#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qz3 s THR 3 N 0.00 4.83 0.00 2.46 -4.23 -1.26 -5.01 115.64 112.43 2qz3 s THR 3 Ca 0.00 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2qz3 s THR 3 Cb 0.00 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2qz3 s THR 3 CO 0.00 -0.68 0.45 -0.90 -0.54 0.00 0.00 174.62 172.95 2qz3 n ASP 4 N -1.74 0.88 -3.90 3.99 5.68 0.47 -4.96 116.55 116.97 2qz3 n ASP 4 Ca 0.02 -1.09 -0.12 0.00 -0.50 0.00 0.00 54.79 53.09 2qz3 n ASP 4 Cb 0.54 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.39 2qz3 n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2qz3 s TYR 5 N -0.09 0.12 -0.16 2.11 5.04 -0.59 -4.79 117.35 118.99 2qz3 s TYR 5 Ca 0.00 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 2qz3 s TYR 5 Cb 0.00 -0.08 0.02 0.00 0.35 0.00 0.00 41.96 42.25 2qz3 s TYR 5 CO 0.00 -0.03 -0.15 -0.46 -1.34 0.00 0.00 175.55 173.57 2qz3 s TRP 6 N -0.27 2.29 -0.20 4.97 -0.00 -1.26 -1.46 118.94 123.01 2qz3 s TRP 6 Ca -0.02 -1.32 -0.05 0.00 -0.00 0.00 0.00 56.10 54.71 2qz3 s TRP 6 Cb -0.02 -1.65 -0.02 0.00 -0.00 0.00 0.00 33.47 31.77 2qz3 s TRP 6 CO -0.00 -0.70 0.00 -1.14 -0.00 0.00 0.00 176.95 175.11 2qz3 s GLN 7 N 1.45 3.63 -0.30 5.86 2.00 0.33 -5.00 119.66 127.64 2qz3 s GLN 7 Ca 0.05 -0.51 -0.02 0.00 -2.00 0.00 0.00 55.36 52.87 2qz3 s GLN 7 Cb -0.13 -3.08 0.12 0.00 0.80 0.00 0.00 33.01 30.72 2qz3 s GLN 7 CO -0.11 0.03 0.22 1.21 -0.50 0.00 0.00 175.29 176.14 2qz3 s ASN 8 N 0.96 2.52 -0.02 6.67 2.47 -1.26 -0.98 114.94 125.31 2qz3 s ASN 8 Ca 0.01 -1.08 0.03 0.00 0.42 0.00 0.00 52.86 52.24 2qz3 s ASN 8 Cb -0.14 0.10 0.00 0.00 -1.45 0.00 0.00 41.25 39.76 2qz3 s ASN 8 CO 0.02 -0.40 -0.09 0.86 -3.72 0.00 0.00 177.10 173.76 2qz3 s TRP 9 N 2.16 0.96 0.04 0.43 -0.00 -0.30 -5.03 118.94 117.20 2qz3 s TRP 9 Ca 0.10 -0.23 0.02 0.00 -0.00 0.00 0.00 56.10 55.99 2qz3 s TRP 9 Cb -0.15 -0.67 -0.02 0.00 -0.00 0.00 0.00 33.47 32.62 2qz3 s TRP 9 CO -0.32 -0.08 -0.07 -0.08 -0.00 0.00 0.00 176.95 176.39 2qz3 s THR 10 N 0.09 0.51 -2.00 5.86 -1.32 -1.26 -1.13 115.64 116.39 2qz3 s THR 10 Ca -0.02 -1.09 0.28 0.00 -1.21 0.00 0.00 61.69 59.65 2qz3 s THR 10 Cb -0.08 -0.61 0.79 0.00 -1.51 0.00 0.00 72.50 71.10 2qz3 s THR 10 CO 0.00 -0.40 2.07 -0.90 -2.21 0.00 0.00 174.62 173.18 2qz3 n ASP 11 N 1.43 0.01 0.00 8.08 5.68 -0.10 -4.88 116.55 126.77 2qz3 n ASP 11 Ca -0.23 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 2qz3 n ASP 11 Cb 0.55 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2qz3 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qz3 n GLY 12 N 0.94 1.30 3.75 6.12 0.00 -1.26 -5.00 105.19 111.04 2qz3 n GLY 12 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2qz3 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qz3 s GLY 13 N -2.36 2.47 0.00 -0.02 0.00 -1.26 -4.85 107.32 101.31 2qz3 s GLY 13 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.96 2qz3 s GLY 13 CO 0.00 2.15 0.00 0.61 0.00 0.00 0.00 173.10 175.86 2qz3 n GLY 14 N 2.04 2.10 3.07 0.20 0.00 -1.19 -2.94 105.19 108.47 2qz3 n GLY 14 Ca 0.05 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 2qz3 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qz3 s ILE 15 N 0.00 1.33 -0.29 -0.61 -1.09 -0.45 -4.97 121.20 115.12 2qz3 s ILE 15 Ca 0.00 -0.60 -0.00 0.00 -2.23 0.00 0.00 60.65 57.82 2qz3 s ILE 15 Cb 0.00 -1.19 0.09 0.00 -1.58 0.00 0.00 42.46 39.78 2qz3 s ILE 15 CO 0.00 0.40 0.06 -0.69 -1.23 0.00 0.00 174.94 173.48 2qz3 s VAL 16 N 0.56 1.06 -0.52 2.92 1.01 -1.26 -0.84 120.40 123.32 2qz3 s VAL 16 Ca -0.15 -1.36 -0.16 0.00 0.00 0.00 0.00 61.98 60.32 2qz3 s VAL 16 Cb -0.16 -1.70 0.12 0.00 0.00 0.00 0.00 36.38 34.63 2qz3 s VAL 16 CO 0.05 -0.53 0.48 0.20 0.00 0.00 0.00 175.10 175.30 2qz3 s ASN 17 N 1.55 6.18 -0.04 3.32 0.01 0.28 -4.99 114.94 121.25 2qz3 s ASN 17 Ca 0.06 -1.67 0.01 0.00 -0.71 0.00 0.00 52.86 50.55 2qz3 s ASN 17 Cb -0.18 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 2qz3 s ASN 17 CO -0.19 -0.81 -0.04 0.00 -1.51 0.00 0.00 177.10 174.55 2qz3 s ALA 18 N 1.64 3.12 -0.18 0.60 0.00 -1.26 -0.98 121.76 124.69 2qz3 s ALA 18 Ca 0.03 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.09 2qz3 s ALA 18 Cb -0.28 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.57 2qz3 s ALA 18 CO 0.04 0.60 -0.20 0.08 0.00 0.00 0.00 175.76 176.28 2qz3 s VAL 19 N -0.92 2.03 -0.78 0.00 1.01 0.36 -4.99 120.40 117.10 2qz3 s VAL 19 Ca 0.15 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 2qz3 s VAL 19 Cb -0.11 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.48 2qz3 s VAL 19 CO 0.05 0.54 1.25 0.21 0.00 0.00 0.00 175.10 177.14 2qz3 s ASN 20 N 1.30 6.25 0.72 3.32 2.47 -1.26 -2.22 114.94 125.52 2qz3 s ASN 20 Ca 0.05 -0.81 -0.01 0.00 0.42 0.00 0.00 52.86 52.51 2qz3 s ASN 20 Cb -0.13 -2.53 0.03 0.00 -1.45 0.00 0.00 41.25 37.17 2qz3 s ASN 20 CO -0.13 -1.67 0.18 0.61 -3.72 0.00 0.00 177.10 172.37 2qz3 n GLY 21 N 5.65 -0.23 3.77 1.21 0.00 -0.27 -5.02 105.19 110.29 2qz3 n GLY 21 Ca 0.08 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 2qz3 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qz3 s SER 22 N -1.68 6.21 1.38 1.61 0.01 -1.26 -4.60 113.70 115.36 2qz3 s SER 22 Ca 0.11 2.57 0.00 0.00 1.31 0.00 0.00 55.95 59.94 2qz3 s SER 22 Cb -0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2qz3 s SER 22 CO 0.07 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2qz3 n GLY 23 N 0.64 3.53 0.82 3.44 0.00 -1.26 -1.12 105.19 111.23 2qz3 n GLY 23 Ca 0.05 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2qz3 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qz3 n GLY 24 N 0.00 1.03 3.81 -0.02 0.00 -1.26 -4.93 105.19 103.83 2qz3 n GLY 24 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2qz3 n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qz3 s ASN 25 N -1.14 7.02 0.15 1.61 3.84 -0.28 -0.88 114.94 125.26 2qz3 s ASN 25 Ca 0.32 1.21 -0.09 0.00 0.21 0.00 0.00 52.86 54.50 2qz3 s ASN 25 Cb 0.17 -2.34 -0.00 0.00 -0.55 0.00 0.00 41.25 38.52 2qz3 s ASN 25 CO 0.23 0.28 0.27 -0.72 -2.79 0.00 0.00 177.10 174.37 2qz3 s TYR 26 N -1.10 0.31 0.07 0.43 -0.85 0.46 -1.11 117.35 115.55 2qz3 s TYR 26 Ca 0.28 -0.69 0.01 0.00 -0.52 0.00 0.00 57.07 56.15 2qz3 s TYR 26 Cb -0.19 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 2qz3 s TYR 26 CO 0.18 -0.68 -0.06 -1.54 -1.52 0.00 0.00 175.55 171.93 2qz3 s SER 27 N -2.94 0.83 -0.01 -0.18 1.04 -0.94 -1.21 113.70 110.30 2qz3 s SER 27 Ca 0.14 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2qz3 s SER 27 Cb 0.04 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.28 2qz3 s SER 27 CO -0.03 -0.44 0.01 -0.69 0.98 0.00 0.00 173.24 173.07 2qz3 s VAL 28 N -3.09 -0.01 -0.11 5.02 1.01 -0.53 -0.49 120.40 122.21 2qz3 s VAL 28 Ca 0.04 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2qz3 s VAL 28 Cb 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.37 2qz3 s VAL 28 CO -0.05 0.04 -0.13 0.20 0.00 0.00 0.00 175.10 175.16 2qz3 s ASN 29 N 0.41 2.30 0.07 3.32 0.01 -0.15 -0.81 114.94 120.08 2qz3 s ASN 29 Ca -0.03 -0.39 0.02 0.00 -0.71 0.00 0.00 52.86 51.75 2qz3 s ASN 29 Cb -0.05 -1.00 -0.03 0.00 0.41 0.00 0.00 41.25 40.57 2qz3 s ASN 29 CO -0.01 -0.02 -0.07 -1.66 -1.51 0.00 0.00 177.10 173.83 2qz3 s TRP 30 N 1.15 0.76 -0.13 2.20 -2.14 -0.03 -0.55 118.94 120.20 2qz3 s TRP 30 Ca -0.04 -0.72 -0.08 0.00 2.66 0.00 0.00 56.10 57.92 2qz3 s TRP 30 Cb -0.14 -0.45 0.05 0.00 -3.10 0.00 0.00 33.47 29.82 2qz3 s TRP 30 CO -0.03 -0.13 0.31 -1.54 -2.66 0.00 0.00 176.95 172.90 2qz3 s SER 31 N -2.32 -0.35 -1.49 -2.66 1.04 -0.02 -0.61 113.70 107.28 2qz3 s SER 31 Ca 0.01 0.66 -0.04 0.00 0.48 0.00 0.00 55.95 57.06 2qz3 s SER 31 Cb -0.02 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2qz3 s SER 31 CO -0.03 -0.16 0.42 0.59 0.98 0.00 0.00 173.24 175.05 2qz3 n ASN 32 N 3.86 -0.69 -4.87 7.02 3.02 -0.72 -1.35 115.26 121.53 2qz3 n ASN 32 Ca -0.21 -1.06 -0.30 0.00 -0.03 0.00 0.00 54.58 52.98 2qz3 n ASN 32 Cb 0.55 -2.74 0.04 0.00 -0.61 0.00 0.00 39.78 37.02 2qz3 n ASN 32 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qz3 s THR 33 N -3.90 3.76 0.00 3.41 -4.23 -0.62 -3.20 115.64 110.86 2qz3 s THR 33 Ca 0.15 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 2qz3 s THR 33 Cb -0.08 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2qz3 s THR 33 CO 0.92 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 2qz3 n GLY 34 N -2.83 1.14 3.75 3.99 0.00 -1.15 -1.56 105.19 108.52 2qz3 n GLY 34 Ca 0.07 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2qz3 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qz3 s ASN 35 N -1.00 7.28 0.06 1.61 0.01 -1.26 -3.26 114.94 118.38 2qz3 s ASN 35 Ca 0.00 2.16 -0.17 0.00 -0.71 0.00 0.00 52.86 54.13 2qz3 s ASN 35 Cb 0.00 -2.61 0.03 0.00 0.41 0.00 0.00 41.25 39.08 2qz3 s ASN 35 CO 0.00 -0.18 0.40 0.72 -1.51 0.00 0.00 177.10 176.53 2qz3 s PHE 36 N -0.63 -0.24 -0.09 2.20 -0.71 -0.67 -0.93 117.98 116.91 2qz3 s PHE 36 Ca 0.47 0.15 -0.04 0.00 -1.04 0.00 0.00 56.93 56.47 2qz3 s PHE 36 Cb -0.30 0.21 0.05 0.00 -1.21 0.00 0.00 43.02 41.76 2qz3 s PHE 36 CO 0.37 -0.58 0.19 0.14 -1.34 0.00 0.00 175.22 173.99 2qz3 s VAL 37 N -2.68 -0.18 -0.04 -2.49 -7.23 -0.28 -1.47 120.40 106.02 2qz3 s VAL 37 Ca -0.04 0.26 0.02 0.00 -1.81 0.00 0.00 61.98 60.41 2qz3 s VAL 37 Cb -0.00 -0.32 0.01 0.00 0.56 0.00 0.00 36.38 36.63 2qz3 s VAL 37 CO -0.04 0.11 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.08 2qz3 s VAL 38 N 1.80 0.83 -0.05 1.32 1.01 -0.29 -1.16 120.40 123.86 2qz3 s VAL 38 Ca -0.03 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 2qz3 s VAL 38 Cb -0.12 -0.77 0.13 0.00 0.00 0.00 0.00 36.38 35.62 2qz3 s VAL 38 CO -0.07 0.27 1.35 -0.83 0.00 0.00 0.00 175.10 175.82 2qz3 s GLY 39 N 0.52 -0.39 0.09 4.51 0.00 -0.15 -0.29 107.32 111.62 2qz3 s GLY 39 Ca -0.09 0.65 0.10 0.00 0.00 0.00 0.00 44.72 45.38 2qz3 s GLY 39 CO 0.01 1.46 -0.25 0.54 0.00 0.00 0.00 173.10 174.87 2qz3 s LYS 40 N -2.19 1.65 0.00 2.90 1.02 -1.15 -0.51 119.74 121.46 2qz3 s LYS 40 Ca 0.18 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.96 2qz3 s LYS 40 Cb 0.05 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2qz3 s LYS 40 CO -0.04 0.48 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 2qz3 n GLY 41 N 1.23 -0.45 3.03 -3.33 0.00 -0.53 -0.84 105.19 104.30 2qz3 n GLY 41 Ca -0.17 0.35 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2qz3 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qz3 s TRP 42 N 0.00 0.87 0.31 1.61 0.51 -0.05 -0.39 118.94 121.80 2qz3 s TRP 42 Ca 0.00 -0.16 0.07 0.00 -2.12 0.00 0.00 56.10 53.89 2qz3 s TRP 42 Cb 0.00 -0.56 0.51 0.00 -0.81 0.00 0.00 33.47 32.61 2qz3 s TRP 42 CO 0.00 -0.02 1.74 1.79 -0.51 0.00 0.00 176.95 179.95 2qz3 h THR 43 N 4.91 1.29 -3.68 2.01 1.35 -1.86 -0.59 112.91 116.34 2qz3 h THR 43 Ca -0.31 -1.39 -0.68 0.00 -0.55 0.00 0.00 66.41 63.48 2qz3 h THR 43 Cb 1.18 1.59 -0.36 0.00 -1.73 0.00 0.00 68.15 68.83 2qz3 h THR 43 CO 0.50 0.42 -0.67 -0.89 -0.25 0.00 0.00 175.52 174.62 2qz3 s THR 44 N -4.25 2.79 0.79 6.82 2.01 -1.26 -2.81 115.64 119.73 2qz3 s THR 44 Ca -0.05 -1.86 -0.13 0.00 0.31 0.00 0.00 61.69 59.96 2qz3 s THR 44 Cb 0.14 -2.81 0.07 0.00 0.01 0.00 0.00 72.50 69.91 2qz3 s THR 44 CO 0.76 -0.39 1.19 -0.83 -0.69 0.00 0.00 174.62 174.66 2qz3 s GLY 45 N 1.32 2.13 0.00 4.40 0.00 0.45 -4.88 107.32 110.74 2qz3 s GLY 45 Ca 0.02 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.52 2qz3 s GLY 45 CO -0.04 1.18 -0.01 -0.45 0.00 0.00 0.00 173.10 173.78 2qz3 s SER 46 N -2.28 0.07 0.00 1.64 0.15 -1.26 -4.82 113.70 107.20 2qz3 s SER 46 Ca 0.72 -0.03 0.17 0.00 0.70 0.00 0.00 55.95 57.50 2qz3 s SER 46 Cb -0.27 -0.00 0.72 0.00 -1.71 0.00 0.00 66.02 64.75 2qz3 s SER 46 CO 0.50 -0.00 1.53 -0.81 1.20 0.00 0.00 173.24 175.65 2qz3 n PRO 47 N 3.01 0.02 -0.10 5.44 -0.04 -1.26 -2.50 135.00 139.58 2qz3 n PRO 47 Ca -0.13 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 2qz3 n PRO 47 Cb 0.60 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.74 2qz3 n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qz3 n PHE 48 N -1.49 0.25 -1.85 0.54 3.72 -1.26 -2.88 117.46 114.50 2qz3 n PHE 48 Ca 0.04 -0.13 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 2qz3 n PHE 48 Cb 0.19 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 2qz3 n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2qz3 s ARG 49 N -1.75 4.16 -0.19 -1.08 6.06 -1.04 -4.76 118.95 120.36 2qz3 s ARG 49 Ca 0.34 2.50 -0.03 0.00 -2.50 0.00 0.00 55.73 56.04 2qz3 s ARG 49 Cb 0.21 -3.04 -0.02 0.00 0.06 0.00 0.00 34.95 32.17 2qz3 s ARG 49 CO 0.31 -0.56 -0.05 0.99 -2.50 0.00 0.00 175.30 173.49 2qz3 s THR 50 N -0.15 3.51 -0.23 4.11 2.01 -1.26 -2.01 115.64 121.61 2qz3 s THR 50 Ca 0.61 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 62.09 2qz3 s THR 50 Cb -0.46 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 2qz3 s THR 50 CO 0.48 0.45 0.01 -0.63 -0.69 0.00 0.00 174.62 174.25 2qz3 s ILE 51 N 0.99 3.85 -0.12 1.82 1.09 -0.04 -4.97 121.20 123.81 2qz3 s ILE 51 Ca 0.00 -0.33 -0.07 0.00 -1.10 0.00 0.00 60.65 59.15 2qz3 s ILE 51 Cb -0.15 -2.77 -0.04 0.00 -1.06 0.00 0.00 42.46 38.44 2qz3 s ILE 51 CO 0.01 0.39 0.12 0.20 -0.10 0.00 0.00 174.94 175.55 2qz3 s ASN 52 N 1.48 6.24 0.12 3.58 0.01 0.02 -0.18 114.94 126.22 2qz3 s ASN 52 Ca 0.06 0.42 -0.13 0.00 -0.71 0.00 0.00 52.86 52.49 2qz3 s ASN 52 Cb -0.15 -2.00 0.02 0.00 0.41 0.00 0.00 41.25 39.53 2qz3 s ASN 52 CO 0.00 0.39 0.34 -0.72 -1.51 0.00 0.00 177.10 175.60 2qz3 s TYR 53 N -0.93 -0.05 -0.15 2.20 1.13 0.08 -0.85 117.35 118.79 2qz3 s TYR 53 Ca 0.14 -0.31 -0.04 0.00 -1.41 0.00 0.00 57.07 55.46 2qz3 s TYR 53 Cb -0.12 0.15 0.05 0.00 -1.10 0.00 0.00 41.96 40.94 2qz3 s TYR 53 CO 0.03 -0.67 0.06 1.21 -2.51 0.00 0.00 175.55 173.68 2qz3 s ASN 54 N -2.84 2.27 -0.75 -0.18 3.04 -0.27 0.17 114.94 116.38 2qz3 s ASN 54 Ca 0.05 -0.53 -0.21 0.00 0.04 0.00 0.00 52.86 52.21 2qz3 s ASN 54 Cb 0.03 -0.34 0.10 0.00 -1.54 0.00 0.00 41.25 39.49 2qz3 s ASN 54 CO -0.10 -0.31 0.99 0.00 -3.04 0.00 0.00 177.10 174.64 2qz3 s ALA 55 N 2.05 3.25 0.25 1.71 0.00 -1.26 -1.53 121.76 126.23 2qz3 s ALA 55 Ca 0.02 -2.24 0.17 0.00 0.00 0.00 0.00 51.96 49.91 2qz3 s ALA 55 Cb -0.15 -3.89 0.71 0.00 0.00 0.00 0.00 23.12 19.79 2qz3 s ALA 55 CO -0.08 -2.80 1.76 0.78 0.00 0.00 0.00 175.76 175.43 2qz3 h GLY 56 N 10.81 0.00 -6.21 0.00 0.00 -1.22 -0.78 103.07 105.68 2qz3 h GLY 56 Ca -0.12 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.73 2qz3 h GLY 56 CO 1.14 0.00 -0.80 0.14 0.00 0.00 0.00 176.54 177.03 2qz3 s VAL 57 N -3.78 0.87 -0.30 4.60 1.01 -1.02 -4.82 120.40 116.95 2qz3 s VAL 57 Ca -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2qz3 s VAL 57 Cb 0.12 -0.85 0.11 0.00 0.00 0.00 0.00 36.38 35.76 2qz3 s VAL 57 CO 0.70 0.31 0.17 0.86 0.00 0.00 0.00 175.10 177.13 2qz3 s TRP 58 N 1.04 0.23 -0.44 5.22 -0.11 -1.26 -1.39 118.94 122.23 2qz3 s TRP 58 Ca -0.08 -0.84 0.09 0.00 1.22 0.00 0.00 56.10 56.48 2qz3 s TRP 58 Cb -0.14 -0.82 0.32 0.00 -1.50 0.00 0.00 33.47 31.32 2qz3 s TRP 58 CO -0.00 -0.85 0.72 0.00 -4.62 0.00 0.00 176.95 172.20 2qz3 n ALA 59 N 5.12 2.80 -2.04 5.86 0.00 -0.12 -5.04 120.51 127.09 2qz3 n ALA 59 Ca -0.03 -3.77 -0.27 0.00 0.00 0.00 0.00 53.44 49.37 2qz3 n ALA 59 Cb 0.42 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.05 2qz3 n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qz3 s PRO 60 N -2.34 2.82 0.26 0.00 0.04 -1.26 -2.30 135.00 132.22 2qz3 s PRO 60 Ca 0.41 0.01 0.01 0.00 0.04 0.00 0.00 61.00 61.47 2qz3 s PRO 60 Cb 0.28 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2qz3 s PRO 60 CO -0.09 -0.80 0.14 0.54 0.04 0.00 0.00 177.00 176.82 2qz3 s ASN 61 N -4.34 1.02 0.73 6.66 2.20 0.68 -4.68 114.94 117.22 2qz3 s ASN 61 Ca 0.55 -1.46 0.00 0.00 -0.94 0.00 0.00 52.86 51.01 2qz3 s ASN 61 Cb -0.11 0.32 0.00 0.00 -2.00 0.00 0.00 41.25 39.46 2qz3 s ASN 61 CO 0.46 -0.83 0.00 0.61 -2.94 0.00 0.00 177.10 174.40 2qz3 n GLY 62 N -0.45 1.77 3.36 0.45 0.00 -1.26 -3.46 105.19 105.59 2qz3 n GLY 62 Ca 0.01 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 2qz3 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qz3 s ASN 63 N -4.00 6.31 -0.05 1.61 0.01 -1.21 -2.45 114.94 115.15 2qz3 s ASN 63 Ca 0.00 -1.75 -0.02 0.00 -0.71 0.00 0.00 52.86 50.37 2qz3 s ASN 63 Cb 0.00 -2.28 0.04 0.00 0.41 0.00 0.00 41.25 39.42 2qz3 s ASN 63 CO 0.00 -0.97 0.10 -0.83 -1.51 0.00 0.00 177.10 173.88 2qz3 s GLY 64 N 3.41 0.10 -0.01 0.66 0.00 -1.26 -1.08 107.32 109.15 2qz3 s GLY 64 Ca 0.12 0.40 0.07 0.00 0.00 0.00 0.00 44.72 45.31 2qz3 s GLY 64 CO 0.02 1.30 -0.22 -0.19 0.00 0.00 0.00 173.10 174.00 2qz3 s TYR 65 N 1.87 2.01 -0.40 1.90 2.02 0.19 -2.09 117.35 122.84 2qz3 s TYR 65 Ca -0.00 -0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 2qz3 s TYR 65 Cb -0.12 -1.28 0.05 0.00 -0.40 0.00 0.00 41.96 40.20 2qz3 s TYR 65 CO -0.04 -0.02 0.25 -1.17 -1.57 0.00 0.00 175.55 173.00 2qz3 s LEU 66 N -0.61 4.99 -0.20 -1.29 2.96 -0.09 -0.97 118.68 123.47 2qz3 s LEU 66 Ca 0.09 -1.18 -0.17 0.00 -0.22 0.00 0.00 54.13 52.65 2qz3 s LEU 66 Cb -0.09 -2.05 0.05 0.00 0.50 0.00 0.00 46.19 44.61 2qz3 s LEU 66 CO -0.01 -0.47 0.53 0.28 -1.32 0.00 0.00 176.35 175.36 2qz3 s THR 67 N 1.54 -0.00 0.37 3.68 -1.32 -0.69 -0.68 115.64 118.55 2qz3 s THR 67 Ca 0.03 0.01 -0.28 0.00 -1.21 0.00 0.00 61.69 60.23 2qz3 s THR 67 Cb -0.21 -0.74 -0.11 0.00 -1.51 0.00 0.00 72.50 69.93 2qz3 s THR 67 CO 0.06 0.00 1.50 -0.22 -2.21 0.00 0.00 174.62 173.75 2qz3 s LEU 68 N 0.49 4.31 -0.11 9.08 2.96 0.15 -0.30 118.68 135.27 2qz3 s LEU 68 Ca -0.02 3.06 -0.07 0.00 -0.22 0.00 0.00 54.13 56.89 2qz3 s LEU 68 Cb -0.04 -3.67 0.04 0.00 0.50 0.00 0.00 46.19 43.02 2qz3 s LEU 68 CO -0.02 -0.89 0.27 -0.47 -1.32 0.00 0.00 176.35 173.92 2qz3 s TYR 69 N -1.04 -0.36 0.21 5.38 5.04 0.41 -1.43 117.35 125.55 2qz3 s TYR 69 Ca 0.54 0.85 -0.21 0.00 -2.44 0.00 0.00 57.07 55.80 2qz3 s TYR 69 Cb -0.47 0.09 0.07 0.00 0.35 0.00 0.00 41.96 42.00 2qz3 s TYR 69 CO 0.63 -0.23 1.01 0.20 -1.34 0.00 0.00 175.55 175.82 2qz3 s GLY 70 N 1.07 0.14 0.05 8.97 0.00 -0.81 -0.14 107.32 116.60 2qz3 s GLY 70 Ca -0.08 -0.39 0.04 0.00 0.00 0.00 0.00 44.72 44.29 2qz3 s GLY 70 CO -0.07 2.21 -0.11 -0.98 0.00 0.00 0.00 173.10 174.15 2qz3 s TRP 71 N -2.17 0.94 0.30 1.90 0.52 -0.91 -0.69 118.94 118.83 2qz3 s TRP 71 Ca 0.21 -0.45 0.08 0.00 0.02 0.00 0.00 56.10 55.97 2qz3 s TRP 71 Cb -0.03 -0.55 -0.06 0.00 -1.15 0.00 0.00 33.47 31.68 2qz3 s TRP 71 CO 0.06 -0.01 -0.09 0.95 0.02 0.00 0.00 176.95 177.88 2qz3 s THR 72 N -1.22 1.93 0.28 2.01 -4.23 -0.24 -1.70 115.64 112.48 2qz3 s THR 72 Ca -0.05 -2.18 0.11 0.00 -1.18 0.00 0.00 61.69 58.39 2qz3 s THR 72 Cb -0.09 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 2qz3 s THR 72 CO 0.01 -0.29 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.56 2qz3 s ARG 73 N -3.66 1.94 -1.01 3.99 0.52 0.92 -1.71 118.95 119.95 2qz3 s ARG 73 Ca 0.30 -1.65 -0.07 0.00 -0.52 0.00 0.00 55.73 53.79 2qz3 s ARG 73 Cb 0.02 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.52 2qz3 s ARG 73 CO 0.13 0.31 0.87 0.45 0.02 0.00 0.00 175.30 177.09 2qz3 n SER 74 N -0.76 -6.67 -4.92 0.23 2.88 -1.26 -2.14 113.62 100.98 2qz3 n SER 74 Ca -0.05 -0.65 -0.26 0.00 -1.33 0.00 0.00 58.87 56.57 2qz3 n SER 74 Cb 0.60 -4.99 0.02 0.00 -0.75 0.00 0.00 64.21 59.09 2qz3 n SER 74 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2qz3 s PRO 75 N -4.37 3.03 -0.28 -1.46 0.04 -1.26 -1.96 135.00 128.74 2qz3 s PRO 75 Ca 0.39 -0.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.12 2qz3 s PRO 75 Cb -0.06 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 2qz3 s PRO 75 CO 0.76 -0.58 1.66 -1.17 0.04 0.00 0.00 177.00 177.71 2qz3 s LEU 76 N -4.91 3.72 -0.02 -3.56 2.96 -1.26 -4.00 118.68 111.61 2qz3 s LEU 76 Ca 0.52 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 2qz3 s LEU 76 Cb -0.10 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2qz3 s LEU 76 CO 0.44 -1.44 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.40 2qz3 s ILE 77 N 5.83 0.16 -0.18 6.68 -1.09 -0.69 -3.79 121.20 128.12 2qz3 s ILE 77 Ca 0.74 0.07 -0.08 0.00 -2.23 0.00 0.00 60.65 59.14 2qz3 s ILE 77 Cb -0.23 -0.24 -0.04 0.00 -1.58 0.00 0.00 42.46 40.37 2qz3 s ILE 77 CO 0.31 0.12 0.10 -0.70 -1.23 0.00 0.00 174.94 173.55 2qz3 s GLU 78 N 0.84 3.95 0.14 2.79 2.12 -0.94 -1.08 118.70 126.52 2qz3 s GLU 78 Ca -0.08 -0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.04 2qz3 s GLU 78 Cb -0.12 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2qz3 s GLU 78 CO -0.02 0.38 -0.13 1.52 -0.54 0.00 0.00 175.26 176.48 2qz3 s TYR 79 N 0.10 1.36 0.00 5.30 -0.85 0.13 -1.40 117.35 122.00 2qz3 s TYR 79 Ca 0.07 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.00 2qz3 s TYR 79 Cb -0.12 -0.70 -0.00 0.00 0.38 0.00 0.00 41.96 41.53 2qz3 s TYR 79 CO -0.00 0.14 -0.00 0.71 -1.52 0.00 0.00 175.55 174.87 2qz3 s TYR 80 N -2.61 0.04 -0.30 -3.49 1.51 -0.27 -1.93 117.35 110.30 2qz3 s TYR 80 Ca 0.12 -0.02 0.03 0.00 -1.01 0.00 0.00 57.07 56.19 2qz3 s TYR 80 Cb -0.02 -0.03 0.08 0.00 -0.11 0.00 0.00 41.96 41.88 2qz3 s TYR 80 CO 0.02 -0.01 -0.01 0.08 -1.11 0.00 0.00 175.55 174.53 2qz3 s VAL 81 N -0.05 2.07 -0.35 0.71 1.01 -0.52 -1.35 120.40 121.92 2qz3 s VAL 81 Ca -0.00 -1.95 -0.18 0.00 0.00 0.00 0.00 61.98 59.85 2qz3 s VAL 81 Cb -0.00 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 2qz3 s VAL 81 CO -0.00 -0.38 0.50 -0.69 0.00 0.00 0.00 175.10 174.53 2qz3 s VAL 82 N 1.06 5.03 -0.08 2.92 1.01 0.76 -0.67 120.40 130.44 2qz3 s VAL 82 Ca 0.03 0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.40 2qz3 s VAL 82 Cb -0.19 -3.95 -0.24 0.00 0.00 0.00 0.00 36.38 32.00 2qz3 s VAL 82 CO -0.08 -0.21 0.53 0.47 0.00 0.00 0.00 175.10 175.80 2qz3 n ASP 83 N 5.70 0.95 -3.85 3.32 8.00 0.15 -1.23 116.55 129.59 2qz3 n ASP 83 Ca -0.05 0.32 -0.09 0.00 0.71 0.00 0.00 54.79 55.68 2qz3 n ASP 83 Cb 0.49 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 2qz3 n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2qz3 s SER 84 N -6.15 -0.15 0.03 -2.24 0.15 -1.09 -0.74 113.70 103.51 2qz3 s SER 84 Ca -0.08 -0.67 -0.00 0.00 0.70 0.00 0.00 55.95 55.89 2qz3 s SER 84 Cb 0.08 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2qz3 s SER 84 CO 0.81 -1.04 0.04 -2.67 1.20 0.00 0.00 173.24 171.59 2qz3 n TRP 85 N -0.32 -0.70 0.00 3.44 2.14 -1.26 -0.91 117.44 119.83 2qz3 n TRP 85 Ca -0.07 -0.17 0.00 0.00 2.07 0.00 0.00 57.50 59.33 2qz3 n TRP 85 Cb 0.62 0.05 0.00 0.00 -0.81 0.00 0.00 31.31 31.17 2qz3 n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2qz3 n GLY 86 N -0.04 0.68 0.22 -1.67 0.00 -0.89 -4.84 105.19 98.66 2qz3 n GLY 86 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2qz3 n GLY 86 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qz3 h THR 87 N 0.00 1.29 -3.26 2.61 2.02 -1.75 -3.45 112.91 110.37 2qz3 h THR 87 Ca 0.00 -1.93 -0.67 0.00 0.77 0.00 0.00 66.41 64.58 2qz3 h THR 87 Cb 0.00 1.91 -0.33 0.00 -1.74 0.00 0.00 68.15 67.99 2qz3 h THR 87 CO 0.00 0.61 -0.86 -0.31 0.37 0.00 0.00 175.52 175.34 2qz3 s TYR 88 N -3.83 2.67 0.01 3.16 2.02 -1.21 -5.01 117.35 115.16 2qz3 s TYR 88 Ca -0.10 -1.18 -0.28 0.00 -0.37 0.00 0.00 57.07 55.15 2qz3 s TYR 88 Cb 0.09 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 2qz3 s TYR 88 CO 0.89 -0.52 0.90 0.50 -1.57 0.00 0.00 175.55 175.75 2qz3 s ARG 89 N 0.66 4.55 0.23 -0.62 3.52 -1.26 -4.74 118.95 121.28 2qz3 s ARG 89 Ca -0.10 1.27 -0.30 0.00 -0.13 0.00 0.00 55.73 56.47 2qz3 s ARG 89 Cb -0.16 -3.43 -0.09 0.00 -1.56 0.00 0.00 34.95 29.71 2qz3 s ARG 89 CO 0.02 0.05 1.19 -1.25 -0.81 0.00 0.00 175.30 174.50 2qz3 s PRO 90 N 0.69 4.51 0.23 5.12 0.04 -1.26 -5.03 135.00 139.30 2qz3 s PRO 90 Ca 0.47 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.42 2qz3 s PRO 90 Cb -0.21 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 2qz3 s PRO 90 CO 0.26 -0.03 0.16 0.95 0.04 0.00 0.00 177.00 178.38 2qz3 s THR 91 N -0.45 0.00 0.00 1.26 -4.23 -1.26 -4.93 115.64 106.03 2qz3 s THR 91 Ca 0.50 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2qz3 s THR 91 Cb -0.33 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2qz3 s THR 91 CO 0.40 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 2qz3 n GLY 92 N -0.34 3.13 3.63 3.99 0.00 -1.26 -5.01 105.19 109.32 2qz3 n GLY 92 Ca 0.03 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2qz3 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qz3 s THR 93 N -0.36 4.14 0.10 2.61 2.01 -0.17 -4.87 115.64 119.11 2qz3 s THR 93 Ca 0.00 1.30 -0.31 0.00 0.31 0.00 0.00 61.69 62.99 2qz3 s THR 93 Cb 0.00 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.30 2qz3 s THR 93 CO 0.00 -0.44 1.36 -0.47 -0.69 0.00 0.00 174.62 174.38 2qz3 s TYR 94 N 4.32 3.26 -0.11 4.92 5.04 -1.26 -1.65 117.35 131.87 2qz3 s TYR 94 Ca 0.56 1.00 0.03 0.00 -2.44 0.00 0.00 57.07 56.22 2qz3 s TYR 94 Cb -0.17 -3.64 -0.08 0.00 0.35 0.00 0.00 41.96 38.41 2qz3 s TYR 94 CO 0.22 -2.22 -0.06 1.63 -1.34 0.00 0.00 175.55 173.78 2qz3 n LYS 95 N 4.00 0.97 -3.98 4.97 4.01 0.33 -4.98 118.16 123.50 2qz3 n LYS 95 Ca 0.11 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 2qz3 n LYS 95 Cb 0.43 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.72 2qz3 n LYS 95 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qz3 n GLY 96 N 2.81 -0.56 3.12 0.72 0.00 -1.22 -4.99 105.19 105.06 2qz3 n GLY 96 Ca -0.18 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 2qz3 n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qz3 s THR 97 N -3.00 0.59 -0.02 2.61 -4.23 -1.26 -0.25 115.64 110.08 2qz3 s THR 97 Ca 0.00 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 58.90 2qz3 s THR 97 Cb 0.00 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.59 2qz3 s THR 97 CO 0.00 -0.70 0.03 0.54 -0.54 0.00 0.00 174.62 173.95 2qz3 s VAL 98 N -2.82 -0.02 -0.18 2.29 0.11 0.27 -4.90 120.40 115.15 2qz3 s VAL 98 Ca 0.03 0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 59.04 2qz3 s VAL 98 Cb -0.00 -0.06 -0.05 0.00 -1.53 0.00 0.00 36.38 34.74 2qz3 s VAL 98 CO -0.03 0.03 0.17 -0.54 -3.33 0.00 0.00 175.10 171.39 2qz3 s LYS 99 N 0.33 4.11 -0.27 1.54 1.02 -1.26 0.15 119.74 125.36 2qz3 s LYS 99 Ca -0.03 -0.14 -0.24 0.00 0.02 0.00 0.00 55.97 55.59 2qz3 s LYS 99 Cb -0.04 -3.39 0.09 0.00 -0.52 0.00 0.00 37.83 33.97 2qz3 s LYS 99 CO -0.01 0.35 0.81 0.45 -0.92 0.00 0.00 175.35 176.03 2qz3 s SER 100 N 0.20 -0.68 -1.47 2.83 0.15 -0.58 -4.98 113.70 109.16 2qz3 s SER 100 Ca 0.11 1.28 -0.09 0.00 0.70 0.00 0.00 55.95 57.95 2qz3 s SER 100 Cb -0.12 1.30 0.06 0.00 -1.71 0.00 0.00 66.02 65.55 2qz3 s SER 100 CO 0.00 -0.22 0.86 0.47 1.20 0.00 0.00 173.24 175.55 2qz3 n ASP 101 N 2.77 -3.44 -0.03 5.45 8.00 -1.26 -1.62 116.55 126.42 2qz3 n ASP 101 Ca -0.14 -0.81 -0.00 0.00 0.71 0.00 0.00 54.79 54.54 2qz3 n ASP 101 Cb 0.56 -3.83 -0.00 0.00 -0.02 0.00 0.00 41.12 37.82 2qz3 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qz3 n GLY 102 N -1.67 0.42 3.31 0.44 0.00 -1.26 -4.95 105.19 101.48 2qz3 n GLY 102 Ca -0.07 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 2qz3 n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qz3 s GLY 103 N -2.08 1.29 -0.14 -0.02 0.00 -0.64 -5.14 107.32 100.59 2qz3 s GLY 103 Ca 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.12 2qz3 s GLY 103 CO 0.00 -1.69 -0.13 -1.59 0.00 0.00 0.00 173.10 169.69 2qz3 s THR 104 N -3.13 3.03 -0.03 0.90 2.01 -1.26 -1.53 115.64 115.63 2qz3 s THR 104 Ca 0.20 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.60 2qz3 s THR 104 Cb 0.01 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2qz3 s THR 104 CO 0.04 0.52 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.00 2qz3 s TYR 105 N 0.49 2.58 0.23 4.92 1.51 0.12 -0.55 117.35 126.64 2qz3 s TYR 105 Ca -0.09 -0.25 -0.27 0.00 -1.01 0.00 0.00 57.07 55.45 2qz3 s TYR 105 Cb -0.16 -1.57 -0.09 0.00 -0.11 0.00 0.00 41.96 40.04 2qz3 s TYR 105 CO 0.04 0.13 0.86 -0.51 -1.11 0.00 0.00 175.55 174.96 2qz3 s ASP 106 N -0.79 7.45 -0.20 2.29 1.01 0.36 -0.57 116.67 126.22 2qz3 s ASP 106 Ca 0.11 1.77 -0.08 0.00 0.71 0.00 0.00 52.55 55.06 2qz3 s ASP 106 Cb -0.10 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2qz3 s ASP 106 CO 0.01 0.13 0.09 -0.63 0.21 0.00 0.00 175.17 174.98 2qz3 s ILE 107 N -1.28 4.94 0.14 0.77 1.01 0.65 -0.38 121.20 127.05 2qz3 s ILE 107 Ca 0.41 0.02 0.05 0.00 0.00 0.00 0.00 60.65 61.14 2qz3 s ILE 107 Cb -0.23 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2qz3 s ILE 107 CO 0.27 0.42 -0.12 -0.31 0.00 0.00 0.00 174.94 175.20 2qz3 s TYR 108 N 0.66 1.32 0.08 3.97 2.02 -0.17 -0.51 117.35 124.72 2qz3 s TYR 108 Ca 0.05 -0.65 0.09 0.00 -0.37 0.00 0.00 57.07 56.19 2qz3 s TYR 108 Cb -0.13 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 2qz3 s TYR 108 CO 0.01 0.12 -0.24 0.95 -1.57 0.00 0.00 175.55 174.82 2qz3 s THR 109 N -2.72 1.95 0.19 -0.71 -4.23 -0.66 -0.45 115.64 109.02 2qz3 s THR 109 Ca 0.13 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 2qz3 s THR 109 Cb -0.01 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 2qz3 s THR 109 CO 0.02 0.17 0.13 0.42 -0.54 0.00 0.00 174.62 174.81 2qz3 s THR 110 N -0.94 0.01 -0.03 3.99 -4.23 -0.62 -1.00 115.64 112.83 2qz3 s THR 110 Ca 0.10 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 2qz3 s THR 110 Cb -0.10 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 2qz3 s THR 110 CO 0.03 -0.07 -0.18 -0.89 -0.54 0.00 0.00 174.62 172.97 2qz3 s THR 111 N -4.14 1.48 -0.17 3.99 2.01 -1.26 -0.18 115.64 117.37 2qz3 s THR 111 Ca 0.37 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 2qz3 s THR 111 Cb 0.07 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 2qz3 s THR 111 CO 0.10 0.42 -0.07 -0.60 -0.69 0.00 0.00 174.62 173.78 2qz3 s ARG 112 N -0.26 3.47 -0.07 4.92 6.06 0.07 -4.96 118.95 128.18 2qz3 s ARG 112 Ca 0.03 -0.62 0.01 0.00 -2.50 0.00 0.00 55.73 52.66 2qz3 s ARG 112 Cb -0.09 -2.85 -0.03 0.00 0.06 0.00 0.00 34.95 32.05 2qz3 s ARG 112 CO 0.00 0.08 -0.08 0.71 -2.50 0.00 0.00 175.30 173.51 2qz3 s TYR 113 N 0.75 2.89 -1.37 5.12 1.51 -1.26 -1.26 117.35 123.73 2qz3 s TYR 113 Ca -0.03 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.00 2qz3 s TYR 113 Cb -0.15 -1.70 -0.00 0.00 -0.11 0.00 0.00 41.96 40.00 2qz3 s TYR 113 CO 0.02 0.30 0.48 0.09 -1.11 0.00 0.00 175.55 175.33 2qz3 n ASN 114 N 2.26 -0.70 -4.23 2.29 3.02 -0.70 -4.92 115.26 112.29 2qz3 n ASN 114 Ca -0.18 -0.98 -0.14 0.00 -0.03 0.00 0.00 54.58 53.25 2qz3 n ASN 114 Cb 0.53 -3.23 -0.10 0.00 -0.61 0.00 0.00 39.78 36.37 2qz3 n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qz3 s ALA 115 N -3.89 1.34 0.39 5.41 0.00 0.65 -4.58 121.76 121.08 2qz3 s ALA 115 Ca 0.03 -1.40 -0.27 0.00 0.00 0.00 0.00 51.96 50.32 2qz3 s ALA 115 Cb -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.06 2qz3 s ALA 115 CO 0.87 -0.08 1.33 -2.14 0.00 0.00 0.00 175.76 175.74 2qz3 s PRO 116 N -3.48 4.05 0.26 0.00 0.02 -0.84 -0.59 135.00 134.43 2qz3 s PRO 116 Ca 0.13 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.39 2qz3 s PRO 116 Cb 0.01 -2.84 -0.01 0.00 0.02 0.00 0.00 34.50 31.68 2qz3 s PRO 116 CO 0.00 -0.44 0.29 -1.13 -0.33 0.00 0.00 177.00 175.39 2qz3 n SER 117 N 0.29 -0.79 0.07 2.53 3.41 -0.08 -4.92 113.62 114.12 2qz3 n SER 117 Ca 0.03 -2.53 0.07 0.00 -0.26 0.00 0.00 58.87 56.18 2qz3 n SER 117 Cb 0.43 1.60 0.33 0.00 -0.26 0.00 0.00 64.21 66.30 2qz3 n SER 117 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2qz3 n ILE 118 N -0.45 1.25 1.00 -1.33 -5.35 -1.26 -2.60 119.36 110.61 2qz3 n ILE 118 Ca 0.03 0.42 0.11 0.00 -0.27 0.00 0.00 62.75 63.04 2qz3 n ILE 118 Cb 0.45 -1.34 -0.06 0.00 -1.74 0.00 0.00 39.64 36.95 2qz3 n ILE 118 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2qz3 n ASP 119 N -1.84 1.46 0.00 7.28 9.92 -1.26 -5.07 116.55 127.05 2qz3 n ASP 119 Ca 0.01 -1.23 0.00 0.00 -0.53 0.00 0.00 54.79 53.05 2qz3 n ASP 119 Cb 0.11 0.75 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 2qz3 n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qz3 n GLY 120 N 1.46 0.57 0.13 0.44 0.00 -1.07 -4.99 105.19 101.73 2qz3 n GLY 120 Ca 0.06 -1.39 0.01 0.00 0.00 0.00 0.00 46.02 44.70 2qz3 n GLY 120 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2qz3 h ASP 121 N 0.00 0.00 -3.25 1.61 3.58 -1.84 -0.19 116.42 116.33 2qz3 h ASP 121 Ca 0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 2qz3 h ASP 121 Cb 0.00 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 40.65 2qz3 h ASP 121 CO 0.00 0.59 -0.74 -0.60 -2.88 0.00 0.00 179.24 175.62 2qz3 s ARG 122 N -2.93 1.52 0.15 0.28 3.52 -1.25 -1.99 118.95 118.25 2qz3 s ARG 122 Ca 0.03 -2.35 0.02 0.00 -0.13 0.00 0.00 55.73 53.30 2qz3 s ARG 122 Cb 0.08 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 2qz3 s ARG 122 CO 0.76 -1.23 -0.03 0.95 -0.81 0.00 0.00 175.30 174.95 2qz3 s THR 123 N -0.13 0.73 -0.06 4.11 -4.23 0.25 -4.70 115.64 111.60 2qz3 s THR 123 Ca 0.22 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.81 2qz3 s THR 123 Cb -0.15 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 2qz3 s THR 123 CO -0.07 -0.61 -0.23 -0.89 -0.54 0.00 0.00 174.62 172.28 2qz3 s THR 124 N -3.62 1.91 0.02 3.99 2.01 -1.26 -0.25 115.64 118.43 2qz3 s THR 124 Ca 0.20 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 61.02 2qz3 s THR 124 Cb 0.06 -1.62 0.04 0.00 0.01 0.00 0.00 72.50 70.99 2qz3 s THR 124 CO 0.01 0.53 0.45 0.72 -0.69 0.00 0.00 174.62 175.65 2qz3 s PHE 125 N -0.09 -0.34 0.33 4.92 -0.71 -0.39 -5.00 117.98 116.70 2qz3 s PHE 125 Ca -0.05 0.43 -0.23 0.00 -1.04 0.00 0.00 56.93 56.05 2qz3 s PHE 125 Cb -0.13 0.24 -0.10 0.00 -1.21 0.00 0.00 43.02 41.82 2qz3 s PHE 125 CO 0.04 -0.55 0.88 0.99 -1.34 0.00 0.00 175.22 175.24 2qz3 s THR 126 N -1.99 4.37 -0.08 -4.49 2.01 -1.25 -0.75 115.64 113.46 2qz3 s THR 126 Ca -0.08 1.56 0.04 0.00 0.31 0.00 0.00 61.69 63.52 2qz3 s THR 126 Cb -0.02 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 2qz3 s THR 126 CO 0.01 0.02 -0.22 -1.10 -0.69 0.00 0.00 174.62 172.65 2qz3 s GLN 127 N -2.37 2.80 -0.12 4.92 -0.21 0.75 -2.20 119.66 123.23 2qz3 s GLN 127 Ca 0.52 -0.85 -0.04 0.00 0.02 0.00 0.00 55.36 55.01 2qz3 s GLN 127 Cb -0.15 -2.28 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 2qz3 s GLN 127 CO 0.20 0.32 0.01 0.71 -2.12 0.00 0.00 175.29 174.42 2qz3 s TYR 128 N 0.00 3.17 -0.01 0.91 2.02 -0.49 -1.59 117.35 121.36 2qz3 s TYR 128 Ca -0.08 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.73 2qz3 s TYR 128 Cb -0.15 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 2qz3 s TYR 128 CO 0.05 0.29 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.63 2qz3 s TRP 129 N -0.32 1.06 -0.19 2.71 0.52 0.41 -1.12 118.94 122.01 2qz3 s TRP 129 Ca 0.07 -0.22 -0.02 0.00 0.02 0.00 0.00 56.10 55.95 2qz3 s TRP 129 Cb -0.12 -0.70 -0.01 0.00 -1.15 0.00 0.00 33.47 31.49 2qz3 s TRP 129 CO 0.02 -0.04 -0.09 -1.12 0.02 0.00 0.00 176.95 175.74 2qz3 s SER 130 N -0.16 4.09 -0.15 2.95 0.01 -0.46 -1.00 113.70 118.98 2qz3 s SER 130 Ca 0.02 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.90 2qz3 s SER 130 Cb -0.06 -1.67 0.02 0.00 0.21 0.00 0.00 66.02 64.52 2qz3 s SER 130 CO -0.00 0.04 -0.17 -0.69 0.41 0.00 0.00 173.24 172.83 2qz3 s VAL 131 N 1.10 1.74 0.45 3.43 1.01 0.49 -0.17 120.40 128.45 2qz3 s VAL 131 Ca 0.01 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 2qz3 s VAL 131 Cb -0.15 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 2qz3 s VAL 131 CO -0.02 0.49 1.36 -1.14 0.00 0.00 0.00 175.10 175.79 2qz3 n ARG 132 N 4.61 2.07 0.12 2.72 0.63 -0.37 -0.49 116.66 125.95 2qz3 n ARG 132 Ca -0.19 0.74 -0.03 0.00 -0.92 0.00 0.00 57.85 57.46 2qz3 n ARG 132 Cb 0.50 -2.53 0.15 0.00 0.45 0.00 0.00 32.46 31.04 2qz3 n ARG 132 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2qz3 h GLN 133 N 2.12 0.09 -5.31 -0.14 4.20 -1.18 -3.43 115.11 111.46 2qz3 h GLN 133 Ca -0.50 -0.06 -0.39 0.00 0.06 0.00 0.00 58.65 57.76 2qz3 h GLN 133 Cb 1.28 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 28.91 2qz3 h GLN 133 CO 0.60 0.67 -0.74 -1.54 -0.67 0.00 0.00 178.83 177.15 2qz3 s SER 134 N -6.87 1.98 0.26 1.46 1.04 -1.26 -5.09 113.70 105.22 2qz3 s SER 134 Ca -0.02 -0.89 -0.31 0.00 0.48 0.00 0.00 55.95 55.21 2qz3 s SER 134 Cb 0.12 -0.06 -0.12 0.00 0.10 0.00 0.00 66.02 66.07 2qz3 s SER 134 CO 0.78 -0.21 1.59 0.29 0.98 0.00 0.00 173.24 176.67 2qz3 n LYS 135 N 0.21 2.60 -2.42 4.02 5.02 -1.26 -4.93 118.16 121.40 2qz3 n LYS 135 Ca -0.13 0.93 -0.42 0.00 -2.02 0.00 0.00 58.31 56.67 2qz3 n LYS 135 Cb 0.58 -2.70 -0.03 0.00 -0.02 0.00 0.00 35.03 32.86 2qz3 n LYS 135 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2qz3 s ARG 136 N -0.10 4.47 0.35 1.97 3.52 0.08 -4.99 118.95 124.24 2qz3 s ARG 136 Ca 0.67 1.79 -0.26 0.00 -0.13 0.00 0.00 55.73 57.81 2qz3 s ARG 136 Cb -0.53 -3.31 -0.13 0.00 -1.56 0.00 0.00 34.95 29.43 2qz3 s ARG 136 CO 0.45 -0.17 0.95 -2.30 -0.81 0.00 0.00 175.30 173.41 2qz3 n PRO 137 N 3.36 1.24 -4.34 5.12 -0.02 -1.26 -4.81 135.00 134.29 2qz3 n PRO 137 Ca 0.07 0.44 -0.26 0.00 -2.02 0.00 0.00 63.50 61.73 2qz3 n PRO 137 Cb 0.46 -1.85 -0.09 0.00 -0.02 0.00 0.00 33.50 32.00 2qz3 n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2qz3 s THR 138 N -1.18 2.27 0.00 3.45 -4.23 -1.26 -4.72 115.64 109.97 2qz3 s THR 138 Ca 0.61 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2qz3 s THR 138 Cb -0.65 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.24 2qz3 s THR 138 CO 0.59 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 2qz3 n GLY 139 N -1.09 0.54 3.47 3.99 0.00 -0.30 -4.99 105.19 106.81 2qz3 n GLY 139 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 2qz3 n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qz3 s SER 140 N -2.77 3.39 -0.14 1.61 1.04 -1.26 -4.90 113.70 110.66 2qz3 s SER 140 Ca 0.00 -1.09 -0.29 0.00 0.48 0.00 0.00 55.95 55.04 2qz3 s SER 140 Cb 0.00 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 2qz3 s SER 140 CO 0.00 -0.10 1.47 0.20 0.98 0.00 0.00 173.24 175.79 2qz3 s ASN 141 N -3.50 6.73 0.20 7.02 0.01 -1.26 -4.37 114.94 119.77 2qz3 s ASN 141 Ca 0.30 1.84 0.10 0.00 -0.71 0.00 0.00 52.86 54.39 2qz3 s ASN 141 Cb -0.01 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 2qz3 s ASN 141 CO 0.14 -0.93 -0.17 0.00 -1.51 0.00 0.00 177.10 174.63 2qz3 s ALA 142 N 4.05 2.75 -0.00 0.60 0.00 0.13 -4.97 121.76 124.31 2qz3 s ALA 142 Ca 0.64 -1.60 0.05 0.00 0.00 0.00 0.00 51.96 51.05 2qz3 s ALA 142 Cb -0.26 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 2qz3 s ALA 142 CO 0.23 0.42 -0.15 0.99 0.00 0.00 0.00 175.76 177.26 2qz3 s THR 143 N -1.79 1.16 -0.23 0.00 2.01 -1.26 -0.74 115.64 114.79 2qz3 s THR 143 Ca 0.24 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 2qz3 s THR 143 Cb -0.08 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.48 2qz3 s THR 143 CO 0.13 0.29 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.61 2qz3 s ILE 144 N -0.41 2.56 -0.95 1.82 1.01 0.75 -4.80 121.20 121.19 2qz3 s ILE 144 Ca 0.05 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 2qz3 s ILE 144 Cb -0.06 -2.25 0.15 0.00 0.01 0.00 0.00 42.46 40.31 2qz3 s ILE 144 CO -0.00 0.29 1.11 -0.89 0.00 0.00 0.00 174.94 175.44 2qz3 s THR 145 N 1.30 4.94 0.41 2.92 2.01 -1.26 -0.86 115.64 125.09 2qz3 s THR 145 Ca 0.01 -1.89 0.08 0.00 0.31 0.00 0.00 61.69 60.20 2qz3 s THR 145 Cb -0.16 -4.74 0.24 0.00 0.01 0.00 0.00 72.50 67.85 2qz3 s THR 145 CO -0.07 -1.44 2.02 0.15 -0.69 0.00 0.00 174.62 174.59 2qz3 h PHE 146 N 8.42 0.43 -0.69 4.92 3.57 -1.72 -2.16 116.94 129.71 2qz3 h PHE 146 Ca 0.17 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.78 2qz3 h PHE 146 Cb 1.01 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 2qz3 h PHE 146 CO 1.13 0.33 0.46 0.66 -2.23 0.00 0.00 178.31 178.66 2qz3 h SER 147 N 0.45 0.42 -0.70 0.41 4.64 -1.68 -0.33 113.55 116.76 2qz3 h SER 147 Ca 0.11 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.50 2qz3 h SER 147 Cb 0.06 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 2qz3 h SER 147 CO -0.02 0.24 0.41 0.78 -0.87 0.00 0.00 176.83 177.37 2qz3 h ASN 148 N 0.46 0.63 -0.09 4.97 -0.26 -1.71 0.50 115.58 120.08 2qz3 h ASN 148 Ca 0.33 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 56.07 2qz3 h ASN 148 Cb 0.66 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.80 2qz3 h ASN 148 CO -0.10 0.42 -0.03 0.45 -1.06 0.00 0.00 177.43 177.10 2qz3 h HIS 149 N 0.77 0.21 -0.53 1.19 3.86 -1.39 -1.45 115.15 117.81 2qz3 h HIS 149 Ca 0.30 -0.05 0.09 0.00 -1.16 0.00 0.00 60.37 59.56 2qz3 h HIS 149 Cb 0.13 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.48 2qz3 h HIS 149 CO -0.06 0.52 0.11 0.28 0.86 0.00 0.00 177.93 179.63 2qz3 h VAL 150 N -0.16 0.69 -0.24 2.45 2.07 -0.87 0.96 116.25 121.15 2qz3 h VAL 150 Ca 0.02 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2qz3 h VAL 150 Cb 0.46 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2qz3 h VAL 150 CO 0.01 0.04 0.02 0.78 0.02 0.00 0.00 177.57 178.44 2qz3 h ASN 151 N 0.24 0.40 -0.57 0.57 2.35 -0.89 -0.88 115.58 116.79 2qz3 h ASN 151 Ca 0.27 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2qz3 h ASN 151 Cb 0.37 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 2qz3 h ASN 151 CO -0.35 0.59 0.37 0.00 -1.65 0.00 0.00 177.43 176.39 2qz3 h ALA 152 N 0.83 0.73 -0.37 -0.83 0.00 -0.98 -2.04 119.26 116.59 2qz3 h ALA 152 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2qz3 h ALA 152 Cb 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2qz3 h ALA 152 CO 0.01 0.14 0.21 -1.49 0.00 0.00 0.00 179.25 178.12 2qz3 h TRP 153 N 0.76 0.39 -0.89 0.00 6.55 -0.61 -2.32 115.95 119.83 2qz3 h TRP 153 Ca 0.21 0.01 0.13 0.00 0.95 0.00 0.00 58.89 60.20 2qz3 h TRP 153 Cb -0.07 -0.12 -0.09 0.00 -0.86 0.00 0.00 29.16 28.02 2qz3 h TRP 153 CO -0.04 0.23 0.51 0.87 -1.05 0.00 0.00 178.44 178.96 2qz3 h LYS 154 N 0.43 0.75 0.00 0.49 1.57 -0.89 0.57 116.57 119.49 2qz3 h LYS 154 Ca 0.15 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2qz3 h LYS 154 Cb 0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 2qz3 h LYS 154 CO -0.08 0.50 -0.16 0.66 -0.57 0.00 0.00 179.45 179.81 2qz3 h SER 155 N 0.77 0.00 -0.54 0.86 4.64 -0.82 -1.56 113.55 116.91 2qz3 h SER 155 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2qz3 h SER 155 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2qz3 h SER 155 CO -0.31 0.16 0.00 1.41 -0.87 0.00 0.00 176.83 177.22 2qz3 n HIS 156 N -3.72 1.21 -1.05 4.77 8.25 -0.40 -4.92 115.22 119.35 2qz3 n HIS 156 Ca -0.02 -0.49 -0.02 0.00 -0.26 0.00 0.00 57.72 56.94 2qz3 n HIS 156 Cb 0.27 -0.20 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 2qz3 n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qz3 n GLY 157 N 1.02 0.54 3.29 -1.41 0.00 -0.58 -4.99 105.19 103.07 2qz3 n GLY 157 Ca 0.21 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 2qz3 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qz3 s MET 158 N -1.57 3.49 -0.08 1.61 -1.94 0.06 -4.98 119.30 115.88 2qz3 s MET 158 Ca 0.00 -2.55 -0.14 0.00 -1.71 0.00 0.00 55.69 51.29 2qz3 s MET 158 Cb 0.00 -4.32 -0.05 0.00 2.01 0.00 0.00 34.83 32.47 2qz3 s MET 158 CO 0.00 -1.27 0.35 -0.80 -0.01 0.00 0.00 175.02 173.29 2qz3 s ASN 159 N 1.82 6.62 0.65 3.03 -0.87 -1.26 -2.87 114.94 122.05 2qz3 s ASN 159 Ca 0.19 0.74 -0.09 0.00 -1.57 0.00 0.00 52.86 52.13 2qz3 s ASN 159 Cb -0.11 -2.21 0.01 0.00 -0.02 0.00 0.00 41.25 38.91 2qz3 s ASN 159 CO -0.08 0.21 1.00 -0.76 -2.57 0.00 0.00 177.10 174.90 2qz3 s LEU 160 N -0.32 3.07 0.86 0.60 1.43 -1.26 -4.91 118.68 118.15 2qz3 s LEU 160 Ca 0.21 0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 2qz3 s LEU 160 Cb -0.15 -3.72 0.11 0.00 0.03 0.00 0.00 46.19 42.46 2qz3 s LEU 160 CO 0.09 -1.20 1.09 -0.83 0.23 0.00 0.00 176.35 175.73 2qz3 s GLY 161 N -4.33 1.63 0.03 -3.19 0.00 -1.26 -4.71 107.32 95.50 2qz3 s GLY 161 Ca 0.56 0.04 0.24 0.00 0.00 0.00 0.00 44.72 45.56 2qz3 s GLY 161 CO 0.48 0.49 1.31 -1.14 0.00 0.00 0.00 173.10 174.23 2qz3 n SER 162 N -3.79 0.58 -4.22 1.64 3.41 -0.83 -4.70 113.62 105.72 2qz3 n SER 162 Ca 0.08 -0.21 -0.38 0.00 -0.26 0.00 0.00 58.87 58.10 2qz3 n SER 162 Cb 0.55 0.36 -0.12 0.00 -0.26 0.00 0.00 64.21 64.74 2qz3 n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2qz3 s ASN 163 N -3.38 5.31 -0.14 4.04 3.84 -0.91 -5.01 114.94 118.68 2qz3 s ASN 163 Ca 0.09 -1.46 -0.24 0.00 0.21 0.00 0.00 52.86 51.46 2qz3 s ASN 163 Cb 0.16 -1.86 -0.02 0.00 -0.55 0.00 0.00 41.25 38.97 2qz3 s ASN 163 CO 0.73 -0.42 0.74 0.26 -2.79 0.00 0.00 177.10 175.62 2qz3 s TRP 164 N 1.32 3.47 0.00 0.43 0.52 -1.26 -0.05 118.94 123.37 2qz3 s TRP 164 Ca 0.01 1.18 0.00 0.00 0.02 0.00 0.00 56.10 57.31 2qz3 s TRP 164 Cb -0.21 -2.89 0.00 0.00 -1.15 0.00 0.00 33.47 29.22 2qz3 s TRP 164 CO 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 176.95 176.87 2qz3 n ALA 165 N 4.67 0.00 -1.33 0.98 0.00 -0.69 -4.49 120.51 119.65 2qz3 n ALA 165 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 2qz3 n ALA 165 Cb 0.50 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.09 2qz3 n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2qz3 s TYR 166 N 2.12 2.39 -0.25 0.00 -0.85 -1.12 -0.41 117.35 119.24 2qz3 s TYR 166 Ca 0.00 1.08 -0.04 0.00 -0.52 0.00 0.00 57.07 57.59 2qz3 s TYR 166 Cb 0.00 -3.23 0.13 0.00 0.38 0.00 0.00 41.96 39.25 2qz3 s TYR 166 CO 0.00 -2.41 0.43 -1.14 -1.52 0.00 0.00 175.55 170.91 2qz3 s GLN 167 N -5.05 0.39 0.10 -3.49 0.74 -0.23 -2.14 119.66 109.98 2qz3 s GLN 167 Ca 0.63 0.75 0.02 0.00 0.05 0.00 0.00 55.36 56.82 2qz3 s GLN 167 Cb -0.17 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.82 2qz3 s GLN 167 CO 0.56 -0.54 -0.08 0.14 -0.55 0.00 0.00 175.29 174.82 2qz3 s VAL 168 N 2.63 0.77 -0.40 1.34 -7.23 0.80 -0.87 120.40 117.44 2qz3 s VAL 168 Ca 0.10 -1.82 -0.18 0.00 -1.81 0.00 0.00 61.98 58.28 2qz3 s VAL 168 Cb -0.15 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.26 2qz3 s VAL 168 CO -0.16 -0.76 0.46 -0.32 -0.31 0.00 0.00 175.10 174.01 2qz3 s MET 169 N -3.45 3.24 0.26 4.82 1.75 -0.02 -0.44 119.30 125.46 2qz3 s MET 169 Ca 0.09 -0.59 0.11 0.00 -1.25 0.00 0.00 55.69 54.05 2qz3 s MET 169 Cb 0.02 -3.92 -0.05 0.00 2.84 0.00 0.00 34.83 33.72 2qz3 s MET 169 CO -0.03 -0.80 -0.13 0.00 -0.65 0.00 0.00 175.02 173.40 2qz3 s ALA 170 N 2.24 2.88 -0.28 4.11 0.00 0.59 -2.95 121.76 128.34 2qz3 s ALA 170 Ca 0.14 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.26 2qz3 s ALA 170 Cb -0.16 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 2qz3 s ALA 170 CO 0.14 0.31 0.18 0.99 0.00 0.00 0.00 175.76 177.39 2qz3 s THR 171 N -2.27 5.24 -0.01 0.00 2.01 0.60 -1.70 115.64 119.51 2qz3 s THR 171 Ca 0.29 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.46 2qz3 s THR 171 Cb -0.06 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 2qz3 s THR 171 CO 0.16 0.25 -0.14 0.00 -0.69 0.00 0.00 174.62 174.19 2qz3 s ALA 172 N 1.75 1.17 0.23 7.40 0.00 -0.15 -1.14 121.76 131.03 2qz3 s ALA 172 Ca 0.07 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 2qz3 s ALA 172 Cb -0.16 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.66 2qz3 s ALA 172 CO 0.10 0.29 0.50 0.20 0.00 0.00 0.00 175.76 176.85 2qz3 s GLY 173 N -0.32 0.32 -0.21 0.00 0.00 -0.54 0.55 107.32 107.13 2qz3 s GLY 173 Ca 0.05 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 44.00 2qz3 s GLY 173 CO -0.01 -0.50 0.48 -0.47 0.00 0.00 0.00 173.10 172.60 2qz3 s TYR 174 N -3.97 -0.81 -1.14 1.90 5.04 -0.24 -1.67 117.35 116.46 2qz3 s TYR 174 Ca 0.18 1.60 -0.20 0.00 -2.44 0.00 0.00 57.07 56.21 2qz3 s TYR 174 Cb -0.01 0.39 -0.01 0.00 0.35 0.00 0.00 41.96 42.68 2qz3 s TYR 174 CO 0.06 -0.45 0.79 1.04 -1.34 0.00 0.00 175.55 175.65 2qz3 n GLN 175 N 4.71 -1.30 -4.13 4.97 6.02 -0.60 -3.29 117.38 123.75 2qz3 n GLN 175 Ca -0.17 0.47 -0.11 0.00 -0.01 0.00 0.00 57.00 57.17 2qz3 n GLN 175 Cb 0.54 -4.17 -0.10 0.00 1.02 0.00 0.00 30.24 27.52 2qz3 n GLN 175 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2qz3 s SER 176 N -3.49 1.03 0.04 1.08 0.15 -1.25 -3.60 113.70 107.66 2qz3 s SER 176 Ca 0.47 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 56.26 2qz3 s SER 176 Cb -0.16 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 2qz3 s SER 176 CO 0.86 -0.39 -0.06 -0.44 1.20 0.00 0.00 173.24 174.41 2qz3 s SER 177 N -2.60 0.66 0.00 5.45 0.01 -1.22 -1.59 113.70 114.41 2qz3 s SER 177 Ca 0.05 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2qz3 s SER 177 Cb 0.01 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2qz3 s SER 177 CO -0.03 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2qz3 n GLY 178 N 1.28 -0.49 3.13 3.44 0.00 0.22 -0.23 105.19 112.53 2qz3 n GLY 178 Ca -0.22 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 2qz3 n GLY 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qz3 s SER 179 N -4.00 -0.08 0.05 1.61 1.04 -0.97 -0.85 113.70 110.50 2qz3 s SER 179 Ca 0.00 -0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.32 2qz3 s SER 179 Cb 0.00 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.41 2qz3 s SER 179 CO 0.00 -0.32 0.24 -0.94 0.98 0.00 0.00 173.24 173.20 2qz3 s SER 180 N -1.04 -0.03 -0.15 7.02 1.04 0.01 -0.95 113.70 119.60 2qz3 s SER 180 Ca -0.11 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 55.94 2qz3 s SER 180 Cb -0.06 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.46 2qz3 s SER 180 CO 0.02 -0.61 0.32 0.21 0.98 0.00 0.00 173.24 174.16 2qz3 s ASN 181 N -2.18 0.12 0.00 7.02 3.04 -0.48 -1.45 114.94 121.02 2qz3 s ASN 181 Ca -0.04 0.73 0.00 0.00 0.04 0.00 0.00 52.86 53.60 2qz3 s ASN 181 Cb -0.00 0.91 -0.00 0.00 -1.54 0.00 0.00 41.25 40.61 2qz3 s ASN 181 CO -0.05 -0.23 -0.02 -0.69 -3.04 0.00 0.00 177.10 173.07 2qz3 s VAL 182 N 2.44 0.13 -0.09 -5.21 1.01 -0.35 -0.63 120.40 117.70 2qz3 s VAL 182 Ca -0.00 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2qz3 s VAL 182 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 2qz3 s VAL 182 CO -0.10 -0.01 -0.19 -0.89 0.00 0.00 0.00 175.10 173.92 2qz3 s THR 183 N -0.15 2.60 -0.03 3.92 2.01 -0.58 -0.41 115.64 123.00 2qz3 s THR 183 Ca -0.01 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.21 2qz3 s THR 183 Cb -0.01 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 2qz3 s THR 183 CO -0.00 0.56 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.56 2qz3 s VAL 184 N 0.00 1.86 0.00 3.82 1.01 -0.05 -1.11 120.40 125.92 2qz3 s VAL 184 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2qz3 s VAL 184 Cb -0.15 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2qz3 s VAL 184 CO 0.05 0.52 0.00 -2.67 0.00 0.00 0.00 175.10 173.00