#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qb1 s VAL 8 N 0.00 4.23 -0.74 1.39 1.01 0.86 -3.87 120.40 123.27 1qb1 s VAL 8 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1qb1 s VAL 8 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1qb1 s VAL 8 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1qb1 n GLY 9 N 3.33 0.74 0.00 4.51 0.00 -1.23 -1.45 105.19 111.08 1qb1 n GLY 9 Ca -0.17 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1qb1 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qb1 n GLY 10 N -1.83 1.43 3.11 -0.02 0.00 -1.26 -4.86 105.19 101.77 1qb1 n GLY 10 Ca -0.08 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 1qb1 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qb1 s TYR 11 N 1.40 0.64 -0.05 1.61 -0.85 0.09 -4.95 117.35 115.25 1qb1 s TYR 11 Ca 0.00 -1.03 -0.30 0.00 -0.52 0.00 0.00 57.07 55.23 1qb1 s TYR 11 Cb 0.00 -0.43 -0.05 0.00 0.38 0.00 0.00 41.96 41.86 1qb1 s TYR 11 CO 0.00 -0.31 1.52 0.99 -1.52 0.00 0.00 175.55 176.22 1qb1 s THR 12 N -3.83 3.69 0.17 -3.49 2.01 -1.26 -0.09 115.64 112.83 1qb1 s THR 12 Ca 0.09 0.94 -0.14 0.00 0.31 0.00 0.00 61.69 62.88 1qb1 s THR 12 Cb 0.07 -3.60 0.05 0.00 0.01 0.00 0.00 72.50 69.03 1qb1 s THR 12 CO -0.08 -0.05 1.81 0.00 -0.69 0.00 0.00 174.62 175.61 1qb1 n GLY 14 N -1.15 2.58 3.64 0.00 0.00 -1.26 -4.81 105.19 104.18 1qb1 n GLY 14 Ca 0.02 -1.49 -0.48 0.00 0.00 0.00 0.00 46.02 44.08 1qb1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qb1 n ALA 15 N 1.53 0.65 -2.59 4.61 0.00 -1.26 -2.54 120.51 120.90 1qb1 n ALA 15 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.74 1qb1 n ALA 15 Cb 0.00 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.18 1qb1 n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qb1 n ASN 16 N 3.14 -4.53 0.09 0.00 3.02 -1.26 -4.86 115.26 110.86 1qb1 n ASN 16 Ca 0.17 0.04 0.12 0.00 -0.03 0.00 0.00 54.58 54.88 1qb1 n ASN 16 Cb 0.26 -3.79 0.26 0.00 -0.61 0.00 0.00 39.78 35.90 1qb1 n ASN 16 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1qb1 h THR 17 N -0.24 0.00 -2.75 3.41 1.35 -1.81 -3.37 112.91 109.51 1qb1 h THR 17 Ca -0.38 -0.55 -0.61 0.00 -0.55 0.00 0.00 66.41 64.32 1qb1 h THR 17 Cb 1.27 1.34 -0.41 0.00 -1.73 0.00 0.00 68.15 68.62 1qb1 h THR 17 CO 0.44 0.00 -0.64 0.52 -0.25 0.00 0.00 175.52 175.59 1qb1 n VAL 18 N -2.29 1.43 0.29 6.82 0.31 -1.26 -4.97 118.33 118.66 1qb1 n VAL 18 Ca 0.04 -4.78 0.17 0.00 -0.01 0.00 0.00 64.34 59.77 1qb1 n VAL 18 Cb 0.45 -2.10 0.86 0.00 -0.91 0.00 0.00 33.84 32.13 1qb1 n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qb1 h PRO 19 N 5.05 0.00 -0.02 5.55 0.13 -1.78 -2.49 132.00 138.44 1qb1 h PRO 19 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1qb1 h PRO 19 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1qb1 h PRO 19 CO 0.70 0.00 -0.07 2.48 -0.23 0.00 0.00 178.00 180.88 1qb1 n TYR 20 N -2.76 0.00 -2.37 1.56 0.18 -1.20 -1.96 117.16 110.60 1qb1 n TYR 20 Ca -0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.35 1qb1 n TYR 20 Cb 0.13 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.04 1qb1 n TYR 20 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1qb1 s GLN 21 N -2.10 4.46 0.14 -3.48 2.00 -0.94 -0.98 119.66 118.75 1qb1 s GLN 21 Ca 0.31 1.85 0.09 0.00 -2.00 0.00 0.00 55.36 55.61 1qb1 s GLN 21 Cb 0.20 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.70 1qb1 s GLN 21 CO 0.37 -0.18 -0.20 0.08 -0.50 0.00 0.00 175.29 174.86 1qb1 s VAL 22 N 0.44 1.80 -0.15 1.34 1.01 -0.46 -4.38 120.40 120.00 1qb1 s VAL 22 Ca 0.56 -1.75 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 1qb1 s VAL 22 Cb -0.32 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1qb1 s VAL 22 CO 0.33 -0.19 -0.05 -0.55 0.00 0.00 0.00 175.10 174.65 1qb1 s SER 23 N -2.31 4.72 -0.17 3.32 0.15 -0.38 -2.26 113.70 116.76 1qb1 s SER 23 Ca 0.12 -0.14 -0.16 0.00 0.70 0.00 0.00 55.95 56.47 1qb1 s SER 23 Cb -0.08 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1qb1 s SER 23 CO 0.06 0.18 0.39 -0.76 1.20 0.00 0.00 173.24 174.30 1qb1 s LEU 24 N 0.30 4.20 -0.05 3.45 1.43 0.67 -0.20 118.68 128.48 1qb1 s LEU 24 Ca -0.04 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1qb1 s LEU 24 Cb -0.14 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1qb1 s LEU 24 CO 0.03 -0.02 -0.15 0.21 0.23 0.00 0.00 176.35 176.66 1qb1 s ASN 25 N 0.81 1.93 -0.34 2.29 3.84 0.26 -1.57 114.94 122.16 1qb1 s ASN 25 Ca 0.20 -0.32 0.15 0.00 0.21 0.00 0.00 52.86 53.10 1qb1 s ASN 25 Cb -0.14 -0.66 0.46 0.00 -0.55 0.00 0.00 41.25 40.35 1qb1 s ASN 25 CO 0.07 0.10 1.03 -1.54 -2.79 0.00 0.00 177.10 173.97 1qb1 n SER 26 N 3.40 2.46 0.00 -4.21 3.41 -1.26 -0.96 113.62 116.45 1qb1 n SER 26 Ca -0.20 -2.90 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1qb1 n SER 26 Cb 0.53 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1qb1 n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qb1 n GLY 27 N -0.29 0.77 3.61 5.00 0.00 -1.26 -5.00 105.19 108.02 1qb1 n GLY 27 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1qb1 n GLY 27 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qb1 s TYR 28 N -2.25 -0.13 0.04 1.61 1.13 -1.26 -5.14 117.35 111.35 1qb1 s TYR 28 Ca 0.00 0.16 -0.30 0.00 -1.41 0.00 0.00 57.07 55.52 1qb1 s TYR 28 Cb 0.00 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 1qb1 s TYR 28 CO 0.00 -0.16 1.19 -1.58 -2.51 0.00 0.00 175.55 172.50 1qb1 s HIS 29 N -1.67 3.39 0.00 -3.49 5.65 -1.26 -4.32 115.29 113.59 1qb1 s HIS 29 Ca 0.07 1.29 0.00 0.00 0.25 0.00 0.00 55.06 56.67 1qb1 s HIS 29 Cb -0.01 -3.41 0.00 0.00 -1.18 0.00 0.00 32.58 27.98 1qb1 s HIS 29 CO -0.05 -1.26 0.00 1.97 -0.65 0.00 0.00 174.74 174.76 1qb1 n PHE 30 N 4.20 0.00 -3.48 3.88 1.16 -0.61 -5.00 117.46 117.62 1qb1 n PHE 30 Ca 0.09 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.57 1qb1 n PHE 30 Cb 0.46 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 1qb1 n PHE 30 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qb1 s GLY 32 N -2.67 1.73 0.09 0.00 0.00 0.15 -0.24 107.32 106.38 1qb1 s GLY 32 Ca 0.03 -2.05 -0.26 0.00 0.00 0.00 0.00 44.72 42.44 1qb1 s GLY 32 CO -0.10 -1.54 1.13 -0.32 0.00 0.00 0.00 173.10 172.27 1qb1 s GLY 33 N -4.71 -0.16 -0.04 0.20 0.00 -0.96 -3.78 107.32 97.87 1qb1 s GLY 33 Ca 0.64 0.13 0.03 0.00 0.00 0.00 0.00 44.72 45.52 1qb1 s GLY 33 CO 0.41 1.72 -0.13 -0.56 0.00 0.00 0.00 173.10 174.54 1qb1 s SER 34 N -3.24 1.73 -0.20 1.64 0.01 0.24 -1.36 113.70 112.52 1qb1 s SER 34 Ca 0.19 -0.28 -0.27 0.00 1.31 0.00 0.00 55.95 56.90 1qb1 s SER 34 Cb 0.00 -0.52 -0.00 0.00 0.21 0.00 0.00 66.02 65.71 1qb1 s SER 34 CO 0.01 0.10 0.92 -0.22 0.41 0.00 0.00 173.24 174.46 1qb1 s LEU 35 N 0.19 4.14 -0.01 2.44 2.96 -0.16 -0.14 118.68 128.10 1qb1 s LEU 35 Ca -0.05 1.25 0.12 0.00 -0.22 0.00 0.00 54.13 55.22 1qb1 s LEU 35 Cb -0.11 -3.36 -0.16 0.00 0.50 0.00 0.00 46.19 43.06 1qb1 s LEU 35 CO 0.02 -0.52 0.33 2.30 -1.32 0.00 0.00 176.35 177.16 1qb1 n ILE 36 N 5.03 0.00 -3.71 6.68 -5.35 -0.24 -0.60 119.36 121.16 1qb1 n ILE 36 Ca 0.08 -0.26 -0.08 0.00 -0.27 0.00 0.00 62.75 62.22 1qb1 n ILE 36 Cb 0.48 0.50 0.02 0.00 -1.74 0.00 0.00 39.64 38.90 1qb1 n ILE 36 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1qb1 n ASN 37 N -1.69 -2.00 0.13 7.28 0.23 -1.17 -4.53 115.26 113.52 1qb1 n ASN 37 Ca -0.01 -2.41 0.11 0.00 -0.53 0.00 0.00 54.58 51.74 1qb1 n ASN 37 Cb 0.26 3.33 0.51 0.00 -2.08 0.00 0.00 39.78 41.80 1qb1 n ASN 37 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1qb1 n SER 38 N -1.48 0.61 0.00 0.53 3.41 -1.26 -3.20 113.62 112.23 1qb1 n SER 38 Ca -0.07 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1qb1 n SER 38 Cb 0.52 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1qb1 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qb1 n GLN 39 N -2.21 -0.25 -4.38 4.33 6.02 -1.26 -0.20 117.38 119.42 1qb1 n GLN 39 Ca 0.01 -0.43 -0.19 0.00 -0.01 0.00 0.00 57.00 56.38 1qb1 n GLN 39 Cb 0.16 -0.81 -0.15 0.00 1.02 0.00 0.00 30.24 30.47 1qb1 n GLN 39 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1qb1 s TRP 40 N -0.09 0.86 0.04 1.08 0.52 -1.19 -0.36 118.94 119.79 1qb1 s TRP 40 Ca 0.00 -0.18 0.08 0.00 0.02 0.00 0.00 56.10 56.03 1qb1 s TRP 40 Cb 0.00 -0.57 -0.03 0.00 -1.15 0.00 0.00 33.47 31.72 1qb1 s TRP 40 CO 0.00 -0.04 -0.23 0.08 0.02 0.00 0.00 176.95 176.78 1qb1 s VAL 41 N -0.09 2.38 -0.08 4.03 1.01 -0.06 -1.08 120.40 126.51 1qb1 s VAL 41 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1qb1 s VAL 41 Cb -0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1qb1 s VAL 41 CO -0.00 0.36 -0.06 0.68 0.00 0.00 0.00 175.10 176.08 1qb1 s VAL 42 N -0.84 3.74 0.00 2.92 -7.23 0.80 -0.62 120.40 119.16 1qb1 s VAL 42 Ca 0.13 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1qb1 s VAL 42 Cb -0.10 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1qb1 s VAL 42 CO 0.03 0.59 0.00 -0.24 -0.31 0.00 0.00 175.10 175.17 1qb1 n SER 43 N 2.40 0.00 -4.87 4.85 2.88 -0.06 -0.60 113.62 118.22 1qb1 n SER 43 Ca -0.18 -0.68 -0.35 0.00 -1.33 0.00 0.00 58.87 56.33 1qb1 n SER 43 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1qb1 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qb1 s ALA 44 N -1.69 3.78 0.44 -1.46 0.00 -1.26 -0.80 121.76 120.76 1qb1 s ALA 44 Ca 0.00 -0.45 0.11 0.00 0.00 0.00 0.00 51.96 51.62 1qb1 s ALA 44 Cb 0.00 -2.19 0.98 0.00 0.00 0.00 0.00 23.12 21.91 1qb1 s ALA 44 CO 0.00 0.59 2.06 0.00 0.00 0.00 0.00 175.76 178.40 1qb1 h ALA 45 N 4.05 1.85 0.00 0.00 0.00 -1.69 -1.55 119.26 121.91 1qb1 h ALA 45 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1qb1 h ALA 45 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1qb1 h ALA 45 CO 0.65 0.11 0.00 -2.39 0.00 0.00 0.00 179.25 177.62 1qb1 n HIS 46 N -4.48 0.00 1.21 0.00 1.44 -1.26 -1.45 115.22 110.68 1qb1 n HIS 46 Ca 0.04 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.87 1qb1 n HIS 46 Cb 0.15 -0.30 0.29 0.00 0.12 0.00 0.00 29.99 30.25 1qb1 n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qb1 n TYR 48 N -0.25 2.79 -3.59 0.00 4.19 -0.52 -4.99 117.16 114.78 1qb1 n TYR 48 Ca 0.13 0.33 -0.08 0.00 3.31 0.00 0.00 57.90 61.59 1qb1 n TYR 48 Cb 0.39 -2.56 -0.02 0.00 0.49 0.00 0.00 39.34 37.65 1qb1 n TYR 48 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 1qb1 s LYS 49 N -0.94 1.15 0.51 2.98 -2.85 -1.26 -5.15 119.74 114.18 1qb1 s LYS 49 Ca 0.61 -0.52 -0.03 0.00 -1.00 0.00 0.00 55.97 55.03 1qb1 s LYS 49 Cb -0.51 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 35.72 1qb1 s LYS 49 CO 0.53 -0.52 0.78 -1.54 0.10 0.00 0.00 175.35 174.71 1qb1 s SER 50 N -2.72 5.83 -0.59 0.03 1.04 -1.26 -4.46 113.70 111.57 1qb1 s SER 50 Ca 0.07 0.59 -0.01 0.00 0.48 0.00 0.00 55.95 57.07 1qb1 s SER 50 Cb -0.02 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1qb1 s SER 50 CO -0.05 -0.82 0.50 0.61 0.98 0.00 0.00 173.24 174.46 1qb1 n GLY 51 N -2.31 0.12 3.77 7.32 0.00 -1.26 -5.01 105.19 107.81 1qb1 n GLY 51 Ca 0.02 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1qb1 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qb1 s ILE 52 N -3.16 5.11 -0.16 -0.61 1.01 -1.26 -4.56 121.20 117.57 1qb1 s ILE 52 Ca 0.08 0.89 -0.02 0.00 0.00 0.00 0.00 60.65 61.61 1qb1 s ILE 52 Cb -0.04 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1qb1 s ILE 52 CO 0.34 0.44 -0.09 -1.58 0.00 0.00 0.00 174.94 174.05 1qb1 s GLN 53 N -0.10 3.43 -0.15 2.79 0.74 -0.13 -1.77 119.66 124.47 1qb1 s GLN 53 Ca 0.24 -0.64 -0.18 0.00 0.05 0.00 0.00 55.36 54.83 1qb1 s GLN 53 Cb -0.16 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 1qb1 s GLN 53 CO 0.11 0.12 0.49 0.08 -0.55 0.00 0.00 175.29 175.54 1qb1 s VAL 54 N 0.63 5.16 -0.27 1.34 1.01 0.22 -0.57 120.40 127.92 1qb1 s VAL 54 Ca -0.05 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 1qb1 s VAL 54 Cb -0.15 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1qb1 s VAL 54 CO 0.03 0.27 -0.02 -0.13 0.00 0.00 0.00 175.10 175.25 1qb1 s ARG 55 N 0.98 2.83 0.18 2.72 0.52 0.72 -0.88 118.95 126.02 1qb1 s ARG 55 Ca 0.25 -1.00 0.05 0.00 -0.52 0.00 0.00 55.73 54.51 1qb1 s ARG 55 Cb -0.15 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1qb1 s ARG 55 CO 0.10 -0.45 0.21 -0.51 0.02 0.00 0.00 175.30 174.67 1qb1 s LEU 56 N 1.35 4.01 -1.32 2.53 2.01 0.19 -1.25 118.68 126.21 1qb1 s LEU 56 Ca -0.00 -0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.10 1qb1 s LEU 56 Cb -0.17 -2.59 0.00 0.00 0.01 0.00 0.00 46.19 43.44 1qb1 s LEU 56 CO -0.02 0.03 0.00 0.61 1.01 0.00 0.00 176.35 177.98 1qb1 n GLY 57 N -0.64 1.04 3.82 -3.19 0.00 -1.26 -1.51 105.19 103.45 1qb1 n GLY 57 Ca -0.08 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1qb1 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qb1 s GLU 58 N -3.45 4.21 0.00 1.61 0.41 -1.26 -4.00 118.70 116.23 1qb1 s GLU 58 Ca 0.00 0.97 0.00 0.00 -0.41 0.00 0.00 54.97 55.53 1qb1 s GLU 58 Cb 0.00 -2.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 1qb1 s GLU 58 CO 0.00 0.14 0.00 -3.47 -0.49 0.00 0.00 175.26 171.44 1qb1 n ASP 59 N -0.18 0.00 -4.62 -0.19 2.03 -1.26 -4.64 116.55 107.68 1qb1 n ASP 59 Ca 0.04 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.92 1qb1 n ASP 59 Cb 0.53 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1qb1 n ASP 59 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1qb1 s ASN 60 N 1.00 6.80 0.00 1.67 3.84 -1.26 -3.17 114.94 123.83 1qb1 s ASN 60 Ca 0.00 0.81 0.28 0.00 0.21 0.00 0.00 52.86 54.16 1qb1 s ASN 60 Cb 0.00 -2.53 1.45 0.00 -0.55 0.00 0.00 41.25 39.63 1qb1 s ASN 60 CO 0.00 -0.96 1.97 2.30 -2.79 0.00 0.00 177.10 177.62 1qb1 n ILE 61 N 6.11 0.09 0.86 -5.21 -5.35 -0.13 -3.17 119.36 112.56 1qb1 n ILE 61 Ca 0.11 0.02 0.09 0.00 -0.27 0.00 0.00 62.75 62.70 1qb1 n ILE 61 Cb 0.48 -0.57 -0.07 0.00 -1.74 0.00 0.00 39.64 37.74 1qb1 n ILE 61 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1qb1 n ASN 62 N -1.23 1.16 -4.11 7.28 3.02 -1.26 -4.96 115.26 115.15 1qb1 n ASN 62 Ca 0.15 -1.08 -0.23 0.00 -0.03 0.00 0.00 54.58 53.39 1qb1 n ASN 62 Cb 0.20 0.84 -0.15 0.00 -0.61 0.00 0.00 39.78 40.05 1qb1 n ASN 62 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qb1 s VAL 63 N -2.55 1.14 -0.46 2.41 1.01 -1.19 -5.10 120.40 115.66 1qb1 s VAL 63 Ca 0.10 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1qb1 s VAL 63 Cb 0.14 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.59 1qb1 s VAL 63 CO 0.67 0.33 1.03 -0.69 0.00 0.00 0.00 175.10 176.43 1qb1 s VAL 64 N -0.28 4.35 -0.45 2.92 1.01 -1.26 -4.74 120.40 121.93 1qb1 s VAL 64 Ca 0.04 1.02 0.13 0.00 0.00 0.00 0.00 61.98 63.18 1qb1 s VAL 64 Cb -0.06 -4.51 -0.16 0.00 0.00 0.00 0.00 36.38 31.64 1qb1 s VAL 64 CO -0.00 -0.90 0.49 -0.62 0.00 0.00 0.00 175.10 174.06 1qb1 n GLU 65 N 7.48 2.01 0.00 2.72 1.02 -1.26 -5.10 120.64 127.51 1qb1 n GLU 65 Ca 0.09 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1qb1 n GLU 65 Cb 0.49 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 1qb1 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qb1 n GLY 66 N 1.43 2.59 2.43 0.62 0.00 -1.26 -4.99 105.19 106.00 1qb1 n GLY 66 Ca 0.01 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1qb1 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qb1 n ASN 67 N 0.00 0.00 -4.80 1.61 3.02 -1.26 -4.97 115.26 108.86 1qb1 n ASN 67 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1qb1 n ASN 67 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1qb1 n ASN 67 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qb1 s GLU 68 N -0.26 3.87 -0.10 3.52 8.01 -1.26 -4.38 118.70 128.10 1qb1 s GLU 68 Ca 0.00 1.34 -0.01 0.00 0.01 0.00 0.00 54.97 56.31 1qb1 s GLU 68 Cb 0.00 -2.12 0.03 0.00 -4.31 0.00 0.00 34.13 27.73 1qb1 s GLU 68 CO 0.00 -0.37 -0.03 -0.65 0.01 0.00 0.00 175.26 174.21 1qb1 s GLN 69 N -3.20 1.06 -0.26 1.61 -0.21 -0.57 -4.99 119.66 113.11 1qb1 s GLN 69 Ca 0.66 -0.10 -0.08 0.00 0.02 0.00 0.00 55.36 55.87 1qb1 s GLN 69 Cb -0.16 -1.33 -0.03 0.00 1.00 0.00 0.00 33.01 32.49 1qb1 s GLN 69 CO 0.19 -0.30 0.08 -0.06 -2.12 0.00 0.00 175.29 173.08 1qb1 s PHE 70 N 1.84 3.10 -0.03 0.91 2.99 -1.26 -0.64 117.98 124.89 1qb1 s PHE 70 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 56.93 56.60 1qb1 s PHE 70 Cb -0.13 -2.26 0.03 0.00 0.00 0.00 0.00 43.02 40.66 1qb1 s PHE 70 CO -0.07 -0.35 -0.00 0.42 -0.00 0.00 0.00 175.22 175.22 1qb1 s ILE 71 N 1.63 0.18 0.55 0.64 1.01 -0.06 -4.98 121.20 120.17 1qb1 s ILE 71 Ca 0.06 0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.60 1qb1 s ILE 71 Cb -0.15 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 1qb1 s ILE 71 CO 0.04 0.14 1.10 -0.44 0.00 0.00 0.00 174.94 175.79 1qb1 s SER 72 N 0.98 5.77 0.05 3.58 0.01 -1.26 0.71 113.70 123.53 1qb1 s SER 72 Ca -0.10 2.07 -0.29 0.00 1.31 0.00 0.00 55.95 58.94 1qb1 s SER 72 Cb -0.13 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 1qb1 s SER 72 CO -0.02 -1.18 0.92 0.00 0.41 0.00 0.00 173.24 173.37 1qb1 s ALA 73 N -1.95 3.24 -0.06 1.44 0.00 -0.73 -0.92 121.76 122.78 1qb1 s ALA 73 Ca 0.70 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 1qb1 s ALA 73 Cb -0.21 -3.24 -0.29 0.00 0.00 0.00 0.00 23.12 19.38 1qb1 s ALA 73 CO 0.28 -0.09 0.60 0.66 0.00 0.00 0.00 175.76 177.21 1qb1 h SER 74 N 6.08 0.55 -4.92 0.00 4.64 -0.58 -3.44 113.55 115.88 1qb1 h SER 74 Ca -0.42 -0.91 -0.07 0.00 -0.47 0.00 0.00 61.79 59.92 1qb1 h SER 74 Cb 1.21 -0.18 -0.19 0.00 -0.31 0.00 0.00 62.40 62.93 1qb1 h SER 74 CO 0.73 1.78 0.08 -1.59 -0.87 0.00 0.00 176.83 176.96 1qb1 s LYS 75 N -2.58 0.96 -0.12 4.77 -2.85 -1.16 -5.01 119.74 113.74 1qb1 s LYS 75 Ca -0.17 0.21 0.03 0.00 -1.00 0.00 0.00 55.97 55.04 1qb1 s LYS 75 Cb 0.06 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.28 1qb1 s LYS 75 CO 0.83 -0.28 -0.22 -1.12 0.10 0.00 0.00 175.35 174.66 1qb1 s SER 76 N -1.10 3.04 -0.37 0.03 0.01 -1.26 -1.10 113.70 112.95 1qb1 s SER 76 Ca -0.11 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 1qb1 s SER 76 Cb -0.01 -1.40 0.09 0.00 0.21 0.00 0.00 66.02 64.91 1qb1 s SER 76 CO 0.08 0.11 0.12 -0.63 0.41 0.00 0.00 173.24 173.34 1qb1 s ILE 77 N 0.61 3.04 0.16 1.44 1.01 0.25 -4.97 121.20 122.74 1qb1 s ILE 77 Ca -0.12 -1.92 -0.30 0.00 0.00 0.00 0.00 60.65 58.30 1qb1 s ILE 77 Cb -0.17 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.21 1qb1 s ILE 77 CO 0.03 -0.52 0.97 -0.69 0.00 0.00 0.00 174.94 174.73 1qb1 s VAL 78 N 1.13 4.29 0.24 2.92 1.01 -1.26 -0.40 120.40 128.34 1qb1 s VAL 78 Ca 0.05 2.02 -0.31 0.00 0.00 0.00 0.00 61.98 63.74 1qb1 s VAL 78 Cb -0.21 -4.29 -0.13 0.00 0.00 0.00 0.00 36.38 31.74 1qb1 s VAL 78 CO -0.04 0.37 1.47 1.57 0.00 0.00 0.00 175.10 178.46 1qb1 n HIS 79 N 2.33 2.32 0.29 5.22 -0.00 -0.64 -4.83 115.22 119.91 1qb1 n HIS 79 Ca 0.01 0.38 0.18 0.00 0.46 0.00 0.00 57.72 58.74 1qb1 n HIS 79 Cb 0.48 -2.50 0.97 0.00 -0.12 0.00 0.00 29.99 28.82 1qb1 n HIS 79 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1qb1 h PRO 80 N 4.52 0.00 -0.55 1.57 0.11 -1.93 -2.17 132.00 133.55 1qb1 h PRO 80 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qb1 h PRO 80 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1qb1 h PRO 80 CO 0.78 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.00 1qb1 n SER 81 N -3.57 4.32 -4.75 -2.05 7.64 -1.26 -4.98 113.62 108.97 1qb1 n SER 81 Ca -0.02 -2.43 -0.41 0.00 1.01 0.00 0.00 58.87 57.02 1qb1 n SER 81 Cb 0.17 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.84 1qb1 n SER 81 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1qb1 s TYR 82 N -1.80 2.84 -0.27 1.43 6.14 -0.82 -4.70 117.35 120.17 1qb1 s TYR 82 Ca 0.45 0.81 0.03 0.00 0.64 0.00 0.00 57.07 59.01 1qb1 s TYR 82 Cb 0.29 -4.00 0.06 0.00 0.42 0.00 0.00 41.96 38.73 1qb1 s TYR 82 CO 0.21 -3.39 -0.10 1.21 0.64 0.00 0.00 175.55 174.13 1qb1 s ASN 83 N 0.52 4.47 0.47 4.32 3.84 -0.82 -5.00 114.94 122.74 1qb1 s ASN 83 Ca 0.63 -1.46 0.32 0.00 0.21 0.00 0.00 52.86 52.56 1qb1 s ASN 83 Cb -0.46 -1.55 1.57 0.00 -0.55 0.00 0.00 41.25 40.26 1qb1 s ASN 83 CO 0.45 -0.21 1.97 0.77 -2.79 0.00 0.00 177.10 177.29 1qb1 h SER 84 N 7.76 0.00 0.49 -4.21 4.64 -1.93 1.21 113.55 121.50 1qb1 h SER 84 Ca -0.18 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.84 1qb1 h SER 84 Cb 1.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1qb1 h SER 84 CO 0.46 0.00 -1.41 0.78 -0.87 0.00 0.00 176.83 175.80 1qb1 h ASN 85 N 0.00 0.49 0.00 4.97 4.21 -1.97 -3.37 115.58 119.91 1qb1 h ASN 85 Ca 0.00 -0.58 0.00 0.00 1.21 0.00 0.00 56.30 56.93 1qb1 h ASN 85 Cb 0.19 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1qb1 h ASN 85 CO 0.00 1.47 -1.29 0.35 -1.29 0.00 0.00 177.43 176.67 1qb1 n THR 86 N -3.54 0.00 -1.18 2.81 -2.24 -0.95 -5.00 114.28 104.17 1qb1 n THR 86 Ca -0.13 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.32 1qb1 n THR 86 Cb 1.05 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1qb1 n THR 86 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qb1 n LEU 87 N -1.75 -0.29 -4.77 3.22 4.77 0.41 -4.99 117.00 113.61 1qb1 n LEU 87 Ca -0.01 0.16 -0.39 0.00 -0.03 0.00 0.00 56.01 55.73 1qb1 n LEU 87 Cb 0.27 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 39.78 1qb1 n LEU 87 CO 0.24 -0.50 0.87 0.21 -1.33 0.00 0.00 177.39 176.88 1qb1 s ASN 88 N -2.57 6.76 -1.09 -1.43 2.47 -1.21 -3.02 114.94 114.85 1qb1 s ASN 88 Ca 0.00 2.44 -0.04 0.00 0.42 0.00 0.00 52.86 55.68 1qb1 s ASN 88 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1qb1 s ASN 88 CO 0.00 -0.51 0.94 0.59 -3.72 0.00 0.00 177.10 174.39 1qb1 n ASN 89 N 0.55 -4.17 -4.42 -4.21 5.03 -1.26 -1.94 115.26 104.85 1qb1 n ASN 89 Ca 0.02 -0.48 -0.43 0.00 0.87 0.00 0.00 54.58 54.55 1qb1 n ASN 89 Cb 0.45 -4.36 0.00 0.00 -1.02 0.00 0.00 39.78 34.85 1qb1 n ASN 89 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1qb1 n ASP 90 N -2.51 4.91 -3.75 6.41 2.03 -1.17 -4.30 116.55 118.18 1qb1 n ASP 90 Ca -0.10 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 1qb1 n ASP 90 Cb 0.59 -1.68 -0.10 0.00 -0.72 0.00 0.00 41.12 39.21 1qb1 n ASP 90 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1qb1 s ILE 91 N 3.19 -0.00 -0.00 5.18 2.07 -1.26 -3.93 121.20 126.44 1qb1 s ILE 91 Ca 0.49 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.71 1qb1 s ILE 91 Cb 0.04 -0.51 -0.00 0.00 0.13 0.00 0.00 42.46 42.11 1qb1 s ILE 91 CO 0.04 0.00 0.04 -0.32 -1.91 0.00 0.00 174.94 172.79 1qb1 s MET 92 N 0.23 0.24 -0.08 3.50 -2.45 0.02 -1.62 119.30 119.13 1qb1 s MET 92 Ca -0.00 -0.27 -0.00 0.00 -1.25 0.00 0.00 55.69 54.17 1qb1 s MET 92 Cb -0.03 0.10 -0.03 0.00 1.25 0.00 0.00 34.83 36.12 1qb1 s MET 92 CO 0.00 -0.04 -0.06 -0.51 1.05 0.00 0.00 175.02 175.46 1qb1 s LEU 93 N -0.80 3.20 -0.10 4.11 1.43 0.47 -0.88 118.68 126.10 1qb1 s LEU 93 Ca -0.09 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1qb1 s LEU 93 Cb -0.05 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1qb1 s LEU 93 CO -0.00 0.33 -0.16 -0.63 0.23 0.00 0.00 176.35 176.13 1qb1 s ILE 94 N -0.62 1.50 -0.21 -0.59 1.01 0.21 0.86 121.20 123.35 1qb1 s ILE 94 Ca 0.09 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 1qb1 s ILE 94 Cb -0.12 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1qb1 s ILE 94 CO 0.02 0.44 0.30 -0.75 0.00 0.00 0.00 174.94 174.94 1qb1 s LYS 95 N 0.92 4.14 0.34 2.79 2.20 -0.26 -0.88 119.74 128.99 1qb1 s LYS 95 Ca -0.08 0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 55.28 1qb1 s LYS 95 Cb -0.15 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 1qb1 s LYS 95 CO -0.01 0.03 1.01 -0.51 -0.36 0.00 0.00 175.35 175.51 1qb1 s LEU 96 N 1.12 4.32 0.30 5.43 1.43 0.51 0.12 118.68 131.90 1qb1 s LEU 96 Ca 0.14 1.99 -0.02 0.00 -1.03 0.00 0.00 54.13 55.22 1qb1 s LEU 96 Cb -0.14 -3.99 0.45 0.00 0.03 0.00 0.00 46.19 42.54 1qb1 s LEU 96 CO 0.06 -0.23 1.97 0.50 0.23 0.00 0.00 176.35 178.88 1qb1 h LYS 97 N 3.08 1.08 -4.79 1.70 3.64 -1.31 -3.42 116.57 116.54 1qb1 h LYS 97 Ca -0.47 -0.07 -0.27 0.00 -1.27 0.00 0.00 60.65 58.57 1qb1 h LYS 97 Cb 1.20 -0.24 -0.17 0.00 -0.41 0.00 0.00 32.23 32.61 1qb1 h LYS 97 CO 0.64 0.72 -0.71 -1.54 -2.27 0.00 0.00 179.45 176.29 1qb1 s SER 98 N -6.29 1.29 0.43 4.20 1.04 -1.26 -4.99 113.70 108.12 1qb1 s SER 98 Ca -0.12 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.18 1qb1 s SER 98 Cb 0.18 0.05 -0.08 0.00 0.10 0.00 0.00 66.02 66.27 1qb1 s SER 98 CO 0.79 -0.35 1.20 0.00 0.98 0.00 0.00 173.24 175.87 1qb1 s ALA 99 N -2.92 3.09 0.57 5.32 0.00 -1.26 -4.88 121.76 121.67 1qb1 s ALA 99 Ca 0.08 1.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 1qb1 s ALA 99 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1qb1 s ALA 99 CO -0.02 -0.68 1.07 0.00 0.00 0.00 0.00 175.76 176.13 1qb1 s ALA 100 N -1.42 2.72 -0.43 0.00 0.00 0.72 -5.00 121.76 118.35 1qb1 s ALA 100 Ca 0.60 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.91 1qb1 s ALA 100 Cb -0.32 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1qb1 s ALA 100 CO 0.40 -0.76 0.52 0.45 0.00 0.00 0.00 175.76 176.36 1qb1 s SER 101 N -2.40 6.25 0.09 0.00 0.15 -1.26 -4.89 113.70 111.64 1qb1 s SER 101 Ca 0.66 -0.53 -0.29 0.00 0.70 0.00 0.00 55.95 56.50 1qb1 s SER 101 Cb -0.18 -2.26 -0.06 0.00 -1.71 0.00 0.00 66.02 61.81 1qb1 s SER 101 CO 0.32 -0.66 0.90 -0.76 1.20 0.00 0.00 173.24 174.25 1qb1 s LEU 102 N 2.41 4.49 0.00 3.45 1.43 -1.26 -4.78 118.68 124.42 1qb1 s LEU 102 Ca 0.16 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1qb1 s LEU 102 Cb -0.16 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1qb1 s LEU 102 CO 0.16 -0.04 0.00 -0.46 0.23 0.00 0.00 176.35 176.24 1qb1 n ASN 103 N 2.79 0.00 -0.24 2.29 0.23 -0.07 -4.98 115.26 115.27 1qb1 n ASN 103 Ca 0.01 -0.89 0.04 0.00 -0.53 0.00 0.00 54.58 53.22 1qb1 n ASN 103 Cb 0.49 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.36 1qb1 n ASN 103 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1qb1 h SER 104 N 0.00 0.00 0.86 0.53 0.87 -2.01 -2.84 113.55 110.96 1qb1 h SER 104 Ca 0.00 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1qb1 h SER 104 Cb 0.00 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1qb1 h SER 104 CO 0.00 -0.03 -1.01 0.54 -0.53 0.00 0.00 176.83 175.81 1qb1 n ARG 105 N -5.15 0.53 -3.87 2.24 3.00 -1.26 -4.74 116.66 107.40 1qb1 n ARG 105 Ca 0.13 0.09 -0.30 0.00 -0.01 0.00 0.00 57.85 57.76 1qb1 n ARG 105 Cb 0.43 -1.76 -0.16 0.00 0.00 0.00 0.00 32.46 30.96 1qb1 n ARG 105 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1qb1 s VAL 106 N -3.33 1.26 0.05 1.55 1.01 -1.07 -4.47 120.40 115.40 1qb1 s VAL 106 Ca 0.01 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 1qb1 s VAL 106 Cb 0.11 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1qb1 s VAL 106 CO 0.79 -0.21 -0.03 0.00 0.00 0.00 0.00 175.10 175.65 1qb1 s ALA 107 N 1.50 0.55 0.54 5.51 0.00 -0.83 -0.90 121.76 128.14 1qb1 s ALA 107 Ca -0.02 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 1qb1 s ALA 107 Cb -0.18 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1qb1 s ALA 107 CO -0.09 -0.36 0.80 -1.54 0.00 0.00 0.00 175.76 174.57 1qb1 s SER 108 N -2.93 5.53 0.06 0.00 1.04 -1.26 -3.26 113.70 112.87 1qb1 s SER 108 Ca 0.08 0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.96 1qb1 s SER 108 Cb 0.08 -1.40 -0.03 0.00 0.10 0.00 0.00 66.02 64.76 1qb1 s SER 108 CO -0.09 -1.01 -0.18 -0.51 0.98 0.00 0.00 173.24 172.43 1qb1 s ILE 109 N -2.81 2.80 0.44 -1.02 1.10 0.23 -4.86 121.20 117.08 1qb1 s ILE 109 Ca 0.53 -1.26 -0.16 0.00 -0.51 0.00 0.00 60.65 59.25 1qb1 s ILE 109 Cb -0.10 -2.20 -0.08 0.00 0.15 0.00 0.00 42.46 40.22 1qb1 s ILE 109 CO 0.41 0.28 0.89 -0.44 -2.11 0.00 0.00 174.94 173.97 1qb1 s SER 110 N -1.60 6.69 0.35 4.50 0.01 -1.26 -4.53 113.70 117.86 1qb1 s SER 110 Ca 0.15 1.45 -0.19 0.00 1.31 0.00 0.00 55.95 58.67 1qb1 s SER 110 Cb -0.11 -2.45 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 1qb1 s SER 110 CO 0.06 -0.44 0.85 -0.76 0.41 0.00 0.00 173.24 173.36 1qb1 s LEU 111 N -3.67 4.09 0.63 2.44 1.43 -1.26 -0.91 118.68 121.43 1qb1 s LEU 111 Ca 0.57 1.54 -0.15 0.00 -1.03 0.00 0.00 54.13 55.06 1qb1 s LEU 111 Cb -0.10 -4.19 -0.02 0.00 0.03 0.00 0.00 46.19 41.92 1qb1 s LEU 111 CO 0.25 -0.22 1.08 -2.16 0.23 0.00 0.00 176.35 175.54 1qb1 s PRO 112 N -2.80 3.03 -0.12 1.29 0.04 -1.26 -4.81 135.00 130.38 1qb1 s PRO 112 Ca 0.55 1.29 0.17 0.00 0.04 0.00 0.00 61.00 63.05 1qb1 s PRO 112 Cb -0.12 -1.99 -0.25 0.00 0.04 0.00 0.00 34.50 32.19 1qb1 s PRO 112 CO 0.17 -1.05 0.20 0.25 0.04 0.00 0.00 177.00 176.60 1qb1 n THR 113 N -2.28 0.76 -3.98 1.26 -2.24 -1.26 -4.96 114.28 101.58 1qb1 n THR 113 Ca 0.10 -0.63 -0.08 0.00 -2.27 0.00 0.00 64.05 61.16 1qb1 n THR 113 Cb 0.52 -0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 1qb1 n THR 113 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qb1 s SER 114 N -4.81 0.29 0.59 3.42 1.04 -1.26 -5.14 113.70 107.82 1qb1 s SER 114 Ca -0.08 -0.72 -0.17 0.00 0.48 0.00 0.00 55.95 55.47 1qb1 s SER 114 Cb 0.08 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1qb1 s SER 114 CO 0.75 -0.56 1.09 0.00 0.98 0.00 0.00 173.24 175.50 1qb1 s ALA 116 N -2.21 3.47 0.46 0.00 0.00 -1.26 -5.09 121.76 117.13 1qb1 s ALA 116 Ca 0.67 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 1qb1 s ALA 116 Cb -0.19 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1qb1 s ALA 116 CO 0.35 0.42 0.69 -1.54 0.00 0.00 0.00 175.76 175.68 1qb1 s SER 117 N -2.18 5.89 0.43 0.00 1.04 -1.26 -5.01 113.70 112.61 1qb1 s SER 117 Ca 0.48 0.40 -0.24 0.00 0.48 0.00 0.00 55.95 57.07 1qb1 s SER 117 Cb -0.12 -1.66 -0.10 0.00 0.10 0.00 0.00 66.02 64.24 1qb1 s SER 117 CO 0.19 -0.69 1.15 0.00 0.98 0.00 0.00 173.24 174.87 1qb1 n ALA 118 N -2.12 0.76 0.00 5.32 0.00 -1.26 -1.78 120.51 121.43 1qb1 n ALA 118 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1qb1 n ALA 118 Cb 0.57 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1qb1 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qb1 n GLY 119 N 0.99 2.21 3.73 0.00 0.00 0.17 -4.96 105.19 107.34 1qb1 n GLY 119 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1qb1 n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qb1 s THR 120 N -2.30 2.77 0.02 2.61 2.01 -0.74 -4.67 115.64 115.36 1qb1 s THR 120 Ca 0.00 0.58 -0.22 0.00 0.31 0.00 0.00 61.69 62.36 1qb1 s THR 120 Cb 0.00 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 1qb1 s THR 120 CO 0.00 0.06 0.65 -1.10 -0.69 0.00 0.00 174.62 173.54 1qb1 s GLN 121 N 0.70 4.37 0.21 4.92 1.11 -1.26 -1.30 119.66 128.40 1qb1 s GLN 121 Ca 0.66 0.84 0.05 0.00 0.01 0.00 0.00 55.36 56.92 1qb1 s GLN 121 Cb -0.42 -3.33 -0.05 0.00 -1.01 0.00 0.00 33.01 28.20 1qb1 s GLN 121 CO 0.34 0.38 -0.06 0.00 0.01 0.00 0.00 175.29 175.97 1qb1 s LEU 123 N -3.29 2.89 -0.06 0.00 2.96 0.39 -0.46 118.68 121.11 1qb1 s LEU 123 Ca 0.25 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1qb1 s LEU 123 Cb 0.04 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1qb1 s LEU 123 CO 0.07 0.08 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.38 1qb1 s ILE 124 N 0.88 2.82 0.04 6.68 1.01 0.20 -1.12 121.20 131.72 1qb1 s ILE 124 Ca -0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 1qb1 s ILE 124 Cb -0.15 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 1qb1 s ILE 124 CO 0.01 0.58 0.12 -0.94 0.00 0.00 0.00 174.94 174.71 1qb1 s SER 125 N -0.45 0.15 0.00 3.58 1.04 -1.22 0.02 113.70 116.81 1qb1 s SER 125 Ca 0.05 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1qb1 s SER 125 Cb -0.12 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1qb1 s SER 125 CO 0.02 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1qb1 n GLY 126 N 0.64 -1.03 1.04 7.32 0.00 -0.58 -4.45 105.19 108.13 1qb1 n GLY 126 Ca -0.18 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.76 1qb1 n GLY 126 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qb1 n TRP 127 N -0.38 1.10 -1.48 1.61 8.01 -1.26 -2.02 117.44 123.02 1qb1 n TRP 127 Ca 0.00 -1.03 -0.30 0.00 -1.31 0.00 0.00 57.50 54.86 1qb1 n TRP 127 Cb 0.00 -0.38 0.21 0.00 -2.01 0.00 0.00 31.31 29.13 1qb1 n TRP 127 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1qb1 s GLY 128 N -1.96 1.67 0.24 6.99 0.00 -1.25 -4.37 107.32 108.64 1qb1 s GLY 128 Ca 0.44 -1.03 -0.31 0.00 0.00 0.00 0.00 44.72 43.83 1qb1 s GLY 128 CO 0.08 -0.21 1.25 -2.01 0.00 0.00 0.00 173.10 172.21 1qb1 n ASN 129 N -4.26 2.09 -0.85 1.64 5.15 0.36 -3.10 115.26 116.28 1qb1 n ASN 129 Ca 0.14 1.16 0.10 0.00 -0.60 0.00 0.00 54.58 55.37 1qb1 n ASN 129 Cb 0.59 -1.35 0.10 0.00 -0.53 0.00 0.00 39.78 38.60 1qb1 n ASN 129 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1qb1 n THR 130 N 1.30 0.09 -4.69 -0.44 -2.24 -0.30 -1.43 114.28 106.57 1qb1 n THR 130 Ca 0.11 -0.54 -0.30 0.00 -2.27 0.00 0.00 64.05 61.05 1qb1 n THR 130 Cb 0.30 1.35 -0.13 0.00 -2.10 0.00 0.00 70.33 69.75 1qb1 n THR 130 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qb1 s LYS 131 N -1.65 1.96 -0.11 -0.78 1.02 -1.26 -4.43 119.74 114.49 1qb1 s LYS 131 Ca 0.26 -1.04 -0.15 0.00 0.02 0.00 0.00 55.97 55.06 1qb1 s LYS 131 Cb 0.18 -2.12 -0.13 0.00 -0.52 0.00 0.00 37.83 35.23 1qb1 s LYS 131 CO 0.26 0.53 0.47 0.77 -0.92 0.00 0.00 175.35 176.45 1qb1 h SER 132 N 4.53 -0.04 -3.44 2.83 0.02 -1.94 -3.42 113.55 112.09 1qb1 h SER 132 Ca -0.48 -0.45 -0.72 0.00 -0.84 0.00 0.00 61.79 59.31 1qb1 h SER 132 Cb 1.15 0.01 -0.28 0.00 0.14 0.00 0.00 62.40 63.42 1qb1 h SER 132 CO 0.46 0.66 -0.46 -0.94 -1.14 0.00 0.00 176.83 175.41 1qb1 s SER 133 N -5.78 5.64 0.00 3.07 1.04 -1.26 -4.81 113.70 111.60 1qb1 s SER 133 Ca -0.10 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.81 1qb1 s SER 133 Cb -0.01 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1qb1 s SER 133 CO 0.36 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1qb1 n GLY 134 N 4.92 0.89 3.08 7.32 0.00 -1.26 -5.03 105.19 115.09 1qb1 n GLY 134 Ca -0.10 -2.24 -0.25 0.00 0.00 0.00 0.00 46.02 43.43 1qb1 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qb1 s THR 135 N -1.12 1.29 -0.27 2.61 2.01 -1.26 -4.55 115.64 114.35 1qb1 s THR 135 Ca 0.00 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 1qb1 s THR 135 Cb 0.00 -1.14 0.16 0.00 0.01 0.00 0.00 72.50 71.52 1qb1 s THR 135 CO 0.00 0.38 0.46 -0.55 -0.69 0.00 0.00 174.62 174.23 1qb1 s SER 136 N 0.40 -0.35 -0.16 3.53 0.15 -1.26 -5.00 113.70 111.02 1qb1 s SER 136 Ca -0.11 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.79 1qb1 s SER 136 Cb -0.14 1.49 -0.05 0.00 -1.71 0.00 0.00 66.02 65.61 1qb1 s SER 136 CO 0.04 -0.29 0.23 -0.31 1.20 0.00 0.00 173.24 174.10 1qb1 s TYR 137 N 2.66 3.48 0.60 3.44 2.02 -1.26 -1.15 117.35 127.14 1qb1 s TYR 137 Ca 0.15 0.53 -0.09 0.00 -0.37 0.00 0.00 57.07 57.29 1qb1 s TYR 137 Cb -0.15 -2.23 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 1qb1 s TYR 137 CO -0.19 0.35 0.96 -1.25 -1.57 0.00 0.00 175.55 173.85 1qb1 s PRO 138 N 0.13 3.28 -0.08 -1.71 0.04 -1.26 -5.01 135.00 130.39 1qb1 s PRO 138 Ca 0.14 0.40 -0.14 0.00 0.04 0.00 0.00 61.00 61.45 1qb1 s PRO 138 Cb -0.12 -2.17 -0.29 0.00 0.04 0.00 0.00 34.50 31.95 1qb1 s PRO 138 CO 0.03 -0.62 0.61 -0.44 0.04 0.00 0.00 177.00 176.61 1qb1 h ASP 139 N -0.24 0.49 -2.03 6.66 3.32 -1.94 -3.47 116.42 119.21 1qb1 h ASP 139 Ca -0.45 -0.90 -0.48 0.00 0.02 0.00 0.00 57.03 55.22 1qb1 h ASP 139 Cb 1.22 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1qb1 h ASP 139 CO 0.62 1.70 -0.45 0.68 -1.72 0.00 0.00 179.24 180.07 1qb1 s VAL 140 N -2.52 4.28 0.22 -1.35 -7.23 -1.26 -0.96 120.40 111.58 1qb1 s VAL 140 Ca -0.18 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 1qb1 s VAL 140 Cb 0.05 -3.43 -0.09 0.00 0.56 0.00 0.00 36.38 33.47 1qb1 s VAL 140 CO 0.81 -0.26 1.29 -0.22 -0.31 0.00 0.00 175.10 176.41 1qb1 s LEU 141 N -3.97 4.43 0.09 1.32 2.96 -1.19 -4.83 118.68 117.49 1qb1 s LEU 141 Ca 0.37 2.42 0.06 0.00 -0.22 0.00 0.00 54.13 56.77 1qb1 s LEU 141 Cb -0.08 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1qb1 s LEU 141 CO 0.27 -0.50 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.20 1qb1 s LYS 142 N -0.40 2.32 0.10 1.98 -0.14 -0.86 -1.99 119.74 120.75 1qb1 s LYS 142 Ca 0.55 -0.93 0.08 0.00 -1.36 0.00 0.00 55.97 54.30 1qb1 s LYS 142 Cb -0.36 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.34 1qb1 s LYS 142 CO 0.40 0.53 -0.20 0.00 -0.76 0.00 0.00 175.35 175.31 1qb1 s LEU 144 N -1.91 0.43 -0.13 0.00 2.96 0.10 -0.73 118.68 119.40 1qb1 s LEU 144 Ca 0.06 0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 54.33 1qb1 s LEU 144 Cb -0.10 0.73 -0.05 0.00 0.50 0.00 0.00 46.19 47.28 1qb1 s LEU 144 CO 0.04 -0.16 0.38 -0.54 -1.32 0.00 0.00 176.35 174.74 1qb1 s LYS 145 N 1.24 4.25 -0.10 1.98 3.01 -1.26 -0.63 119.74 128.23 1qb1 s LYS 145 Ca -0.09 0.27 -0.16 0.00 -1.01 0.00 0.00 55.97 54.97 1qb1 s LYS 145 Cb -0.10 -3.41 0.04 0.00 -1.01 0.00 0.00 37.83 33.35 1qb1 s LYS 145 CO -0.08 0.26 0.41 0.00 0.51 0.00 0.00 175.35 176.44 1qb1 s ALA 146 N 0.36 -1.02 0.30 5.17 0.00 0.39 -4.96 121.76 122.01 1qb1 s ALA 146 Ca 0.21 0.91 -0.08 0.00 0.00 0.00 0.00 51.96 53.00 1qb1 s ALA 146 Cb -0.14 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 1qb1 s ALA 146 CO 0.07 -0.24 0.61 -1.25 0.00 0.00 0.00 175.76 174.96 1qb1 s PRO 147 N -0.44 3.73 0.06 0.00 0.04 -1.26 -0.02 135.00 137.10 1qb1 s PRO 147 Ca -0.06 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.90 1qb1 s PRO 147 Cb -0.03 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1qb1 s PRO 147 CO 0.03 0.18 1.08 0.42 0.04 0.00 0.00 177.00 178.74 1qb1 s ILE 148 N -2.08 4.38 0.51 0.56 1.01 -0.42 -1.17 121.20 123.98 1qb1 s ILE 148 Ca 0.47 1.77 -0.04 0.00 0.00 0.00 0.00 60.65 62.85 1qb1 s ILE 148 Cb -0.11 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1qb1 s ILE 148 CO 0.27 0.17 0.78 -0.76 0.00 0.00 0.00 174.94 175.41 1qb1 s LEU 149 N 0.76 3.51 0.67 2.97 1.43 0.08 0.44 118.68 128.55 1qb1 s LEU 149 Ca 0.54 0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 1qb1 s LEU 149 Cb -0.26 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.43 1qb1 s LEU 149 CO 0.29 -0.77 1.11 -0.94 0.23 0.00 0.00 176.35 176.27 1qb1 s SER 150 N -4.20 5.03 0.27 2.29 1.04 -1.26 -4.67 113.70 112.19 1qb1 s SER 150 Ca 0.50 1.99 -0.02 0.00 0.48 0.00 0.00 55.95 58.90 1qb1 s SER 150 Cb -0.10 -2.55 0.41 0.00 0.10 0.00 0.00 66.02 63.88 1qb1 s SER 150 CO 0.43 -1.68 1.89 0.44 0.98 0.00 0.00 173.24 175.29 1qb1 h ASP 151 N -0.08 1.04 -0.65 7.02 5.19 -1.97 -1.35 116.42 125.62 1qb1 h ASP 151 Ca -0.46 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.92 1qb1 h ASP 151 Cb 1.25 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 1qb1 h ASP 151 CO 0.54 0.67 0.29 -1.28 -3.12 0.00 0.00 179.24 176.34 1qb1 h SER 152 N 1.18 0.87 -0.26 6.45 0.87 -1.99 0.21 113.55 120.90 1qb1 h SER 152 Ca 0.42 -0.15 -0.19 0.00 -1.23 0.00 0.00 61.79 60.65 1qb1 h SER 152 Cb 0.14 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1qb1 h SER 152 CO -0.16 0.78 -0.56 0.28 -0.53 0.00 0.00 176.83 176.64 1qb1 h SER 153 N 0.91 0.96 -0.18 6.23 0.02 -1.75 -1.71 113.55 118.03 1qb1 h SER 153 Ca 0.22 -0.52 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1qb1 h SER 153 Cb 0.15 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1qb1 h SER 153 CO -0.02 1.32 0.06 0.00 -1.14 0.00 0.00 176.83 177.04 1qb1 h LYS 155 N 0.15 0.78 -0.51 0.00 1.57 -0.95 -2.08 116.57 115.52 1qb1 h LYS 155 Ca 0.08 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1qb1 h LYS 155 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1qb1 h LYS 155 CO -0.08 0.78 0.05 0.77 -0.57 0.00 0.00 179.45 180.41 1qb1 h SER 156 N 0.73 0.79 -0.15 0.86 0.02 -1.06 -2.47 113.55 112.26 1qb1 h SER 156 Ca 0.14 -0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 1qb1 h SER 156 Cb 0.43 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1qb1 h SER 156 CO 0.02 0.82 -0.42 0.00 -1.14 0.00 0.00 176.83 176.11 1qb1 h ALA 157 N 1.27 0.73 -2.07 3.77 0.00 -0.72 -3.37 119.26 118.87 1qb1 h ALA 157 Ca 0.16 -0.46 -0.56 0.00 0.00 0.00 0.00 54.91 54.05 1qb1 h ALA 157 Cb 0.40 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 17.68 1qb1 h ALA 157 CO 0.01 0.66 -0.95 0.66 0.00 0.00 0.00 179.25 179.64 1qb1 n TYR 158 N -4.03 1.12 -1.70 0.00 4.02 -0.84 -4.95 117.16 110.78 1qb1 n TYR 158 Ca -0.02 -3.79 -0.44 0.00 -0.01 0.00 0.00 57.90 53.64 1qb1 n TYR 158 Cb 0.54 -0.43 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 1qb1 n TYR 158 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1qb1 n PRO 159 N 1.00 2.44 -0.81 -0.72 -0.04 -0.94 -1.74 135.00 134.18 1qb1 n PRO 159 Ca 0.25 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.58 1qb1 n PRO 159 Cb 0.50 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1qb1 n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qb1 n GLY 160 N 3.33 0.55 0.12 0.55 0.00 -1.26 -4.84 105.19 103.64 1qb1 n GLY 160 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1qb1 n GLY 160 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qb1 n GLN 161 N -1.94 1.18 -3.41 1.61 6.02 -0.71 -4.95 117.38 115.18 1qb1 n GLN 161 Ca 0.00 -0.24 -0.39 0.00 -0.01 0.00 0.00 57.00 56.36 1qb1 n GLN 161 Cb 0.02 -1.35 -0.09 0.00 1.02 0.00 0.00 30.24 29.84 1qb1 n GLN 161 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qb1 s ILE 162 N -2.55 5.18 0.52 5.09 -1.09 -1.24 -5.05 121.20 122.06 1qb1 s ILE 162 Ca 0.09 0.50 0.08 0.00 -2.23 0.00 0.00 60.65 59.10 1qb1 s ILE 162 Cb 0.14 -3.69 0.06 0.00 -1.58 0.00 0.00 42.46 37.38 1qb1 s ILE 162 CO 0.67 0.15 0.71 0.42 -1.23 0.00 0.00 174.94 175.66 1qb1 s THR 163 N 2.04 2.51 -0.66 2.92 -4.23 -1.26 -4.98 115.64 111.98 1qb1 s THR 163 Ca 0.14 -0.97 0.15 0.00 -1.18 0.00 0.00 61.69 59.83 1qb1 s THR 163 Cb -0.16 -2.54 0.15 0.00 1.34 0.00 0.00 72.50 71.30 1qb1 s THR 163 CO 0.10 0.00 1.47 -1.54 -0.54 0.00 0.00 174.62 174.11 1qb1 n SER 164 N -2.11 0.32 -1.64 3.99 3.41 -1.26 -2.39 113.62 113.94 1qb1 n SER 164 Ca 0.12 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 1qb1 n SER 164 Cb 0.60 -0.67 0.37 0.00 -0.26 0.00 0.00 64.21 64.25 1qb1 n SER 164 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qb1 n ASN 165 N -1.89 5.15 -4.23 4.04 3.02 -1.26 -4.93 115.26 115.15 1qb1 n ASN 165 Ca 0.01 -2.78 -0.16 0.00 -0.03 0.00 0.00 54.58 51.62 1qb1 n ASN 165 Cb 0.11 -0.63 -0.11 0.00 -0.61 0.00 0.00 39.78 38.55 1qb1 n ASN 165 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1qb1 s MET 166 N -2.47 1.01 0.04 3.52 -1.94 -1.01 -0.97 119.30 117.49 1qb1 s MET 166 Ca 0.51 -1.32 -0.12 0.00 -1.71 0.00 0.00 55.69 53.06 1qb1 s MET 166 Cb 0.38 -0.73 0.01 0.00 2.01 0.00 0.00 34.83 36.50 1qb1 s MET 166 CO 0.18 0.12 0.25 -0.59 -0.01 0.00 0.00 175.02 174.96 1qb1 s PHE 167 N -2.69 -0.03 -0.07 -0.03 -0.12 0.34 -4.81 117.98 110.58 1qb1 s PHE 167 Ca 0.12 -0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.80 1qb1 s PHE 167 Cb -0.01 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1qb1 s PHE 167 CO 0.02 -0.47 0.14 0.00 -0.05 0.00 0.00 175.22 174.85 1qb1 s ALA 169 N -1.13 -0.34 0.00 0.00 0.00 -0.92 -0.74 121.76 118.64 1qb1 s ALA 169 Ca 0.20 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1qb1 s ALA 169 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1qb1 s ALA 169 CO 0.10 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1qb1 n GLY 170 N 1.97 0.56 2.85 0.00 0.00 -0.32 -2.59 105.19 107.65 1qb1 n GLY 170 Ca -0.19 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 43.93 1qb1 n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qb1 s TYR 171 N -2.85 0.73 0.23 1.61 1.51 -1.26 -4.38 117.35 112.94 1qb1 s TYR 171 Ca 0.00 -0.21 0.23 0.00 -1.01 0.00 0.00 57.07 56.08 1qb1 s TYR 171 Cb 0.00 -0.73 1.01 0.00 -0.11 0.00 0.00 41.96 42.13 1qb1 s TYR 171 CO 0.00 -0.25 1.87 -0.07 -1.11 0.00 0.00 175.55 175.99 1qb1 h LEU 172 N 7.64 0.00 0.00 -1.29 3.38 -1.95 -2.46 115.31 120.63 1qb1 h LEU 172 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1qb1 h LEU 172 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1qb1 h LEU 172 CO 0.39 0.24 0.00 -1.84 0.09 0.00 0.00 178.44 177.32 1qb1 n GLU 173 N -3.53 0.27 -0.08 1.13 0.00 -1.26 -0.11 120.64 117.06 1qb1 n GLU 173 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 57.16 57.24 1qb1 n GLU 173 Cb 0.39 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.33 1qb1 n GLU 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qb1 n GLY 174 N 0.72 -2.24 3.04 -1.84 0.00 -0.93 -4.69 105.19 99.26 1qb1 n GLY 174 Ca 0.10 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1qb1 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qb1 n GLY 175 N -1.14 1.18 2.95 -0.02 0.00 0.17 -4.94 105.19 103.39 1qb1 n GLY 175 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1qb1 n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qb1 s LYS 176 N -0.03 0.23 0.09 1.61 1.02 -1.25 -3.57 119.74 117.83 1qb1 s LYS 176 Ca 0.00 0.60 -0.26 0.00 0.02 0.00 0.00 55.97 56.33 1qb1 s LYS 176 Cb 0.00 -0.38 0.09 0.00 -0.52 0.00 0.00 37.83 37.02 1qb1 s LYS 176 CO 0.00 -0.45 1.13 0.34 -0.92 0.00 0.00 175.35 175.45 1qb1 s ASP 177 N 2.45 -0.05 0.62 2.83 3.68 -0.53 -4.25 116.67 121.42 1qb1 s ASP 177 Ca 0.05 -0.40 -0.01 0.00 2.13 0.00 0.00 52.55 54.32 1qb1 s ASP 177 Cb -0.14 0.35 0.06 0.00 -1.45 0.00 0.00 42.92 41.73 1qb1 s ASP 177 CO -0.12 -0.67 0.87 -0.94 0.13 0.00 0.00 175.17 174.45 1qb1 s SER 178 N -3.29 5.00 0.38 -0.34 1.04 -1.26 -0.10 113.70 115.13 1qb1 s SER 178 Ca 0.20 0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.56 1qb1 s SER 178 Cb -0.00 -0.79 0.05 0.00 0.10 0.00 0.00 66.02 65.37 1qb1 s SER 178 CO 0.01 -1.38 0.71 0.00 0.98 0.00 0.00 173.24 173.57 1qb1 n GLN 180 N -0.53 1.44 0.00 0.00 6.02 -1.26 -0.56 117.38 122.49 1qb1 n GLN 180 Ca -0.07 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1qb1 n GLN 180 Cb 0.58 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.76 1qb1 n GLN 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qb1 n GLY 181 N 2.18 2.95 0.07 1.08 0.00 -1.26 -0.49 105.19 109.71 1qb1 n GLY 181 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1qb1 n GLY 181 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qb1 h ASP 182 N 0.16 0.00 -1.41 1.61 3.45 -1.15 -3.32 116.42 115.75 1qb1 h ASP 182 Ca 0.00 -0.21 -0.68 0.00 0.43 0.00 0.00 57.03 56.57 1qb1 h ASP 182 Cb 0.00 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 38.86 1qb1 h ASP 182 CO 0.00 0.11 -0.16 -1.20 -1.57 0.00 0.00 179.24 176.42 1qb1 n SER 183 N -2.15 -0.10 0.00 6.45 7.64 -1.25 -1.72 113.62 122.49 1qb1 n SER 183 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1qb1 n SER 183 Cb 0.45 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1qb1 n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qb1 n GLY 184 N 1.79 2.41 3.85 0.23 0.00 0.12 -0.67 105.19 112.93 1qb1 n GLY 184 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1qb1 n GLY 184 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qb1 s GLY 185 N -2.00 1.66 0.41 -0.02 0.00 -0.70 -3.29 107.32 103.38 1qb1 s GLY 185 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 44.72 43.65 1qb1 s GLY 185 CO 0.00 -0.21 0.93 2.56 0.00 0.00 0.00 173.10 176.38 1qb1 s PRO 186 N -5.61 4.25 -0.30 2.90 0.04 -1.26 -1.24 135.00 133.78 1qb1 s PRO 186 Ca 0.68 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.84 1qb1 s PRO 186 Cb -0.09 -2.28 0.09 0.00 0.04 0.00 0.00 34.50 32.26 1qb1 s PRO 186 CO 0.52 0.03 0.03 0.08 0.04 0.00 0.00 177.00 177.70 1qb1 s VAL 187 N -2.09 1.66 -0.14 -0.36 1.01 -0.47 -3.46 120.40 116.55 1qb1 s VAL 187 Ca 0.60 -1.75 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1qb1 s VAL 187 Cb -0.10 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1qb1 s VAL 187 CO 0.15 -0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 174.02 1qb1 s VAL 188 N 1.25 3.62 -0.08 2.92 1.01 -0.27 -0.34 120.40 128.50 1qb1 s VAL 188 Ca 0.06 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1qb1 s VAL 188 Cb -0.18 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1qb1 s VAL 188 CO -0.13 0.52 -0.04 0.00 0.00 0.00 0.00 175.10 175.45 1qb1 n SER 190 N 4.82 -1.61 -0.25 0.00 7.64 -1.26 -1.40 113.62 121.56 1qb1 n SER 190 Ca -0.13 -1.05 -0.03 0.00 1.01 0.00 0.00 58.87 58.67 1qb1 n SER 190 Cb 0.50 -2.90 -0.01 0.00 -1.01 0.00 0.00 64.21 60.79 1qb1 n SER 190 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qb1 n GLY 191 N -1.97 0.49 3.24 0.23 0.00 -1.26 -5.00 105.19 100.91 1qb1 n GLY 191 Ca -0.25 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1qb1 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qb1 s LYS 192 N -1.71 1.19 -0.60 1.61 -0.14 -0.49 -4.00 119.74 115.60 1qb1 s LYS 192 Ca 0.00 -0.97 -0.28 0.00 -1.36 0.00 0.00 55.97 53.36 1qb1 s LYS 192 Cb 0.00 -1.33 0.02 0.00 -1.68 0.00 0.00 37.83 34.84 1qb1 s LYS 192 CO 0.00 0.33 1.34 -1.17 -0.76 0.00 0.00 175.35 175.09 1qb1 s LEU 193 N -1.42 3.37 -0.09 3.17 2.96 -0.09 -0.21 118.68 126.37 1qb1 s LEU 193 Ca 0.06 0.11 0.17 0.00 -0.22 0.00 0.00 54.13 54.25 1qb1 s LEU 193 Cb -0.09 -2.98 -0.24 0.00 0.50 0.00 0.00 46.19 43.38 1qb1 s LEU 193 CO 0.02 -1.69 0.39 0.00 -1.32 0.00 0.00 176.35 173.75 1qb1 n GLN 194 N 8.74 0.66 -4.03 1.98 1.13 0.53 -4.07 117.38 122.33 1qb1 n GLN 194 Ca 0.10 0.07 -0.10 0.00 -1.94 0.00 0.00 57.00 55.13 1qb1 n GLN 194 Cb 0.49 -1.63 -0.08 0.00 0.11 0.00 0.00 30.24 29.13 1qb1 n GLN 194 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1qb1 s GLY 195 N -5.15 0.65 -0.09 1.08 0.00 -0.90 -1.79 107.32 101.12 1qb1 s GLY 195 Ca -0.07 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.58 1qb1 s GLY 195 CO 0.84 -1.04 -0.17 -0.42 0.00 0.00 0.00 173.10 172.31 1qb1 s ILE 196 N -3.99 1.52 0.04 0.90 1.01 -1.03 -1.37 121.20 118.29 1qb1 s ILE 196 Ca 0.19 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 1qb1 s ILE 196 Cb 0.05 -1.36 -0.09 0.00 0.01 0.00 0.00 42.46 41.07 1qb1 s ILE 196 CO 0.00 0.44 1.96 -0.69 0.00 0.00 0.00 174.94 176.65 1qb1 s VAL 197 N 0.66 2.98 0.00 2.92 1.01 -0.38 -1.15 120.40 126.45 1qb1 s VAL 197 Ca -0.14 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1qb1 s VAL 197 Cb -0.16 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1qb1 s VAL 197 CO 0.04 -0.00 -0.01 -0.24 0.00 0.00 0.00 175.10 174.89 1qb1 n SER 198 N 7.40 0.11 -2.74 3.32 2.88 -0.89 -0.70 113.62 123.01 1qb1 n SER 198 Ca 0.20 0.02 -0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1qb1 n SER 198 Cb 0.41 -0.11 0.01 0.00 -0.75 0.00 0.00 64.21 63.77 1qb1 n SER 198 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1qb1 n TRP 199 N -2.60 -2.04 0.00 0.66 4.27 -0.79 -4.89 117.44 112.04 1qb1 n TRP 199 Ca -0.00 -1.89 0.00 0.00 -3.89 0.00 0.00 57.50 51.72 1qb1 n TRP 199 Cb 0.01 0.77 0.00 0.00 -1.36 0.00 0.00 31.31 30.73 1qb1 n TRP 199 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1qb1 n GLY 200 N -0.52 0.46 3.39 -1.67 0.00 -1.26 -0.21 105.19 105.39 1qb1 n GLY 200 Ca -0.06 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 1qb1 n GLY 200 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qb1 s SER 201 N 0.00 6.19 0.30 1.61 0.15 -1.26 -4.87 113.70 115.82 1qb1 s SER 201 Ca 0.00 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1qb1 s SER 201 Cb 0.00 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1qb1 s SER 201 CO 0.00 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1qb1 n GLY 202 N 5.23 -0.26 2.95 9.45 0.00 -1.26 -4.69 105.19 116.61 1qb1 n GLY 202 Ca -0.09 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1qb1 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qb1 n ALA 204 N 3.89 -0.62 -1.84 0.00 0.00 -1.26 -4.69 120.51 115.99 1qb1 n ALA 204 Ca -0.23 0.16 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1qb1 n ALA 204 Cb 0.54 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 1qb1 n ALA 204 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qb1 s GLN 205 N -4.71 4.45 0.33 0.00 -1.52 -1.26 0.42 119.66 117.37 1qb1 s GLN 205 Ca 0.00 1.20 -0.29 0.00 -1.95 0.00 0.00 55.36 54.32 1qb1 s GLN 205 Cb 0.00 -2.67 -0.11 0.00 -0.22 0.00 0.00 33.01 30.01 1qb1 s GLN 205 CO 0.00 0.23 1.50 0.21 -0.25 0.00 0.00 175.29 176.98 1qb1 s LYS 206 N -2.31 4.15 -1.25 2.91 2.20 -1.26 -2.37 119.74 121.82 1qb1 s LYS 206 Ca 0.52 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.64 1qb1 s LYS 206 Cb -0.16 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1qb1 s LYS 206 CO 0.21 -0.52 0.00 0.09 -0.36 0.00 0.00 175.35 174.77 1qb1 n ASN 207 N 1.31 -4.98 -3.47 1.43 3.02 0.84 -4.92 115.26 108.49 1qb1 n ASN 207 Ca 0.04 0.29 -0.27 0.00 -0.03 0.00 0.00 54.58 54.61 1qb1 n ASN 207 Cb 0.39 -3.52 -0.10 0.00 -0.61 0.00 0.00 39.78 35.94 1qb1 n ASN 207 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qb1 s LYS 208 N -2.87 1.09 0.86 3.52 -0.14 -1.00 -4.77 119.74 116.43 1qb1 s LYS 208 Ca 0.00 -2.23 -0.12 0.00 -1.36 0.00 0.00 55.97 52.26 1qb1 s LYS 208 Cb 0.00 -1.68 0.10 0.00 -1.68 0.00 0.00 37.83 34.57 1qb1 s LYS 208 CO 0.00 -1.36 1.13 -1.25 -0.76 0.00 0.00 175.35 173.11 1qb1 s PRO 209 N -0.08 1.60 0.56 -1.68 0.04 -1.26 -4.32 135.00 129.86 1qb1 s PRO 209 Ca 0.31 0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.54 1qb1 s PRO 209 Cb 0.01 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1qb1 s PRO 209 CO -0.18 -1.89 1.05 0.20 0.04 0.00 0.00 177.00 176.21 1qb1 s GLY 210 N -4.10 2.21 -0.10 0.56 0.00 -1.07 -4.60 107.32 100.23 1qb1 s GLY 210 Ca 0.62 0.42 0.02 0.00 0.00 0.00 0.00 44.72 45.79 1qb1 s GLY 210 CO 0.53 0.74 -0.18 0.14 0.00 0.00 0.00 173.10 174.33 1qb1 s VAL 211 N -2.36 2.65 0.01 1.40 1.01 0.70 -2.16 120.40 121.66 1qb1 s VAL 211 Ca 0.64 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1qb1 s VAL 211 Cb -0.15 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1qb1 s VAL 211 CO 0.32 0.55 -0.14 -0.31 0.00 0.00 0.00 175.10 175.52 1qb1 s TYR 212 N 0.13 1.24 0.12 5.22 2.02 0.06 -1.89 117.35 124.26 1qb1 s TYR 212 Ca -0.09 -0.28 -0.31 0.00 -0.37 0.00 0.00 57.07 56.02 1qb1 s TYR 212 Cb -0.15 -0.78 -0.08 0.00 -0.40 0.00 0.00 41.96 40.55 1qb1 s TYR 212 CO 0.06 0.00 1.42 0.99 -1.57 0.00 0.00 175.55 176.45 1qb1 s THR 213 N -0.52 3.19 -0.91 -0.71 2.01 -0.30 -0.50 115.64 117.90 1qb1 s THR 213 Ca 0.04 0.85 -0.21 0.00 0.31 0.00 0.00 61.69 62.68 1qb1 s THR 213 Cb -0.06 -3.54 0.09 0.00 0.01 0.00 0.00 72.50 69.00 1qb1 s THR 213 CO 0.00 0.06 1.21 -0.75 -0.69 0.00 0.00 174.62 174.46 1qb1 s LYS 214 N 1.14 3.50 0.39 4.92 2.20 -0.15 -2.46 119.74 129.30 1qb1 s LYS 214 Ca 0.66 -1.35 0.11 0.00 -0.36 0.00 0.00 55.97 55.03 1qb1 s LYS 214 Cb -0.38 -4.92 0.91 0.00 -1.51 0.00 0.00 37.83 31.93 1qb1 s LYS 214 CO 0.30 -1.94 1.93 0.28 -0.36 0.00 0.00 175.35 175.57 1qb1 h VAL 215 N 6.17 0.89 -0.09 4.02 2.07 -1.66 -1.84 116.25 125.80 1qb1 h VAL 215 Ca 0.08 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1qb1 h VAL 215 Cb 1.03 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1qb1 h VAL 215 CO 1.23 0.10 0.12 0.00 0.02 0.00 0.00 177.57 179.04 1qb1 n ASN 217 N -3.64 0.00 -0.25 0.00 3.02 -0.69 -3.75 115.26 109.95 1qb1 n ASN 217 Ca -0.01 0.27 0.03 0.00 -0.03 0.00 0.00 54.58 54.84 1qb1 n ASN 217 Cb 0.22 -0.41 0.04 0.00 -0.61 0.00 0.00 39.78 39.02 1qb1 n ASN 217 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1qb1 n TYR 218 N -1.41 0.08 -0.05 3.10 4.01 0.56 -4.79 117.16 118.65 1qb1 n TYR 218 Ca 0.08 -0.19 -0.08 0.00 -0.16 0.00 0.00 57.90 57.56 1qb1 n TYR 218 Cb 0.25 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1qb1 n TYR 218 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1qb1 h VAL 219 N 1.01 0.39 -0.85 -0.72 2.07 -1.63 0.18 116.25 116.71 1qb1 h VAL 219 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1qb1 h VAL 219 Cb 0.37 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1qb1 h VAL 219 CO 0.00 0.00 0.53 0.28 0.02 0.00 0.00 177.57 178.40 1qb1 h SER 220 N -0.24 0.86 -0.33 0.57 0.02 -1.88 -0.97 113.55 111.58 1qb1 h SER 220 Ca 0.14 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1qb1 h SER 220 Cb 0.46 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1qb1 h SER 220 CO -0.39 0.57 0.10 -0.25 -1.14 0.00 0.00 176.83 175.71 1qb1 h TRP 221 N 1.00 0.54 0.19 3.45 7.01 -1.69 -0.71 115.95 125.74 1qb1 h TRP 221 Ca 0.36 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.31 1qb1 h TRP 221 Cb 0.11 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 1qb1 h TRP 221 CO -0.03 0.54 -0.23 0.82 -2.79 0.00 0.00 178.44 176.75 1qb1 h ILE 222 N 0.38 0.50 -0.22 2.65 2.04 -0.24 -0.51 117.51 122.11 1qb1 h ILE 222 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1qb1 h ILE 222 Cb 0.26 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1qb1 h ILE 222 CO -0.00 0.00 0.01 0.11 0.00 0.00 0.00 178.15 178.27 1qb1 h LYS 223 N -0.46 0.08 -0.73 2.37 1.57 -1.10 -0.52 116.57 117.77 1qb1 h LYS 223 Ca 0.01 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qb1 h LYS 223 Cb 0.45 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1qb1 h LYS 223 CO -0.08 0.05 0.45 1.96 -0.57 0.00 0.00 179.45 181.27 1qb1 h GLN 224 N 0.08 0.99 -0.31 3.15 4.20 -1.04 -1.34 115.11 120.84 1qb1 h GLN 224 Ca 0.10 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 1qb1 h GLN 224 Cb 0.13 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1qb1 h GLN 224 CO -0.17 0.69 -0.06 1.15 -0.67 0.00 0.00 178.83 179.76 1qb1 h THR 225 N 1.00 1.28 -0.60 -0.54 2.02 -0.81 -2.79 112.91 112.47 1qb1 h THR 225 Ca 0.26 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 1qb1 h THR 225 Cb -0.06 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1qb1 h THR 225 CO -0.05 0.35 0.19 0.40 0.37 0.00 0.00 175.52 176.78 1qb1 h ILE 226 N 0.36 1.24 -0.51 3.11 2.04 -0.98 -2.75 117.51 120.02 1qb1 h ILE 226 Ca 0.08 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.15 1qb1 h ILE 226 Cb 0.55 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1qb1 h ILE 226 CO 0.03 0.31 0.34 0.00 0.00 0.00 0.00 178.15 178.84 1qb1 h ALA 227 N 1.06 1.79 -0.23 1.87 0.00 -1.15 -2.35 119.26 120.24 1qb1 h ALA 227 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1qb1 h ALA 227 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qb1 h ALA 227 CO -0.01 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 1qb1 n SER 228 N -4.47 2.66 0.00 0.00 3.41 -1.06 -5.11 113.62 109.04 1qb1 n SER 228 Ca 0.06 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 1qb1 n SER 228 Cb 0.17 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1qb1 n SER 228 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47