#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qf3 s GLU 2 N 0.00 2.78 -0.07 0.00 2.12 0.19 -4.93 118.70 118.79 1qf3 s GLU 2 Ca 0.00 -1.08 0.05 0.00 0.36 0.00 0.00 54.97 54.30 1qf3 s GLU 2 Cb 0.00 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1qf3 s GLU 2 CO 0.00 -0.63 -0.24 0.99 -0.54 0.00 0.00 175.26 174.83 1qf3 s THR 3 N 1.47 2.03 -0.13 -1.70 2.01 -1.26 -0.68 115.64 117.38 1qf3 s THR 3 Ca 0.00 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1qf3 s THR 3 Cb -0.19 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.60 1qf3 s THR 3 CO 0.04 0.56 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.63 1qf3 s VAL 4 N -0.01 2.02 -0.11 3.82 1.01 -0.75 -4.98 120.40 121.42 1qf3 s VAL 4 Ca -0.08 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 1qf3 s VAL 4 Cb -0.15 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.47 1qf3 s VAL 4 CO 0.05 0.54 0.29 -0.94 0.00 0.00 0.00 175.10 175.05 1qf3 s SER 5 N 0.77 -0.30 0.11 3.32 1.04 -1.26 -1.16 113.70 116.22 1qf3 s SER 5 Ca -0.08 0.58 -0.12 0.00 0.48 0.00 0.00 55.95 56.82 1qf3 s SER 5 Cb -0.16 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1qf3 s SER 5 CO -0.01 -0.11 0.28 0.72 0.98 0.00 0.00 173.24 175.11 1qf3 s PHE 6 N 0.14 0.05 -0.08 5.02 -0.12 -0.57 -5.00 117.98 117.42 1qf3 s PHE 6 Ca -0.00 -0.43 -0.03 0.00 -0.05 0.00 0.00 56.93 56.41 1qf3 s PHE 6 Cb -0.02 0.07 0.04 0.00 -0.63 0.00 0.00 43.02 42.48 1qf3 s PHE 6 CO 0.00 -0.63 0.16 1.21 -0.05 0.00 0.00 175.22 175.91 1qf3 s ASN 7 N -2.85 0.22 -0.28 1.98 2.47 -1.26 -1.12 114.94 114.09 1qf3 s ASN 7 Ca 0.06 0.34 0.03 0.00 0.42 0.00 0.00 52.86 53.71 1qf3 s ASN 7 Cb 0.03 0.26 0.07 0.00 -1.45 0.00 0.00 41.25 40.16 1qf3 s ASN 7 CO -0.10 -0.19 -0.05 -0.36 -3.72 0.00 0.00 177.10 172.68 1qf3 s PHE 8 N 1.65 3.38 -0.07 0.43 0.08 0.94 -4.94 117.98 119.45 1qf3 s PHE 8 Ca -0.04 -2.52 0.14 0.00 0.12 0.00 0.00 56.93 54.63 1qf3 s PHE 8 Cb -0.12 -2.23 -0.15 0.00 -0.57 0.00 0.00 43.02 39.96 1qf3 s PHE 8 CO -0.06 -0.90 0.93 -0.91 -0.10 0.00 0.00 175.22 174.18 1qf3 h ASN 9 N 7.73 0.00 -4.71 1.36 2.35 -1.86 -1.28 115.58 119.17 1qf3 h ASN 9 Ca -0.14 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.51 1qf3 h ASN 9 Cb 1.03 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.20 1qf3 h ASN 9 CO 0.48 0.75 -0.10 -0.94 -1.65 0.00 0.00 177.43 175.97 1qf3 s SER 10 N -6.10 -0.42 0.17 5.81 1.04 -1.26 -4.67 113.70 108.27 1qf3 s SER 10 Ca -0.02 0.51 0.06 0.00 0.48 0.00 0.00 55.95 56.98 1qf3 s SER 10 Cb 0.08 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 1qf3 s SER 10 CO 0.81 -0.43 0.08 -0.36 0.98 0.00 0.00 173.24 174.32 1qf3 s PHE 11 N -0.87 3.03 -0.03 5.02 0.40 0.16 -5.05 117.98 120.64 1qf3 s PHE 11 Ca -0.09 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1qf3 s PHE 11 Cb -0.03 -1.46 0.01 0.00 0.51 0.00 0.00 43.02 42.04 1qf3 s PHE 11 CO 0.05 0.52 0.11 -1.54 0.70 0.00 0.00 175.22 175.06 1qf3 s SER 12 N -3.02 -0.08 0.02 1.36 1.04 -1.26 -4.49 113.70 107.27 1qf3 s SER 12 Ca 0.30 0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.56 1qf3 s SER 12 Cb -0.10 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 1qf3 s SER 12 CO 0.21 -0.09 1.10 -1.83 0.98 0.00 0.00 173.24 173.61 1qf3 s GLU 13 N -0.19 4.48 0.00 4.02 -1.05 -1.26 -3.17 118.70 121.53 1qf3 s GLU 13 Ca -0.03 1.60 0.00 0.00 -0.15 0.00 0.00 54.97 56.39 1qf3 s GLU 13 Cb -0.02 -3.42 0.00 0.00 -0.44 0.00 0.00 34.13 30.25 1qf3 s GLU 13 CO 0.00 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.44 1qf3 n GLY 14 N 3.08 1.19 3.64 -3.83 0.00 -1.26 -5.07 105.19 102.94 1qf3 n GLY 14 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1qf3 n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qf3 s ASN 15 N -1.99 6.90 0.09 1.61 3.04 -1.19 -4.90 114.94 118.49 1qf3 s ASN 15 Ca 0.00 1.10 0.07 0.00 0.04 0.00 0.00 52.86 54.07 1qf3 s ASN 15 Cb 0.00 -2.54 0.36 0.00 -1.54 0.00 0.00 41.25 37.53 1qf3 s ASN 15 CO 0.00 -0.90 1.21 -0.81 -3.04 0.00 0.00 177.10 173.56 1qf3 n PRO 16 N 6.92 0.04 0.01 0.43 -0.04 -1.26 -1.95 135.00 139.15 1qf3 n PRO 16 Ca 0.12 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 1qf3 n PRO 16 Cb 0.47 -1.63 0.45 0.00 -0.04 0.00 0.00 33.50 32.75 1qf3 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qf3 n ALA 17 N -1.58 2.78 -2.37 0.55 0.00 -1.26 -4.75 120.51 113.89 1qf3 n ALA 17 Ca -0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 1qf3 n ALA 17 Cb 0.02 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 17.99 1qf3 n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qf3 s ILE 18 N -3.02 2.41 -0.20 0.00 1.01 -0.82 -0.21 121.20 120.36 1qf3 s ILE 18 Ca 0.12 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1qf3 s ILE 18 Cb 0.18 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1qf3 s ILE 18 CO 0.61 0.56 -0.06 0.20 0.00 0.00 0.00 174.94 176.25 1qf3 s ASN 19 N -0.72 4.25 -0.14 3.58 0.02 0.03 -4.76 114.94 117.19 1qf3 s ASN 19 Ca 0.11 -0.37 -0.06 0.00 -1.02 0.00 0.00 52.86 51.51 1qf3 s ASN 19 Cb -0.10 -1.71 -0.04 0.00 0.02 0.00 0.00 41.25 39.42 1qf3 s ASN 19 CO -0.00 0.02 0.07 -0.36 0.02 0.00 0.00 177.10 176.86 1qf3 s PHE 20 N 1.23 3.34 -0.04 2.20 0.40 -1.26 -0.66 117.98 123.19 1qf3 s PHE 20 Ca 0.03 0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 1qf3 s PHE 20 Cb -0.14 -1.97 0.02 0.00 0.51 0.00 0.00 43.02 41.43 1qf3 s PHE 20 CO -0.02 0.42 -0.07 -0.65 0.70 0.00 0.00 175.22 175.60 1qf3 s GLN 21 N -0.36 0.98 2.48 0.44 -0.21 0.35 -5.01 119.66 118.33 1qf3 s GLN 21 Ca 0.09 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1qf3 s GLN 21 Cb -0.12 -0.91 0.00 0.00 1.00 0.00 0.00 33.01 32.98 1qf3 s GLN 21 CO 0.02 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.59 1qf3 n GLY 22 N 3.78 -0.29 0.53 3.09 0.00 -1.26 -0.15 105.19 110.89 1qf3 n GLY 22 Ca -0.23 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1qf3 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qf3 n ASP 23 N 0.97 0.99 -4.76 1.61 8.00 0.31 -4.90 116.55 118.77 1qf3 n ASP 23 Ca 0.00 -1.74 -0.39 0.00 0.71 0.00 0.00 54.79 53.37 1qf3 n ASP 23 Cb 0.00 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.67 1qf3 n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qf3 s VAL 24 N -0.92 2.49 -0.03 2.53 1.01 -1.23 -4.24 120.40 120.00 1qf3 s VAL 24 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 1qf3 s VAL 24 Cb 0.00 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.17 1qf3 s VAL 24 CO 0.00 0.03 0.22 0.28 0.00 0.00 0.00 175.10 175.63 1qf3 s THR 25 N -1.31 0.05 -0.36 3.92 -1.32 -0.31 -4.99 115.64 111.31 1qf3 s THR 25 Ca 0.62 -0.39 -0.09 0.00 -1.21 0.00 0.00 61.69 60.62 1qf3 s THR 25 Cb -0.38 -0.45 0.03 0.00 -1.51 0.00 0.00 72.50 70.20 1qf3 s THR 25 CO 0.47 -0.22 0.16 -0.69 -2.21 0.00 0.00 174.62 172.13 1qf3 s VAL 26 N -0.84 4.18 0.95 5.08 1.01 -1.26 -0.40 120.40 129.12 1qf3 s VAL 26 Ca -0.09 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1qf3 s VAL 26 Cb -0.05 -3.35 0.16 0.00 0.00 0.00 0.00 36.38 33.14 1qf3 s VAL 26 CO 0.02 -0.20 1.09 -0.76 0.00 0.00 0.00 175.10 175.24 1qf3 s LEU 27 N 1.48 2.04 0.59 3.92 1.43 -0.06 -4.93 118.68 123.16 1qf3 s LEU 27 Ca 0.00 1.54 0.37 0.00 -1.03 0.00 0.00 54.13 55.01 1qf3 s LEU 27 Cb -0.19 -3.85 1.78 0.00 0.03 0.00 0.00 46.19 43.95 1qf3 s LEU 27 CO 0.05 -2.97 2.14 0.77 0.23 0.00 0.00 176.35 176.57 1qf3 h SER 28 N -1.78 0.00 -0.06 2.29 4.64 -1.98 -2.25 113.55 114.41 1qf3 h SER 28 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1qf3 h SER 28 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1qf3 h SER 28 CO 0.53 0.02 0.00 -0.46 -0.87 0.00 0.00 176.83 176.05 1qf3 n ASN 29 N -3.15 1.20 0.00 4.97 0.23 -1.26 -4.91 115.26 112.33 1qf3 n ASN 29 Ca -0.01 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 1qf3 n ASN 29 Cb 0.21 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1qf3 n ASN 29 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qf3 n GLY 30 N 1.10 0.81 3.83 4.83 0.00 -0.85 -4.93 105.19 109.98 1qf3 n GLY 30 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1qf3 n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qf3 s ASN 31 N -2.62 5.24 -0.15 1.61 0.02 -1.26 -0.66 114.94 117.12 1qf3 s ASN 31 Ca 0.00 1.40 -0.02 0.00 -1.02 0.00 0.00 52.86 53.23 1qf3 s ASN 31 Cb 0.00 -2.25 -0.02 0.00 0.02 0.00 0.00 41.25 39.00 1qf3 s ASN 31 CO 0.00 -1.50 -0.09 -0.63 0.02 0.00 0.00 177.10 174.90 1qf3 s ILE 32 N -3.16 3.37 -0.26 0.60 1.01 -0.85 -0.88 121.20 121.04 1qf3 s ILE 32 Ca 0.58 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1qf3 s ILE 32 Cb -0.13 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1qf3 s ILE 32 CO 0.54 0.50 0.09 -1.58 0.00 0.00 0.00 174.94 174.49 1qf3 s GLN 33 N 0.49 3.63 0.13 2.79 0.74 0.47 -1.44 119.66 126.46 1qf3 s GLN 33 Ca -0.07 -0.50 -0.04 0.00 0.05 0.00 0.00 55.36 54.81 1qf3 s GLN 33 Cb -0.15 -3.37 -0.11 0.00 1.10 0.00 0.00 33.01 30.48 1qf3 s GLN 33 CO 0.04 -0.22 1.29 -0.07 -0.55 0.00 0.00 175.29 175.78 1qf3 h LEU 34 N 8.26 0.49 -9.54 3.68 3.38 -1.47 -0.82 115.31 119.29 1qf3 h LEU 34 Ca -0.37 -0.41 -0.59 0.00 0.09 0.00 0.00 57.88 56.60 1qf3 h LEU 34 Cb 1.17 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.66 1qf3 h LEU 34 CO 0.58 1.22 -0.64 0.42 0.09 0.00 0.00 178.44 180.11 1qf3 s THR 35 N -3.19 2.68 -0.30 0.22 -4.23 -1.26 -3.03 115.64 106.53 1qf3 s THR 35 Ca -0.05 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.30 1qf3 s THR 35 Cb 0.09 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1qf3 s THR 35 CO 0.87 -0.24 0.24 0.21 -0.54 0.00 0.00 174.62 175.15 1qf3 s ASN 36 N -3.68 6.07 0.35 3.99 3.84 -1.26 -4.90 114.94 119.35 1qf3 s ASN 36 Ca 0.34 -0.10 0.25 0.00 0.21 0.00 0.00 52.86 53.56 1qf3 s ASN 36 Cb -0.01 -2.14 1.26 0.00 -0.55 0.00 0.00 41.25 39.81 1qf3 s ASN 36 CO 0.19 -0.14 1.76 -0.07 -2.79 0.00 0.00 177.10 176.04 1qf3 h LEU 37 N 8.46 0.00 -2.67 3.21 4.07 -1.96 -2.85 115.31 123.57 1qf3 h LEU 37 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1qf3 h LEU 37 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 1qf3 h LEU 37 CO 0.60 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 178.55 1qf3 n ASN 38 N -2.37 3.17 -4.50 -0.43 3.02 -1.26 -4.99 115.26 107.91 1qf3 n ASN 38 Ca -0.01 -1.95 -0.32 0.00 -0.03 0.00 0.00 54.58 52.27 1qf3 n ASN 38 Cb 0.09 -0.28 -0.12 0.00 -0.61 0.00 0.00 39.78 38.86 1qf3 n ASN 38 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qf3 s LYS 39 N -1.04 2.37 0.29 3.52 1.02 -1.08 -5.11 119.74 119.71 1qf3 s LYS 39 Ca 0.31 -0.80 -0.28 0.00 0.02 0.00 0.00 55.97 55.22 1qf3 s LYS 39 Cb 0.16 -2.34 -0.09 0.00 -0.52 0.00 0.00 37.83 35.04 1qf3 s LYS 39 CO 0.22 0.59 1.02 0.08 -0.92 0.00 0.00 175.35 176.34 1qf3 s VAL 40 N -0.85 3.82 -1.61 3.17 1.01 -1.26 -3.59 120.40 121.07 1qf3 s VAL 40 Ca 0.14 1.71 -0.13 0.00 0.00 0.00 0.00 61.98 63.70 1qf3 s VAL 40 Cb -0.11 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.34 1qf3 s VAL 40 CO 0.04 0.32 0.68 0.59 0.00 0.00 0.00 175.10 176.73 1qf3 n ASN 41 N 1.01 -2.52 -4.76 3.32 5.03 -1.14 -4.89 115.26 111.32 1qf3 n ASN 41 Ca -0.00 -1.00 -0.38 0.00 0.87 0.00 0.00 54.58 54.06 1qf3 n ASN 41 Cb 0.47 -2.87 0.03 0.00 -1.02 0.00 0.00 39.78 36.39 1qf3 n ASN 41 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1qf3 s SER 42 N -3.60 5.52 -0.10 6.41 0.15 -1.24 -4.27 113.70 116.58 1qf3 s SER 42 Ca 0.53 2.70 -0.06 0.00 0.70 0.00 0.00 55.95 59.82 1qf3 s SER 42 Cb -0.29 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 61.43 1qf3 s SER 42 CO 0.91 -1.40 0.24 -0.69 1.20 0.00 0.00 173.24 173.50 1qf3 s VAL 43 N -1.33 -0.03 -0.02 4.45 1.01 -1.26 -1.85 120.40 121.37 1qf3 s VAL 43 Ca 0.69 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1qf3 s VAL 43 Cb -0.39 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1qf3 s VAL 43 CO 0.47 0.04 0.05 -0.83 0.00 0.00 0.00 175.10 174.82 1qf3 s GLY 44 N 0.90 -0.01 0.00 4.51 0.00 -0.91 -0.53 107.32 111.29 1qf3 s GLY 44 Ca -0.06 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 1qf3 s GLY 44 CO -0.06 0.26 0.00 0.50 0.00 0.00 0.00 173.10 173.81 1qf3 s ARG 45 N 0.27 0.14 -0.05 2.90 0.52 0.79 -1.55 118.95 121.97 1qf3 s ARG 45 Ca -0.02 -0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.00 1qf3 s ARG 45 Cb -0.03 0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.50 1qf3 s ARG 45 CO -0.01 -0.02 -0.13 0.54 0.02 0.00 0.00 175.30 175.70 1qf3 s VAL 46 N -0.57 1.12 0.13 3.52 0.11 -0.58 -0.49 120.40 123.64 1qf3 s VAL 46 Ca -0.06 -0.51 0.06 0.00 -2.93 0.00 0.00 61.98 58.54 1qf3 s VAL 46 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1qf3 s VAL 46 CO -0.00 0.34 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.20 1qf3 s LEU 47 N 0.39 2.41 -0.31 2.54 1.43 0.17 -1.42 118.68 123.89 1qf3 s LEU 47 Ca -0.09 -0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 51.90 1qf3 s LEU 47 Cb -0.13 -0.60 0.02 0.00 0.03 0.00 0.00 46.19 45.51 1qf3 s LEU 47 CO 0.02 -0.13 1.06 -0.47 0.23 0.00 0.00 176.35 177.07 1qf3 s TYR 48 N -2.13 3.17 0.24 0.29 5.04 -0.16 -0.79 117.35 123.01 1qf3 s TYR 48 Ca 0.10 1.21 -0.13 0.00 -2.44 0.00 0.00 57.07 55.81 1qf3 s TYR 48 Cb -0.05 -3.63 0.32 0.00 0.35 0.00 0.00 41.96 38.95 1qf3 s TYR 48 CO 0.04 -0.73 1.57 0.00 -1.34 0.00 0.00 175.55 175.09 1qf3 h ALA 49 N 8.03 0.40 -2.56 3.97 0.00 -0.89 -3.42 119.26 124.78 1qf3 h ALA 49 Ca -0.20 0.31 -0.53 0.00 0.00 0.00 0.00 54.91 54.48 1qf3 h ALA 49 Cb 1.06 0.78 0.01 0.00 0.00 0.00 0.00 17.79 19.64 1qf3 h ALA 49 CO 1.02 -0.49 0.54 1.41 0.00 0.00 0.00 179.25 181.73 1qf3 s MET 50 N -6.14 4.48 0.18 0.00 0.00 -1.26 -5.00 119.30 111.56 1qf3 s MET 50 Ca -0.14 1.78 -0.30 0.00 0.00 0.00 0.00 55.69 57.02 1qf3 s MET 50 Cb 0.22 -3.31 -0.08 0.00 0.00 0.00 0.00 34.83 31.67 1qf3 s MET 50 CO 0.74 -0.14 1.06 -1.25 0.00 0.00 0.00 175.02 175.43 1qf3 s PRO 51 N 0.43 4.64 -0.13 4.11 0.04 -1.26 -4.83 135.00 138.01 1qf3 s PRO 51 Ca 0.55 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 1qf3 s PRO 51 Cb -0.30 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1qf3 s PRO 51 CO 0.32 0.16 0.15 0.08 0.04 0.00 0.00 177.00 177.75 1qf3 s VAL 52 N -0.35 5.48 -0.61 -0.36 1.01 0.45 -4.86 120.40 121.15 1qf3 s VAL 52 Ca 0.48 0.23 -0.21 0.00 0.00 0.00 0.00 61.98 62.48 1qf3 s VAL 52 Cb -0.28 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 32.76 1qf3 s VAL 52 CO 0.34 0.60 0.83 -0.60 0.00 0.00 0.00 175.10 176.27 1qf3 s ARG 53 N -0.87 3.10 0.13 2.72 3.52 -1.26 -0.91 118.95 125.38 1qf3 s ARG 53 Ca 0.14 -1.00 0.26 0.00 -0.13 0.00 0.00 55.73 55.00 1qf3 s ARG 53 Cb -0.12 -4.22 0.66 0.00 -1.56 0.00 0.00 34.95 29.71 1qf3 s ARG 53 CO 0.04 -1.63 1.59 0.44 -0.81 0.00 0.00 175.30 174.92 1qf3 n ILE 54 N 5.76 0.37 -3.50 4.11 -5.35 -0.37 -4.85 119.36 115.52 1qf3 n ILE 54 Ca -0.06 -0.21 -0.16 0.00 -0.27 0.00 0.00 62.75 62.05 1qf3 n ILE 54 Cb 0.44 -0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 37.98 1qf3 n ILE 54 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1qf3 s TRP 55 N -3.10 -0.59 -0.14 4.28 1.48 -1.24 -0.35 118.94 119.28 1qf3 s TRP 55 Ca 0.09 0.79 0.01 0.00 -1.06 0.00 0.00 56.10 55.94 1qf3 s TRP 55 Cb 0.14 0.44 -0.00 0.00 -1.16 0.00 0.00 33.47 32.89 1qf3 s TRP 55 CO 0.65 -0.68 -0.17 0.45 -4.06 0.00 0.00 176.95 173.14 1qf3 s SER 56 N -1.75 3.61 0.46 -2.66 0.15 -0.67 -4.66 113.70 108.17 1qf3 s SER 56 Ca -0.07 -0.46 0.26 0.00 0.70 0.00 0.00 55.95 56.38 1qf3 s SER 56 Cb -0.00 -1.54 0.87 0.00 -1.71 0.00 0.00 66.02 63.64 1qf3 s SER 56 CO 0.02 0.12 1.80 0.77 1.20 0.00 0.00 173.24 177.15 1qf3 h SER 57 N 7.01 0.00 0.23 5.45 4.64 -1.95 0.34 113.55 129.27 1qf3 h SER 57 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1qf3 h SER 57 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1qf3 h SER 57 CO 0.54 0.15 -0.11 0.00 -0.87 0.00 0.00 176.83 176.55 1qf3 h ALA 58 N 1.85 -0.30 0.06 5.18 0.00 -1.98 -3.39 119.26 120.67 1qf3 h ALA 58 Ca -0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 1qf3 h ALA 58 Cb 0.78 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1qf3 h ALA 58 CO 0.02 -0.41 -1.43 1.79 0.00 0.00 0.00 179.25 179.22 1qf3 h THR 59 N -0.82 0.90 0.00 0.00 1.35 -1.98 -3.49 112.91 108.87 1qf3 h THR 59 Ca -0.03 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1qf3 h THR 59 Cb 0.51 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1qf3 h THR 59 CO 0.05 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1qf3 n GLY 60 N 1.65 0.78 3.80 5.82 0.00 0.12 -5.06 105.19 112.30 1qf3 n GLY 60 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1qf3 n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qf3 s ASN 61 N -1.97 6.51 0.07 1.61 0.02 -1.24 -4.82 114.94 115.12 1qf3 s ASN 61 Ca 0.00 1.87 0.07 0.00 -1.02 0.00 0.00 52.86 53.78 1qf3 s ASN 61 Cb 0.00 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.68 1qf3 s ASN 61 CO 0.00 -0.66 -0.16 -0.69 0.02 0.00 0.00 177.10 175.61 1qf3 s VAL 62 N -2.02 2.96 0.60 1.60 1.01 -1.26 -1.68 120.40 121.60 1qf3 s VAL 62 Ca 0.66 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1qf3 s VAL 62 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1qf3 s VAL 62 CO 0.18 0.25 0.91 0.00 0.00 0.00 0.00 175.10 176.44 1qf3 s ALA 63 N -1.03 3.29 0.10 5.51 0.00 0.52 -4.73 121.76 125.42 1qf3 s ALA 63 Ca 0.17 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1qf3 s ALA 63 Cb -0.11 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1qf3 s ALA 63 CO 0.08 -0.82 -0.17 -1.12 0.00 0.00 0.00 175.76 173.72 1qf3 s SER 64 N -4.31 3.93 0.03 0.00 0.01 -0.80 -4.24 113.70 108.32 1qf3 s SER 64 Ca 0.54 -0.51 -0.09 0.00 1.31 0.00 0.00 55.95 57.19 1qf3 s SER 64 Cb -0.11 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1qf3 s SER 64 CO 0.45 0.19 0.19 0.72 0.41 0.00 0.00 173.24 175.21 1qf3 s PHE 65 N -1.11 0.04 -0.07 2.43 -0.12 -1.05 -1.39 117.98 116.70 1qf3 s PHE 65 Ca 0.18 -0.21 0.01 0.00 -0.05 0.00 0.00 56.93 56.86 1qf3 s PHE 65 Cb -0.11 -0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.28 1qf3 s PHE 65 CO 0.10 -0.40 -0.06 -1.17 -0.05 0.00 0.00 175.22 173.64 1qf3 s LEU 66 N -1.88 1.26 -0.05 -1.99 2.96 -0.53 -1.45 118.68 117.00 1qf3 s LEU 66 Ca -0.08 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1qf3 s LEU 66 Cb -0.03 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 46.04 1qf3 s LEU 66 CO -0.02 -0.07 0.16 0.28 -1.32 0.00 0.00 176.35 175.38 1qf3 s THR 67 N 1.20 0.02 0.01 3.68 -1.32 -0.64 -2.00 115.64 116.58 1qf3 s THR 67 Ca -0.06 -0.13 0.01 0.00 -1.21 0.00 0.00 61.69 60.30 1qf3 s THR 67 Cb -0.14 -0.28 -0.01 0.00 -1.51 0.00 0.00 72.50 70.57 1qf3 s THR 67 CO -0.02 -0.07 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.36 1qf3 s SER 68 N -0.19 0.27 0.10 8.08 1.04 -0.94 -0.56 113.70 121.50 1qf3 s SER 68 Ca -0.03 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.12 1qf3 s SER 68 Cb -0.02 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.12 1qf3 s SER 68 CO 0.00 -0.04 0.34 0.72 0.98 0.00 0.00 173.24 175.25 1qf3 s PHE 69 N -0.35 -0.12 0.00 5.02 -0.12 -0.76 -1.38 117.98 120.27 1qf3 s PHE 69 Ca -0.02 -0.18 0.06 0.00 -0.05 0.00 0.00 56.93 56.73 1qf3 s PHE 69 Cb -0.03 0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 1qf3 s PHE 69 CO -0.00 -0.63 -0.19 -1.54 -0.05 0.00 0.00 175.22 172.81 1qf3 s SER 70 N -2.67 2.22 0.22 1.98 1.04 -1.16 -1.28 113.70 114.05 1qf3 s SER 70 Ca 0.02 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 1qf3 s SER 70 Cb 0.02 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 1qf3 s SER 70 CO -0.10 0.21 0.11 0.72 0.98 0.00 0.00 173.24 175.15 1qf3 s PHE 71 N -0.53 1.28 -0.06 5.02 -0.12 -0.59 -1.30 117.98 121.68 1qf3 s PHE 71 Ca 0.07 -1.28 -0.03 0.00 -0.05 0.00 0.00 56.93 55.63 1qf3 s PHE 71 Cb -0.08 -0.68 0.03 0.00 -0.63 0.00 0.00 43.02 41.66 1qf3 s PHE 71 CO -0.00 -0.50 0.13 -2.00 -0.05 0.00 0.00 175.22 172.80 1qf3 s GLU 72 N -4.10 0.11 -0.05 1.99 2.12 -0.72 -1.14 118.70 116.91 1qf3 s GLU 72 Ca 0.37 0.28 0.06 0.00 0.36 0.00 0.00 54.97 56.04 1qf3 s GLU 72 Cb 0.07 -0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 1qf3 s GLU 72 CO 0.12 -0.10 -0.25 -1.64 -0.54 0.00 0.00 175.26 172.85 1qf3 s MET 73 N 0.67 2.49 -0.01 4.30 -1.94 -1.26 -0.62 119.30 122.93 1qf3 s MET 73 Ca -0.05 -0.90 0.01 0.00 -1.71 0.00 0.00 55.69 53.04 1qf3 s MET 73 Cb -0.07 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.63 1qf3 s MET 73 CO -0.03 0.41 -0.04 0.21 -0.01 0.00 0.00 175.02 175.56 1qf3 s LYS 74 N -0.24 0.43 0.44 2.03 2.20 -0.88 -0.48 119.74 123.23 1qf3 s LYS 74 Ca -0.01 -0.11 -0.23 0.00 -0.36 0.00 0.00 55.97 55.25 1qf3 s LYS 74 Cb -0.13 -0.45 -0.08 0.00 -1.51 0.00 0.00 37.83 35.66 1qf3 s LYS 74 CO 0.03 0.03 1.14 -0.51 -0.36 0.00 0.00 175.35 175.68 1qf3 s ASP 75 N 0.26 6.34 0.23 1.43 1.11 -1.26 -0.94 116.67 123.83 1qf3 s ASP 75 Ca -0.03 2.25 0.11 0.00 0.18 0.00 0.00 52.55 55.07 1qf3 s ASP 75 Cb -0.06 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.28 1qf3 s ASP 75 CO -0.00 -0.80 -0.21 0.27 1.18 0.00 0.00 175.17 175.61 1qf3 s ILE 76 N -1.56 2.31 0.33 0.77 -4.36 -1.26 -4.87 121.20 112.56 1qf3 s ILE 76 Ca 0.62 -2.18 -0.29 0.00 -0.26 0.00 0.00 60.65 58.54 1qf3 s ILE 76 Cb -0.27 -2.16 -0.11 0.00 1.25 0.00 0.00 42.46 41.17 1qf3 s ILE 76 CO 0.33 -0.28 1.44 -0.75 0.24 0.00 0.00 174.94 175.92 1qf3 s LYS 77 N -3.08 4.21 0.00 0.37 2.20 -1.26 -3.54 119.74 118.64 1qf3 s LYS 77 Ca 0.24 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 1qf3 s LYS 77 Cb -0.06 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1qf3 s LYS 77 CO 0.11 -0.43 0.00 -0.25 -0.36 0.00 0.00 175.35 174.43 1qf3 n ASP 78 N 1.04 0.00 -4.91 1.43 8.00 -1.26 -4.97 116.55 115.88 1qf3 n ASP 78 Ca 0.02 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.21 1qf3 n ASP 78 Cb 0.40 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 1qf3 n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1qf3 s TYR 79 N -0.64 3.52 0.17 1.24 2.02 -1.23 -5.06 117.35 117.37 1qf3 s TYR 79 Ca 0.00 0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.67 1qf3 s TYR 79 Cb 0.00 -1.77 -0.08 0.00 -0.40 0.00 0.00 41.96 39.71 1qf3 s TYR 79 CO 0.00 0.60 1.18 -0.51 -1.57 0.00 0.00 175.55 175.25 1qf3 s ASP 80 N -2.41 7.12 -0.46 2.29 1.11 -0.70 -4.67 116.67 118.95 1qf3 s ASP 80 Ca 0.34 2.18 -0.28 0.00 0.18 0.00 0.00 52.55 54.97 1qf3 s ASP 80 Cb -0.13 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.25 1qf3 s ASP 80 CO 0.26 -0.36 1.65 -2.84 1.18 0.00 0.00 175.17 175.07 1qf3 s PRO 81 N -0.12 3.23 0.18 8.23 0.02 -1.26 -0.56 135.00 144.72 1qf3 s PRO 81 Ca 0.53 0.95 -0.20 0.00 0.02 0.00 0.00 61.00 62.29 1qf3 s PRO 81 Cb -0.32 -4.19 0.05 0.00 0.02 0.00 0.00 34.50 30.06 1qf3 s PRO 81 CO 0.35 -2.00 0.58 0.00 -0.33 0.00 0.00 177.00 175.60 1qf3 s ALA 82 N 6.88 -1.29 -0.31 -1.55 0.00 -1.26 -4.70 121.76 119.53 1qf3 s ALA 82 Ca 0.67 0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.85 1qf3 s ALA 82 Cb -0.16 0.85 -0.13 0.00 0.00 0.00 0.00 23.12 23.68 1qf3 s ALA 82 CO 0.29 -0.81 0.36 -0.25 0.00 0.00 0.00 175.76 175.35 1qf3 n ASP 83 N -0.36 1.27 0.00 0.00 9.92 -0.44 -3.35 116.55 123.59 1qf3 n ASP 83 Ca -0.13 -0.46 0.00 0.00 -0.53 0.00 0.00 54.79 53.67 1qf3 n ASP 83 Cb 0.63 1.18 0.00 0.00 -0.64 0.00 0.00 41.12 42.30 1qf3 n ASP 83 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qf3 n GLY 84 N 1.49 1.74 3.48 0.44 0.00 -1.26 -2.28 105.19 108.79 1qf3 n GLY 84 Ca 0.00 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 1qf3 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qf3 s ILE 85 N -1.39 2.64 -0.07 -0.61 1.01 -1.09 -3.66 121.20 118.04 1qf3 s ILE 85 Ca 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 60.65 58.70 1qf3 s ILE 85 Cb 0.00 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.22 1qf3 s ILE 85 CO 0.00 -0.13 0.15 -0.51 0.00 0.00 0.00 174.94 174.46 1qf3 s ILE 86 N -1.71 -0.10 -0.24 2.92 2.07 -0.25 -1.07 121.20 122.82 1qf3 s ILE 86 Ca 0.22 0.22 -0.18 0.00 -1.41 0.00 0.00 60.65 59.50 1qf3 s ILE 86 Cb -0.08 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 1qf3 s ILE 86 CO 0.12 0.09 0.53 0.12 -1.91 0.00 0.00 174.94 173.89 1qf3 s PHE 87 N 1.42 3.31 0.24 3.50 5.36 -0.37 -1.45 117.98 129.99 1qf3 s PHE 87 Ca -0.07 0.72 0.03 0.00 -0.96 0.00 0.00 56.93 56.65 1qf3 s PHE 87 Cb -0.12 -2.72 -0.05 0.00 -0.34 0.00 0.00 43.02 39.79 1qf3 s PHE 87 CO -0.06 -0.22 0.03 -0.59 -1.46 0.00 0.00 175.22 172.92 1qf3 s PHE 88 N 2.08 1.54 -0.06 10.12 -0.71 -0.30 -0.36 117.98 130.29 1qf3 s PHE 88 Ca 0.23 -1.02 -0.00 0.00 -1.04 0.00 0.00 56.93 55.10 1qf3 s PHE 88 Cb -0.16 -0.91 0.03 0.00 -1.21 0.00 0.00 43.02 40.77 1qf3 s PHE 88 CO 0.09 -0.15 -0.02 0.42 -1.34 0.00 0.00 175.22 174.21 1qf3 s ILE 89 N -3.55 0.50 0.21 -4.49 1.01 0.13 -2.30 121.20 112.71 1qf3 s ILE 89 Ca 0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.90 1qf3 s ILE 89 Cb 0.07 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 1qf3 s ILE 89 CO 0.10 0.25 0.23 0.00 0.00 0.00 0.00 174.94 175.53 1qf3 s ALA 90 N 1.50 0.71 0.76 9.38 0.00 -0.83 -1.32 121.76 131.96 1qf3 s ALA 90 Ca -0.02 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 1qf3 s ALA 90 Cb -0.13 1.26 0.01 0.00 0.00 0.00 0.00 23.12 24.26 1qf3 s ALA 90 CO -0.03 -0.66 0.85 -2.30 0.00 0.00 0.00 175.76 173.61 1qf3 n PRO 91 N -0.29 0.30 0.33 0.00 -0.02 -1.26 -0.57 135.00 133.49 1qf3 n PRO 91 Ca 0.00 0.16 0.21 0.00 -2.02 0.00 0.00 63.50 61.86 1qf3 n PRO 91 Cb 0.65 -2.13 1.14 0.00 -0.02 0.00 0.00 33.50 33.14 1qf3 n PRO 91 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1qf3 h GLU 92 N -0.56 0.00 -0.47 -0.52 4.11 -1.85 -1.44 114.58 113.86 1qf3 h GLU 92 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1qf3 h GLU 92 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1qf3 h GLU 92 CO 0.44 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.12 1qf3 n ASP 93 N -3.12 2.48 -4.69 3.06 5.68 -1.26 -4.93 116.55 113.77 1qf3 n ASP 93 Ca -0.03 -2.03 -0.44 0.00 -0.50 0.00 0.00 54.79 51.79 1qf3 n ASP 93 Cb 0.12 -0.32 -0.04 0.00 -1.14 0.00 0.00 41.12 39.75 1qf3 n ASP 93 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1qf3 n THR 94 N 0.80 0.08 -4.17 2.12 5.66 -0.54 -5.02 114.28 113.22 1qf3 n THR 94 Ca 0.15 -0.02 -0.12 0.00 -3.05 0.00 0.00 64.05 61.02 1qf3 n THR 94 Cb 0.40 -1.79 -0.10 0.00 -1.55 0.00 0.00 70.33 67.29 1qf3 n THR 94 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qf3 s GLN 95 N 1.44 0.82 0.18 1.09 -1.52 -1.26 -5.08 119.66 115.33 1qf3 s GLN 95 Ca 0.79 -1.27 -0.32 0.00 -1.95 0.00 0.00 55.36 52.61 1qf3 s GLN 95 Cb -0.59 -0.29 -0.12 0.00 -0.22 0.00 0.00 33.01 31.80 1qf3 s GLN 95 CO 0.37 0.01 1.77 -0.89 -0.25 0.00 0.00 175.29 176.29 1qf3 n ILE 96 N 0.16 0.12 -1.54 1.08 5.41 -1.26 -4.87 119.36 118.46 1qf3 n ILE 96 Ca -0.13 -0.02 -0.46 0.00 1.00 0.00 0.00 62.75 63.13 1qf3 n ILE 96 Cb 0.60 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.47 1qf3 n ILE 96 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1qf3 n PRO 97 N 4.54 1.00 -2.07 0.38 -0.02 -1.26 -4.87 135.00 132.69 1qf3 n PRO 97 Ca 0.17 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1qf3 n PRO 97 Cb 0.36 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1qf3 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qf3 s ALA 98 N -0.91 3.66 -0.92 3.55 0.00 -1.26 -2.19 121.76 123.70 1qf3 s ALA 98 Ca 0.62 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1qf3 s ALA 98 Cb -0.78 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 18.76 1qf3 s ALA 98 CO 0.58 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1qf3 n GLY 99 N 3.62 0.27 3.66 0.00 0.00 -1.26 -4.94 105.19 106.54 1qf3 n GLY 99 Ca 0.13 -0.49 -0.48 0.00 0.00 0.00 0.00 46.02 45.17 1qf3 n GLY 99 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qf3 n SER 100 N 0.16 2.83 -0.59 1.61 2.88 -0.93 -4.87 113.62 114.71 1qf3 n SER 100 Ca -0.11 1.07 0.09 0.00 -1.33 0.00 0.00 58.87 58.59 1qf3 n SER 100 Cb 0.52 -1.36 0.32 0.00 -0.75 0.00 0.00 64.21 62.94 1qf3 n SER 100 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1qf3 n ILE 101 N 3.55 0.28 -2.77 2.46 -5.35 -1.26 -5.02 119.36 111.26 1qf3 n ILE 101 Ca 0.18 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1qf3 n ILE 101 Cb 0.26 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1qf3 n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qf3 n GLY 102 N 1.12 3.19 7.00 3.28 0.00 -1.26 -4.70 105.19 113.81 1qf3 n GLY 102 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1qf3 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qf3 n GLY 103 N 0.00 2.88 0.00 -0.02 0.00 0.17 -2.71 105.19 105.50 1qf3 n GLY 103 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.84 1qf3 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qf3 n GLY 104 N 0.00 -0.30 0.10 -0.02 0.00 -1.26 -2.07 105.19 101.64 1qf3 n GLY 104 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1qf3 n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qf3 n THR 105 N -0.90 0.00 -1.25 2.61 -2.24 -1.10 -4.94 114.28 106.46 1qf3 n THR 105 Ca 0.06 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1qf3 n THR 105 Cb 0.03 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1qf3 n THR 105 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qf3 n LEU 106 N -1.15 -0.42 -0.12 3.22 4.77 -0.88 -1.81 117.00 120.61 1qf3 n LEU 106 Ca 0.08 0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 56.31 1qf3 n LEU 106 Cb 0.34 -2.41 -0.01 0.00 -2.33 0.00 0.00 43.42 39.02 1qf3 n LEU 106 CO 0.32 -0.91 -0.01 0.61 -1.33 0.00 0.00 177.39 176.07 1qf3 n GLY 107 N 0.15 0.52 0.00 -0.72 0.00 -1.26 -3.93 105.19 99.95 1qf3 n GLY 107 Ca -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1qf3 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qf3 n VAL 108 N -2.90 0.00 -4.47 1.61 0.24 -0.75 -4.48 118.33 107.58 1qf3 n VAL 108 Ca -0.02 -0.26 -0.22 0.00 -2.04 0.00 0.00 64.34 61.80 1qf3 n VAL 108 Cb 0.08 0.83 -0.10 0.00 -1.47 0.00 0.00 33.84 33.17 1qf3 n VAL 108 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1qf3 s SER 109 N -0.89 2.47 0.64 -1.34 1.04 -1.15 -4.59 113.70 109.88 1qf3 s SER 109 Ca 0.00 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1qf3 s SER 109 Cb 0.00 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1qf3 s SER 109 CO 0.00 -0.68 0.00 -0.90 0.98 0.00 0.00 173.24 172.64 1qf3 n ASP 110 N -0.81 0.00 -0.07 7.02 5.68 -0.15 -4.82 116.55 123.39 1qf3 n ASP 110 Ca -0.03 -0.80 -0.01 0.00 -0.50 0.00 0.00 54.79 53.45 1qf3 n ASP 110 Cb 0.66 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.91 1qf3 n ASP 110 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1qf3 h THR 111 N -0.64 1.20 0.00 2.12 2.02 -1.94 -1.11 112.91 114.56 1qf3 h THR 111 Ca 0.00 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1qf3 h THR 111 Cb 0.00 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1qf3 h THR 111 CO 0.00 0.26 0.00 0.29 0.37 0.00 0.00 175.52 176.44 1qf3 n LYS 112 N -4.31 0.00 -0.56 6.66 4.76 -1.26 -4.87 118.16 118.59 1qf3 n LYS 112 Ca 0.03 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1qf3 n LYS 112 Cb 0.20 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1qf3 n LYS 112 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qf3 n GLY 113 N 0.77 0.70 3.94 0.72 0.00 -0.42 -4.95 105.19 105.95 1qf3 n GLY 113 Ca 0.05 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1qf3 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qf3 s ALA 114 N -2.00 3.91 -0.05 4.61 0.00 -1.26 -1.14 121.76 125.83 1qf3 s ALA 114 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 1qf3 s ALA 114 Cb 0.00 -1.85 0.07 0.00 0.00 0.00 0.00 23.12 21.34 1qf3 s ALA 114 CO 0.00 0.44 0.95 0.41 0.00 0.00 0.00 175.76 177.56 1qf3 n GLY 115 N -0.75 0.22 3.03 0.00 0.00 -1.09 -0.98 105.19 105.62 1qf3 n GLY 115 Ca -0.06 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1qf3 n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qf3 s HIS 116 N -2.12 3.38 0.06 1.61 2.46 -1.26 -4.48 115.29 114.95 1qf3 s HIS 116 Ca 0.23 -2.90 -0.28 0.00 0.47 0.00 0.00 55.06 52.58 1qf3 s HIS 116 Cb -0.00 -3.02 0.09 0.00 -0.13 0.00 0.00 32.58 29.51 1qf3 s HIS 116 CO -0.02 -0.83 1.05 -0.59 -2.47 0.00 0.00 174.74 171.89 1qf3 s PHE 117 N 0.09 -0.14 -0.03 3.88 -0.71 -1.26 -4.49 117.98 115.32 1qf3 s PHE 117 Ca 0.15 -0.06 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 1qf3 s PHE 117 Cb -0.23 0.59 0.01 0.00 -1.21 0.00 0.00 43.02 42.18 1qf3 s PHE 117 CO -0.03 -0.59 -0.08 0.08 -1.34 0.00 0.00 175.22 173.26 1qf3 s VAL 118 N -2.98 0.69 0.17 -2.49 1.01 -0.43 0.65 120.40 117.02 1qf3 s VAL 118 Ca 0.11 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 1qf3 s VAL 118 Cb 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.82 1qf3 s VAL 118 CO -0.02 0.22 0.94 -0.83 0.00 0.00 0.00 175.10 175.42 1qf3 s GLY 119 N 0.29 -0.20 -0.19 4.51 0.00 -0.35 0.19 107.32 111.57 1qf3 s GLY 119 Ca -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 1qf3 s GLY 119 CO 0.00 0.05 -0.15 0.14 0.00 0.00 0.00 173.10 173.15 1qf3 s VAL 120 N -3.31 2.54 0.01 1.40 1.01 0.51 -0.53 120.40 122.04 1qf3 s VAL 120 Ca 0.12 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1qf3 s VAL 120 Cb -0.02 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1qf3 s VAL 120 CO 0.03 0.50 0.03 -1.83 0.00 0.00 0.00 175.10 173.83 1qf3 s GLU 121 N 1.27 2.85 -0.72 2.72 -1.05 -0.38 -1.23 118.70 122.16 1qf3 s GLU 121 Ca 0.04 -0.60 0.05 0.00 -0.15 0.00 0.00 54.97 54.30 1qf3 s GLU 121 Cb -0.14 -2.72 0.17 0.00 -0.44 0.00 0.00 34.13 31.01 1qf3 s GLU 121 CO -0.08 0.62 0.51 -0.06 0.95 0.00 0.00 175.26 177.20 1qf3 s PHE 122 N -1.16 3.60 -0.20 4.83 0.40 -0.23 -1.72 117.98 123.50 1qf3 s PHE 122 Ca 0.22 -3.33 -0.27 0.00 -0.60 0.00 0.00 56.93 52.95 1qf3 s PHE 122 Cb -0.12 -2.75 -0.00 0.00 0.51 0.00 0.00 43.02 40.66 1qf3 s PHE 122 CO 0.13 -0.56 0.92 0.34 0.70 0.00 0.00 175.22 176.75 1qf3 s ASP 123 N -1.39 6.99 -0.17 1.36 -1.08 -0.68 -2.65 116.67 119.05 1qf3 s ASP 123 Ca 0.25 1.24 0.16 0.00 -0.52 0.00 0.00 52.55 53.67 1qf3 s ASP 123 Cb -0.05 -2.49 0.63 0.00 -1.46 0.00 0.00 42.92 39.56 1qf3 s ASP 123 CO -0.16 -0.53 1.54 0.35 0.52 0.00 0.00 175.17 176.89 1qf3 n THR 124 N 5.06 2.25 -3.68 1.71 -2.24 -0.97 -2.14 114.28 114.27 1qf3 n THR 124 Ca 0.08 -1.55 -0.09 0.00 -2.27 0.00 0.00 64.05 60.22 1qf3 n THR 124 Cb 0.47 -0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.47 1qf3 n THR 124 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1qf3 s TYR 125 N -2.49 -0.71 -0.77 4.78 6.14 -1.26 -4.71 117.35 118.33 1qf3 s TYR 125 Ca 0.46 1.45 -0.26 0.00 0.64 0.00 0.00 57.07 59.36 1qf3 s TYR 125 Cb 0.34 0.33 0.02 0.00 0.42 0.00 0.00 41.96 43.07 1qf3 s TYR 125 CO 0.14 -0.40 1.44 0.45 0.64 0.00 0.00 175.55 177.82 1qf3 s SER 126 N 1.75 6.01 -0.53 4.32 0.15 -1.26 -4.97 113.70 119.17 1qf3 s SER 126 Ca -0.08 -0.47 -0.20 0.00 0.70 0.00 0.00 55.95 55.90 1qf3 s SER 126 Cb -0.09 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.73 1qf3 s SER 126 CO -0.14 -1.93 0.68 0.20 1.20 0.00 0.00 173.24 173.26 1qf3 s ASN 127 N 4.91 6.23 0.56 5.45 -0.87 -1.26 -4.93 114.94 125.03 1qf3 s ASN 127 Ca 0.44 -0.93 0.24 0.00 -1.57 0.00 0.00 52.86 51.04 1qf3 s ASN 127 Cb -0.08 -2.31 1.58 0.00 -0.02 0.00 0.00 41.25 40.42 1qf3 s ASN 127 CO 0.11 -0.97 2.19 0.77 -2.57 0.00 0.00 177.10 176.63 1qf3 h SER 128 N 9.07 0.00 0.96 -1.22 4.64 -1.93 -1.63 113.55 123.43 1qf3 h SER 128 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1qf3 h SER 128 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1qf3 h SER 128 CO 1.00 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 178.01 1qf3 h GLU 129 N 0.00 0.00 -0.31 4.77 9.09 -1.97 -2.48 114.58 123.68 1qf3 h GLU 129 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1qf3 h GLU 129 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 1qf3 h GLU 129 CO -0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1qf3 n TYR 130 N -2.99 0.67 -3.61 2.06 4.01 -0.66 -4.98 117.16 111.68 1qf3 n TYR 130 Ca 0.01 -0.66 -0.24 0.00 -0.16 0.00 0.00 57.90 56.85 1qf3 n TYR 130 Cb 0.29 -0.15 0.08 0.00 -0.31 0.00 0.00 39.34 39.25 1qf3 n TYR 130 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1qf3 n ASN 131 N 0.09 -5.81 -4.77 7.72 3.02 -0.93 -4.20 115.26 110.37 1qf3 n ASN 131 Ca 0.16 -0.57 -0.36 0.00 -0.03 0.00 0.00 54.58 53.78 1qf3 n ASN 131 Cb 0.62 -4.96 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 1qf3 n ASN 131 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1qf3 s ASP 132 N -3.43 5.80 0.74 6.41 1.01 -0.96 -4.90 116.67 121.34 1qf3 s ASP 132 Ca 0.53 2.23 -0.11 0.00 0.71 0.00 0.00 52.55 55.91 1qf3 s ASP 132 Cb -0.24 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.15 1qf3 s ASP 132 CO 0.74 -1.17 1.08 -2.84 0.21 0.00 0.00 175.17 173.19 1qf3 s PRO 133 N -3.14 2.47 0.00 8.23 0.02 -1.26 -4.79 135.00 136.54 1qf3 s PRO 133 Ca 0.71 1.13 0.17 0.00 0.02 0.00 0.00 61.00 63.03 1qf3 s PRO 133 Cb -0.26 -1.92 0.99 0.00 0.02 0.00 0.00 34.50 33.33 1qf3 s PRO 133 CO 0.29 -1.47 1.41 -0.35 -0.33 0.00 0.00 177.00 176.55 1qf3 n PRO 134 N -3.33 0.57 -4.41 5.54 -0.04 -1.26 -4.56 135.00 127.51 1qf3 n PRO 134 Ca 0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1qf3 n PRO 134 Cb 0.53 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 1qf3 n PRO 134 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1qf3 s THR 135 N -2.00 0.56 0.77 0.52 -4.23 -1.26 -4.93 115.64 105.08 1qf3 s THR 135 Ca 0.25 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.62 1qf3 s THR 135 Cb 0.11 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.51 1qf3 s THR 135 CO 0.19 0.00 1.21 -1.81 -0.54 0.00 0.00 174.62 173.68 1qf3 s ASP 136 N -3.47 3.84 0.08 3.99 1.01 -1.26 -4.80 116.67 116.07 1qf3 s ASP 136 Ca 0.32 2.38 -0.26 0.00 0.71 0.00 0.00 52.55 55.70 1qf3 s ASP 136 Cb 0.05 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.47 1qf3 s ASP 136 CO 0.16 -2.50 0.86 -1.38 0.21 0.00 0.00 175.17 172.52 1qf3 s HIS 137 N -2.05 -0.30 -0.03 4.23 -3.43 -0.91 -1.79 115.29 111.01 1qf3 s HIS 137 Ca 0.74 0.08 0.03 0.00 -0.80 0.00 0.00 55.06 55.11 1qf3 s HIS 137 Cb -0.29 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.41 1qf3 s HIS 137 CO 0.48 -0.71 -0.09 0.08 -2.00 0.00 0.00 174.74 172.50 1qf3 s VAL 138 N -3.30 3.53 0.06 -5.38 1.01 -0.58 -1.69 120.40 114.04 1qf3 s VAL 138 Ca 0.07 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1qf3 s VAL 138 Cb -0.01 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.90 1qf3 s VAL 138 CO -0.05 0.50 0.22 -0.83 0.00 0.00 0.00 175.10 174.94 1qf3 s GLY 139 N -1.07 0.01 -0.26 4.51 0.00 -0.70 -1.04 107.32 108.77 1qf3 s GLY 139 Ca 0.14 -0.34 -0.09 0.00 0.00 0.00 0.00 44.72 44.44 1qf3 s GLY 139 CO 0.04 -0.53 0.12 -0.42 0.00 0.00 0.00 173.10 172.31 1qf3 s ILE 140 N -3.07 4.74 -0.18 0.90 -1.09 -0.09 -1.25 121.20 121.16 1qf3 s ILE 140 Ca -0.01 -0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1qf3 s ILE 140 Cb 0.01 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 1qf3 s ILE 140 CO -0.07 0.31 -0.05 -1.81 -1.23 0.00 0.00 174.94 172.10 1qf3 s ASP 141 N 1.58 4.51 -0.32 3.58 1.01 0.32 -1.27 116.67 126.08 1qf3 s ASP 141 Ca 0.06 -0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.10 1qf3 s ASP 141 Cb -0.15 -1.75 0.09 0.00 1.01 0.00 0.00 42.92 42.12 1qf3 s ASP 141 CO 0.06 0.09 0.02 -0.69 0.21 0.00 0.00 175.17 174.87 1qf3 s VAL 142 N 0.80 2.14 -1.68 -1.27 1.01 -1.26 -1.21 120.40 118.92 1qf3 s VAL 142 Ca -0.02 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.83 1qf3 s VAL 142 Cb -0.15 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1qf3 s VAL 142 CO 0.02 -0.50 0.00 0.59 0.00 0.00 0.00 175.10 175.21 1qf3 n ASN 143 N 4.34 -5.16 -3.62 3.32 3.02 0.21 -4.92 115.26 112.46 1qf3 n ASN 143 Ca 0.00 0.17 -0.06 0.00 -0.03 0.00 0.00 54.58 54.67 1qf3 n ASN 143 Cb 0.42 -4.40 -0.05 0.00 -0.61 0.00 0.00 39.78 35.14 1qf3 n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qf3 s SER 144 N -2.20 -0.18 0.00 6.41 0.15 -1.26 -2.69 113.70 113.93 1qf3 s SER 144 Ca 0.00 0.19 0.23 0.00 0.70 0.00 0.00 55.95 57.07 1qf3 s SER 144 Cb 0.00 0.15 0.90 0.00 -1.71 0.00 0.00 66.02 65.35 1qf3 s SER 144 CO 0.00 -0.16 1.63 1.33 1.20 0.00 0.00 173.24 177.24 1qf3 n VAL 145 N 0.63 0.13 -3.02 4.45 0.24 -0.29 -4.35 118.33 116.12 1qf3 n VAL 145 Ca -0.04 -0.28 -0.45 0.00 -2.04 0.00 0.00 64.34 61.53 1qf3 n VAL 145 Cb 0.58 0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 33.23 1qf3 n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1qf3 s ASP 146 N -1.68 6.68 0.19 -1.34 -1.08 -1.26 -4.91 116.67 113.27 1qf3 s ASP 146 Ca 0.34 -2.23 -0.32 0.00 -0.52 0.00 0.00 52.55 49.82 1qf3 s ASP 146 Cb 0.18 -2.36 -0.15 0.00 -1.46 0.00 0.00 42.92 39.13 1qf3 s ASP 146 CO 0.28 -0.94 1.12 -1.20 0.52 0.00 0.00 175.17 174.94 1qf3 n SER 147 N 5.93 1.24 -0.14 -0.34 7.64 -1.26 -4.85 113.62 121.84 1qf3 n SER 147 Ca 0.22 1.15 -0.08 0.00 1.01 0.00 0.00 58.87 61.17 1qf3 n SER 147 Cb 0.48 -1.22 0.08 0.00 -1.01 0.00 0.00 64.21 62.55 1qf3 n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1qf3 h VAL 148 N 2.50 1.26 -2.69 0.44 2.07 -1.51 -3.45 116.25 114.88 1qf3 h VAL 148 Ca -0.42 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 65.80 1qf3 h VAL 148 Cb 1.35 0.97 -0.23 0.00 -1.52 0.00 0.00 31.29 31.86 1qf3 h VAL 148 CO 0.68 0.42 -0.19 -0.75 0.02 0.00 0.00 177.57 177.75 1qf3 s LYS 149 N -4.85 0.58 0.10 1.57 2.20 -1.22 -5.02 119.74 113.10 1qf3 s LYS 149 Ca -0.10 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1qf3 s LYS 149 Cb 0.14 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1qf3 s LYS 149 CO 0.84 -0.10 -0.01 0.95 -0.36 0.00 0.00 175.35 176.67 1qf3 s THR 150 N -0.12 0.38 -0.05 3.43 -4.23 -1.26 -0.91 115.64 112.88 1qf3 s THR 150 Ca -0.03 -1.90 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1qf3 s THR 150 Cb -0.03 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 72.04 1qf3 s THR 150 CO 0.02 -0.74 0.12 0.54 -0.54 0.00 0.00 174.62 174.02 1qf3 s VAL 151 N -3.84 -0.03 0.44 2.29 0.11 -0.21 -4.99 120.40 114.19 1qf3 s VAL 151 Ca 0.15 0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 59.07 1qf3 s VAL 151 Cb 0.07 -0.20 -0.09 0.00 -1.53 0.00 0.00 36.38 34.63 1qf3 s VAL 151 CO -0.03 0.04 1.13 -2.65 -3.33 0.00 0.00 175.10 170.26 1qf3 n PRO 152 N 3.67 1.56 -4.07 1.54 -0.02 -1.26 -1.53 135.00 134.89 1qf3 n PRO 152 Ca -0.20 0.56 -0.14 0.00 -2.02 0.00 0.00 63.50 61.70 1qf3 n PRO 152 Cb 0.55 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1qf3 n PRO 152 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1qf3 s TRP 153 N -1.27 0.97 -0.12 6.00 -0.00 -0.74 -4.76 118.94 119.03 1qf3 s TRP 153 Ca 0.64 -1.24 -0.04 0.00 -0.00 0.00 0.00 56.10 55.46 1qf3 s TRP 153 Cb -0.52 -0.01 0.06 0.00 -0.00 0.00 0.00 33.47 33.00 1qf3 s TRP 153 CO 0.56 -1.16 0.22 1.21 -0.00 0.00 0.00 176.95 177.78 1qf3 s ASN 154 N -3.22 0.59 -0.26 5.86 2.47 -1.26 -4.04 114.94 115.08 1qf3 s ASN 154 Ca 0.29 0.43 -0.18 0.00 0.42 0.00 0.00 52.86 53.82 1qf3 s ASN 154 Cb -0.01 0.53 -0.03 0.00 -1.45 0.00 0.00 41.25 40.29 1qf3 s ASN 154 CO 0.19 -0.25 0.50 -0.55 -3.72 0.00 0.00 177.10 173.28 1qf3 s SER 155 N 2.37 6.43 -0.27 -4.21 0.15 -1.26 -5.04 113.70 111.86 1qf3 s SER 155 Ca 0.02 0.51 -0.09 0.00 0.70 0.00 0.00 55.95 57.10 1qf3 s SER 155 Cb -0.12 -2.28 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1qf3 s SER 155 CO -0.08 -0.27 0.11 -0.69 1.20 0.00 0.00 173.24 173.51 1qf3 s VAL 156 N 2.25 4.57 0.10 4.45 1.01 -1.26 -5.06 120.40 126.47 1qf3 s VAL 156 Ca 0.21 -0.15 -0.33 0.00 0.00 0.00 0.00 61.98 61.70 1qf3 s VAL 156 Cb -0.16 -3.19 -0.12 0.00 0.00 0.00 0.00 36.38 32.91 1qf3 s VAL 156 CO 0.09 0.26 1.73 -0.24 0.00 0.00 0.00 175.10 176.94 1qf3 n SER 157 N 4.96 3.50 0.00 3.32 2.88 -1.26 -1.76 113.62 125.27 1qf3 n SER 157 Ca -0.15 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1qf3 n SER 157 Cb 0.51 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1qf3 n SER 157 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qf3 n GLY 158 N 3.90 0.51 3.77 0.46 0.00 0.37 -4.94 105.19 109.26 1qf3 n GLY 158 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1qf3 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qf3 s ALA 159 N -2.09 3.68 -0.24 4.61 0.00 -0.72 -4.98 121.76 122.01 1qf3 s ALA 159 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1qf3 s ALA 159 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.87 1qf3 s ALA 159 CO 0.00 0.25 1.04 0.08 0.00 0.00 0.00 175.76 177.13 1qf3 s VAL 160 N -0.01 4.66 -0.08 0.00 1.01 -1.26 -4.32 120.40 120.40 1qf3 s VAL 160 Ca 0.15 1.97 -0.02 0.00 0.00 0.00 0.00 61.98 64.08 1qf3 s VAL 160 Cb -0.13 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1qf3 s VAL 160 CO 0.04 -0.22 0.01 -0.69 0.00 0.00 0.00 175.10 174.24 1qf3 s VAL 161 N 3.25 4.37 -0.04 2.92 1.01 -0.29 -4.41 120.40 127.20 1qf3 s VAL 161 Ca 0.44 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.22 1qf3 s VAL 161 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1qf3 s VAL 161 CO 0.07 0.58 -0.21 -0.54 0.00 0.00 0.00 175.10 175.00 1qf3 s LYS 162 N -0.97 2.37 -0.00 2.72 1.02 -1.09 -1.55 119.74 122.24 1qf3 s LYS 162 Ca 0.14 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.32 1qf3 s LYS 162 Cb -0.11 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1qf3 s LYS 162 CO 0.03 0.54 -0.09 0.08 -0.92 0.00 0.00 175.35 175.00 1qf3 s VAL 163 N -0.54 0.67 -0.05 3.17 1.01 -0.41 -0.42 120.40 123.82 1qf3 s VAL 163 Ca 0.08 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1qf3 s VAL 163 Cb -0.11 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1qf3 s VAL 163 CO 0.01 0.15 -0.12 -0.89 0.00 0.00 0.00 175.10 174.24 1qf3 s THR 164 N -0.29 1.06 -0.03 3.92 2.01 -0.33 -1.83 115.64 120.14 1qf3 s THR 164 Ca 0.02 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1qf3 s THR 164 Cb -0.04 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 1qf3 s THR 164 CO -0.00 0.33 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.41 1qf3 s VAL 165 N 0.52 1.31 -0.05 3.82 1.01 0.28 -0.92 120.40 126.37 1qf3 s VAL 165 Ca -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1qf3 s VAL 165 Cb -0.14 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.14 1qf3 s VAL 165 CO 0.03 0.38 -0.09 -0.63 0.00 0.00 0.00 175.10 174.79 1qf3 s ILE 166 N -0.02 0.84 -0.19 2.22 1.01 -0.63 -1.62 121.20 122.82 1qf3 s ILE 166 Ca -0.02 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1qf3 s ILE 166 Cb -0.10 -0.80 0.03 0.00 0.01 0.00 0.00 42.46 41.60 1qf3 s ILE 166 CO 0.01 0.29 -0.18 -0.47 0.00 0.00 0.00 174.94 174.59 1qf3 s TYR 167 N 0.73 2.80 -0.38 3.97 5.04 -0.53 -1.43 117.35 127.55 1qf3 s TYR 167 Ca -0.13 -1.73 -0.15 0.00 -2.44 0.00 0.00 57.07 52.63 1qf3 s TYR 167 Cb -0.15 -1.89 0.01 0.00 0.35 0.00 0.00 41.96 40.28 1qf3 s TYR 167 CO 0.02 -0.81 0.31 0.34 -1.34 0.00 0.00 175.55 174.07 1qf3 s ASP 168 N 1.28 6.12 0.21 4.32 2.15 -0.48 -2.54 116.67 127.73 1qf3 s ASP 168 Ca 0.03 -0.65 -0.09 0.00 0.43 0.00 0.00 52.55 52.27 1qf3 s ASP 168 Cb -0.14 -2.17 0.29 0.00 -0.30 0.00 0.00 42.92 40.60 1qf3 s ASP 168 CO -0.11 -0.39 1.75 0.77 -0.17 0.00 0.00 175.17 177.01 1qf3 h SER 169 N 8.58 0.25 0.04 -0.34 4.64 -1.87 0.71 113.55 125.57 1qf3 h SER 169 Ca -0.28 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1qf3 h SER 169 Cb 1.13 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1qf3 h SER 169 CO 0.71 0.15 -0.30 0.28 -0.87 0.00 0.00 176.83 176.79 1qf3 h SER 170 N 0.43 -0.89 0.87 4.97 0.02 -1.93 -2.79 113.55 114.23 1qf3 h SER 170 Ca 0.31 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1qf3 h SER 170 Cb 0.39 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1qf3 h SER 170 CO -0.31 -0.38 -0.68 0.71 -1.14 0.00 0.00 176.83 175.04 1qf3 h THR 171 N -0.48 0.00 -5.01 -2.27 1.35 -1.98 -3.47 112.91 101.05 1qf3 h THR 171 Ca 0.05 -0.55 -0.34 0.00 -0.55 0.00 0.00 66.41 65.02 1qf3 h THR 171 Cb 0.54 1.11 0.11 0.00 -1.73 0.00 0.00 68.15 68.19 1qf3 h THR 171 CO -0.23 0.00 -0.58 0.29 -0.25 0.00 0.00 175.52 174.75 1qf3 n LYS 172 N -2.18 -6.56 -3.86 4.72 5.02 0.24 -4.86 118.16 110.69 1qf3 n LYS 172 Ca 0.03 0.72 -0.35 0.00 -2.02 0.00 0.00 58.31 56.69 1qf3 n LYS 172 Cb 0.45 -5.41 -0.08 0.00 -0.02 0.00 0.00 35.03 29.97 1qf3 n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qf3 s THR 173 N -3.25 5.20 -0.24 -0.18 2.01 -1.04 -0.98 115.64 117.16 1qf3 s THR 173 Ca 0.48 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 1qf3 s THR 173 Cb -0.21 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 68.98 1qf3 s THR 173 CO 0.59 0.49 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.73 1qf3 s LEU 174 N 0.06 3.10 -0.02 4.42 2.96 -0.03 -1.38 118.68 127.78 1qf3 s LEU 174 Ca 0.08 -0.71 0.07 0.00 -0.22 0.00 0.00 54.13 53.34 1qf3 s LEU 174 Cb -0.12 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1qf3 s LEU 174 CO -0.00 -0.10 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.77 1qf3 s SER 175 N 1.38 2.67 -0.05 3.68 1.04 -0.51 -0.80 113.70 121.11 1qf3 s SER 175 Ca 0.02 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.09 1qf3 s SER 175 Cb -0.16 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.59 1qf3 s SER 175 CO -0.04 0.27 -0.23 -0.69 0.98 0.00 0.00 173.24 173.53 1qf3 s VAL 176 N -0.47 1.85 -0.17 5.02 1.01 0.32 -1.60 120.40 126.37 1qf3 s VAL 176 Ca 0.07 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1qf3 s VAL 176 Cb -0.09 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1qf3 s VAL 176 CO -0.00 0.52 -0.16 0.00 0.00 0.00 0.00 175.10 175.46 1qf3 s ALA 177 N -0.13 2.05 -0.23 5.51 0.00 -0.09 -2.10 121.76 126.76 1qf3 s ALA 177 Ca -0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 1qf3 s ALA 177 Cb -0.13 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1qf3 s ALA 177 CO 0.03 -0.44 0.00 0.08 0.00 0.00 0.00 175.76 175.43 1qf3 s VAL 178 N 1.40 3.74 -0.42 0.00 1.01 0.12 -1.19 120.40 125.07 1qf3 s VAL 178 Ca 0.04 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 1qf3 s VAL 178 Cb -0.13 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1qf3 s VAL 178 CO -0.11 0.39 0.33 -0.89 0.00 0.00 0.00 175.10 174.82 1qf3 s THR 179 N 1.53 5.23 0.96 3.92 2.01 0.43 -0.45 115.64 129.28 1qf3 s THR 179 Ca 0.06 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 1qf3 s THR 179 Cb -0.15 -3.97 0.16 0.00 0.01 0.00 0.00 72.50 68.56 1qf3 s THR 179 CO -0.01 -0.36 1.12 0.20 -0.69 0.00 0.00 174.62 174.88 1qf3 s ASN 180 N 1.83 3.05 0.16 3.53 0.01 0.17 -2.67 114.94 121.02 1qf3 s ASN 180 Ca 0.06 1.06 -0.15 0.00 -0.71 0.00 0.00 52.86 53.12 1qf3 s ASN 180 Cb -0.19 -1.68 0.05 0.00 0.41 0.00 0.00 41.25 39.83 1qf3 s ASN 180 CO 0.10 -2.85 1.82 -0.78 -1.51 0.00 0.00 177.10 173.88 1qf3 h ASP 181 N -1.70 0.50 0.00 -1.22 3.58 -1.87 -2.61 116.42 113.10 1qf3 h ASP 181 Ca -0.53 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.92 1qf3 h ASP 181 Cb 1.33 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1qf3 h ASP 181 CO 0.60 0.36 0.00 -0.46 -2.88 0.00 0.00 179.24 176.86 1qf3 n ASN 182 N -4.79 0.00 0.00 2.28 2.04 -1.26 -4.87 115.26 108.66 1qf3 n ASN 182 Ca 0.02 -1.08 0.00 0.00 -0.44 0.00 0.00 54.58 53.08 1qf3 n ASN 182 Cb 0.04 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.29 1qf3 n ASN 182 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1qf3 n GLY 183 N 0.36 2.81 3.73 4.83 0.00 -0.98 -5.06 105.19 110.88 1qf3 n GLY 183 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1qf3 n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qf3 s ASP 184 N 0.67 4.64 0.10 1.61 1.11 -1.26 -4.67 116.67 118.87 1qf3 s ASP 184 Ca 0.00 2.56 0.10 0.00 0.18 0.00 0.00 52.55 55.39 1qf3 s ASP 184 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1qf3 s ASP 184 CO 0.00 -1.98 -0.26 0.27 1.18 0.00 0.00 175.17 174.38 1qf3 s ILE 185 N -1.49 2.15 -0.05 0.77 -4.36 -1.26 -0.65 121.20 116.31 1qf3 s ILE 185 Ca 0.81 -1.61 0.04 0.00 -0.26 0.00 0.00 60.65 59.64 1qf3 s ILE 185 Cb -0.36 -1.88 -0.00 0.00 1.25 0.00 0.00 42.46 41.47 1qf3 s ILE 185 CO 0.39 0.16 -0.17 -0.89 0.24 0.00 0.00 174.94 174.67 1qf3 s THR 186 N -0.98 1.44 0.17 8.37 2.01 0.41 -4.94 115.64 122.12 1qf3 s THR 186 Ca 0.12 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.47 1qf3 s THR 186 Cb -0.10 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 1qf3 s THR 186 CO 0.04 0.42 -0.13 0.42 -0.69 0.00 0.00 174.62 174.68 1qf3 s THR 187 N 0.08 1.49 -0.26 -0.82 -4.23 -1.26 0.13 115.64 110.77 1qf3 s THR 187 Ca -0.05 -2.11 -0.24 0.00 -1.18 0.00 0.00 61.69 58.11 1qf3 s THR 187 Cb -0.12 -1.92 0.07 0.00 1.34 0.00 0.00 72.50 71.87 1qf3 s THR 187 CO 0.03 -0.63 0.70 -0.51 -0.54 0.00 0.00 174.62 173.66 1qf3 s ILE 188 N -3.02 -0.00 0.03 2.99 2.07 -0.89 -4.97 121.20 117.41 1qf3 s ILE 188 Ca 0.19 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1qf3 s ILE 188 Cb 0.00 -0.97 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 1qf3 s ILE 188 CO 0.04 0.00 -0.04 0.00 -1.91 0.00 0.00 174.94 173.04 1qf3 s ALA 189 N 0.44 0.25 -0.15 1.50 0.00 -1.26 -0.52 121.76 122.02 1qf3 s ALA 189 Ca -0.01 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 1qf3 s ALA 189 Cb -0.05 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.29 1qf3 s ALA 189 CO -0.00 -0.18 0.65 -1.14 0.00 0.00 0.00 175.76 175.09 1qf3 s GLN 190 N -1.90 0.90 -0.23 0.00 2.00 0.02 -4.99 119.66 115.45 1qf3 s GLN 190 Ca -0.11 0.57 -0.23 0.00 -2.00 0.00 0.00 55.36 53.58 1qf3 s GLN 190 Cb -0.07 0.43 -0.01 0.00 0.80 0.00 0.00 33.01 34.16 1qf3 s GLN 190 CO -0.02 -0.20 0.76 0.08 -0.50 0.00 0.00 175.29 175.41 1qf3 s VAL 191 N -0.43 4.89 -0.12 1.34 1.01 -1.26 -0.85 120.40 124.98 1qf3 s VAL 191 Ca -0.06 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 1qf3 s VAL 191 Cb -0.03 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1qf3 s VAL 191 CO 0.05 -0.02 -0.00 -0.69 0.00 0.00 0.00 175.10 174.44 1qf3 s VAL 192 N 2.61 0.56 -0.89 2.92 1.01 -0.15 -4.99 120.40 121.48 1qf3 s VAL 192 Ca 0.33 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 1qf3 s VAL 192 Cb -0.15 -0.81 0.08 0.00 0.00 0.00 0.00 36.38 35.49 1qf3 s VAL 192 CO 0.08 0.12 1.24 -0.62 0.00 0.00 0.00 175.10 175.92 1qf3 s ASP 193 N 1.88 6.43 0.48 3.32 2.15 -1.26 -4.73 116.67 124.93 1qf3 s ASP 193 Ca 0.03 -1.39 0.17 0.00 0.43 0.00 0.00 52.55 51.79 1qf3 s ASP 193 Cb -0.14 -2.49 1.18 0.00 -0.30 0.00 0.00 42.92 41.17 1qf3 s ASP 193 CO -0.07 -1.41 2.02 -0.07 -0.17 0.00 0.00 175.17 175.47 1qf3 h LEU 194 N 11.85 0.19 -1.70 -1.34 3.38 -1.96 -1.63 115.31 124.11 1qf3 h LEU 194 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1qf3 h LEU 194 Cb 1.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1qf3 h LEU 194 CO 1.26 0.12 -0.07 0.50 0.09 0.00 0.00 178.44 180.34 1qf3 h LYS 195 N 0.22 0.00 0.00 1.13 3.64 -1.89 -1.26 116.57 118.41 1qf3 h LYS 195 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1qf3 h LYS 195 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1qf3 h LYS 195 CO -0.04 0.07 -1.12 0.00 -2.27 0.00 0.00 179.45 176.10 1qf3 n ALA 196 N -2.16 4.14 -0.03 5.00 0.00 -0.63 -4.51 120.51 122.32 1qf3 n ALA 196 Ca -0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 53.44 52.90 1qf3 n ALA 196 Cb 0.28 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 1qf3 n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qf3 n LYS 197 N -1.61 1.35 -4.38 0.00 4.76 -1.08 -5.05 118.16 112.15 1qf3 n LYS 197 Ca 0.02 -0.05 -0.19 0.00 -2.87 0.00 0.00 58.31 55.22 1qf3 n LYS 197 Cb 0.35 -1.30 -0.10 0.00 -1.84 0.00 0.00 35.03 32.13 1qf3 n LYS 197 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qf3 s LEU 198 N -4.42 2.32 0.67 -0.35 1.43 -0.49 -4.90 118.68 112.94 1qf3 s LEU 198 Ca -0.05 -1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 51.78 1qf3 s LEU 198 Cb 0.05 -0.43 0.05 0.00 0.03 0.00 0.00 46.19 45.90 1qf3 s LEU 198 CO 0.50 -0.44 0.97 -2.16 0.23 0.00 0.00 176.35 175.44 1qf3 s PRO 199 N -3.81 2.33 0.27 1.29 0.04 -1.26 -4.65 135.00 129.22 1qf3 s PRO 199 Ca 0.29 -0.28 -0.00 0.00 0.04 0.00 0.00 61.00 61.04 1qf3 s PRO 199 Cb 0.05 -2.22 0.62 0.00 0.04 0.00 0.00 34.50 32.98 1qf3 s PRO 199 CO 0.10 -1.11 1.68 0.93 0.04 0.00 0.00 177.00 178.65 1qf3 h GLU 200 N -0.46 0.29 -5.38 4.56 5.08 -1.95 -3.39 114.58 113.32 1qf3 h GLU 200 Ca -0.44 -0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.26 1qf3 h GLU 200 Cb 1.31 -0.07 -0.19 0.00 0.50 0.00 0.00 28.75 30.30 1qf3 h GLU 200 CO 0.59 0.19 -0.63 1.03 -1.00 0.00 0.00 179.01 179.20 1qf3 s ARG 201 N -5.96 3.67 0.24 2.33 0.52 -1.26 -1.24 118.95 117.25 1qf3 s ARG 201 Ca -0.12 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 1qf3 s ARG 201 Cb 0.24 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 1qf3 s ARG 201 CO 0.77 0.31 0.19 0.14 0.02 0.00 0.00 175.30 176.73 1qf3 s VAL 202 N 0.20 0.00 0.02 3.52 -7.23 -0.09 -3.53 120.40 113.29 1qf3 s VAL 202 Ca -0.00 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1qf3 s VAL 202 Cb -0.13 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1qf3 s VAL 202 CO 0.02 0.00 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.11 1qf3 s LYS 203 N -3.92 1.13 0.00 4.82 1.02 0.26 -0.41 119.74 122.64 1qf3 s LYS 203 Ca 0.39 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.70 1qf3 s LYS 203 Cb 0.05 -1.14 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1qf3 s LYS 203 CO 0.17 0.30 0.01 -0.06 -0.92 0.00 0.00 175.35 174.84 1qf3 s PHE 204 N -0.63 3.09 -0.03 3.18 0.40 -1.26 -1.96 117.98 120.77 1qf3 s PHE 204 Ca 0.04 0.08 -0.22 0.00 -0.60 0.00 0.00 56.93 56.24 1qf3 s PHE 204 Cb -0.07 -1.67 0.07 0.00 0.51 0.00 0.00 43.02 41.86 1qf3 s PHE 204 CO 0.01 0.47 0.97 0.41 0.70 0.00 0.00 175.22 177.77 1qf3 n GLY 205 N 1.34 0.28 3.40 4.36 0.00 -0.97 -0.99 105.19 112.61 1qf3 n GLY 205 Ca -0.14 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 1qf3 n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qf3 s PHE 206 N -2.23 2.11 -0.02 1.61 0.08 -0.51 -1.15 117.98 117.88 1qf3 s PHE 206 Ca 0.23 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.80 1qf3 s PHE 206 Cb -0.00 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1qf3 s PHE 206 CO -0.01 0.49 0.16 0.45 -0.10 0.00 0.00 175.22 176.22 1qf3 s SER 207 N -2.92 -0.06 0.06 1.36 0.15 -0.53 -1.52 113.70 110.25 1qf3 s SER 207 Ca 0.22 -0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.81 1qf3 s SER 207 Cb -0.06 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1qf3 s SER 207 CO 0.10 -0.28 0.08 0.00 1.20 0.00 0.00 173.24 174.34 1qf3 s ALA 208 N -0.92 0.08 0.22 5.45 0.00 -0.59 -1.09 121.76 124.91 1qf3 s ALA 208 Ca -0.10 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 1qf3 s ALA 208 Cb -0.05 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1qf3 s ALA 208 CO 0.01 -0.40 0.56 -1.54 0.00 0.00 0.00 175.76 174.40 1qf3 s SER 209 N -2.65 -0.24 0.20 0.00 1.04 -1.24 -2.13 113.70 108.69 1qf3 s SER 209 Ca 0.02 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1qf3 s SER 209 Cb 0.04 0.62 -0.00 0.00 0.10 0.00 0.00 66.02 66.77 1qf3 s SER 209 CO -0.09 -1.14 0.24 0.61 0.98 0.00 0.00 173.24 173.85 1qf3 n GLY 210 N -0.38 2.86 0.00 7.32 0.00 -0.77 -1.32 105.19 112.90 1qf3 n GLY 210 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1qf3 n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qf3 n SER 211 N -1.99 0.07 -0.02 1.61 3.41 0.51 0.42 113.62 117.64 1qf3 n SER 211 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.54 1qf3 n SER 211 Cb 0.35 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 1qf3 n SER 211 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1qf3 h LEU 212 N 0.00 -0.07 0.00 1.04 6.46 -1.92 -3.01 115.31 117.81 1qf3 h LEU 212 Ca 0.00 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1qf3 h LEU 212 Cb 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1qf3 h LEU 212 CO 0.00 0.62 -1.22 0.61 -0.62 0.00 0.00 178.44 177.83 1qf3 n GLY 213 N 1.25 -1.30 3.52 3.75 0.00 -1.26 -4.83 105.19 106.32 1qf3 n GLY 213 Ca -0.06 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1qf3 n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qf3 s GLY 214 N -4.21 1.97 -0.03 -0.02 0.00 -1.26 -1.73 107.32 102.04 1qf3 s GLY 214 Ca -0.01 -1.41 -0.18 0.00 0.00 0.00 0.00 44.72 43.12 1qf3 s GLY 214 CO 0.82 0.80 0.40 0.50 0.00 0.00 0.00 173.10 175.62 1qf3 s ARG 215 N 1.73 0.74 0.10 2.90 0.52 0.28 -0.36 118.95 124.87 1qf3 s ARG 215 Ca 0.06 -0.04 -0.26 0.00 -0.52 0.00 0.00 55.73 54.97 1qf3 s ARG 215 Cb -0.18 0.34 0.08 0.00 0.52 0.00 0.00 34.95 35.71 1qf3 s ARG 215 CO 0.11 -0.21 0.98 1.14 0.02 0.00 0.00 175.30 177.34 1qf3 s GLN 216 N -1.19 1.04 0.03 3.54 -2.07 -1.21 -4.08 119.66 115.71 1qf3 s GLN 216 Ca -0.12 -0.55 -0.28 0.00 -1.82 0.00 0.00 55.36 52.60 1qf3 s GLN 216 Cb -0.04 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.21 1qf3 s GLN 216 CO 0.05 -0.47 0.87 0.42 -1.32 0.00 0.00 175.29 174.84 1qf3 s ILE 217 N -3.16 4.78 -0.26 3.63 1.01 -0.12 -4.89 121.20 122.19 1qf3 s ILE 217 Ca 0.11 1.84 0.02 0.00 0.00 0.00 0.00 60.65 62.63 1qf3 s ILE 217 Cb -0.01 -4.22 0.07 0.00 0.01 0.00 0.00 42.46 38.31 1qf3 s ILE 217 CO -0.00 0.27 -0.06 -1.00 0.00 0.00 0.00 174.94 174.14 1qf3 s HIS 218 N 0.46 2.98 -0.04 3.97 3.76 -1.26 -2.08 115.29 123.07 1qf3 s HIS 218 Ca 0.45 -2.20 0.04 0.00 -0.15 0.00 0.00 55.06 53.20 1qf3 s HIS 218 Cb -0.21 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 1qf3 s HIS 218 CO 0.25 -0.85 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.62 1qf3 s LEU 219 N 1.19 2.64 -0.20 0.89 1.43 0.21 -1.30 118.68 123.55 1qf3 s LEU 219 Ca -0.05 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1qf3 s LEU 219 Cb -0.19 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 1qf3 s LEU 219 CO -0.06 0.34 -0.09 -0.63 0.23 0.00 0.00 176.35 176.14 1qf3 s ILE 220 N -0.72 3.06 -0.22 -0.59 -1.09 -0.52 -1.75 121.20 119.36 1qf3 s ILE 220 Ca 0.11 -0.61 0.08 0.00 -2.23 0.00 0.00 60.65 58.01 1qf3 s ILE 220 Cb -0.11 -2.36 -0.21 0.00 -1.58 0.00 0.00 42.46 38.21 1qf3 s ILE 220 CO 0.00 0.46 -0.06 0.54 -1.23 0.00 0.00 174.94 174.66 1qf3 n ARG 221 N 4.56 0.67 -3.84 2.79 1.74 -0.42 -2.01 116.66 120.16 1qf3 n ARG 221 Ca -0.19 0.10 -0.08 0.00 -0.77 0.00 0.00 57.85 56.91 1qf3 n ARG 221 Cb 0.51 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 1qf3 n ARG 221 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qf3 s SER 222 N -6.12 -0.25 -0.29 0.55 1.04 -1.23 -4.42 113.70 102.97 1qf3 s SER 222 Ca -0.24 -0.61 -0.15 0.00 0.48 0.00 0.00 55.95 55.43 1qf3 s SER 222 Cb 0.08 0.67 0.15 0.00 0.10 0.00 0.00 66.02 67.01 1qf3 s SER 222 CO 0.70 -1.23 0.96 0.86 0.98 0.00 0.00 173.24 175.51 1qf3 s TRP 223 N -3.92 -0.66 0.09 5.02 -0.00 -0.48 -2.96 118.94 116.03 1qf3 s TRP 223 Ca 0.12 1.24 0.08 0.00 -0.00 0.00 0.00 56.10 57.54 1qf3 s TRP 223 Cb -0.04 0.40 -0.03 0.00 -0.00 0.00 0.00 33.47 33.79 1qf3 s TRP 223 CO 0.04 -0.33 -0.21 -1.54 -0.00 0.00 0.00 176.95 174.92 1qf3 s SER 224 N 1.84 2.49 -0.07 5.86 1.04 -0.48 -0.04 113.70 124.34 1qf3 s SER 224 Ca -0.06 -0.66 -0.18 0.00 0.48 0.00 0.00 55.95 55.52 1qf3 s SER 224 Cb -0.05 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.97 1qf3 s SER 224 CO -0.16 0.07 0.43 0.12 0.98 0.00 0.00 173.24 174.67 1qf3 s PHE 225 N -1.12 -0.38 -0.18 5.02 2.19 -0.28 -2.22 117.98 121.01 1qf3 s PHE 225 Ca 0.06 0.75 -0.15 0.00 0.33 0.00 0.00 56.93 57.93 1qf3 s PHE 225 Cb -0.10 0.18 0.05 0.00 -1.31 0.00 0.00 43.02 41.85 1qf3 s PHE 225 CO 0.04 -0.38 0.47 0.99 1.83 0.00 0.00 175.22 178.16 1qf3 s THR 226 N -0.78 -0.01 0.01 0.12 2.01 -0.85 -1.50 115.64 114.65 1qf3 s THR 226 Ca -0.09 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1qf3 s THR 226 Cb -0.04 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 1qf3 s THR 226 CO 0.04 0.01 -0.02 -0.94 -0.69 0.00 0.00 174.62 173.02 1qf3 s SER 227 N 0.63 0.22 -0.04 3.53 1.04 -0.31 -1.45 113.70 117.32 1qf3 s SER 227 Ca -0.03 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 1qf3 s SER 227 Cb -0.05 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.15 1qf3 s SER 227 CO -0.04 -0.18 0.01 -0.89 0.98 0.00 0.00 173.24 173.12 1qf3 s THR 228 N -0.91 0.18 -0.13 2.02 2.01 -0.49 -1.80 115.64 116.52 1qf3 s THR 228 Ca -0.09 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 1qf3 s THR 228 Cb -0.06 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 1qf3 s THR 228 CO -0.01 0.18 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.75 1qf3 s LEU 229 N 1.41 2.74 -0.31 4.42 2.96 0.14 -1.90 118.68 128.14 1qf3 s LEU 229 Ca -0.04 -0.32 -0.28 0.00 -0.22 0.00 0.00 54.13 53.27 1qf3 s LEU 229 Cb -0.13 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1qf3 s LEU 229 CO -0.03 0.17 1.03 -0.63 -1.32 0.00 0.00 176.35 175.58 1qf3 s ILE 230 N 0.34 4.56 -1.09 6.68 1.01 -1.26 -0.64 121.20 130.80 1qf3 s ILE 230 Ca -0.11 1.69 -0.04 0.00 0.00 0.00 0.00 60.65 62.20 1qf3 s ILE 230 Cb -0.16 -4.37 0.30 0.00 0.01 0.00 0.00 42.46 38.24 1qf3 s ILE 230 CO 0.06 -0.42 1.60 0.35 0.00 0.00 0.00 174.94 176.52 1qf3 n THR 231 N 5.78 5.43 -0.06 2.92 -2.24 -1.26 -4.86 114.28 119.99 1qf3 n THR 231 Ca 0.11 -5.81 0.00 0.00 -2.27 0.00 0.00 64.05 56.07 1qf3 n THR 231 Cb 0.47 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 1qf3 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57