21 1qr2 h THR 85 Ca -0.07 -0.53 -0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1qr2 h THR 85 Cb 1.29 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1qr2 h THR 85 CO 0.08 0.15 0.00 0.44 -0.25 0.00 0.00 175.52 175.94 1qr2 h ASP 86 N 0.00 0.03 -0.45 5.36 3.32 -0.78 -1.21 116.42 122.68 1qr2 h ASP 86 Ca -0.00 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1qr2 h ASP 86 Cb 0.28 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1qr2 h ASP 86 CO 0.02 0.28 0.18 -0.33 -1.72 0.00 0.00 179.24 177.66 1qr2 h GLU 87 N -0.22 0.74 -0.25 3.56 4.39 -1.45 -2.01 114.58 119.34 1qr2 h GLU 87 Ca 0.01 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 1qr2 h GLU 87 Cb 0.26 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1qr2 h GLU 87 CO 0.00 0.63 -0.24 1.96 -1.16 0.00 0.00 179.01 180.20 1qr2 h GLN 88 N 0.73 0.47 -0.28 2.33 4.20 -1.01 -0.96 115.11 120.59 1qr2 h GLN 88 Ca 0.17 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1qr2 h GLN 88 Cb 0.18 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1qr2 h GLN 88 CO -0.01 0.68 0.09 -0.22 -0.67 0.00 0.00 178.83 178.69 1qr2 h LYS 89 N 0.42 0.43 -0.64 1.46 3.64 -0.51 0.28 116.57 121.64 1qr2 h LYS 89 Ca 0.06 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1qr2 h LYS 89 Cb 0.65 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1qr2 h LYS 89 CO 0.05 0.49 0.34 0.87 -2.27 0.00 0.00 179.45 178.93 1qr2 h LYS 90 N 0.29 0.91 -0.06 1.90 1.57 -1.20 -1.47 116.57 118.52 1qr2 h LYS 90 Ca 0.09 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1qr2 h LYS 90 Cb 0.24 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1qr2 h LYS 90 CO -0.00 0.70 0.01 0.28 -0.57 0.00 0.00 179.45 179.86 1qr2 h VAL 91 N 0.88 1.23 -0.99 0.50 2.07 -0.91 -0.67 116.25 118.36 1qr2 h VAL 91 Ca 0.22 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.14 1qr2 h VAL 91 Cb 0.06 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1qr2 h VAL 91 CO -0.03 0.19 0.63 -0.09 0.02 0.00 0.00 177.57 178.29 1qr2 h ARG 92 N -0.16 1.06 0.00 1.57 2.43 -0.32 -2.19 114.38 116.77 1qr2 h ARG 92 Ca 0.02 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1qr2 h ARG 92 Cb 0.30 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1qr2 h ARG 92 CO 0.00 0.70 -0.40 0.93 -1.51 0.00 0.00 179.97 179.69 1qr2 h GLU 93 N 1.09 0.00 -7.06 0.20 5.08 -1.13 -3.47 114.58 109.29 1qr2 h GLU 93 Ca 0.46 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.34 1qr2 h GLU 93 Cb 0.30 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.58 1qr2 h GLU 93 CO -0.21 0.40 0.40 0.00 -1.00 0.00 0.00 179.01 178.60 1qr2 s ALA 94 N -3.07 2.86 -0.20 3.43 0.00 -0.27 -4.75 121.76 119.77 1qr2 s ALA 94 Ca 0.04 0.67 0.11 0.00 0.00 0.00 0.00 51.96 52.78 1qr2 s ALA 94 Cb 0.07 -3.28 -0.22 0.00 0.00 0.00 0.00 23.12 19.69 1qr2 s ALA 94 CO 0.72 -0.40 0.05 -0.25 0.00 0.00 0.00 175.76 175.89 1qr2 n ASP 95 N -0.92 0.79 -4.00 0.00 8.00 0.49 -4.89 116.55 116.03 1qr2 n ASP 95 Ca 0.09 0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.38 1qr2 n ASP 95 Cb 0.52 0.38 -0.16 0.00 -0.02 0.00 0.00 41.12 41.84 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 -5.94 1.69 -0.21 0.64 2.96 -0.94 -0.57 118.68 116.32 1qr2 s LEU 96 Ca -0.18 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1qr2 s LEU 96 Cb 0.07 -0.65 0.04 0.00 0.50 0.00 0.00 46.19 46.15 1qr2 s LEU 96 CO 0.76 0.05 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.98 1qr2 s VAL 97 N 0.42 2.10 -0.17 1.68 1.01 -0.15 -1.17 120.40 124.12 1qr2 s VAL 97 Ca -0.08 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 1qr2 s VAL 97 Cb -0.12 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1qr2 s VAL 97 CO 0.01 0.29 0.05 -0.63 0.00 0.00 0.00 175.10 174.82 1qr2 s ILE 98 N 1.21 4.66 -0.27 2.22 1.01 0.26 -1.69 121.20 128.60 1qr2 s ILE 98 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 1qr2 s ILE 98 Cb -0.16 -3.08 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 1qr2 s ILE 98 CO -0.10 0.48 0.05 -0.36 0.00 0.00 0.00 174.94 175.01 1qr2 s PHE 99 N 0.25 3.10 -0.23 3.97 0.08 -0.35 0.03 117.98 124.83 1qr2 s PHE 99 Ca 0.03 -0.89 -0.05 0.00 0.12 0.00 0.00 56.93 56.14 1qr2 s PHE 99 Cb -0.12 -2.21 -0.01 0.00 -0.57 0.00 0.00 43.02 40.10 1qr2 s PHE 99 CO 0.01 -0.54 -0.00 -1.14 -0.10 0.00 0.00 175.22 173.45 1qr2 s GLN 100 N 1.51 3.46 -0.08 0.44 2.00 -0.37 0.06 119.66 126.69 1qr2 s GLN 100 Ca 0.04 -0.58 -0.30 0.00 -2.00 0.00 0.00 55.36 52.52 1qr2 s GLN 100 Cb -0.16 -3.12 0.09 0.00 0.80 0.00 0.00 33.01 30.62 1qr2 s GLN 100 CO 0.01 -0.20 0.81 -0.59 -0.50 0.00 0.00 175.29 174.82 1qr2 s PHE 101 N 1.52 -0.52 0.46 1.67 -0.12 -0.49 -1.50 117.98 119.00 1qr2 s PHE 101 Ca 0.06 0.84 -0.17 0.00 -0.05 0.00 0.00 56.93 57.61 1qr2 s PHE 101 Cb -0.15 0.44 -0.09 0.00 -0.63 0.00 0.00 43.02 42.60 1qr2 s PHE 101 CO -0.01 -0.52 0.93 -1.25 -0.05 0.00 0.00 175.22 174.33 1qr2 s PRO 102 N -1.43 4.02 -0.19 1.99 0.04 -1.26 -1.98 135.00 136.18 1qr2 s PRO 102 Ca -0.06 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 1qr2 s PRO 102 Cb -0.00 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1qr2 s PRO 102 CO 0.04 -0.14 1.13 -1.17 0.04 0.00 0.00 177.00 176.90 1qr2 s LEU 103 N -3.69 4.15 -0.30 -3.56 2.96 0.10 -4.42 118.68 113.91 1qr2 s LEU 103 Ca 0.59 1.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1qr2 s LEU 103 Cb -0.10 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.12 1qr2 s LEU 103 CO 0.25 -0.69 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.26 1qr2 s TYR 104 N 3.20 3.35 -1.13 5.38 1.51 -0.22 -4.78 117.35 124.66 1qr2 s TYR 104 Ca 0.49 -2.20 -0.17 0.00 -1.01 0.00 0.00 57.07 54.18 1qr2 s TYR 104 Cb -0.18 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1qr2 s TYR 104 CO 0.11 -0.86 0.81 0.91 -1.11 0.00 0.00 175.55 175.41 1qr2 n TRP 105 N 4.51 -2.02 -2.05 2.71 5.03 -1.26 -1.63 117.44 122.73 1qr2 n TRP 105 Ca -0.11 0.55 -0.12 0.00 3.03 0.00 0.00 57.50 60.86 1qr2 n TRP 105 Cb 0.43 -3.62 -0.02 0.00 -1.03 0.00 0.00 31.31 27.06 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 -4.00 -1.07 -2.68 -5.99 3.01 -1.26 -4.85 117.46 100.62 1qr2 n PHE 106 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1qr2 n PHE 106 Cb 0.60 -2.61 0.00 0.00 -0.01 0.00 0.00 39.48 37.46 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 -1.28 0.00 -4.91 4.37 2.88 -0.65 -4.81 113.62 109.22 1qr2 n SER 107 Ca -0.13 -0.41 -0.29 0.00 -1.33 0.00 0.00 58.87 56.70 1qr2 n SER 107 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.57 5.13 0.55 2.46 -7.23 -1.26 -1.05 120.40 116.43 1qr2 s VAL 108 Ca 0.00 -0.08 -0.21 0.00 -1.81 0.00 0.00 61.98 59.88 1qr2 s VAL 108 Cb 0.00 -3.69 -0.06 0.00 0.56 0.00 0.00 36.38 33.19 1qr2 s VAL 108 CO 0.00 -0.15 1.12 -2.65 -0.31 0.00 0.00 175.10 173.11 1qr2 n PRO 109 N -0.49 1.25 -0.32 4.82 -0.02 -1.26 -4.63 135.00 134.35 1qr2 n PRO 109 Ca -0.03 0.47 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 1qr2 n PRO 109 Cb 0.53 -2.30 0.39 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.99 1.86 -0.90 3.55 0.00 -1.96 0.44 119.26 123.24 1qr2 h ALA 110 Ca -0.49 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1qr2 h ALA 110 Cb 1.34 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1qr2 h ALA 110 CO 0.54 -0.22 0.59 0.97 0.00 0.00 0.00 179.25 181.14 1qr2 h ILE 111 N 0.64 1.21 -0.13 0.00 2.10 -1.93 0.19 117.51 119.59 1qr2 h ILE 111 Ca 0.55 -0.41 -0.19 0.00 1.08 0.00 0.00 64.86 65.90 1qr2 h ILE 111 Cb 1.03 -0.09 -0.00 0.00 -1.09 0.00 0.00 36.82 36.67 1qr2 h ILE 111 CO -0.32 0.22 -0.69 0.25 -1.08 0.00 0.00 178.15 176.53 1qr2 h LEU 112 N 1.20 0.65 -0.92 2.19 5.85 -1.31 -2.18 115.31 120.80 1qr2 h LEU 112 Ca 0.34 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1qr2 h LEU 112 Cb -0.11 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1qr2 h LEU 112 CO -0.08 1.15 0.35 0.50 -0.34 0.00 0.00 178.44 180.02 1qr2 h LYS 113 N 0.40 1.13 -0.72 1.25 1.63 -0.71 -1.19 116.57 118.37 1qr2 h LYS 113 Ca -0.02 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1qr2 h LYS 113 Cb 1.27 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.66 1qr2 h LYS 113 CO 0.13 0.89 0.39 0.78 -3.45 0.00 0.00 179.45 178.18 1qr2 h GLY 114 N 1.15 1.07 0.95 5.01 0.00 -0.34 0.27 103.07 111.18 1qr2 h GLY 114 Ca 0.27 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1qr2 h GLY 114 CO -0.03 0.46 -0.05 -0.25 0.00 0.00 0.00 176.54 176.67 1qr2 h TRP 115 N 1.01 -0.13 -0.88 5.60 7.01 -0.67 -0.73 115.95 127.16 1qr2 h TRP 115 Ca 0.25 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.24 1qr2 h TRP 115 Cb 0.04 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.10 1qr2 h TRP 115 CO 0.01 -0.04 0.50 0.52 -2.79 0.00 0.00 178.44 176.64 1qr2 h MET 116 N -0.19 1.21 -0.15 2.65 2.86 -0.34 0.22 114.93 121.19 1qr2 h MET 116 Ca -0.01 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1qr2 h MET 116 Cb 0.15 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1qr2 h MET 116 CO 0.02 0.87 0.05 -0.44 1.06 0.00 0.00 176.91 178.47 1qr2 h ASP 117 N 1.22 0.22 0.20 1.22 3.32 -0.26 -2.92 116.42 119.43 1qr2 h ASP 117 Ca 0.31 -0.21 -0.35 0.00 0.02 0.00 0.00 57.03 56.80 1qr2 h ASP 117 Cb -0.01 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.50 1qr2 h ASP 117 CO -0.05 0.37 -1.73 0.03 -1.72 0.00 0.00 179.24 176.13 1qr2 h ARG 118 N 0.06 0.41 -0.05 3.56 3.08 -1.02 -3.41 114.38 117.01 1qr2 h ARG 118 Ca 0.05 -0.70 -0.04 0.00 0.07 0.00 0.00 59.98 59.36 1qr2 h ARG 118 Cb 0.23 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1qr2 h ARG 118 CO -0.00 1.33 -0.14 0.28 -1.07 0.00 0.00 179.97 180.36 1qr2 h VAL 119 N 0.11 1.44 -0.05 2.04 2.07 -0.68 -3.33 116.25 117.86 1qr2 h VAL 119 Ca -0.34 -1.53 -0.33 0.00 0.82 0.00 0.00 66.70 65.33 1qr2 h VAL 119 Cb 2.11 2.32 -0.05 0.00 -1.52 0.00 0.00 31.29 34.15 1qr2 h VAL 119 CO 0.19 0.42 0.72 0.18 0.02 0.00 0.00 177.57 179.10 1qr2 n LEU 120 N -4.62 6.19 -4.74 2.57 4.77 -1.10 -4.81 117.00 115.27 1qr2 n LEU 120 Ca -0.08 -3.52 -0.30 0.00 -0.03 0.00 0.00 56.01 52.08 1qr2 n LEU 120 Cb 0.39 -1.45 0.13 0.00 -2.33 0.00 0.00 43.42 40.16 1qr2 n LEU 120 CO 0.38 1.80 0.68 0.00 -1.33 0.00 0.00 177.39 178.91 1qr2 s GLN 122 N -4.99 4.52 0.00 0.00 0.74 -1.26 -1.24 119.66 117.44 1qr2 s GLN 122 Ca 0.63 1.97 0.00 0.00 0.05 0.00 0.00 55.36 58.01 1qr2 s GLN 122 Cb -0.17 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.80 1qr2 s GLN 122 CO 0.56 0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.76 1qr2 n GLY 123 N 1.04 3.11 0.42 2.59 0.00 0.14 -4.19 105.19 108.30 1qr2 n GLY 123 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.72 0.00 0.01 1.61 7.35 -1.01 -4.81 117.46 119.89 1qr2 n PHE 124 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 1qr2 n PHE 124 Cb 0.00 -0.29 -0.11 0.00 0.35 0.00 0.00 39.48 39.43 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 -0.72 0.67 -2.94 3.13 0.00 -1.41 -3.41 119.26 114.58 1qr2 h ALA 125 Ca 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 54.91 53.82 1qr2 h ALA 125 Cb 0.58 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1qr2 h ALA 125 CO 0.00 1.32 0.25 -0.59 0.00 0.00 0.00 179.25 180.23 1qr2 s PHE 126 N -2.72 -0.17 0.03 0.00 -0.71 -1.25 -1.96 117.98 111.20 1qr2 s PHE 126 Ca -0.03 -0.28 -0.27 0.00 -1.04 0.00 0.00 56.93 55.31 1qr2 s PHE 126 Cb 0.08 0.71 0.09 0.00 -1.21 0.00 0.00 43.02 42.70 1qr2 s PHE 126 CO 0.82 -1.21 0.82 0.34 -1.34 0.00 0.00 175.22 174.65 1qr2 s ASP 127 N -2.93 -0.41 0.26 1.98 -1.08 -0.58 0.26 116.67 114.17 1qr2 s ASP 127 Ca 0.11 -0.00 -0.10 0.00 -0.52 0.00 0.00 52.55 52.04 1qr2 s ASP 127 Cb -0.06 0.43 0.40 0.00 -1.46 0.00 0.00 42.92 42.24 1qr2 s ASP 127 CO 0.07 -0.70 1.57 -0.29 0.52 0.00 0.00 175.17 176.33 1qr2 h ILE 128 N 2.00 0.05 -0.46 4.11 6.09 -2.02 0.12 117.51 127.40 1qr2 h ILE 128 Ca -0.25 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.16 1qr2 h ILE 128 Cb 1.26 0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.58 1qr2 h ILE 128 CO 0.32 0.00 -0.03 -0.65 -3.07 0.00 0.00 178.15 174.72 1qr2 h PRO 129 N -0.00 0.84 -4.88 2.19 0.11 -1.97 -3.42 132.00 124.86 1qr2 h PRO 129 Ca 0.44 -0.28 -0.67 0.00 0.11 0.00 0.00 66.00 65.59 1qr2 h PRO 129 Cb 0.68 -0.07 -0.31 0.00 0.11 0.00 0.00 31.00 31.41 1qr2 h PRO 129 CO -0.97 0.90 -0.72 0.20 -0.21 0.00 0.00 178.00 177.20 1qr2 s GLY 130 N -3.44 1.66 0.23 -0.55 0.00 0.41 -4.96 107.32 100.67 1qr2 s GLY 130 Ca -0.12 -1.47 -0.16 0.00 0.00 0.00 0.00 44.72 42.96 1qr2 s GLY 130 CO 0.82 0.55 0.54 -0.11 0.00 0.00 0.00 173.10 174.91 1qr2 s PHE 131 N 1.36 0.04 0.00 1.90 -0.12 -1.13 -1.53 117.98 118.49 1qr2 s PHE 131 Ca 0.00 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.47 1qr2 s PHE 131 Cb -0.17 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.60 1qr2 s PHE 131 CO -0.03 -1.01 0.00 0.66 -0.05 0.00 0.00 175.22 174.79 1qr2 n TYR 132 N -0.38 0.00 0.24 3.49 4.01 0.15 -0.48 117.16 124.19 1qr2 n TYR 132 Ca -0.06 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.86 1qr2 n TYR 132 Cb 0.62 0.00 0.88 0.00 -0.31 0.00 0.00 39.34 40.52 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 -0.69 7.72 5.19 -1.88 0.15 116.42 126.90 1qr2 h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1qr2 h ASP 133 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1qr2 h ASP 133 CO 0.00 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 174.92 1qr2 n SER 134 N -3.61 4.32 -4.61 6.45 7.64 0.36 -4.90 113.62 119.27 1qr2 n SER 134 Ca 0.01 -2.22 -0.38 0.00 1.01 0.00 0.00 58.87 57.29 1qr2 n SER 134 Cb 0.30 -0.53 0.05 0.00 -1.01 0.00 0.00 64.21 63.01 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 1.41 -0.37 0.19 0.23 0.00 0.50 -2.85 105.19 104.28 1qr2 n GLY 135 Ca 0.25 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.28 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 0.52 0.00 -3.54 0.99 3.38 -1.23 -1.92 115.31 113.51 1qr2 h LEU 136 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1qr2 h LEU 136 Cb 1.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1qr2 h LEU 136 CO 0.51 0.00 0.08 0.18 0.09 0.00 0.00 178.44 179.30 1qr2 n LEU 137 N -2.45 5.34 -4.71 1.67 4.77 0.65 -4.96 117.00 117.32 1qr2 n LEU 137 Ca -0.00 -3.08 -0.42 0.00 -0.03 0.00 0.00 56.01 52.47 1qr2 n LEU 137 Cb 0.15 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1qr2 n LEU 137 CO 0.17 0.72 1.36 0.00 -1.33 0.00 0.00 177.39 178.31 1qr2 s GLN 138 N -2.88 4.16 0.00 3.23 -2.07 -0.72 -2.67 119.66 118.71 1qr2 s GLN 138 Ca 0.51 2.51 0.00 0.00 -1.82 0.00 0.00 55.36 56.57 1qr2 s GLN 138 Cb 0.41 -3.31 0.00 0.00 -1.09 0.00 0.00 33.01 29.02 1qr2 s GLN 138 CO 0.13 -0.74 0.00 0.41 -1.32 0.00 0.00 175.29 173.77 1qr2 n GLY 139 N 4.00 0.89 3.87 2.60 0.00 -1.24 -5.00 105.19 110.31 1qr2 n GLY 139 Ca 0.16 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.05 0.09 1.61 1.02 -1.09 -4.88 119.74 119.55 1qr2 s LYS 140 Ca 0.00 0.58 0.06 0.00 0.02 0.00 0.00 55.97 56.63 1qr2 s LYS 140 Cb 0.00 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1qr2 s LYS 140 CO 0.00 -0.92 -0.06 -0.51 -0.92 0.00 0.00 175.35 172.94 1qr2 s LEU 141 N -5.34 3.22 0.02 3.17 1.43 0.27 -0.87 118.68 120.59 1qr2 s LEU 141 Ca 0.57 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1qr2 s LEU 141 Cb -0.11 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1qr2 s LEU 141 CO 0.53 0.18 -0.09 0.00 0.23 0.00 0.00 176.35 177.20 1qr2 s ALA 142 N -1.24 0.75 -0.08 4.21 0.00 0.73 -0.98 121.76 125.14 1qr2 s ALA 142 Ca 0.23 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 1qr2 s ALA 142 Cb -0.11 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1qr2 s ALA 142 CO 0.15 0.13 0.20 -1.17 0.00 0.00 0.00 175.76 175.07 1qr2 s LEU 143 N -0.78 0.91 -0.34 0.00 0.20 -0.68 -0.74 118.68 117.25 1qr2 s LEU 143 Ca -0.01 0.42 -0.09 0.00 0.69 0.00 0.00 54.13 55.14 1qr2 s LEU 143 Cb -0.06 0.64 0.02 0.00 -0.43 0.00 0.00 46.19 46.36 1qr2 s LEU 143 CO 0.00 -0.11 0.16 -0.76 -0.29 0.00 0.00 176.35 175.35 1qr2 s LEU 144 N 0.62 4.40 -0.49 -0.68 1.43 -1.26 -1.22 118.68 121.49 1qr2 s LEU 144 Ca -0.04 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 1qr2 s LEU 144 Cb -0.06 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.30 1qr2 s LEU 144 CO -0.03 -0.31 0.39 -0.55 0.23 0.00 0.00 176.35 176.08 1qr2 s SER 145 N 1.53 5.89 0.07 2.29 0.15 0.11 -1.14 113.70 122.60 1qr2 s SER 145 Ca 0.02 -1.79 0.08 0.00 0.70 0.00 0.00 55.95 54.96 1qr2 s SER 145 Cb -0.18 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1qr2 s SER 145 CO 0.05 -0.73 -0.17 0.54 1.20 0.00 0.00 173.24 174.13 1qr2 s VAL 146 N 1.46 2.87 -0.01 4.45 0.11 -0.31 -1.40 120.40 127.58 1qr2 s VAL 146 Ca 0.04 -1.28 0.03 0.00 -2.93 0.00 0.00 61.98 57.85 1qr2 s VAL 146 Cb -0.27 -2.25 -0.03 0.00 -1.53 0.00 0.00 36.38 32.30 1qr2 s VAL 146 CO 0.01 0.25 -0.09 0.42 -3.33 0.00 0.00 175.10 172.36 1qr2 s THR 147 N -1.01 3.46 0.17 5.04 -4.23 -0.84 -1.44 115.64 116.79 1qr2 s THR 147 Ca 0.16 -0.77 0.10 0.00 -1.18 0.00 0.00 61.69 60.01 1qr2 s THR 147 Cb -0.11 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1qr2 s THR 147 CO 0.07 0.45 -0.21 0.42 -0.54 0.00 0.00 174.62 174.82 1qr2 s THR 148 N -0.92 2.59 0.01 3.99 -4.23 -1.10 0.02 115.64 116.01 1qr2 s THR 148 Ca 0.15 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 58.76 1qr2 s THR 148 Cb -0.11 -2.23 -0.29 0.00 1.34 0.00 0.00 72.50 71.21 1qr2 s THR 148 CO 0.05 -0.05 0.90 1.23 -0.54 0.00 0.00 174.62 176.21 1qr2 h GLY 149 N 3.32 0.37 -1.73 3.99 0.00 -1.91 -1.35 103.07 105.75 1qr2 h GLY 149 Ca -0.48 -0.94 -0.49 0.00 0.00 0.00 0.00 47.33 45.43 1qr2 h GLY 149 CO 0.48 0.82 0.38 -0.32 0.00 0.00 0.00 176.54 177.89 1qr2 s GLY 150 N -4.88 2.13 0.67 4.60 0.00 -1.26 -4.38 107.32 104.21 1qr2 s GLY 150 Ca -0.09 0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.91 1qr2 s GLY 150 CO 0.87 0.71 1.07 -0.51 0.00 0.00 0.00 173.10 175.23 1qr2 s THR 151 N -2.45 3.84 0.26 0.90 -4.23 -1.26 -2.81 115.64 109.89 1qr2 s THR 151 Ca 0.63 0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 61.69 1qr2 s THR 151 Cb -0.16 -3.59 0.24 0.00 1.34 0.00 0.00 72.50 70.34 1qr2 s THR 151 CO 0.36 -0.76 1.80 0.00 -0.54 0.00 0.00 174.62 175.48 1qr2 h ALA 152 N -0.53 1.32 -0.31 3.99 0.00 -1.96 -1.58 119.26 120.19 1qr2 h ALA 152 Ca -0.45 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1qr2 h ALA 152 Cb 1.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1qr2 h ALA 152 CO 0.63 0.06 -0.07 1.49 0.00 0.00 0.00 179.25 181.35 1qr2 h GLU 153 N 0.78 0.50 -0.00 0.00 4.57 -1.99 -2.06 114.58 116.37 1qr2 h GLU 153 Ca 0.45 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1qr2 h GLU 153 Cb 0.52 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1qr2 h GLU 153 CO -0.30 0.58 -0.21 0.52 -1.18 0.00 0.00 179.01 178.43 1qr2 h MET 154 N 0.47 0.01 -1.31 1.92 2.86 -1.67 -2.77 114.93 114.44 1qr2 h MET 154 Ca 0.09 -0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.31 1qr2 h MET 154 Cb 0.42 -0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.89 1qr2 h MET 154 CO 0.02 0.21 0.55 0.66 1.06 0.00 0.00 176.91 179.41 1qr2 n TYR 155 N -4.29 2.07 -4.01 -0.22 4.01 -0.78 -2.08 117.16 111.87 1qr2 n TYR 155 Ca -0.02 -2.18 -0.22 0.00 -0.16 0.00 0.00 57.90 55.31 1qr2 n TYR 155 Cb 0.27 -1.06 -0.05 0.00 -0.31 0.00 0.00 39.34 38.19 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 -2.97 3.77 0.44 -0.72 -4.23 -1.05 -2.41 115.64 108.46 1qr2 s THR 156 Ca 0.41 -1.48 0.18 0.00 -1.18 0.00 0.00 61.69 59.61 1qr2 s THR 156 Cb 0.33 -3.20 0.37 0.00 1.34 0.00 0.00 72.50 71.34 1qr2 s THR 156 CO 0.00 -0.26 1.91 0.11 -0.54 0.00 0.00 174.62 175.85 1qr2 h LYS 157 N 1.44 0.35 -0.41 3.99 1.57 -1.90 0.21 116.57 121.82 1qr2 h LYS 157 Ca -0.46 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 1qr2 h LYS 157 Cb 1.25 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1qr2 h LYS 157 CO 0.60 0.23 0.05 0.25 -0.57 0.00 0.00 179.45 180.02 1qr2 n THR 158 N -4.47 2.53 -2.87 -0.16 -2.24 -1.26 -4.52 114.28 101.29 1qr2 n THR 158 Ca 0.15 -1.99 -0.23 0.00 -2.27 0.00 0.00 64.05 59.71 1qr2 n THR 158 Cb 0.60 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.81 1.63 0.22 3.38 0.00 0.71 -4.98 107.32 106.47 1qr2 s GLY 159 Ca 0.46 -1.09 -0.08 0.00 0.00 0.00 0.00 44.72 44.01 1qr2 s GLY 159 CO 0.08 -0.89 1.83 -0.39 0.00 0.00 0.00 173.10 173.73 1qr2 h VAL 160 N 0.29 1.00 0.00 1.40 -1.51 -1.82 -2.13 116.25 113.48 1qr2 h VAL 160 Ca -0.45 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1qr2 h VAL 160 Cb 1.26 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1qr2 h VAL 160 CO 0.56 0.15 -0.30 0.59 -1.23 0.00 0.00 177.57 177.35 1qr2 n ASN 161 N -4.72 0.67 0.00 4.19 3.02 -0.88 -5.06 115.26 112.48 1qr2 n ASN 161 Ca 0.10 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1qr2 n ASN 161 Cb 0.17 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1qr2 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qr2 n GLY 162 N 1.35 -1.34 3.77 7.41 0.00 -0.80 -4.88 105.19 110.69 1qr2 n GLY 162 Ca 0.05 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1qr2 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qr2 s ASP 163 N -3.26 6.45 0.56 1.61 2.15 -0.98 -3.09 116.67 120.11 1qr2 s ASP 163 Ca 0.00 2.93 0.26 0.00 0.43 0.00 0.00 52.55 56.16 1qr2 s ASP 163 Cb 0.00 -2.65 1.55 0.00 -0.30 0.00 0.00 42.92 41.52 1qr2 s ASP 163 CO 0.00 -0.82 2.11 0.77 -0.17 0.00 0.00 175.17 177.06 1qr2 h SER 164 N 3.84 0.00 0.65 -0.34 4.64 -1.80 -0.73 113.55 119.80 1qr2 h SER 164 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1qr2 h SER 164 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1qr2 h SER 164 CO 0.70 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.69 1qr2 h ARG 165 N 0.00 0.00 -0.18 4.77 3.08 -1.89 -3.01 114.38 117.15 1qr2 h ARG 165 Ca 0.09 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1qr2 h ARG 165 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1qr2 h ARG 165 CO -0.00 0.00 -0.15 1.88 -1.07 0.00 0.00 179.97 180.63 1qr2 h TYR 166 N 0.00 0.50 0.00 3.04 0.05 -1.32 -3.12 116.97 116.12 1qr2 h TYR 166 Ca 0.00 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.60 1qr2 h TYR 166 Cb 0.32 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1qr2 h TYR 166 CO 0.00 0.77 -0.20 0.27 -1.05 0.00 0.00 178.16 177.95 1qr2 h PHE 167 N 0.09 0.00 0.00 4.88 -5.15 -1.68 -3.10 116.94 111.98 1qr2 h PHE 167 Ca 0.03 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.76 1qr2 h PHE 167 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.83 1qr2 h PHE 167 CO 0.08 0.20 -0.20 -0.07 -2.00 0.00 0.00 178.31 176.31 1qr2 h LEU 168 N 0.00 0.00 -0.38 2.10 3.38 -1.48 -3.32 115.31 115.61 1qr2 h LEU 168 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1qr2 h LEU 168 Cb 0.89 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.55 1qr2 h LEU 168 CO 0.03 0.20 -0.36 -0.25 0.09 0.00 0.00 178.44 178.14 1qr2 h TRP 169 N 0.00 -1.03 0.00 1.13 2.91 -1.50 0.15 115.95 117.61 1qr2 h TRP 169 Ca -0.00 0.06 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 1qr2 h TRP 169 Cb 0.51 0.51 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 1qr2 h TRP 169 CO 0.00 -0.41 -0.23 -1.35 -1.03 0.00 0.00 178.44 175.43 1qr2 h PRO 170 N -0.29 0.00 0.08 2.65 0.11 -1.81 -0.80 132.00 131.93 1qr2 h PRO 170 Ca 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1qr2 h PRO 170 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1qr2 h PRO 170 CO -0.54 0.23 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.37 1qr2 h LEU 171 N 0.00 -0.09 0.14 2.35 3.38 -1.50 -1.73 115.31 117.86 1qr2 h LEU 171 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qr2 h LEU 171 Cb 0.41 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1qr2 h LEU 171 CO 0.03 0.11 -0.07 1.56 0.09 0.00 0.00 178.44 180.17 1qr2 h GLN 172 N -0.46 -0.18 0.00 1.13 4.20 -0.83 -0.79 115.11 118.18 1qr2 h GLN 172 Ca -0.01 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1qr2 h GLN 172 Cb 0.08 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1qr2 h GLN 172 CO 0.02 0.04 -0.45 1.25 -0.67 0.00 0.00 178.83 179.02 1qr2 h HIS 173 N -0.38 0.00 -0.42 2.96 2.76 -1.35 0.31 115.15 119.03 1qr2 h HIS 173 Ca -0.02 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1qr2 h HIS 173 Cb 0.31 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 1qr2 h HIS 173 CO -0.01 0.65 0.13 0.78 -1.30 0.00 0.00 177.93 178.18 1qr2 h GLY 174 N -1.00 0.65 0.00 5.26 0.00 -1.20 -2.85 103.07 103.92 1qr2 h GLY 174 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1qr2 h GLY 174 CO -0.06 0.31 -0.19 2.41 0.00 0.00 0.00 176.54 179.02 1qr2 n THR 175 N -4.35 0.33 0.22 4.70 -1.04 -0.66 -4.50 114.28 108.99 1qr2 n THR 175 Ca 0.03 0.35 -0.10 0.00 -2.04 0.00 0.00 64.05 62.29 1qr2 n THR 175 Cb 0.17 -1.59 -0.05 0.00 -1.82 0.00 0.00 70.33 67.05 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 -0.19 -0.65 -1.71 -4.42 3.38 -1.10 -2.04 115.31 108.59 1qr2 h LEU 176 Ca 0.00 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1qr2 h LEU 176 Cb 0.19 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1qr2 h LEU 176 CO 0.00 -0.39 0.38 -0.74 0.09 0.00 0.00 178.44 177.78 1qr2 h HIS 177 N -0.62 0.35 -0.33 1.13 2.76 -0.48 -0.15 115.15 117.82 1qr2 h HIS 177 Ca -0.05 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 1qr2 h HIS 177 Cb 0.50 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1qr2 h HIS 177 CO -0.01 0.17 -0.02 0.35 -1.30 0.00 0.00 177.93 177.12 1qr2 h PHE 178 N 0.33 0.54 -0.03 5.26 3.57 -1.25 -2.21 116.94 123.15 1qr2 h PHE 178 Ca 0.26 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1qr2 h PHE 178 Cb 0.58 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1qr2 h PHE 178 CO -0.00 0.55 0.00 0.00 -2.23 0.00 0.00 178.31 176.62 1qr2 n GLY 180 N 1.02 0.26 3.75 0.00 0.00 -0.83 -0.25 105.19 109.14 1qr2 n GLY 180 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1qr2 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qr2 s PHE 181 N -2.00 2.38 -0.20 1.61 0.08 -0.93 -3.30 117.98 115.62 1qr2 s PHE 181 Ca 0.00 1.41 -0.15 0.00 0.12 0.00 0.00 56.93 58.32 1qr2 s PHE 181 Cb 0.00 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.70 1qr2 s PHE 181 CO 0.00 -2.64 0.34 0.15 -0.10 0.00 0.00 175.22 172.97 1qr2 s LYS 182 N -2.92 4.17 -0.22 0.44 3.01 -0.05 -4.29 119.74 119.88 1qr2 s LYS 182 Ca 0.71 0.11 -0.13 0.00 -1.01 0.00 0.00 55.97 55.65 1qr2 s LYS 182 Cb -0.38 -3.52 -0.05 0.00 -1.01 0.00 0.00 37.83 32.87 1qr2 s LYS 182 CO 0.44 0.02 0.26 0.08 0.51 0.00 0.00 175.35 176.66 1qr2 s VAL 183 N 1.15 5.29 0.31 3.17 1.01 -1.26 -0.19 120.40 129.87 1qr2 s VAL 183 Ca 0.17 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 1qr2 s VAL 183 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1qr2 s VAL 183 CO 0.07 0.31 0.56 -0.76 0.00 0.00 0.00 175.10 175.28 1qr2 s LEU 184 N 1.12 4.03 0.16 3.92 1.43 0.08 -0.72 118.68 128.70 1qr2 s LEU 184 Ca 0.13 0.66 -0.33 0.00 -1.03 0.00 0.00 54.13 53.55 1qr2 s LEU 184 Cb -0.14 -3.50 -0.16 0.00 0.03 0.00 0.00 46.19 42.43 1qr2 s LEU 184 CO 0.06 -0.23 1.21 0.00 0.23 0.00 0.00 176.35 177.61 1qr2 n ALA 185 N -1.18 -0.73 -1.59 4.21 0.00 -1.26 -4.65 120.51 115.30 1qr2 n ALA 185 Ca -0.02 0.47 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 1qr2 n ALA 185 Cb 0.54 -2.05 0.03 0.00 0.00 0.00 0.00 19.45 17.98 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 -0.20 3.00 -0.27 0.00 0.04 -1.26 -4.71 135.00 131.59 1qr2 s PRO 186 Ca 0.75 1.43 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 1qr2 s PRO 186 Cb -0.86 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 1qr2 s PRO 186 CO 0.51 -1.10 0.09 -1.14 0.04 0.00 0.00 177.00 175.40 1qr2 s GLN 187 N -3.88 3.50 -0.24 4.56 2.00 -0.29 -4.99 119.66 120.31 1qr2 s GLN 187 Ca 0.68 -0.59 0.01 0.00 -2.00 0.00 0.00 55.36 53.46 1qr2 s GLN 187 Cb -0.21 -3.40 0.06 0.00 0.80 0.00 0.00 33.01 30.26 1qr2 s GLN 187 CO 0.37 -0.28 -0.08 0.42 -0.50 0.00 0.00 175.29 175.22 1qr2 s ILE 188 N 1.60 1.74 -0.92 -2.34 1.01 -1.26 -1.16 121.20 119.88 1qr2 s ILE 188 Ca 0.05 -1.34 -0.16 0.00 0.00 0.00 0.00 60.65 59.21 1qr2 s ILE 188 Cb -0.16 -1.94 0.17 0.00 0.01 0.00 0.00 42.46 40.54 1qr2 s ILE 188 CO 0.04 -0.06 1.01 -0.44 0.00 0.00 0.00 174.94 175.49 1qr2 s SER 189 N 1.30 6.74 0.31 3.58 0.01 -0.52 -5.01 113.70 120.11 1qr2 s SER 189 Ca -0.06 -2.42 -0.29 0.00 1.31 0.00 0.00 55.95 54.48 1qr2 s SER 189 Cb -0.19 -2.32 -0.11 0.00 0.21 0.00 0.00 66.02 63.61 1qr2 s SER 189 CO -0.06 -0.82 1.51 -0.36 0.41 0.00 0.00 173.24 173.92 1qr2 s PHE 190 N 1.47 2.79 -0.82 2.43 0.08 -1.26 -2.71 117.98 119.96 1qr2 s PHE 190 Ca 0.28 0.98 -0.22 0.00 0.12 0.00 0.00 56.93 58.08 1qr2 s PHE 190 Cb -0.07 -3.97 0.03 0.00 -0.57 0.00 0.00 43.02 38.44 1qr2 s PHE 190 CO -0.09 -3.10 0.42 0.00 -0.10 0.00 0.00 175.22 172.35 1qr2 n ALA 191 N 1.68 -2.05 -0.25 5.36 0.00 -0.51 -4.87 120.51 119.87 1qr2 n ALA 191 Ca 0.05 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.04 1qr2 n ALA 191 Cb 0.39 -1.63 0.05 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.75 0.97 0.00 0.00 0.13 -1.71 -1.99 132.00 128.65 1qr2 h PRO 192 Ca -0.48 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1qr2 h PRO 192 Cb 0.94 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1qr2 h PRO 192 CO 0.35 0.75 -0.02 0.93 -0.23 0.00 0.00 178.00 179.78 1qr2 h GLU 193 N 0.95 0.00 0.00 0.86 5.08 -1.90 -1.44 114.58 118.13 1qr2 h GLU 193 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1qr2 h GLU 193 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1qr2 h GLU 193 CO -0.03 0.02 -1.56 -0.89 -1.00 0.00 0.00 179.01 175.54 1qr2 n ILE 194 N -3.28 0.31 -1.41 3.13 5.41 -0.95 -4.98 119.36 117.59 1qr2 n ILE 194 Ca -0.02 -0.53 -0.30 0.00 1.00 0.00 0.00 62.75 62.90 1qr2 n ILE 194 Cb 0.14 -0.17 0.11 0.00 -0.71 0.00 0.00 39.64 39.01 1qr2 n ILE 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qr2 s ALA 195 N -3.43 2.00 0.58 -1.39 0.00 -0.54 -5.06 121.76 113.92 1qr2 s ALA 195 Ca -0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 1qr2 s ALA 195 Cb 0.12 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.09 1qr2 s ALA 195 CO 0.86 -1.95 0.90 -1.54 0.00 0.00 0.00 175.76 174.03 1qr2 s SER 196 N -3.71 5.74 0.39 0.00 1.04 -1.26 -4.85 113.70 111.05 1qr2 s SER 196 Ca 0.62 0.83 0.10 0.00 0.48 0.00 0.00 55.95 57.98 1qr2 s SER 196 Cb -0.16 -1.87 0.87 0.00 0.10 0.00 0.00 66.02 64.96 1qr2 s SER 196 CO 0.55 -0.99 1.94 -0.33 0.98 0.00 0.00 173.24 175.40 1qr2 h GLU 197 N -0.15 0.59 -0.02 4.02 4.39 -1.97 0.33 114.58 121.77 1qr2 h GLU 197 Ca -0.46 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 1qr2 h GLU 197 Cb 1.24 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1qr2 h GLU 197 CO 0.61 0.39 0.01 0.93 -1.16 0.00 0.00 179.01 179.79 1qr2 h GLU 198 N 0.61 0.04 -0.78 2.33 3.07 -1.99 -1.53 114.58 116.32 1qr2 h GLU 198 Ca 0.34 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1qr2 h GLU 198 Cb 0.51 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 1qr2 h GLU 198 CO -0.12 0.22 0.42 0.93 -1.40 0.00 0.00 179.01 179.06 1qr2 h GLU 199 N -0.15 1.10 -0.23 2.33 5.08 -1.57 -1.47 114.58 119.67 1qr2 h GLU 199 Ca 0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1qr2 h GLU 199 Cb 0.20 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1qr2 h GLU 199 CO -0.00 0.83 0.12 0.00 -1.00 0.00 0.00 179.01 178.96 1qr2 h ARG 200 N 1.09 0.32 -0.66 2.33 3.08 -0.87 -1.36 114.38 118.30 1qr2 h ARG 200 Ca 0.27 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.34 1qr2 h ARG 200 Cb 0.06 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1qr2 h ARG 200 CO -0.04 0.30 0.38 0.87 -1.07 0.00 0.00 179.97 180.40 1qr2 h LYS 201 N 0.25 0.69 -0.16 0.04 1.79 -1.03 0.28 116.57 118.44 1qr2 h LYS 201 Ca 0.08 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.55 1qr2 h LYS 201 Cb 0.07 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1qr2 h LYS 201 CO -0.01 0.45 0.12 0.78 -1.08 0.00 0.00 179.45 179.71 1qr2 h GLY 202 N 0.71 0.00 0.19 3.86 0.00 -0.80 0.38 103.07 107.41 1qr2 h GLY 202 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1qr2 h GLY 202 CO -0.16 0.00 -0.00 -0.33 0.00 0.00 0.00 176.54 176.04 1qr2 h MET 203 N 0.00 -0.01 -0.11 4.80 2.86 0.60 -1.98 114.93 121.09 1qr2 h MET 203 Ca 0.07 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1qr2 h MET 203 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1qr2 h MET 203 CO -0.00 0.78 -0.18 -0.39 1.06 0.00 0.00 176.91 178.17 1qr2 h VAL 204 N -0.82 1.19 -0.01 -2.22 -1.51 -0.72 -2.82 116.25 109.34 1qr2 h VAL 204 Ca -0.00 -0.87 -0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1qr2 h VAL 204 Cb 0.79 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1qr2 h VAL 204 CO 0.00 0.26 -0.00 0.00 -1.23 0.00 0.00 177.57 176.60 1qr2 h ALA 205 N 1.65 0.01 -0.60 5.19 0.00 -0.92 -2.43 119.26 122.16 1qr2 h ALA 205 Ca 0.03 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1qr2 h ALA 205 Cb 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1qr2 h ALA 205 CO 0.03 -0.27 0.39 0.00 0.00 0.00 0.00 179.25 179.40 1qr2 h ALA 206 N 0.58 1.72 -0.18 0.00 0.00 -1.28 0.15 119.26 120.25 1qr2 h ALA 206 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1qr2 h ALA 206 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1qr2 h ALA 206 CO 0.00 0.21 0.06 2.35 0.00 0.00 0.00 179.25 181.87 1qr2 h TRP 207 N 0.67 0.29 -0.14 0.00 -0.00 -1.38 0.35 115.95 115.74 1qr2 h TRP 207 Ca 0.24 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.07 1qr2 h TRP 207 Cb 0.13 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.20 1qr2 h TRP 207 CO -0.00 0.37 -0.07 0.66 -0.00 0.00 0.00 178.44 179.40 1qr2 h SER 208 N 0.12 0.30 -0.71 2.65 4.64 -0.92 -1.25 113.55 118.38 1qr2 h SER 208 Ca 0.06 -0.42 0.08 0.00 -0.47 0.00 0.00 61.79 61.04 1qr2 h SER 208 Cb 0.21 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 1qr2 h SER 208 CO -0.00 0.65 0.47 1.56 -0.87 0.00 0.00 176.83 178.64 1qr2 h GLN 209 N -0.05 0.65 -0.34 4.77 4.20 -0.67 0.14 115.11 123.81 1qr2 h GLN 209 Ca 0.03 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1qr2 h GLN 209 Cb 0.54 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1qr2 h GLN 209 CO 0.02 0.43 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.37 1qr2 h ARG 210 N 0.67 0.71 -0.17 1.46 2.43 -0.08 -2.75 114.38 116.65 1qr2 h ARG 210 Ca 0.32 -0.30 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1qr2 h ARG 210 Cb 0.37 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1qr2 h ARG 210 CO -0.11 0.90 0.18 -0.07 -1.51 0.00 0.00 179.97 179.37 1qr2 h LEU 211 N 0.49 0.00 -1.64 3.80 3.38 0.24 -1.26 115.31 120.32 1qr2 h LEU 211 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1qr2 h LEU 211 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1qr2 h LEU 211 CO 0.05 0.00 0.26 1.56 0.09 0.00 0.00 178.44 180.40 1qr2 h GLN 212 N 0.00 0.48 -0.08 1.13 4.20 -1.06 -3.00 115.11 116.78 1qr2 h GLN 212 Ca 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1qr2 h GLN 212 Cb 0.45 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1qr2 h GLN 212 CO -0.00 0.32 0.00 0.25 -0.67 0.00 0.00 178.83 178.73 1qr2 n THR 213 N -4.48 1.86 -0.21 -0.54 -2.24 -0.50 -4.76 114.28 103.41 1qr2 n THR 213 Ca 0.03 -1.98 0.12 0.00 -2.27 0.00 0.00 64.05 59.96 1qr2 n THR 213 Cb 0.09 -0.13 0.43 0.00 -2.10 0.00 0.00 70.33 68.62 1qr2 n THR 213 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1qr2 h ILE 214 N 0.55 0.85 0.00 2.28 3.07 -1.34 -0.07 117.51 122.85 1qr2 h ILE 214 Ca 0.00 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.21 1qr2 h ILE 214 Cb 1.05 0.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 1qr2 h ILE 214 CO 0.06 0.11 0.00 0.79 -1.05 0.00 0.00 178.15 178.05 1qr2 n TRP 215 N -4.51 0.64 1.07 0.16 7.02 -1.26 -1.64 117.44 118.92 1qr2 n TRP 215 Ca 0.15 0.23 0.12 0.00 -1.02 0.00 0.00 57.50 56.98 1qr2 n TRP 215 Cb 0.45 -0.87 0.11 0.00 -2.42 0.00 0.00 31.31 28.58 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 -2.06 1.17 -2.18 -0.99 4.01 -0.05 -4.98 118.16 113.07 1qr2 n LYS 216 Ca 0.03 -0.91 -0.37 0.00 -0.51 0.00 0.00 58.31 56.56 1qr2 n LYS 216 Cb 0.27 -1.48 -0.00 0.00 -0.51 0.00 0.00 35.03 33.31 1qr2 n LYS 216 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1qr2 s GLU 217 N -2.46 3.63 -0.11 1.97 2.02 -0.65 -5.04 118.70 118.06 1qr2 s GLU 217 Ca 0.21 1.84 -0.10 0.00 0.02 0.00 0.00 54.97 56.93 1qr2 s GLU 217 Cb 0.19 -2.36 -0.05 0.00 0.10 0.00 0.00 34.13 32.01 1qr2 s GLU 217 CO 0.54 -0.68 0.23 -1.21 0.02 0.00 0.00 175.26 174.16 1qr2 s GLU 218 N -2.76 3.80 0.45 1.61 2.02 -1.26 -5.07 118.70 117.48 1qr2 s GLU 218 Ca 0.65 0.02 -0.22 0.00 0.02 0.00 0.00 54.97 55.44 1qr2 s GLU 218 Cb -0.30 -3.27 -0.08 0.00 0.10 0.00 0.00 34.13 30.58 1qr2 s GLU 218 CO 0.36 0.60 1.09 -2.14 0.02 0.00 0.00 175.26 175.19 1qr2 s PRO 219 N -0.58 3.88 0.68 0.39 0.02 -1.26 -4.65 135.00 133.48 1qr2 s PRO 219 Ca 0.16 1.56 -0.14 0.00 0.02 0.00 0.00 61.00 62.61 1qr2 s PRO 219 Cb -0.13 -2.35 0.01 0.00 0.02 0.00 0.00 34.50 32.05 1qr2 s PRO 219 CO 0.05 -0.40 1.10 0.96 -0.33 0.00 0.00 177.00 178.39 1qr2 s ILE 220 N -1.71 3.28 -0.91 2.83 -4.36 0.10 -4.93 121.20 115.51 1qr2 s ILE 220 Ca 0.63 0.56 -0.23 0.00 -0.26 0.00 0.00 60.65 61.35 1qr2 s ILE 220 Cb -0.23 -3.07 0.07 0.00 1.25 0.00 0.00 42.46 40.48 1qr2 s ILE 220 CO 0.28 -0.41 1.28 -2.16 0.24 0.00 0.00 174.94 174.17 1qr2 s PRO 221 N -4.26 3.47 -0.95 0.37 0.04 -1.26 -4.66 135.00 127.74 1qr2 s PRO 221 Ca 0.66 -1.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.35 1qr2 s PRO 221 Cb -0.20 -4.92 -0.18 0.00 0.04 0.00 0.00 34.50 29.24 1qr2 s PRO 221 CO 0.44 -2.04 1.95 0.00 0.04 0.00 0.00 177.00 177.39 1qr2 s THR 223 N 11.78 1.95 0.24 0.00 -4.23 -1.26 -4.96 115.64 119.16 1qr2 s THR 223 Ca 0.71 -2.21 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1qr2 s THR 223 Cb 0.02 -2.41 0.24 0.00 1.34 0.00 0.00 72.50 71.69 1qr2 s THR 223 CO 0.18 -0.34 1.90 0.00 -0.54 0.00 0.00 174.62 175.83 1qr2 h ALA 224 N 2.25 1.24 -0.84 3.99 0.00 -2.00 -2.05 119.26 121.85 1qr2 h ALA 224 Ca -0.40 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1qr2 h ALA 224 Cb 1.24 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1qr2 h ALA 224 CO 0.66 0.66 0.52 1.25 0.00 0.00 0.00 179.25 182.35 1qr2 h HIS 225 N 1.33 0.96 -0.50 0.00 -0.00 -1.95 0.18 115.15 115.17 1qr2 h HIS 225 Ca 0.35 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.76 1qr2 h HIS 225 Cb -0.10 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 26.97 1qr2 h HIS 225 CO 0.00 0.50 0.33 2.35 -0.00 0.00 0.00 177.93 181.12 1qr2 h TRP 226 N 0.97 0.62 -0.02 5.26 7.01 -1.61 0.13 115.95 128.31 1qr2 h TRP 226 Ca 0.36 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 61.25 1qr2 h TRP 226 Cb 0.13 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1qr2 h TRP 226 CO -0.03 0.39 -0.47 0.45 -2.79 0.00 0.00 178.44 175.99 1qr2 h HIS 227 N 0.67 0.50 0.00 2.65 3.86 -1.13 -3.42 115.15 118.29 1qr2 h HIS 227 Ca 0.18 -0.26 -0.19 0.00 -1.16 0.00 0.00 60.37 58.94 1qr2 h HIS 227 Cb -0.07 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 1qr2 h HIS 227 CO -0.04 1.06 -1.73 1.19 0.86 0.00 0.00 177.93 179.28 1qr2 n PHE 228 N -4.32 0.00 -0.07 2.45 3.72 0.01 -4.36 117.46 114.89 1qr2 n PHE 228 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1qr2 n PHE 228 Cb 0.60 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 2.56 -2.58 0.00 1.37 0.00 0.45 -5.04 105.19 101.95 1qr2 n GLY 229 Ca -0.19 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1qr2 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14