#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkz s ILE 2 N 0.00 4.75 0.03 1.53 1.10 -1.26 -4.99 121.20 122.36 1qkz s ILE 2 Ca 0.00 1.21 -0.25 0.00 -0.51 0.00 0.00 60.65 61.10 1qkz s ILE 2 Cb 0.00 -4.19 -0.05 0.00 0.15 0.00 0.00 42.46 38.37 1qkz s ILE 2 CO 0.00 -0.30 0.77 -0.69 -2.11 0.00 0.00 174.94 172.61 1qkz s VAL 3 N 3.06 4.77 -0.18 4.00 1.01 -1.26 -4.80 120.40 127.00 1qkz s VAL 3 Ca 0.34 1.63 -0.01 0.00 0.00 0.00 0.00 61.98 63.94 1qkz s VAL 3 Cb -0.14 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1qkz s VAL 3 CO 0.13 0.34 -0.13 -0.04 0.00 0.00 0.00 175.10 175.41 1qkz s MET 4 N 0.07 3.21 -0.10 2.72 1.00 -1.26 -0.70 119.30 124.24 1qkz s MET 4 Ca 0.39 -0.73 0.04 0.00 0.00 0.00 0.00 55.69 55.38 1qkz s MET 4 Cb -0.20 -2.72 0.00 0.00 0.00 0.00 0.00 34.83 31.91 1qkz s MET 4 CO 0.23 -0.10 -0.22 0.99 0.00 0.00 0.00 175.02 175.92 1qkz s THR 5 N 1.11 1.96 -0.12 2.05 2.01 -0.13 -4.19 115.64 118.33 1qkz s THR 5 Ca 0.00 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1qkz s THR 5 Cb -0.14 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1qkz s THR 5 CO -0.04 0.54 0.03 -1.10 -0.69 0.00 0.00 174.62 173.35 1qkz s GLN 6 N 0.48 3.32 -0.07 4.92 -0.21 -1.26 -1.56 119.66 125.28 1qkz s GLN 6 Ca -0.16 -0.37 0.02 0.00 0.02 0.00 0.00 55.36 54.88 1qkz s GLN 6 Cb -0.17 -2.95 0.01 0.00 1.00 0.00 0.00 33.01 30.90 1qkz s GLN 6 CO 0.06 0.58 -0.12 0.99 -2.12 0.00 0.00 175.29 174.68 1qkz s THR 7 N -0.52 1.13 0.61 -0.19 2.01 -0.99 -4.20 115.64 113.48 1qkz s THR 7 Ca 0.10 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1qkz s THR 7 Cb -0.12 -1.04 0.13 0.00 0.01 0.00 0.00 72.50 71.49 1qkz s THR 7 CO 0.02 0.35 0.83 -0.81 -0.69 0.00 0.00 174.62 174.33 1qkz n PRO 8 N 3.87 -0.45 -0.06 4.92 -0.04 -1.26 -0.37 135.00 141.61 1qkz n PRO 8 Ca -0.22 -1.66 -0.15 0.00 -0.04 0.00 0.00 63.50 61.43 1qkz n PRO 8 Cb 0.52 -0.74 -0.06 0.00 -0.04 0.00 0.00 33.50 33.18 1qkz n PRO 8 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1qkz h LEU 9 N 0.00 0.84 -7.69 1.53 5.85 -1.87 -3.42 115.31 110.55 1qkz h LEU 9 Ca -0.27 -0.56 -0.22 0.00 0.84 0.00 0.00 57.88 57.66 1qkz h LEU 9 Cb 0.84 -0.24 -0.28 0.00 0.37 0.00 0.00 40.66 41.35 1qkz h LEU 9 CO 0.23 1.25 -0.69 -0.55 -0.34 0.00 0.00 178.44 178.34 1qkz s SER 10 N -6.82 -0.03 -0.30 1.25 0.15 -1.26 -2.11 113.70 104.58 1qkz s SER 10 Ca -0.11 0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 1qkz s SER 10 Cb 0.08 0.05 0.10 0.00 -1.71 0.00 0.00 66.02 64.55 1qkz s SER 10 CO 0.87 -0.01 0.09 -0.22 1.20 0.00 0.00 173.24 175.16 1qkz s LEU 11 N 0.05 2.21 0.29 3.45 2.96 -0.36 -4.93 118.68 122.35 1qkz s LEU 11 Ca -0.00 -1.59 -0.28 0.00 -0.22 0.00 0.00 54.13 52.04 1qkz s LEU 11 Cb -0.01 -0.86 -0.09 0.00 0.50 0.00 0.00 46.19 45.73 1qkz s LEU 11 CO -0.00 -0.41 1.05 -2.84 -1.32 0.00 0.00 176.35 172.83 1qkz s PRO 12 N 1.62 4.60 0.09 0.98 0.02 -1.26 -1.75 135.00 139.31 1qkz s PRO 12 Ca 0.09 1.66 -0.06 0.00 0.02 0.00 0.00 61.00 62.71 1qkz s PRO 12 Cb -0.17 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.26 1qkz s PRO 12 CO -0.24 0.22 0.14 0.14 -0.33 0.00 0.00 177.00 176.93 1qkz s VAL 13 N -1.27 0.15 0.07 3.83 -7.23 0.13 -4.81 120.40 111.27 1qkz s VAL 13 Ca 0.46 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 1qkz s VAL 13 Cb -0.28 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1qkz s VAL 13 CO 0.36 -0.69 0.14 -0.44 -0.31 0.00 0.00 175.10 174.16 1qkz s SER 14 N -2.89 5.92 0.21 4.85 0.01 -1.26 0.27 113.70 120.81 1qkz s SER 14 Ca 0.08 0.12 -0.32 0.00 1.31 0.00 0.00 55.95 57.14 1qkz s SER 14 Cb 0.06 -1.71 -0.13 0.00 0.21 0.00 0.00 66.02 64.44 1qkz s SER 14 CO -0.09 0.17 1.51 0.18 0.41 0.00 0.00 173.24 175.42 1qkz n LEU 15 N 0.38 3.27 0.00 2.44 4.77 -1.26 -1.69 117.00 124.90 1qkz n LEU 15 Ca -0.07 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1qkz n LEU 15 Cb 0.51 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1qkz n LEU 15 CO 0.48 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1qkz n GLY 16 N 2.72 0.72 3.80 -0.72 0.00 0.05 -4.95 105.19 106.80 1qkz n GLY 16 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1qkz n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qkz s ASP 17 N -1.80 4.72 0.43 1.61 1.11 -0.68 -4.46 116.67 117.60 1qkz s ASP 17 Ca 0.00 1.47 -0.13 0.00 0.18 0.00 0.00 52.55 54.07 1qkz s ASP 17 Cb 0.00 -2.25 -0.07 0.00 1.07 0.00 0.00 42.92 41.67 1qkz s ASP 17 CO 0.00 -1.84 0.83 -1.10 1.18 0.00 0.00 175.17 174.24 1qkz s GLN 18 N -5.08 3.88 -0.02 8.23 -0.21 -1.26 -0.81 119.66 124.40 1qkz s GLN 18 Ca 0.60 0.67 -0.01 0.00 0.02 0.00 0.00 55.36 56.64 1qkz s GLN 18 Cb -0.15 -2.31 0.01 0.00 1.00 0.00 0.00 33.01 31.56 1qkz s GLN 18 CO 0.55 -0.07 0.05 0.00 -2.12 0.00 0.00 175.29 173.69 1qkz s ALA 19 N -2.38 -0.07 -0.02 6.09 0.00 -0.03 -4.92 121.76 120.43 1qkz s ALA 19 Ca 0.54 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1qkz s ALA 19 Cb -0.10 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1qkz s ALA 19 CO 0.28 -0.05 -0.05 0.45 0.00 0.00 0.00 175.76 176.38 1qkz s SER 20 N 0.40 0.85 -0.01 0.00 0.15 -1.26 -0.56 113.70 113.27 1qkz s SER 20 Ca -0.03 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.52 1qkz s SER 20 Cb -0.05 -0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 63.99 1qkz s SER 20 CO -0.01 0.01 -0.07 -0.63 1.20 0.00 0.00 173.24 173.74 1qkz s ILE 21 N 0.40 0.57 0.18 6.45 1.01 -0.49 -4.79 121.20 124.54 1qkz s ILE 21 Ca -0.05 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1qkz s ILE 21 Cb -0.09 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 1qkz s ILE 21 CO -0.00 0.16 -0.03 -0.44 0.00 0.00 0.00 174.94 174.63 1qkz s SER 22 N -0.15 4.59 -0.12 3.58 0.01 0.51 -0.61 113.70 121.49 1qkz s SER 22 Ca 0.03 -0.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 1qkz s SER 22 Cb -0.03 -0.91 0.06 0.00 0.21 0.00 0.00 66.02 65.35 1qkz s SER 22 CO -0.00 0.09 0.21 0.00 0.41 0.00 0.00 173.24 173.94 1qkz s ARG 24 N 2.34 3.52 0.06 0.00 3.52 -0.60 -0.93 118.95 126.87 1qkz s ARG 24 Ca 0.03 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.07 1qkz s ARG 24 Cb -0.13 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 1qkz s ARG 24 CO -0.08 0.26 0.14 -1.54 -0.81 0.00 0.00 175.30 173.27 1qkz s SER 25 N 0.28 5.91 0.34 -2.12 1.04 -0.30 -0.95 113.70 117.89 1qkz s SER 25 Ca -0.05 0.13 0.11 0.00 0.48 0.00 0.00 55.95 56.62 1qkz s SER 25 Cb -0.15 -1.71 0.61 0.00 0.10 0.00 0.00 66.02 64.88 1qkz s SER 25 CO 0.04 0.18 1.77 0.77 0.98 0.00 0.00 173.24 176.98 1qkz h SER 26 N 3.29 0.03 -4.64 7.02 4.64 -1.25 -3.45 113.55 119.19 1qkz h SER 26 Ca -0.46 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 60.56 1qkz h SER 26 Cb 1.16 -0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 63.10 1qkz h SER 26 CO 0.70 0.46 -0.65 0.00 -0.87 0.00 0.00 176.83 176.46 1qkz s GLN 27 N -4.07 1.14 0.48 4.77 -2.07 -1.26 -5.00 119.66 113.64 1qkz s GLN 27 Ca -0.03 -1.56 -0.22 0.00 -1.82 0.00 0.00 55.36 51.74 1qkz s GLN 27 Cb 0.14 -0.19 -0.10 0.00 -1.09 0.00 0.00 33.01 31.77 1qkz s GLN 27 CO 0.74 -0.18 0.75 0.45 -1.32 0.00 0.00 175.29 175.73 1qkz n SER 27 N -0.26 0.02 -0.81 12.60 2.88 -1.26 -4.70 113.62 122.08 1qkz n SER 27 Ca -0.05 0.90 0.10 0.00 -1.33 0.00 0.00 58.87 58.48 1qkz n SER 27 Cb 0.64 -1.24 0.10 0.00 -0.75 0.00 0.00 64.21 62.96 1qkz n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qkz n LEU 27 N 0.58 2.73 -4.66 2.46 4.32 -0.30 -4.93 117.00 117.20 1qkz n LEU 27 Ca 0.11 -1.14 -0.42 0.00 -0.02 0.00 0.00 56.01 54.54 1qkz n LEU 27 Cb 0.42 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.14 1qkz n LEU 27 CO 0.54 0.51 1.26 -0.69 -1.22 0.00 0.00 177.39 177.79 1qkz s VAL 27 N -1.51 3.81 0.74 4.08 1.01 -1.26 -3.53 120.40 123.74 1qkz s VAL 27 Ca 0.25 1.00 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 1qkz s VAL 27 Cb 0.17 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1qkz s VAL 27 CO 0.24 -0.08 1.08 -2.28 0.00 0.00 0.00 175.10 174.06 1qkz s HIS 27 N 3.77 3.01 0.48 5.22 2.46 0.16 -4.91 115.29 125.49 1qkz s HIS 27 Ca 0.67 1.27 0.20 0.00 0.47 0.00 0.00 55.06 57.67 1qkz s HIS 27 Cb -0.29 -3.00 1.23 0.00 -0.13 0.00 0.00 32.58 30.39 1qkz s HIS 27 CO 0.25 -1.47 1.97 0.66 -2.47 0.00 0.00 174.74 173.68 1qkz h SER 27 N -0.88 0.18 0.00 9.88 4.64 -1.95 0.19 113.55 125.61 1qkz h SER 27 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qkz h SER 27 Cb 1.24 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1qkz h SER 27 CO 0.58 0.10 0.00 -0.46 -0.87 0.00 0.00 176.83 176.18 1qkz n ASN 28 N -4.43 0.00 0.00 4.97 0.23 -1.26 -4.88 115.26 109.89 1qkz n ASN 28 Ca 0.11 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 1qkz n ASN 28 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1qkz n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qkz n GLY 29 N 0.72 3.03 3.87 4.83 0.00 0.66 -5.05 105.19 113.25 1qkz n GLY 29 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1qkz n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qkz s ASN 30 N -1.19 6.54 -0.34 1.61 0.02 -1.26 -4.65 114.94 115.68 1qkz s ASN 30 Ca 0.00 1.17 -0.05 0.00 -1.02 0.00 0.00 52.86 52.96 1qkz s ASN 30 Cb 0.00 -2.34 0.06 0.00 0.02 0.00 0.00 41.25 38.99 1qkz s ASN 30 CO 0.00 -0.40 0.10 -0.89 0.02 0.00 0.00 177.10 175.93 1qkz s THR 31 N -2.36 3.48 -1.22 1.60 2.01 -1.26 0.41 115.64 118.30 1qkz s THR 31 Ca 0.52 -1.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.04 1qkz s THR 31 Cb -0.10 -3.05 0.18 0.00 0.01 0.00 0.00 72.50 69.54 1qkz s THR 31 CO 0.30 -0.25 1.53 -1.22 -0.69 0.00 0.00 174.62 174.29 1qkz n TYR 32 N 4.73 4.36 -4.08 4.92 4.01 -1.23 -4.12 117.16 125.75 1qkz n TYR 32 Ca -0.11 -3.22 -0.33 0.00 -0.16 0.00 0.00 57.90 54.07 1qkz n TYR 32 Cb 0.44 -2.05 -0.16 0.00 -0.31 0.00 0.00 39.34 37.26 1qkz n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1qkz s LEU 33 N 0.71 2.34 0.25 7.72 1.98 -1.26 -0.73 118.68 129.69 1qkz s LEU 33 Ca 0.41 -0.64 0.11 0.00 -2.89 0.00 0.00 54.13 51.11 1qkz s LEU 33 Cb 0.00 -1.53 -0.05 0.00 0.66 0.00 0.00 46.19 45.27 1qkz s LEU 33 CO 0.00 -0.01 -0.18 -1.00 -1.89 0.00 0.00 176.35 173.26 1qkz s HIS 34 N 1.32 2.10 -0.01 5.38 3.76 -0.45 -0.73 115.29 126.65 1qkz s HIS 34 Ca 0.04 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 1qkz s HIS 34 Cb -0.14 -0.93 -0.02 0.00 1.11 0.00 0.00 32.58 32.60 1qkz s HIS 34 CO -0.11 0.58 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.57 1qkz s TRP 35 N -2.59 1.91 0.05 1.40 0.52 -0.20 -0.62 118.94 119.42 1qkz s TRP 35 Ca 0.27 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.06 1qkz s TRP 35 Cb -0.04 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 31.04 1qkz s TRP 35 CO 0.12 -0.02 -0.10 0.71 0.02 0.00 0.00 176.95 177.68 1qkz s TYR 36 N -0.54 0.88 -0.09 -1.98 1.51 0.37 -1.04 117.35 116.46 1qkz s TYR 36 Ca 0.08 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1qkz s TYR 36 Cb -0.08 -0.51 -0.01 0.00 -0.11 0.00 0.00 41.96 41.25 1qkz s TYR 36 CO -0.00 -0.03 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.03 1qkz s LEU 37 N -1.68 2.34 -0.12 -1.29 0.20 -0.17 -0.54 118.68 117.43 1qkz s LEU 37 Ca -0.06 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.33 1qkz s LEU 37 Cb -0.10 -1.48 0.02 0.00 -0.43 0.00 0.00 46.19 44.21 1qkz s LEU 37 CO 0.01 0.20 -0.14 -1.58 -0.29 0.00 0.00 176.35 174.55 1qkz s GLN 38 N 0.10 2.17 0.28 1.98 0.74 0.48 -1.13 119.66 124.28 1qkz s GLN 38 Ca -0.09 -0.53 -0.02 0.00 0.05 0.00 0.00 55.36 54.76 1qkz s GLN 38 Cb -0.15 -1.91 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 1qkz s GLN 38 CO 0.06 -0.13 0.50 0.15 -0.55 0.00 0.00 175.29 175.32 1qkz s LYS 39 N 1.18 3.57 0.13 1.67 3.01 -1.26 -1.66 119.74 126.37 1qkz s LYS 39 Ca -0.03 -0.17 -0.32 0.00 -1.01 0.00 0.00 55.97 54.44 1qkz s LYS 39 Cb -0.14 -2.71 -0.11 0.00 -1.01 0.00 0.00 37.83 33.86 1qkz s LYS 39 CO -0.05 0.25 1.82 -2.30 0.51 0.00 0.00 175.35 175.58 1qkz n PRO 40 N -1.04 2.74 -0.14 -1.68 -0.02 -1.26 -1.69 135.00 131.90 1qkz n PRO 40 Ca -0.03 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1qkz n PRO 40 Cb 0.54 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1qkz n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qkz n GLY 41 N 4.17 1.77 3.70 -1.23 0.00 -1.26 -5.02 105.19 107.32 1qkz n GLY 41 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1qkz n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qkz s GLN 42 N -0.32 2.33 0.55 1.61 -0.21 -0.68 -5.14 119.66 117.80 1qkz s GLN 42 Ca 0.00 -1.51 -0.05 0.00 0.02 0.00 0.00 55.36 53.82 1qkz s GLN 42 Cb 0.00 -2.15 -0.00 0.00 1.00 0.00 0.00 33.01 31.85 1qkz s GLN 42 CO 0.00 0.20 0.85 -1.54 -2.12 0.00 0.00 175.29 172.68 1qkz s SER 43 N -3.78 5.76 0.44 5.90 1.04 -1.26 -4.51 113.70 117.29 1qkz s SER 43 Ca 0.35 0.71 -0.26 0.00 0.48 0.00 0.00 55.95 57.24 1qkz s SER 43 Cb -0.04 -1.80 -0.09 0.00 0.10 0.00 0.00 66.02 64.19 1qkz s SER 43 CO 0.21 -0.92 1.44 -2.65 0.98 0.00 0.00 173.24 172.31 1qkz n PRO 44 N -2.46 2.33 -5.08 4.02 -0.02 -1.26 -4.57 135.00 127.97 1qkz n PRO 44 Ca 0.03 0.83 -0.29 0.00 -2.02 0.00 0.00 63.50 62.05 1qkz n PRO 44 Cb 0.57 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.25 1qkz n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1qkz s LYS 45 N -2.38 2.14 0.05 -0.52 1.02 -0.28 -4.93 119.74 114.85 1qkz s LYS 45 Ca 0.60 -0.78 -0.31 0.00 0.02 0.00 0.00 55.97 55.50 1qkz s LYS 45 Cb -0.46 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.92 1qkz s LYS 45 CO 0.59 0.35 1.39 -1.17 -0.92 0.00 0.00 175.35 175.58 1qkz s LEU 46 N -0.15 4.34 -0.08 3.17 2.96 -1.26 -1.00 118.68 126.67 1qkz s LEU 46 Ca -0.02 2.20 -0.11 0.00 -0.22 0.00 0.00 54.13 55.98 1qkz s LEU 46 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1qkz s LEU 46 CO 0.02 -0.68 -0.22 0.18 -1.32 0.00 0.00 176.35 174.34 1qkz n LEU 47 N 4.70 1.59 -4.11 -0.68 4.32 -0.21 -4.70 117.00 117.91 1qkz n LEU 47 Ca 0.12 0.25 -0.28 0.00 -0.02 0.00 0.00 56.01 56.09 1qkz n LEU 47 Cb 0.43 -0.59 -0.17 0.00 -1.62 0.00 0.00 43.42 41.47 1qkz n LEU 47 CO 0.58 -0.44 -0.51 -0.63 -1.22 0.00 0.00 177.39 175.18 1qkz s ILE 48 N -2.53 1.54 0.19 -0.08 -1.09 -1.08 -1.00 121.20 117.16 1qkz s ILE 48 Ca -0.18 -0.72 0.11 0.00 -2.23 0.00 0.00 60.65 57.63 1qkz s ILE 48 Cb 0.03 -1.36 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 1qkz s ILE 48 CO 0.27 0.45 -0.24 -0.72 -1.23 0.00 0.00 174.94 173.47 1qkz s TYR 49 N 0.52 2.29 -1.18 3.97 1.13 0.16 -1.03 117.35 123.20 1qkz s TYR 49 Ca -0.16 -0.36 -0.29 0.00 -1.41 0.00 0.00 57.07 54.84 1qkz s TYR 49 Cb -0.17 -1.13 0.02 0.00 -1.10 0.00 0.00 41.96 39.59 1qkz s TYR 49 CO 0.06 0.50 0.73 0.25 -2.51 0.00 0.00 175.55 174.57 1qkz n THR 50 N 0.27 -3.98 0.00 -3.49 -2.24 -1.06 -0.95 114.28 102.83 1qkz n THR 50 Ca -0.13 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1qkz n THR 50 Cb 0.56 -3.12 0.00 0.00 -2.10 0.00 0.00 70.33 65.67 1qkz n THR 50 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1qkz n VAL 51 N -4.68 0.00 -0.80 2.28 0.31 0.09 -4.10 118.33 111.42 1qkz n VAL 51 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1qkz n VAL 51 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1qkz n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1qkz n SER 52 N 1.72 0.36 -4.65 4.52 3.41 -1.21 -3.14 113.62 114.63 1qkz n SER 52 Ca 0.00 -1.16 -0.42 0.00 -0.26 0.00 0.00 58.87 57.03 1qkz n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1qkz n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1qkz s ASN 53 N -0.16 6.87 0.06 4.04 -0.87 -0.12 -4.55 114.94 120.21 1qkz s ASN 53 Ca 0.00 1.08 -0.31 0.00 -1.57 0.00 0.00 52.86 52.07 1qkz s ASN 53 Cb 0.00 -2.44 -0.06 0.00 -0.02 0.00 0.00 41.25 38.73 1qkz s ASN 53 CO 0.00 -0.50 1.25 -0.13 -2.57 0.00 0.00 177.10 175.15 1qkz s ARG 54 N 2.69 4.40 0.73 -0.60 0.52 -1.26 0.38 118.95 125.81 1qkz s ARG 54 Ca 0.36 1.83 -0.12 0.00 -0.52 0.00 0.00 55.73 57.29 1qkz s ARG 54 Cb -0.16 -3.35 0.03 0.00 0.52 0.00 0.00 34.95 31.99 1qkz s ARG 54 CO 0.08 -0.32 1.08 0.12 0.02 0.00 0.00 175.30 176.29 1qkz s PHE 55 N 1.21 2.73 0.15 -0.53 5.36 -0.17 -4.89 117.98 121.83 1qkz s PHE 55 Ca 0.60 1.52 -0.34 0.00 -0.96 0.00 0.00 56.93 57.75 1qkz s PHE 55 Cb -0.31 -3.03 -0.16 0.00 -0.34 0.00 0.00 43.02 39.19 1qkz s PHE 55 CO 0.29 -1.61 1.25 -1.13 -1.46 0.00 0.00 175.22 172.55 1qkz n SER 56 N -3.18 1.59 0.00 6.13 3.41 -1.26 -1.89 113.62 118.43 1qkz n SER 56 Ca 0.09 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1qkz n SER 56 Cb 0.53 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1qkz n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qkz n GLY 57 N 2.24 2.84 3.70 5.00 0.00 -1.26 -5.01 105.19 112.70 1qkz n GLY 57 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1qkz n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qkz s VAL 58 N -1.92 3.53 0.79 1.61 1.01 -0.79 -4.99 120.40 119.64 1qkz s VAL 58 Ca 0.00 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1qkz s VAL 58 Cb 0.00 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1qkz s VAL 58 CO 0.00 0.04 1.20 -0.81 0.00 0.00 0.00 175.10 175.53 1qkz n PRO 59 N 4.65 0.27 0.00 2.72 -0.04 -1.26 -4.88 135.00 136.46 1qkz n PRO 59 Ca 0.12 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1qkz n PRO 59 Cb 0.43 -2.44 0.71 0.00 -0.04 0.00 0.00 33.50 32.17 1qkz n PRO 59 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qkz n ASP 60 N -3.08 0.00 0.23 3.54 5.68 -1.26 -2.18 116.55 119.48 1qkz n ASP 60 Ca 0.14 -1.05 0.08 0.00 -0.50 0.00 0.00 54.79 53.46 1qkz n ASP 60 Cb 0.50 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.05 1qkz n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1qkz h ARG 61 N 0.00 0.00 -6.11 0.11 3.08 -1.95 -3.43 114.38 106.09 1qkz h ARG 61 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1qkz h ARG 61 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1qkz h ARG 61 CO 0.00 0.18 0.07 -0.06 -1.07 0.00 0.00 179.97 179.09 1qkz s PHE 62 N -4.42 3.65 0.04 3.04 0.08 -0.93 -0.98 117.98 118.46 1qkz s PHE 62 Ca -0.03 1.28 -0.02 0.00 0.12 0.00 0.00 56.93 58.28 1qkz s PHE 62 Cb 0.15 -2.74 -0.03 0.00 -0.57 0.00 0.00 43.02 39.83 1qkz s PHE 62 CO 0.66 0.22 0.01 -1.54 -0.10 0.00 0.00 175.22 174.46 1qkz s SER 63 N 0.26 0.33 0.13 1.36 1.04 -0.31 -4.96 113.70 111.55 1qkz s SER 63 Ca 0.35 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 56.10 1qkz s SER 63 Cb -0.19 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 1qkz s SER 63 CO 0.19 -0.49 -0.11 -0.83 0.98 0.00 0.00 173.24 172.98 1qkz s GLY 64 N -2.28 1.01 0.22 7.32 0.00 -1.26 -0.14 107.32 112.19 1qkz s GLY 64 Ca -0.03 -1.38 -0.21 0.00 0.00 0.00 0.00 44.72 43.10 1qkz s GLY 64 CO -0.06 -1.47 0.98 -1.35 0.00 0.00 0.00 173.10 171.21 1qkz s SER 65 N -2.87 -0.01 0.00 1.64 1.04 -0.92 -4.11 113.70 108.48 1qkz s SER 65 Ca 0.12 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1qkz s SER 65 Cb -0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1qkz s SER 65 CO 0.01 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1qkz n GLY 66 N -0.65 1.13 3.50 7.32 0.00 -1.26 -0.62 105.19 114.61 1qkz n GLY 66 Ca -0.04 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 1qkz n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qkz s SER 67 N 0.00 -0.56 0.23 1.61 0.15 -0.02 -4.93 113.70 110.17 1qkz s SER 67 Ca 0.00 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1qkz s SER 67 Cb 0.00 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1qkz s SER 67 CO 0.00 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1qkz n GLY 68 N 0.42 1.19 0.00 9.45 0.00 -1.26 -1.96 105.19 113.02 1qkz n GLY 68 Ca -0.16 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1qkz n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qkz n THR 69 N 0.00 0.31 -3.88 2.61 -2.24 -1.26 -1.15 114.28 108.66 1qkz n THR 69 Ca 0.00 -0.51 -0.27 0.00 -2.27 0.00 0.00 64.05 61.00 1qkz n THR 69 Cb 0.00 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.07 1qkz n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1qkz s ASP 70 N -0.31 2.31 0.07 3.42 1.01 -0.83 -1.15 116.67 121.19 1qkz s ASP 70 Ca 0.00 -0.38 0.02 0.00 0.71 0.00 0.00 52.55 52.90 1qkz s ASP 70 Cb 0.00 -0.81 -0.03 0.00 1.01 0.00 0.00 42.92 43.08 1qkz s ASP 70 CO 0.00 -0.15 -0.08 -0.36 0.21 0.00 0.00 175.17 174.80 1qkz s PHE 71 N 1.72 0.80 -0.02 4.23 0.40 -0.10 -0.84 117.98 124.17 1qkz s PHE 71 Ca 0.04 -0.68 -0.05 0.00 -0.60 0.00 0.00 56.93 55.64 1qkz s PHE 71 Cb -0.13 -0.47 0.00 0.00 0.51 0.00 0.00 43.02 42.93 1qkz s PHE 71 CO -0.08 -0.10 0.12 -0.08 0.70 0.00 0.00 175.22 175.78 1qkz s THR 72 N -2.37 0.05 -0.15 0.64 -1.32 0.21 -0.27 115.64 112.42 1qkz s THR 72 Ca 0.00 -0.37 -0.05 0.00 -1.21 0.00 0.00 61.69 60.06 1qkz s THR 72 Cb -0.03 -0.29 -0.03 0.00 -1.51 0.00 0.00 72.50 70.63 1qkz s THR 72 CO -0.02 -0.21 0.01 -0.22 -2.21 0.00 0.00 174.62 171.98 1qkz s LEU 73 N -0.68 3.55 0.07 9.08 2.96 0.22 -2.16 118.68 131.72 1qkz s LEU 73 Ca -0.08 0.01 0.10 0.00 -0.22 0.00 0.00 54.13 53.94 1qkz s LEU 73 Cb -0.05 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1qkz s LEU 73 CO 0.01 0.21 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.45 1qkz s LYS 74 N 0.15 1.70 -0.26 1.98 1.02 0.80 -1.39 119.74 123.74 1qkz s LYS 74 Ca 0.02 -1.18 0.03 0.00 0.02 0.00 0.00 55.97 54.86 1qkz s LYS 74 Cb -0.13 -1.98 0.06 0.00 -0.52 0.00 0.00 37.83 35.26 1qkz s LYS 74 CO 0.02 0.49 -0.10 0.42 -0.92 0.00 0.00 175.35 175.26 1qkz s ILE 75 N -0.91 2.24 0.25 2.17 1.01 0.27 -1.16 121.20 125.07 1qkz s ILE 75 Ca 0.13 -1.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.12 1qkz s ILE 75 Cb -0.10 -2.31 0.23 0.00 0.01 0.00 0.00 42.46 40.29 1qkz s ILE 75 CO 0.04 -0.03 1.86 0.77 0.00 0.00 0.00 174.94 177.58 1qkz h SER 76 N 7.79 0.91 -2.14 3.58 4.64 -1.35 -0.06 113.55 126.92 1qkz h SER 76 Ca -0.19 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.96 1qkz h SER 76 Cb 1.04 -0.18 -0.31 0.00 -0.31 0.00 0.00 62.40 62.65 1qkz h SER 76 CO 0.47 0.58 -0.49 -0.60 -0.87 0.00 0.00 176.83 175.92 1qkz s ARG 77 N -6.06 0.30 0.11 4.77 3.52 -1.25 -4.06 118.95 116.28 1qkz s ARG 77 Ca -0.13 0.56 -0.31 0.00 -0.13 0.00 0.00 55.73 55.73 1qkz s ARG 77 Cb 0.19 -0.47 -0.07 0.00 -1.56 0.00 0.00 34.95 33.04 1qkz s ARG 77 CO 0.80 -0.57 1.24 0.08 -0.81 0.00 0.00 175.30 176.03 1qkz s VAL 78 N 2.51 3.75 0.29 7.11 1.01 0.01 -4.81 120.40 130.27 1qkz s VAL 78 Ca 0.09 1.32 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1qkz s VAL 78 Cb -0.15 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1qkz s VAL 78 CO -0.14 0.13 0.02 -1.61 0.00 0.00 0.00 175.10 173.50 1qkz s GLU 79 N 0.69 2.25 0.35 2.72 2.02 -1.26 -0.77 118.70 124.70 1qkz s GLU 79 Ca 0.58 -1.51 0.02 0.00 0.02 0.00 0.00 54.97 54.08 1qkz s GLU 79 Cb -0.32 -2.11 0.63 0.00 0.10 0.00 0.00 34.13 32.43 1qkz s GLU 79 CO 0.32 0.28 2.00 0.00 0.02 0.00 0.00 175.26 177.88 1qkz h ALA 80 N 1.82 1.55 0.00 5.21 0.00 -1.99 -0.90 119.26 124.94 1qkz h ALA 80 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qkz h ALA 80 Cb 1.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1qkz h ALA 80 CO 0.62 0.41 0.00 -0.85 0.00 0.00 0.00 179.25 179.43 1qkz n GLU 81 N -4.44 0.01 0.05 0.00 0.28 -1.26 -1.87 120.64 113.40 1qkz n GLU 81 Ca 0.07 0.34 0.13 0.00 -0.16 0.00 0.00 57.16 57.55 1qkz n GLU 81 Cb 0.05 -1.52 0.43 0.00 1.43 0.00 0.00 31.44 31.83 1qkz n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1qkz n ASP 82 N -1.54 0.46 -4.74 -1.84 8.00 -0.34 -4.90 116.55 111.65 1qkz n ASP 82 Ca 0.02 0.37 -0.41 0.00 0.71 0.00 0.00 54.79 55.48 1qkz n ASP 82 Cb 0.11 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 1qkz n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qkz s LEU 83 N -3.73 4.48 0.00 0.64 1.43 -0.78 -4.88 118.68 115.85 1qkz s LEU 83 Ca 0.11 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1qkz s LEU 83 Cb 0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1qkz s LEU 83 CO 0.61 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1qkz n GLY 84 N 2.03 -0.32 3.50 -3.19 0.00 -1.13 -4.80 105.19 101.29 1qkz n GLY 84 Ca 0.03 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 1qkz n GLY 84 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qkz s VAL 85 N -3.17 4.01 -0.13 1.61 -7.23 -0.66 -0.22 120.40 114.60 1qkz s VAL 85 Ca 0.00 -0.31 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 1qkz s VAL 85 Cb 0.00 -2.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 1qkz s VAL 85 CO 0.00 0.48 0.27 -0.31 -0.31 0.00 0.00 175.10 175.22 1qkz s TYR 86 N 0.48 3.52 -0.03 2.82 1.51 -0.16 -0.39 117.35 125.11 1qkz s TYR 86 Ca -0.02 0.62 0.07 0.00 -1.01 0.00 0.00 57.07 56.73 1qkz s TYR 86 Cb -0.14 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1qkz s TYR 86 CO 0.02 0.39 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.55 1qkz s PHE 87 N -0.03 2.26 0.20 2.71 0.08 0.30 -0.11 117.98 123.40 1qkz s PHE 87 Ca 0.16 -0.49 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1qkz s PHE 87 Cb -0.13 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1qkz s PHE 87 CO 0.05 -0.08 0.34 0.00 -0.10 0.00 0.00 175.22 175.43 1qkz s SER 89 N -3.54 0.03 -0.02 0.00 1.04 0.21 -0.82 113.70 110.60 1qkz s SER 89 Ca 0.35 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 56.17 1qkz s SER 89 Cb -0.10 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1qkz s SER 89 CO 0.29 -0.82 -0.19 0.00 0.98 0.00 0.00 173.24 173.50 1qkz s GLN 90 N -3.89 1.59 -0.09 4.02 1.03 -0.41 -1.34 119.66 120.56 1qkz s GLN 90 Ca 0.09 -0.69 0.13 0.00 0.04 0.00 0.00 55.36 54.93 1qkz s GLN 90 Cb 0.04 -1.52 0.24 0.00 0.03 0.00 0.00 33.01 31.80 1qkz s GLN 90 CO -0.07 0.40 1.16 0.43 -2.54 0.00 0.00 175.29 174.67 1qkz n SER 91 N 2.64 2.53 0.02 12.60 7.64 0.10 -2.82 113.62 136.33 1qkz n SER 91 Ca -0.15 -2.68 -0.15 0.00 1.01 0.00 0.00 58.87 56.90 1qkz n SER 91 Cb 0.53 -0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 1qkz n SER 91 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1qkz h THR 92 N 0.44 1.32 -4.20 0.44 2.02 -1.86 -3.45 112.91 107.62 1qkz h THR 92 Ca 0.00 -2.11 -0.07 0.00 0.77 0.00 0.00 66.41 65.00 1qkz h THR 92 Cb 0.90 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 1qkz h THR 92 CO 0.03 0.65 -0.04 1.41 0.37 0.00 0.00 175.52 177.95 1qkz n HIS 93 N -3.88 -0.97 -1.67 3.16 8.25 -1.26 -4.97 115.22 113.88 1qkz n HIS 93 Ca -0.07 -0.29 -0.44 0.00 -0.26 0.00 0.00 57.72 56.66 1qkz n HIS 93 Cb 0.77 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.81 1qkz n HIS 93 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1qkz n PHE 94 N -0.52 2.14 -1.67 4.41 1.16 -1.26 -4.75 117.46 116.97 1qkz n PHE 94 Ca -0.01 0.49 -0.46 0.00 -1.87 0.00 0.00 57.45 55.61 1qkz n PHE 94 Cb 0.08 -2.43 -0.04 0.00 -1.61 0.00 0.00 39.48 35.48 1qkz n PHE 94 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 1qkz n PRO 95 N 1.44 2.09 -3.99 3.97 -0.02 -1.26 -4.69 135.00 132.53 1qkz n PRO 95 Ca 0.09 0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 62.24 1qkz n PRO 95 Cb 0.33 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 1qkz n PRO 95 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qkz s THR 97 N 0.54 0.17 0.05 3.45 -4.23 -1.13 -5.00 115.64 109.48 1qkz s THR 97 Ca 0.75 -1.37 0.06 0.00 -1.18 0.00 0.00 61.69 59.95 1qkz s THR 97 Cb -0.67 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 1qkz s THR 97 CO 0.42 -0.75 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.23 1qkz s PHE 98 N -3.15 1.42 0.89 3.99 0.40 -1.26 -1.29 117.98 118.98 1qkz s PHE 98 Ca -0.00 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.84 1qkz s PHE 98 Cb 0.02 -0.84 0.13 0.00 0.51 0.00 0.00 43.02 42.84 1qkz s PHE 98 CO -0.07 0.06 1.11 0.20 0.70 0.00 0.00 175.22 177.22 1qkz s GLY 99 N -1.24 1.59 0.00 4.36 0.00 -0.00 -4.55 107.32 107.48 1qkz s GLY 99 Ca 0.03 -0.33 0.26 0.00 0.00 0.00 0.00 44.72 44.68 1qkz s GLY 99 CO 0.02 0.19 1.85 0.61 0.00 0.00 0.00 173.10 175.76 1qkz n GLY 100 N -1.81 -1.36 0.00 0.20 0.00 -1.26 -4.74 105.19 96.22 1qkz n GLY 100 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1qkz n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qkz n GLY 101 N 1.16 1.67 3.17 -0.02 0.00 -1.26 -5.02 105.19 104.89 1qkz n GLY 101 Ca 0.07 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1qkz n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qkz s THR 102 N -1.06 2.59 -0.26 2.61 2.01 0.85 -4.78 115.64 117.60 1qkz s THR 102 Ca 0.00 -1.04 -0.25 0.00 0.31 0.00 0.00 61.69 60.71 1qkz s THR 102 Cb 0.00 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1qkz s THR 102 CO 0.00 0.29 0.88 -0.75 -0.69 0.00 0.00 174.62 174.34 1qkz s LYS 103 N 1.30 4.15 -0.30 4.92 2.20 -0.89 -0.99 119.74 130.12 1qkz s LYS 103 Ca 0.01 0.96 -0.24 0.00 -0.36 0.00 0.00 55.97 56.33 1qkz s LYS 103 Cb -0.16 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1qkz s LYS 103 CO -0.07 -0.60 0.83 -1.17 -0.36 0.00 0.00 175.35 173.98 1qkz s LEU 104 N 2.99 4.07 0.20 5.43 2.96 0.69 -1.23 118.68 133.80 1qkz s LEU 104 Ca 0.37 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 1qkz s LEU 104 Cb -0.15 -3.15 -0.05 0.00 0.50 0.00 0.00 46.19 43.35 1qkz s LEU 104 CO 0.09 -0.63 0.01 -1.83 -1.32 0.00 0.00 176.35 172.66 1qkz s GLU 105 N 3.03 1.22 -0.02 1.98 -1.05 -0.72 -2.82 118.70 120.32 1qkz s GLU 105 Ca 0.34 -1.61 -0.30 0.00 -0.15 0.00 0.00 54.97 53.26 1qkz s GLU 105 Cb -0.14 -0.39 -0.05 0.00 -0.44 0.00 0.00 34.13 33.12 1qkz s GLU 105 CO 0.12 -0.13 1.31 0.42 0.95 0.00 0.00 175.26 177.93 1qkz s ILE 106 N -3.58 3.93 0.36 1.83 1.01 -1.26 0.18 121.20 123.66 1qkz s ILE 106 Ca 0.27 1.30 -0.26 0.00 0.00 0.00 0.00 60.65 61.95 1qkz s ILE 106 Cb 0.06 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1qkz s ILE 106 CO 0.07 0.01 1.15 -0.75 0.00 0.00 0.00 174.94 175.41 1qkz s LYS 107 N 2.22 4.24 0.28 2.79 2.20 0.14 -4.73 119.74 126.88 1qkz s LYS 107 Ca 0.60 1.83 0.02 0.00 -0.36 0.00 0.00 55.97 58.06 1qkz s LYS 107 Cb -0.29 -2.83 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1qkz s LYS 107 CO 0.25 -0.15 0.09 0.50 -0.36 0.00 0.00 175.35 175.67 1qkz s ARG 108 N -2.06 1.47 0.38 4.03 3.52 -1.26 -4.90 118.95 120.13 1qkz s ARG 108 Ca 0.53 -1.80 -0.21 0.00 -0.13 0.00 0.00 55.73 54.12 1qkz s ARG 108 Cb -0.31 -0.42 -0.10 0.00 -1.56 0.00 0.00 34.95 32.55 1qkz s ARG 108 CO 0.39 -0.27 0.89 0.00 -0.81 0.00 0.00 175.30 175.51 1qkz s ALA 109 N -3.63 3.15 0.31 6.12 0.00 -1.26 -4.98 121.76 121.48 1qkz s ALA 109 Ca 0.37 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 1qkz s ALA 109 Cb 0.08 -3.06 -0.13 0.00 0.00 0.00 0.00 23.12 20.02 1qkz s ALA 109 CO 0.14 0.19 1.33 -0.25 0.00 0.00 0.00 175.76 177.17 1qkz n ASP 110 N -0.29 2.79 -3.75 0.00 8.00 -1.26 -4.76 116.55 117.28 1qkz n ASP 110 Ca 0.05 1.19 -0.15 0.00 0.71 0.00 0.00 54.79 56.58 1qkz n ASP 110 Cb 0.53 -1.47 -0.16 0.00 -0.02 0.00 0.00 41.12 40.00 1qkz n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qkz s ALA 111 N -0.80 0.02 0.50 2.24 0.00 0.16 -4.89 121.76 118.99 1qkz s ALA 111 Ca 0.59 0.38 -0.20 0.00 0.00 0.00 0.00 51.96 52.73 1qkz s ALA 111 Cb -0.59 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 22.09 1qkz s ALA 111 CO 0.59 -0.19 1.04 0.00 0.00 0.00 0.00 175.76 177.20 1qkz s ALA 112 N 1.29 2.86 0.49 0.00 0.00 -1.26 -0.89 121.76 124.25 1qkz s ALA 112 Ca -0.07 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 1qkz s ALA 112 Cb -0.13 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 1qkz s ALA 112 CO -0.04 -0.37 1.02 -1.25 0.00 0.00 0.00 175.76 175.12 1qkz s PRO 113 N -3.31 3.83 -0.30 0.00 0.04 -1.26 -4.53 135.00 129.46 1qkz s PRO 113 Ca 0.67 1.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 1qkz s PRO 113 Cb -0.17 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1qkz s PRO 113 CO 0.22 -0.39 0.40 0.99 0.04 0.00 0.00 177.00 178.26 1qkz s THR 114 N -2.17 5.14 -0.20 1.26 2.01 -0.30 -4.84 115.64 116.53 1qkz s THR 114 Ca 0.65 0.42 -0.09 0.00 0.31 0.00 0.00 61.69 62.98 1qkz s THR 114 Cb -0.14 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 1qkz s THR 114 CO 0.22 0.03 0.11 -0.69 -0.69 0.00 0.00 174.62 173.60 1qkz s VAL 115 N 2.13 5.19 -0.03 3.82 1.01 -1.26 -1.32 120.40 129.94 1qkz s VAL 115 Ca 0.15 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1qkz s VAL 115 Cb -0.16 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.87 1qkz s VAL 115 CO 0.11 0.44 -0.05 -0.44 0.00 0.00 0.00 175.10 175.16 1qkz s SER 116 N 0.41 0.87 -0.05 3.32 0.01 -0.59 -4.96 113.70 112.71 1qkz s SER 116 Ca 0.06 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.23 1qkz s SER 116 Cb -0.12 -0.35 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 1qkz s SER 116 CO -0.01 -0.02 -0.11 -0.51 0.41 0.00 0.00 173.24 173.00 1qkz s ILE 117 N 0.65 3.32 -0.11 1.44 2.07 -1.26 -1.21 121.20 126.10 1qkz s ILE 117 Ca -0.09 -0.65 -0.01 0.00 -1.41 0.00 0.00 60.65 58.50 1qkz s ILE 117 Cb -0.12 -2.33 0.03 0.00 0.13 0.00 0.00 42.46 40.17 1qkz s ILE 117 CO 0.00 0.58 -0.06 -0.36 -1.91 0.00 0.00 174.94 173.19 1qkz s PHE 118 N -0.78 1.30 0.92 3.50 0.40 0.75 -5.00 117.98 119.07 1qkz s PHE 118 Ca 0.12 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 1qkz s PHE 118 Cb -0.11 -1.14 0.14 0.00 0.51 0.00 0.00 43.02 42.43 1qkz s PHE 118 CO 0.01 -0.48 1.11 -2.14 0.70 0.00 0.00 175.22 174.42 1qkz s PRO 119 N 1.77 1.06 0.57 0.24 0.02 -1.26 -1.53 135.00 135.86 1qkz s PRO 119 Ca 0.05 1.22 -0.19 0.00 0.02 0.00 0.00 61.00 62.09 1qkz s PRO 119 Cb -0.13 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 1qkz s PRO 119 CO -0.08 -2.50 0.91 -2.30 -0.33 0.00 0.00 177.00 172.71 1qkz n PRO 120 N -4.11 0.93 -2.06 5.54 -0.02 -1.14 -4.81 135.00 129.33 1qkz n PRO 120 Ca 0.09 0.35 -0.31 0.00 -2.02 0.00 0.00 63.50 61.61 1qkz n PRO 120 Cb 0.53 -2.09 -0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1qkz n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1qkz s SER 121 N -1.15 6.36 0.25 2.55 1.04 -1.26 -4.92 113.70 116.57 1qkz s SER 121 Ca 0.73 1.46 -0.04 0.00 0.48 0.00 0.00 55.95 58.58 1qkz s SER 121 Cb -0.44 -2.48 0.45 0.00 0.10 0.00 0.00 66.02 63.65 1qkz s SER 121 CO 0.50 -0.77 1.76 0.28 0.98 0.00 0.00 173.24 175.99 1qkz h SER 122 N 0.09 0.46 0.08 7.02 0.02 -1.99 -0.98 113.55 118.25 1qkz h SER 122 Ca -0.45 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1qkz h SER 122 Cb 1.19 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1qkz h SER 122 CO 0.62 0.22 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.98 1qkz h GLU 123 N 0.59 -0.37 -0.74 3.45 3.07 -2.00 -0.91 114.58 117.67 1qkz h GLU 123 Ca 0.41 0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.25 1qkz h GLU 123 Cb 0.54 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 1qkz h GLU 123 CO -0.34 -0.25 0.26 0.37 -1.40 0.00 0.00 179.01 177.66 1qkz h GLN 124 N -0.38 1.13 -0.43 2.33 4.15 -1.74 -2.58 115.11 117.59 1qkz h GLN 124 Ca 0.04 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.14 1qkz h GLN 124 Cb 0.42 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1qkz h GLN 124 CO -0.14 0.94 -0.12 -0.07 -1.93 0.00 0.00 178.83 177.51 1qkz h LEU 125 N 1.09 0.77 -1.15 -2.39 3.38 -0.94 -1.47 115.31 114.59 1qkz h LEU 125 Ca 0.24 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.10 1qkz h LEU 125 Cb 0.26 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1qkz h LEU 125 CO -0.01 0.91 0.60 0.74 0.09 0.00 0.00 178.44 180.76 1qkz h THR 126 N 0.70 0.91 0.00 0.22 2.02 -0.86 -0.18 112.91 115.72 1qkz h THR 126 Ca 0.12 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1qkz h THR 126 Cb 0.60 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1qkz h THR 126 CO 0.04 0.16 0.00 0.77 0.37 0.00 0.00 175.52 176.86 1qkz h SER 127 N 0.88 0.00 0.00 4.18 4.64 -0.92 -3.46 113.55 118.86 1qkz h SER 127 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1qkz h SER 127 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1qkz h SER 127 CO -0.22 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.35 1qkz n GLY 128 N 0.33 0.91 3.56 -0.77 0.00 -0.08 -5.09 105.19 104.05 1qkz n GLY 128 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1qkz n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qkz s GLY 129 N -1.81 2.31 -0.27 -0.02 0.00 -0.71 -2.70 107.32 104.11 1qkz s GLY 129 Ca 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 44.72 42.53 1qkz s GLY 129 CO 0.00 -2.01 0.35 0.00 0.00 0.00 0.00 173.10 171.44 1qkz s ALA 130 N -2.84 -0.86 -0.15 3.20 0.00 -0.43 -3.41 121.76 117.28 1qkz s ALA 130 Ca 0.34 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1qkz s ALA 130 Cb 0.08 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 1qkz s ALA 130 CO 0.17 -1.55 -0.04 -1.12 0.00 0.00 0.00 175.76 173.22 1qkz s SER 131 N 2.47 4.79 -0.17 0.00 0.01 -1.26 -0.22 113.70 119.32 1qkz s SER 131 Ca 0.10 -0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.21 1qkz s SER 131 Cb -0.14 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.33 1qkz s SER 131 CO -0.25 0.19 -0.05 -0.69 0.41 0.00 0.00 173.24 172.85 1qkz s VAL 132 N 0.25 3.65 0.10 3.43 1.01 0.09 -2.89 120.40 126.03 1qkz s VAL 132 Ca -0.03 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.62 1qkz s VAL 132 Cb -0.14 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1qkz s VAL 132 CO 0.03 0.47 -0.26 -0.69 0.00 0.00 0.00 175.10 174.66 1qkz s VAL 133 N 0.67 2.11 -0.03 2.92 1.01 -0.58 -0.04 120.40 126.45 1qkz s VAL 133 Ca -0.03 -1.58 -0.00 0.00 0.00 0.00 0.00 61.98 60.37 1qkz s VAL 133 Cb -0.15 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1qkz s VAL 133 CO 0.02 0.16 0.02 0.00 0.00 0.00 0.00 175.10 175.30 1qkz s PHE 135 N 1.31 3.17 -0.43 0.00 0.08 -0.35 -0.64 117.98 121.11 1qkz s PHE 135 Ca -0.06 0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.12 1qkz s PHE 135 Cb -0.13 -1.88 0.12 0.00 -0.57 0.00 0.00 43.02 40.56 1qkz s PHE 135 CO -0.03 0.33 0.18 -0.51 -0.10 0.00 0.00 175.22 175.09 1qkz s LEU 136 N -0.43 4.02 0.03 -0.37 1.02 0.75 -1.54 118.68 122.17 1qkz s LEU 136 Ca 0.08 -2.56 0.02 0.00 0.02 0.00 0.00 54.13 51.69 1qkz s LEU 136 Cb -0.12 -1.47 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 1qkz s LEU 136 CO 0.02 -0.30 0.00 0.20 0.02 0.00 0.00 176.35 176.29 1qkz s ASN 137 N 0.35 5.11 -1.06 2.29 0.01 -0.44 -0.00 114.94 121.20 1qkz s ASN 137 Ca 0.15 -0.06 -0.11 0.00 -0.71 0.00 0.00 52.86 52.13 1qkz s ASN 137 Cb -0.23 -1.30 -0.04 0.00 0.41 0.00 0.00 41.25 40.09 1qkz s ASN 137 CO -0.05 0.25 0.86 0.59 -1.51 0.00 0.00 177.10 177.24 1qkz n ASN 138 N 1.13 -6.20 -4.62 -1.22 3.02 -0.86 -1.15 115.26 105.36 1qkz n ASN 138 Ca -0.13 -0.80 -0.26 0.00 -0.03 0.00 0.00 54.58 53.36 1qkz n ASN 138 Cb 0.52 -4.48 -0.10 0.00 -0.61 0.00 0.00 39.78 35.11 1qkz n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1qkz s PHE 139 N -3.39 2.51 -0.28 3.10 -0.12 -0.10 -4.53 117.98 115.16 1qkz s PHE 139 Ca 0.44 -0.55 -0.17 0.00 -0.05 0.00 0.00 56.93 56.59 1qkz s PHE 139 Cb -0.10 -1.62 0.11 0.00 -0.63 0.00 0.00 43.02 40.78 1qkz s PHE 139 CO 0.79 0.46 0.84 -0.47 -0.05 0.00 0.00 175.22 176.79 1qkz s TYR 140 N -2.62 -0.78 0.56 3.49 6.14 -0.07 -0.55 117.35 123.53 1qkz s TYR 140 Ca 0.35 1.61 -0.10 0.00 0.64 0.00 0.00 57.07 59.58 1qkz s TYR 140 Cb 0.04 0.46 0.13 0.00 0.42 0.00 0.00 41.96 43.02 1qkz s TYR 140 CO 0.19 -0.39 0.64 -0.35 0.64 0.00 0.00 175.55 176.28 1qkz n PRO 141 N 3.75 -1.30 -0.07 4.97 -0.04 -1.26 0.37 135.00 141.41 1qkz n PRO 141 Ca -0.18 -1.00 -0.07 0.00 -0.04 0.00 0.00 63.50 62.20 1qkz n PRO 141 Cb 0.58 -0.77 0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1qkz n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1qkz h LYS 142 N 0.00 0.74 -6.33 0.54 3.64 -1.98 -3.44 116.57 109.73 1qkz h LYS 142 Ca -0.22 -0.30 -0.60 0.00 -1.27 0.00 0.00 60.65 58.26 1qkz h LYS 142 Cb 0.63 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1qkz h LYS 142 CO 0.15 0.91 1.07 -0.25 -2.27 0.00 0.00 179.45 179.06 1qkz n ASP 143 N -4.10 3.50 -3.73 4.20 9.92 -1.26 -4.95 116.55 120.13 1qkz n ASP 143 Ca -0.00 0.98 -0.13 0.00 -0.53 0.00 0.00 54.79 55.11 1qkz n ASP 143 Cb 0.44 -1.41 -0.10 0.00 -0.64 0.00 0.00 41.12 39.42 1qkz n ASP 143 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1qkz s ILE 144 N 3.55 0.01 -0.09 0.53 2.07 -1.26 -4.62 121.20 121.39 1qkz s ILE 144 Ca 0.90 -0.09 0.03 0.00 -1.41 0.00 0.00 60.65 60.08 1qkz s ILE 144 Cb -0.65 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.33 1qkz s ILE 144 CO 0.48 -0.05 -0.18 0.20 -1.91 0.00 0.00 174.94 173.48 1qkz s ASN 145 N -0.12 3.64 -0.04 4.50 0.01 -0.27 -4.99 114.94 117.66 1qkz s ASN 145 Ca -0.03 -0.38 0.05 0.00 -0.71 0.00 0.00 52.86 51.79 1qkz s ASN 145 Cb -0.03 -1.26 -0.01 0.00 0.41 0.00 0.00 41.25 40.36 1qkz s ASN 145 CO 0.02 0.22 -0.20 0.54 -1.51 0.00 0.00 177.10 176.16 1qkz s VAL 146 N 0.02 1.66 -0.04 1.60 0.11 -1.26 -0.44 120.40 122.06 1qkz s VAL 146 Ca -0.06 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.17 1qkz s VAL 146 Cb -0.15 -1.41 -0.00 0.00 -1.53 0.00 0.00 36.38 33.29 1qkz s VAL 146 CO 0.05 0.47 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.60 1qkz s LYS 147 N -0.13 1.52 -0.16 1.54 1.02 0.54 -4.98 119.74 119.09 1qkz s LYS 147 Ca -0.01 -0.53 -0.13 0.00 0.02 0.00 0.00 55.97 55.32 1qkz s LYS 147 Cb -0.11 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.79 1qkz s LYS 147 CO 0.02 0.22 0.26 -1.58 -0.92 0.00 0.00 175.35 173.35 1qkz s TRP 148 N 0.03 3.47 -0.08 3.18 0.52 -1.26 -0.67 118.94 124.14 1qkz s TRP 148 Ca -0.02 0.56 0.02 0.00 0.02 0.00 0.00 56.10 56.68 1qkz s TRP 148 Cb -0.10 -2.28 0.01 0.00 -1.15 0.00 0.00 33.47 29.95 1qkz s TRP 148 CO 0.01 0.30 -0.14 0.15 0.02 0.00 0.00 176.95 177.29 1qkz s LYS 149 N 0.27 1.98 -0.23 4.98 1.02 -0.18 -1.50 119.74 126.07 1qkz s LYS 149 Ca 0.15 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.65 1qkz s LYS 149 Cb -0.13 -1.63 0.06 0.00 -0.52 0.00 0.00 37.83 35.61 1qkz s LYS 149 CO 0.03 0.02 -0.07 0.42 -0.92 0.00 0.00 175.35 174.83 1qkz s ILE 150 N 0.71 1.68 -1.54 2.17 1.01 0.79 -0.92 121.20 125.10 1qkz s ILE 150 Ca -0.13 -1.25 -0.14 0.00 0.00 0.00 0.00 60.65 59.13 1qkz s ILE 150 Cb -0.16 -1.87 0.09 0.00 0.01 0.00 0.00 42.46 40.53 1qkz s ILE 150 CO 0.03 -0.03 0.91 0.47 0.00 0.00 0.00 174.94 176.33 1qkz n ASP 151 N 4.63 -4.63 0.00 3.58 8.00 -0.08 -1.52 116.55 126.53 1qkz n ASP 151 Ca -0.13 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1qkz n ASP 151 Cb 0.44 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 1qkz n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qkz n GLY 152 N -1.61 2.69 3.85 0.44 0.00 -1.26 -5.03 105.19 104.27 1qkz n GLY 152 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1qkz n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qkz s LYS 153 N -0.38 3.83 0.46 1.61 3.01 -0.57 -4.99 119.74 122.71 1qkz s LYS 153 Ca 0.00 0.29 -0.23 0.00 -1.01 0.00 0.00 55.97 55.02 1qkz s LYS 153 Cb 0.00 -3.10 -0.08 0.00 -1.01 0.00 0.00 37.83 33.64 1qkz s LYS 153 CO 0.00 0.63 1.13 -1.21 0.51 0.00 0.00 175.35 176.40 1qkz s GLU 154 N -1.50 3.81 -0.14 1.68 2.02 -1.26 -0.15 118.70 123.16 1qkz s GLU 154 Ca 0.28 1.67 -0.00 0.00 0.02 0.00 0.00 54.97 56.94 1qkz s GLU 154 Cb -0.15 -2.37 0.03 0.00 0.10 0.00 0.00 34.13 31.74 1qkz s GLU 154 CO 0.15 -0.48 -0.07 0.50 0.02 0.00 0.00 175.26 175.38 1qkz s ARG 155 N -2.75 1.53 -0.13 1.61 3.52 -0.56 -4.89 118.95 117.28 1qkz s ARG 155 Ca 0.63 -0.40 0.11 0.00 -0.13 0.00 0.00 55.73 55.95 1qkz s ARG 155 Cb -0.26 -1.83 -0.16 0.00 -1.56 0.00 0.00 34.95 31.15 1qkz s ARG 155 CO 0.31 -0.34 0.05 1.04 -0.81 0.00 0.00 175.30 175.54 1qkz n GLN 156 N 4.90 1.89 -1.78 5.12 6.02 -1.26 -4.21 117.38 128.04 1qkz n GLN 156 Ca -0.12 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.43 1qkz n GLN 156 Cb 0.49 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.39 1qkz n GLN 156 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1qkz s ASN 157 N -4.58 6.24 0.00 1.08 3.84 -1.26 -2.46 114.94 117.80 1qkz s ASN 157 Ca -0.06 2.25 0.00 0.00 0.21 0.00 0.00 52.86 55.25 1qkz s ASN 157 Cb 0.04 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 1qkz s ASN 157 CO 0.53 -1.28 0.00 0.61 -2.79 0.00 0.00 177.10 174.17 1qkz n GLY 158 N 4.78 0.79 3.75 1.21 0.00 -1.26 -4.83 105.19 109.62 1qkz n GLY 158 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1qkz n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qkz s VAL 159 N -2.07 5.31 -0.04 1.61 1.01 -1.03 -0.81 120.40 124.39 1qkz s VAL 159 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1qkz s VAL 159 Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1qkz s VAL 159 CO 0.00 0.42 -0.10 -0.76 0.00 0.00 0.00 175.10 174.66 1qkz s LEU 160 N 0.24 1.67 0.08 3.92 1.43 -0.36 -4.97 118.68 120.68 1qkz s LEU 160 Ca 0.16 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1qkz s LEU 160 Cb -0.13 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1qkz s LEU 160 CO 0.04 0.04 -0.09 0.20 0.23 0.00 0.00 176.35 176.77 1qkz s ASN 161 N 0.48 4.47 -0.04 2.29 0.01 -1.26 -1.07 114.94 119.81 1qkz s ASN 161 Ca -0.09 -0.31 -0.01 0.00 -0.71 0.00 0.00 52.86 51.73 1qkz s ASN 161 Cb -0.13 -0.91 0.03 0.00 0.41 0.00 0.00 41.25 40.66 1qkz s ASN 161 CO 0.02 0.21 0.09 -0.55 -1.51 0.00 0.00 177.10 175.35 1qkz s SER 162 N -1.99 0.07 -0.12 -1.22 0.15 -0.03 -4.99 113.70 105.58 1qkz s SER 162 Ca 0.20 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 1qkz s SER 162 Cb -0.11 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 1qkz s SER 162 CO 0.12 -0.15 -0.07 0.26 1.20 0.00 0.00 173.24 174.61 1qkz s TRP 163 N 1.22 2.95 0.51 3.44 0.52 -1.26 -0.43 118.94 125.89 1qkz s TRP 163 Ca -0.08 -0.24 -0.19 0.00 0.02 0.00 0.00 56.10 55.61 1qkz s TRP 163 Cb -0.12 -1.84 -0.07 0.00 -1.15 0.00 0.00 33.47 30.28 1qkz s TRP 163 CO -0.04 0.07 1.03 -0.08 0.02 0.00 0.00 176.95 177.95 1qkz s THR 164 N -0.09 3.88 0.86 2.01 -1.32 -0.65 -5.02 115.64 115.32 1qkz s THR 164 Ca 0.01 1.08 -0.11 0.00 -1.21 0.00 0.00 61.69 61.46 1qkz s THR 164 Cb -0.13 -3.46 0.11 0.00 -1.51 0.00 0.00 72.50 67.50 1qkz s THR 164 CO 0.03 -0.34 1.09 -1.81 -2.21 0.00 0.00 174.62 171.38 1qkz s ASP 165 N -2.27 3.81 1.14 8.08 1.01 -1.26 -4.56 116.67 122.63 1qkz s ASP 165 Ca 0.65 1.50 -0.16 0.00 0.71 0.00 0.00 52.55 55.26 1qkz s ASP 165 Cb -0.15 -2.20 0.25 0.00 1.01 0.00 0.00 42.92 41.82 1qkz s ASP 165 CO 0.24 -2.43 0.55 1.67 0.21 0.00 0.00 175.17 175.42 1qkz n GLN 166 N -3.75 -3.15 0.00 8.23 7.27 -1.26 -4.79 117.38 119.92 1qkz n GLN 166 Ca 0.07 -0.94 0.00 0.00 0.07 0.00 0.00 57.00 56.21 1qkz n GLN 166 Cb 0.55 -1.60 0.00 0.00 2.41 0.00 0.00 30.24 31.60 1qkz n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1qkz n ASP 170 N -2.71 0.00 0.00 1.69 2.03 -1.26 -4.18 116.55 112.12 1qkz n ASP 170 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1qkz n ASP 170 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1qkz n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1qkz n SER 171 N 0.00 -3.62 -4.98 1.67 7.64 -1.26 -5.01 113.62 108.06 1qkz n SER 171 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1qkz n SER 171 Cb 0.00 -1.48 0.03 0.00 -1.01 0.00 0.00 64.21 61.76 1qkz n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1qkz s THR 172 N -1.79 2.75 0.21 0.44 -4.23 -1.26 -4.85 115.64 106.92 1qkz s THR 172 Ca 0.00 -0.71 0.09 0.00 -1.18 0.00 0.00 61.69 59.89 1qkz s THR 172 Cb 0.00 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 1qkz s THR 172 CO 0.00 -0.01 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.71 1qkz s TYR 173 N -2.70 2.69 0.07 3.99 2.02 0.29 -4.54 117.35 119.17 1qkz s TYR 173 Ca 0.57 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.06 1qkz s TYR 173 Cb -0.10 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 1qkz s TYR 173 CO 0.38 0.55 -0.04 -1.12 -1.57 0.00 0.00 175.55 173.75 1qkz s SER 174 N -3.15 0.76 -0.13 2.29 0.01 -1.26 -0.92 113.70 111.30 1qkz s SER 174 Ca 0.28 -1.01 -0.19 0.00 1.31 0.00 0.00 55.95 56.34 1qkz s SER 174 Cb -0.08 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.36 1qkz s SER 174 CO 0.17 -0.55 0.49 -0.32 0.41 0.00 0.00 173.24 173.45 1qkz s MET 175 N -3.89 0.69 -0.03 12.44 1.75 1.00 -1.63 119.30 129.63 1qkz s MET 175 Ca 0.09 0.44 0.06 0.00 -1.25 0.00 0.00 55.69 55.03 1qkz s MET 175 Cb 0.07 0.33 -0.02 0.00 2.84 0.00 0.00 34.83 38.04 1qkz s MET 175 CO -0.08 -0.14 -0.19 -1.54 -0.65 0.00 0.00 175.02 172.42 1qkz s SER 176 N -0.32 3.63 -0.09 1.11 1.04 0.42 -0.18 113.70 119.32 1qkz s SER 176 Ca -0.05 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.09 1qkz s SER 176 Cb -0.03 -0.63 0.01 0.00 0.10 0.00 0.00 66.02 65.46 1qkz s SER 176 CO 0.03 0.33 -0.19 -0.55 0.98 0.00 0.00 173.24 173.83 1qkz s SER 177 N -0.76 2.61 -0.10 7.02 0.15 0.18 -0.85 113.70 121.96 1qkz s SER 177 Ca 0.11 -0.47 -0.00 0.00 0.70 0.00 0.00 55.95 56.29 1qkz s SER 177 Cb -0.10 -1.19 0.02 0.00 -1.71 0.00 0.00 66.02 63.04 1qkz s SER 177 CO 0.00 0.10 -0.07 -0.89 1.20 0.00 0.00 173.24 173.59 1qkz s THR 178 N 0.52 0.89 -0.31 6.45 2.01 -0.24 -0.44 115.64 124.53 1qkz s THR 178 Ca -0.16 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 1qkz s THR 178 Cb -0.17 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1qkz s THR 178 CO 0.06 0.34 0.23 -0.22 -0.69 0.00 0.00 174.62 174.34 1qkz s LEU 179 N 1.60 4.28 -0.26 4.42 2.96 0.94 -1.23 118.68 131.39 1qkz s LEU 179 Ca 0.02 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1qkz s LEU 179 Cb -0.13 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1qkz s LEU 179 CO -0.06 -0.16 0.08 -0.89 -1.32 0.00 0.00 176.35 174.00 1qkz s THR 180 N 1.78 4.40 0.39 3.68 2.01 0.01 -0.73 115.64 127.18 1qkz s THR 180 Ca 0.07 -0.17 0.05 0.00 0.31 0.00 0.00 61.69 61.95 1qkz s THR 180 Cb -0.17 -3.08 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 1qkz s THR 180 CO 0.11 0.31 0.03 -0.76 -0.69 0.00 0.00 174.62 173.62 1qkz s LEU 181 N 1.62 2.54 0.73 4.42 1.43 0.69 -4.73 118.68 125.39 1qkz s LEU 181 Ca 0.06 -1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 51.65 1qkz s LEU 181 Cb -0.15 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 45.44 1qkz s LEU 181 CO 0.04 -0.56 1.10 0.42 0.23 0.00 0.00 176.35 177.59 1qkz s THR 182 N -2.96 2.85 0.19 5.49 -4.23 -1.26 -1.31 115.64 114.41 1qkz s THR 182 Ca 0.33 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 1qkz s THR 182 Cb 0.09 -3.26 0.11 0.00 1.34 0.00 0.00 72.50 70.78 1qkz s THR 182 CO 0.16 -0.32 1.83 0.50 -0.54 0.00 0.00 174.62 176.25 1qkz h LYS 183 N -0.74 0.89 -0.56 3.99 3.64 -1.72 -1.41 116.57 120.66 1qkz h LYS 183 Ca -0.45 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 58.89 1qkz h LYS 183 Cb 1.29 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 1qkz h LYS 183 CO 0.64 0.63 0.30 -0.44 -2.27 0.00 0.00 179.45 178.31 1qkz h ASP 184 N 0.89 0.44 -0.47 4.20 3.32 -1.93 -1.20 116.42 121.67 1qkz h ASP 184 Ca 0.23 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1qkz h ASP 184 Cb -0.03 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1qkz h ASP 184 CO -0.04 0.30 0.12 -0.33 -1.72 0.00 0.00 179.24 177.56 1qkz h GLU 185 N 0.57 0.75 -0.65 3.56 4.39 -1.86 -2.85 114.58 118.49 1qkz h GLU 185 Ca 0.24 -0.18 0.06 0.00 0.34 0.00 0.00 59.36 59.82 1qkz h GLU 185 Cb 0.13 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1qkz h GLU 185 CO -0.16 0.74 0.43 -0.92 -1.16 0.00 0.00 179.01 177.94 1qkz h TYR 186 N 0.63 0.67 0.00 4.33 3.20 -0.81 -0.34 116.97 124.65 1qkz h TYR 186 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1qkz h TYR 186 Cb 0.32 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1qkz h TYR 186 CO 0.02 0.37 0.00 0.39 -1.64 0.00 0.00 178.16 177.30 1qkz n GLU 187 N -4.47 0.08 0.22 1.82 1.02 -0.49 -3.46 120.64 115.35 1qkz n GLU 187 Ca 0.09 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1qkz n GLU 187 Cb 0.21 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.60 1qkz n GLU 187 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qkz h ARG 188 N 0.00 0.00 -4.69 3.49 3.08 -0.82 -3.45 114.38 111.98 1qkz h ARG 188 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 1qkz h ARG 188 Cb 0.45 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.35 1qkz h ARG 188 CO 0.00 0.24 -0.70 -1.01 -1.07 0.00 0.00 179.97 177.43 1qkz s HIS 189 N -3.71 0.92 -0.08 3.04 3.76 -1.22 -5.08 115.29 112.91 1qkz s HIS 189 Ca 0.00 -0.88 0.07 0.00 -0.15 0.00 0.00 55.06 54.10 1qkz s HIS 189 Cb 0.11 -0.52 -0.10 0.00 1.11 0.00 0.00 32.58 33.18 1qkz s HIS 189 CO 0.64 -0.12 0.02 0.09 -0.85 0.00 0.00 174.74 174.52 1qkz n ASN 190 N 0.01 3.07 -4.53 1.40 3.02 -1.26 -4.81 115.26 112.16 1qkz n ASN 190 Ca -0.12 -0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.04 1qkz n ASN 190 Cb 0.60 0.66 -0.11 0.00 -0.61 0.00 0.00 39.78 40.32 1qkz n ASN 190 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qkz s SER 191 N -4.01 5.73 -0.15 6.41 0.15 -1.26 -0.38 113.70 120.19 1qkz s SER 191 Ca -0.04 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1qkz s SER 191 Cb 0.02 -2.06 0.01 0.00 -1.71 0.00 0.00 66.02 62.28 1qkz s SER 191 CO 0.32 -0.08 -0.20 -0.31 1.20 0.00 0.00 173.24 174.17 1qkz s TYR 192 N 1.70 2.71 -0.01 3.44 1.51 -0.62 -0.90 117.35 125.17 1qkz s TYR 192 Ca 0.06 -1.25 0.03 0.00 -1.01 0.00 0.00 57.07 54.91 1qkz s TYR 192 Cb -0.16 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1qkz s TYR 192 CO 0.08 -0.57 -0.11 0.99 -1.11 0.00 0.00 175.55 174.84 1qkz s THR 193 N 0.83 0.86 -0.23 -0.71 2.01 -0.09 -1.11 115.64 117.18 1qkz s THR 193 Ca -0.06 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 1qkz s THR 193 Cb -0.15 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1qkz s THR 193 CO -0.02 0.24 -0.04 0.00 -0.69 0.00 0.00 174.62 174.12 1qkz s GLU 195 N 1.43 3.01 -0.10 0.00 2.12 0.16 -1.51 118.70 123.82 1qkz s GLU 195 Ca 0.04 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.53 1qkz s GLU 195 Cb -0.15 -2.34 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 1qkz s GLU 195 CO -0.03 0.10 -0.18 0.00 -0.54 0.00 0.00 175.26 174.61 1qkz s ALA 196 N 0.55 2.46 -0.19 6.30 0.00 0.29 -0.34 121.76 130.82 1qkz s ALA 196 Ca -0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1qkz s ALA 196 Cb -0.17 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 21.96 1qkz s ALA 196 CO 0.04 0.34 -0.14 0.99 0.00 0.00 0.00 175.76 177.00 1qkz s THR 197 N 0.07 2.65 0.13 0.00 2.01 0.41 -0.59 115.64 120.32 1qkz s THR 197 Ca -0.07 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1qkz s THR 197 Cb -0.15 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1qkz s THR 197 CO 0.05 0.49 -0.10 -2.28 -0.69 0.00 0.00 174.62 172.10 1qkz s HIS 198 N 1.24 1.17 0.49 4.92 2.46 -1.26 -1.12 115.29 123.19 1qkz s HIS 198 Ca 0.03 -0.73 0.18 0.00 0.47 0.00 0.00 55.06 55.01 1qkz s HIS 198 Cb -0.14 -0.62 1.21 0.00 -0.13 0.00 0.00 32.58 32.90 1qkz s HIS 198 CO -0.07 0.04 2.02 1.57 -2.47 0.00 0.00 174.74 175.83 1qkz h LYS 199 N 3.07 0.17 -0.04 2.88 5.09 -1.94 -2.44 116.57 123.36 1qkz h LYS 199 Ca -0.37 -0.01 0.01 0.00 0.09 0.00 0.00 60.65 60.37 1qkz h LYS 199 Cb 1.19 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 33.48 1qkz h LYS 199 CO 0.60 0.11 0.06 1.79 -2.09 0.00 0.00 179.45 179.92 1qkz h THR 200 N 0.18 0.33 -3.26 0.07 1.35 -1.92 -3.43 112.91 106.22 1qkz h THR 200 Ca 0.21 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.94 1qkz h THR 200 Cb 0.59 0.95 -0.20 0.00 -1.73 0.00 0.00 68.15 67.75 1qkz h THR 200 CO -0.03 0.00 -0.37 -0.55 -0.25 0.00 0.00 175.52 174.32 1qkz s SER 201 N -5.69 -0.09 0.36 5.36 0.15 -0.92 -5.02 113.70 107.85 1qkz s SER 201 Ca -0.05 -0.06 0.19 0.00 0.70 0.00 0.00 55.95 56.73 1qkz s SER 201 Cb 0.14 0.26 0.49 0.00 -1.71 0.00 0.00 66.02 65.20 1qkz s SER 201 CO 0.49 -0.42 1.64 0.71 1.20 0.00 0.00 173.24 176.86 1qkz h THR 202 N 4.01 0.68 -3.14 6.45 1.35 -1.85 -3.41 112.91 117.00 1qkz h THR 202 Ca -0.30 -1.62 -0.60 0.00 -0.55 0.00 0.00 66.41 63.33 1qkz h THR 202 Cb 1.18 2.08 -0.08 0.00 -1.73 0.00 0.00 68.15 69.60 1qkz h THR 202 CO 0.41 0.34 -0.30 -0.44 -0.25 0.00 0.00 175.52 175.28 1qkz s SER 203 N -6.33 6.55 0.58 5.36 0.01 -1.26 -5.07 113.70 113.53 1qkz s SER 203 Ca 0.02 0.65 -0.19 0.00 1.31 0.00 0.00 55.95 57.74 1qkz s SER 203 Cb 0.09 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1qkz s SER 203 CO 0.69 0.19 1.18 -2.84 0.41 0.00 0.00 173.24 172.86 1qkz s PRO 204 N -0.11 3.11 -0.32 12.44 0.02 -1.26 -4.86 135.00 144.02 1qkz s PRO 204 Ca 0.19 1.73 -0.16 0.00 0.02 0.00 0.00 61.00 62.78 1qkz s PRO 204 Cb -0.14 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 1qkz s PRO 204 CO 0.07 -1.07 0.43 0.42 -0.33 0.00 0.00 177.00 176.52 1qkz s ILE 205 N -1.68 5.10 -0.15 2.83 1.01 0.24 -4.89 121.20 123.67 1qkz s ILE 205 Ca 0.75 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1qkz s ILE 205 Cb -0.28 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1qkz s ILE 205 CO 0.31 -0.08 -0.15 0.68 0.00 0.00 0.00 174.94 175.70 1qkz s VAL 206 N 2.20 2.76 -0.08 2.92 -7.23 -1.26 -0.55 120.40 119.16 1qkz s VAL 206 Ca 0.16 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.61 1qkz s VAL 206 Cb -0.16 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.62 1qkz s VAL 206 CO 0.12 0.52 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.71 1qkz s LYS 207 N 0.69 2.29 0.19 4.82 -0.14 -0.57 -4.99 119.74 122.02 1qkz s LYS 207 Ca -0.07 -0.62 0.02 0.00 -1.36 0.00 0.00 55.97 53.94 1qkz s LYS 207 Cb -0.16 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.15 1qkz s LYS 207 CO 0.02 0.10 0.02 -1.12 -0.76 0.00 0.00 175.35 173.60 1qkz s SER 208 N 0.52 1.22 0.20 2.83 0.01 -1.26 -0.44 113.70 116.78 1qkz s SER 208 Ca -0.16 -1.21 -0.13 0.00 1.31 0.00 0.00 55.95 55.75 1qkz s SER 208 Cb -0.17 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.19 1qkz s SER 208 CO 0.06 -0.59 0.44 0.72 0.41 0.00 0.00 173.24 174.27 1qkz s PHE 209 N -3.67 0.18 -0.14 2.43 -0.12 -0.27 -5.00 117.98 111.41 1qkz s PHE 209 Ca 0.26 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 56.62 1qkz s PHE 209 Cb 0.06 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 1qkz s PHE 209 CO 0.06 -0.88 -0.19 1.21 -0.05 0.00 0.00 175.22 175.36 1qkz s ASN 210 N -2.95 3.39 0.41 1.98 2.47 -1.26 -1.59 114.94 117.39 1qkz s ASN 210 Ca 0.16 -0.52 0.17 0.00 0.42 0.00 0.00 52.86 53.08 1qkz s ASN 210 Cb 0.00 -1.50 1.05 0.00 -1.45 0.00 0.00 41.25 39.36 1qkz s ASN 210 CO 0.02 0.10 1.84 -0.09 -3.72 0.00 0.00 177.10 175.25 1qkz h ARG 211 N 7.16 0.43 -0.69 0.43 2.43 -1.03 -2.32 114.38 120.78 1qkz h ARG 211 Ca -0.30 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1qkz h ARG 211 Cb 1.20 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1qkz h ARG 211 CO 0.55 0.28 0.00 0.09 -1.51 0.00 0.00 179.97 179.38 1qkz n ASN 212 N -4.54 3.55 -0.70 -3.80 3.02 -1.26 -5.13 115.26 106.41 1qkz n ASN 212 Ca 0.20 -2.45 0.13 0.00 -0.03 0.00 0.00 54.58 52.43 1qkz n ASN 212 Cb 0.71 -0.55 0.33 0.00 -0.61 0.00 0.00 39.78 39.66 1qkz n ASN 212 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02