#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqy n GLU 2 N 0.00 2.28 -1.10 5.31 1.02 -1.26 -4.41 120.64 122.49 2jqy n GLU 2 Ca 0.00 -2.98 -0.14 0.00 -0.02 0.00 0.00 57.16 54.01 2jqy n GLU 2 Cb 0.00 -2.17 0.16 0.00 -0.02 0.00 0.00 31.44 29.41 2jqy n GLU 2 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jqy n ARG 3 N -1.08 2.22 -0.87 3.49 1.74 -1.26 -4.53 116.66 116.37 2jqy n ARG 3 Ca 0.59 -3.29 -0.02 0.00 -0.77 0.00 0.00 57.85 54.36 2jqy n ARG 3 Cb 1.51 -2.00 0.18 0.00 -1.02 0.00 0.00 32.46 31.13 2jqy n ARG 3 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jqy n ASN 4 N -1.06 2.47 0.03 0.55 4.13 -1.26 -4.78 115.26 115.34 2jqy n ASN 4 Ca 0.43 -3.85 0.00 0.00 1.68 0.00 0.00 54.58 52.84 2jqy n ASN 4 Cb 1.11 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 2jqy n ASN 4 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2jqy n ASP 5 N -1.07 0.03 -3.70 6.41 -0.08 -1.26 -4.59 116.55 112.29 2jqy n ASP 5 Ca 0.28 0.10 -0.11 0.00 -1.51 0.00 0.00 54.79 53.55 2jqy n ASP 5 Cb 0.84 0.06 -0.10 0.00 2.34 0.00 0.00 41.12 44.25 2jqy n ASP 5 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2jqy s TRP 6 N -1.24 -0.58 -0.13 -0.67 -0.00 -1.21 -4.33 118.94 110.78 2jqy s TRP 6 Ca 0.00 1.28 0.02 0.00 -0.00 0.00 0.00 56.10 57.40 2jqy s TRP 6 Cb 0.00 0.25 -0.00 0.00 -0.00 0.00 0.00 33.47 33.72 2jqy s TRP 6 CO 0.00 -0.32 -0.19 -1.58 -0.00 0.00 0.00 176.95 174.86 2jqy s HIS 7 N 1.07 2.69 -0.24 5.86 2.46 -0.68 -4.88 115.29 121.58 2jqy s HIS 7 Ca -0.07 -1.04 -0.06 0.00 0.47 0.00 0.00 55.06 54.36 2jqy s HIS 7 Cb -0.07 -1.81 -0.02 0.00 -0.13 0.00 0.00 32.58 30.55 2jqy s HIS 7 CO -0.09 -0.44 0.04 0.12 -2.47 0.00 0.00 174.74 171.90 2jqy s PHE 8 N 0.58 3.05 -0.03 3.88 2.19 -1.16 -2.88 117.98 123.61 2jqy s PHE 8 Ca -0.11 -0.54 0.01 0.00 0.33 0.00 0.00 56.93 56.62 2jqy s PHE 8 Cb -0.16 -2.19 0.02 0.00 -1.31 0.00 0.00 43.02 39.37 2jqy s PHE 8 CO 0.03 -0.39 -0.02 -0.80 1.83 0.00 0.00 175.22 175.88 2jqy s ASN 9 N 1.51 0.56 -0.19 6.13 -0.87 -1.13 0.12 114.94 121.06 2jqy s ASN 9 Ca 0.06 -0.06 0.01 0.00 -1.57 0.00 0.00 52.86 51.29 2jqy s ASN 9 Cb -0.15 -0.25 0.04 0.00 -0.02 0.00 0.00 41.25 40.88 2jqy s ASN 9 CO 0.02 -0.06 -0.09 0.27 -2.57 0.00 0.00 177.10 174.67 2jqy s ILE 10 N 0.77 1.52 -0.27 0.60 -4.36 -0.03 -1.04 121.20 118.39 2jqy s ILE 10 Ca -0.08 -0.92 -0.06 0.00 -0.26 0.00 0.00 60.65 59.33 2jqy s ILE 10 Cb -0.12 -1.62 -0.00 0.00 1.25 0.00 0.00 42.46 41.98 2jqy s ILE 10 CO -0.01 0.16 0.04 -0.83 0.24 0.00 0.00 174.94 174.54 2jqy s GLY 11 N 1.45 1.73 -0.22 6.27 0.00 -0.94 -0.91 107.32 114.71 2jqy s GLY 11 Ca -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2jqy s GLY 11 CO -0.08 0.57 -0.12 0.00 0.00 0.00 0.00 173.10 173.46 2jqy s ALA 12 N 1.50 2.54 -0.04 3.20 0.00 0.17 0.10 121.76 129.23 2jqy s ALA 12 Ca 0.04 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 2jqy s ALA 12 Cb -0.16 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2jqy s ALA 12 CO 0.01 -0.70 0.11 -1.64 0.00 0.00 0.00 175.76 173.53 2jqy s MET 13 N 1.27 3.22 0.01 0.00 -1.94 -0.20 0.11 119.30 121.76 2jqy s MET 13 Ca 0.00 -0.36 0.03 0.00 -1.71 0.00 0.00 55.69 53.65 2jqy s MET 13 Cb -0.16 -2.98 -0.01 0.00 2.01 0.00 0.00 34.83 33.70 2jqy s MET 13 CO -0.08 0.69 -0.09 0.71 -0.01 0.00 0.00 175.02 176.24 2jqy s TYR 14 N -1.15 0.83 0.22 -0.03 1.51 0.17 -1.92 117.35 116.98 2jqy s TYR 14 Ca 0.21 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.11 2jqy s TYR 14 Cb -0.12 -0.52 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 2jqy s TYR 14 CO 0.11 -0.01 0.29 -2.00 -1.11 0.00 0.00 175.55 172.84 2jqy s GLU 15 N -0.48 3.28 -0.08 -0.62 2.12 -1.26 -2.51 118.70 119.14 2jqy s GLU 15 Ca 0.02 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.55 2jqy s GLU 15 Cb -0.05 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 2jqy s GLU 15 CO -0.00 0.44 -0.12 -1.50 -0.54 0.00 0.00 175.26 173.54 2jqy s ILE 16 N -1.97 3.25 0.72 -3.70 1.10 -1.26 -4.91 121.20 114.44 2jqy s ILE 16 Ca 0.34 -0.63 -0.01 0.00 -0.51 0.00 0.00 60.65 59.84 2jqy s ILE 16 Cb -0.09 -2.32 0.13 0.00 0.15 0.00 0.00 42.46 40.33 2jqy s ILE 16 CO 0.28 0.57 1.00 -1.61 -2.11 0.00 0.00 174.94 173.06 2jqy s GLU 17 N -0.42 1.65 -0.07 3.50 2.02 -1.26 -5.11 118.70 119.01 2jqy s GLU 17 Ca 0.05 -1.14 0.02 0.00 0.02 0.00 0.00 54.97 53.93 2jqy s GLU 17 Cb -0.12 -2.33 0.01 0.00 0.10 0.00 0.00 34.13 31.79 2jqy s GLU 17 CO 0.02 -1.47 -0.11 -0.80 0.02 0.00 0.00 175.26 172.92 2jqy s ASN 18 N -4.75 1.72 0.07 -0.19 0.01 -1.26 -5.12 114.94 105.43 2jqy s ASN 18 Ca 0.67 -0.28 -0.31 0.00 -0.71 0.00 0.00 52.86 52.22 2jqy s ASN 18 Cb -0.05 -0.80 -0.06 0.00 0.41 0.00 0.00 41.25 40.75 2jqy s ASN 18 CO 0.44 0.02 1.25 0.54 -1.51 0.00 0.00 177.10 177.85 2jqy s VAL 19 N 0.73 3.85 0.08 1.60 0.11 -1.26 -4.81 120.40 120.69 2jqy s VAL 19 Ca -0.14 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.24 2jqy s VAL 19 Cb -0.16 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 2jqy s VAL 19 CO 0.03 0.10 0.00 -0.62 -3.33 0.00 0.00 175.10 171.28 2jqy n GLU 20 N 3.99 0.00 -3.91 1.54 -0.58 -1.26 -5.08 120.64 115.34 2jqy n GLU 20 Ca 0.10 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.53 2jqy n GLU 20 Cb 0.45 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.17 2jqy n GLU 20 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2jqy s GLY 21 N -2.51 1.57 -0.54 0.62 0.00 -1.26 -5.07 107.32 100.13 2jqy s GLY 21 Ca 0.00 -2.12 -0.27 0.00 0.00 0.00 0.00 44.72 42.33 2jqy s GLY 21 CO 0.00 1.18 1.89 -0.47 0.00 0.00 0.00 173.10 175.70 2jqy s TYR 22 N 1.20 1.65 0.00 1.90 5.04 -1.26 -4.82 117.35 121.06 2jqy s TYR 22 Ca 0.09 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.54 2jqy s TYR 22 Cb -0.18 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.07 2jqy s TYR 22 CO -0.14 -2.46 0.00 0.41 -1.34 0.00 0.00 175.55 172.02 2jqy n GLY 23 N 5.66 2.31 3.89 8.97 0.00 -1.26 -5.16 105.19 119.60 2jqy n GLY 23 Ca 0.22 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 2jqy n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jqy s GLU 24 N 1.34 3.70 0.04 1.61 2.02 -1.26 -5.10 118.70 121.05 2jqy s GLU 24 Ca 0.00 0.08 -0.11 0.00 0.02 0.00 0.00 54.97 54.96 2jqy s GLU 24 Cb 0.00 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.52 2jqy s GLU 24 CO 0.00 0.36 0.24 -0.51 0.02 0.00 0.00 175.26 175.36 2jqy s ASP 25 N -2.54 -0.03 -0.10 -0.19 1.11 -1.26 -5.06 116.67 108.60 2jqy s ASP 25 Ca 0.44 -0.31 0.08 0.00 0.18 0.00 0.00 52.55 52.94 2jqy s ASP 25 Cb -0.11 0.32 -0.12 0.00 1.07 0.00 0.00 42.92 44.08 2jqy s ASP 25 CO 0.24 -0.59 0.02 0.23 1.18 0.00 0.00 175.17 176.25 2jqy n MET 26 N 0.60 2.18 -4.36 8.23 2.81 -1.26 -5.03 117.12 120.28 2jqy n MET 26 Ca -0.19 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.49 2jqy n MET 26 Cb 0.59 -1.26 -0.11 0.00 -0.71 0.00 0.00 33.22 31.74 2jqy n MET 26 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2jqy s ASP 27 N -4.32 2.85 0.17 7.83 2.15 -1.26 -4.75 116.67 119.35 2jqy s ASP 27 Ca -0.06 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 51.99 2jqy s ASP 27 Cb 0.03 -0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.47 2jqy s ASP 27 CO 0.40 -0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.96 2jqy n GLY 28 N -0.02 -4.77 0.61 2.66 0.00 -1.26 -4.97 105.19 97.44 2jqy n GLY 28 Ca -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2jqy n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jqy n LEU 29 N 1.06 -0.34 -3.92 0.99 -0.00 -1.26 -4.84 117.00 108.68 2jqy n LEU 29 Ca 0.00 0.16 -0.18 0.00 -0.00 0.00 0.00 56.01 56.00 2jqy n LEU 29 Cb 0.00 0.51 -0.15 0.00 -0.00 0.00 0.00 43.42 43.78 2jqy n LEU 29 CO 0.00 -0.08 -0.40 0.00 -0.00 0.00 0.00 177.39 176.90 2jqy s ALA 30 N -1.26 0.53 -0.39 1.96 0.00 -1.25 -4.84 121.76 116.50 2jqy s ALA 30 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 51.93 2jqy s ALA 30 Cb 0.00 -0.25 0.30 0.00 0.00 0.00 0.00 23.12 23.17 2jqy s ALA 30 CO 0.00 0.06 0.65 -1.91 0.00 0.00 0.00 175.76 174.55 2jqy n GLU 31 N 3.46 0.99 0.00 0.00 2.13 -1.26 -3.99 120.64 121.97 2jqy n GLU 31 Ca -0.19 -3.40 0.00 0.00 0.66 0.00 0.00 57.16 54.22 2jqy n GLU 31 Cb 0.54 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.73 2jqy n GLU 31 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2jqy n PRO 32 N 0.78 0.33 -3.50 5.31 -0.02 -1.26 -4.46 135.00 132.18 2jqy n PRO 32 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2jqy n PRO 32 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.01 2jqy n PRO 32 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jqy s SER 33 N -1.67 -0.43 0.05 2.55 0.01 -0.81 -4.46 113.70 108.95 2jqy s SER 33 Ca 0.00 0.63 -0.05 0.00 1.31 0.00 0.00 55.95 57.84 2jqy s SER 33 Cb 0.00 1.35 -0.05 0.00 0.21 0.00 0.00 66.02 67.53 2jqy s SER 33 CO 0.00 -0.09 0.29 0.68 0.41 0.00 0.00 173.24 174.52 2jqy s VAL 34 N 1.83 5.28 0.04 3.43 -7.23 -1.01 -1.03 120.40 121.70 2jqy s VAL 34 Ca -0.05 0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.16 2jqy s VAL 34 Cb -0.04 -3.60 -0.02 0.00 0.56 0.00 0.00 36.38 33.28 2jqy s VAL 34 CO -0.15 0.23 -0.05 -0.47 -0.31 0.00 0.00 175.10 174.35 2jqy s TYR 35 N -1.44 0.47 -0.12 2.82 5.04 0.28 -1.59 117.35 122.82 2jqy s TYR 35 Ca 0.33 -0.59 -0.13 0.00 -2.44 0.00 0.00 57.07 54.23 2jqy s TYR 35 Cb -0.13 -0.31 0.03 0.00 0.35 0.00 0.00 41.96 41.91 2jqy s TYR 35 CO 0.21 -0.17 0.36 0.12 -1.34 0.00 0.00 175.55 174.73 2jqy s PHE 36 N -1.78 -0.37 0.03 4.97 5.36 0.23 -2.21 117.98 124.21 2jqy s PHE 36 Ca -0.10 0.88 0.03 0.00 -0.96 0.00 0.00 56.93 56.78 2jqy s PHE 36 Cb -0.07 0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.72 2jqy s PHE 36 CO -0.02 -0.22 -0.09 1.21 -1.46 0.00 0.00 175.22 174.64 2jqy s ASN 37 N -0.02 1.05 -0.16 6.13 2.47 -0.21 0.37 114.94 124.57 2jqy s ASN 37 Ca -0.02 -0.43 -0.04 0.00 0.42 0.00 0.00 52.86 52.79 2jqy s ASN 37 Cb -0.03 -0.03 0.08 0.00 -1.45 0.00 0.00 41.25 39.82 2jqy s ASN 37 CO 0.01 -0.08 0.21 0.00 -3.72 0.00 0.00 177.10 173.52 2jqy s ALA 38 N -0.96 -0.27 -0.28 1.71 0.00 0.12 -2.85 121.76 119.23 2jqy s ALA 38 Ca -0.04 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 2jqy s ALA 38 Cb -0.08 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 2jqy s ALA 38 CO 0.01 -0.98 0.13 0.00 0.00 0.00 0.00 175.76 174.92 2jqy s ALA 39 N 2.33 3.28 -0.41 0.00 0.00 -1.14 0.11 121.76 125.92 2jqy s ALA 39 Ca 0.05 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2jqy s ALA 39 Cb -0.14 -2.29 0.14 0.00 0.00 0.00 0.00 23.12 20.83 2jqy s ALA 39 CO -0.10 -0.70 0.25 1.21 0.00 0.00 0.00 175.76 176.42 2jqy s ASN 40 N 1.64 3.17 1.83 0.00 3.84 -0.58 -1.68 114.94 123.16 2jqy s ASN 40 Ca 0.06 -2.53 0.00 0.00 0.21 0.00 0.00 52.86 50.59 2jqy s ASN 40 Cb -0.16 -0.73 0.00 0.00 -0.55 0.00 0.00 41.25 39.81 2jqy s ASN 40 CO 0.06 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.71 2jqy n GLY 41 N 3.62 3.38 1.33 1.21 0.00 -1.26 -2.11 105.19 111.36 2jqy n GLY 41 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2jqy n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqy n PRO 42 N 13.66 2.15 -3.61 1.61 -0.04 -1.26 -4.73 135.00 142.78 2jqy n PRO 42 Ca 0.00 -1.37 -0.25 0.00 -0.04 0.00 0.00 63.50 61.84 2jqy n PRO 42 Cb 0.00 -1.68 -0.17 0.00 -0.04 0.00 0.00 33.50 31.61 2jqy n PRO 42 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jqy s TRP 43 N -1.62 0.14 0.03 0.54 0.52 -0.90 -3.94 118.94 113.72 2jqy s TRP 43 Ca 0.25 -0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.16 2jqy s TRP 43 Cb 0.20 -0.65 -0.04 0.00 -1.15 0.00 0.00 33.47 31.83 2jqy s TRP 43 CO 0.06 -0.49 0.04 0.50 0.02 0.00 0.00 176.95 177.07 2jqy s ARG 44 N 2.16 2.84 -0.24 4.98 3.52 -1.00 -1.52 118.95 129.68 2jqy s ARG 44 Ca 0.03 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 55.02 2jqy s ARG 44 Cb -0.16 -2.71 0.05 0.00 -1.56 0.00 0.00 34.95 30.58 2jqy s ARG 44 CO -0.09 0.61 -0.11 0.42 -0.81 0.00 0.00 175.30 175.32 2jqy s ILE 45 N -1.21 1.98 -0.37 4.11 1.01 0.29 -2.82 121.20 124.19 2jqy s ILE 45 Ca 0.23 -1.44 -0.06 0.00 0.00 0.00 0.00 60.65 59.39 2jqy s ILE 45 Cb -0.12 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.33 2jqy s ILE 45 CO 0.15 0.02 0.15 0.00 0.00 0.00 0.00 174.94 175.26 2jqy s ALA 46 N 1.20 3.10 -0.19 9.38 0.00 0.72 0.15 121.76 136.12 2jqy s ALA 46 Ca -0.06 -2.01 -0.07 0.00 0.00 0.00 0.00 51.96 49.81 2jqy s ALA 46 Cb -0.19 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2jqy s ALA 46 CO -0.06 -1.50 0.06 -0.51 0.00 0.00 0.00 175.76 173.75 2jqy s LEU 47 N 1.34 3.72 -0.03 0.00 2.01 0.16 -1.21 118.68 124.66 2jqy s LEU 47 Ca 0.01 0.02 0.01 0.00 0.01 0.00 0.00 54.13 54.18 2jqy s LEU 47 Cb -0.21 -1.95 0.02 0.00 0.01 0.00 0.00 46.19 44.05 2jqy s LEU 47 CO 0.01 0.13 -0.04 0.00 1.01 0.00 0.00 176.35 177.46 2jqy s ALA 48 N 0.63 0.59 -0.20 4.21 0.00 -0.55 0.74 121.76 127.17 2jqy s ALA 48 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.94 2jqy s ALA 48 Cb -0.13 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.69 2jqy s ALA 48 CO 0.02 0.02 -0.14 0.71 0.00 0.00 0.00 175.76 176.37 2jqy s TYR 49 N 0.69 2.71 -0.09 0.00 2.02 -0.62 0.49 117.35 122.56 2jqy s TYR 49 Ca -0.09 -1.76 0.02 0.00 -0.37 0.00 0.00 57.07 54.87 2jqy s TYR 49 Cb -0.12 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2jqy s TYR 49 CO -0.00 -0.79 -0.14 -0.47 -1.57 0.00 0.00 175.55 172.58 2jqy s TYR 50 N 1.30 2.75 0.05 2.71 6.14 -1.12 -2.42 117.35 126.76 2jqy s TYR 50 Ca -0.01 -0.43 -0.04 0.00 0.64 0.00 0.00 57.07 57.23 2jqy s TYR 50 Cb -0.16 -1.74 -0.02 0.00 0.42 0.00 0.00 41.96 40.46 2jqy s TYR 50 CO -0.09 -0.04 0.04 -0.65 0.64 0.00 0.00 175.55 175.46 2jqy s GLN 51 N -0.15 0.61 -0.01 4.97 -1.52 -1.26 -2.24 119.66 120.05 2jqy s GLN 51 Ca -0.01 -0.98 0.04 0.00 -1.95 0.00 0.00 55.36 52.46 2jqy s GLN 51 Cb -0.13 0.23 -0.01 0.00 -0.22 0.00 0.00 33.01 32.88 2jqy s GLN 51 CO 0.03 -0.14 -0.12 -1.83 -0.25 0.00 0.00 175.29 172.98 2jqy s GLU 52 N -3.28 1.03 0.00 2.91 -1.05 -1.26 -4.59 118.70 112.46 2jqy s GLU 52 Ca 0.01 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 2jqy s GLU 52 Cb 0.03 -0.99 0.00 0.00 -0.44 0.00 0.00 34.13 32.73 2jqy s GLU 52 CO -0.08 0.25 0.00 0.41 0.95 0.00 0.00 175.26 176.80 2jqy n GLY 53 N 2.83 3.59 1.01 -3.83 0.00 -1.26 -4.64 105.19 102.89 2jqy n GLY 53 Ca -0.14 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.25 2jqy n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqy n PRO 54 N -1.98 2.16 -3.18 1.61 -0.04 -1.26 -3.95 135.00 128.36 2jqy n PRO 54 Ca 0.00 -1.02 -0.10 0.00 -0.04 0.00 0.00 63.50 62.34 2jqy n PRO 54 Cb 0.00 -1.70 0.05 0.00 -0.04 0.00 0.00 33.50 31.81 2jqy n PRO 54 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jqy n VAL 55 N 0.17 -9.46 -4.10 0.52 0.31 -1.26 -4.84 118.33 99.66 2jqy n VAL 55 Ca 0.10 -1.01 -0.14 0.00 -0.01 0.00 0.00 64.34 63.28 2jqy n VAL 55 Cb 0.60 -6.64 -0.13 0.00 -0.91 0.00 0.00 33.84 26.76 2jqy n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2jqy s ASP 56 N -3.27 0.62 -0.17 4.52 1.11 -1.26 -5.15 116.67 113.07 2jqy s ASP 56 Ca 0.32 -0.23 -0.09 0.00 0.18 0.00 0.00 52.55 52.73 2jqy s ASP 56 Cb -0.04 -0.03 -0.05 0.00 1.07 0.00 0.00 42.92 43.88 2jqy s ASP 56 CO 0.74 -0.03 0.12 -0.72 1.18 0.00 0.00 175.17 176.45 2jqy s TYR 57 N -0.53 3.43 -0.28 4.23 1.13 -1.26 -5.00 117.35 119.08 2jqy s TYR 57 Ca -0.02 0.35 -0.19 0.00 -1.41 0.00 0.00 57.07 55.79 2jqy s TYR 57 Cb -0.04 -2.08 0.10 0.00 -1.10 0.00 0.00 41.96 38.84 2jqy s TYR 57 CO -0.00 0.40 0.83 0.45 -2.51 0.00 0.00 175.55 174.72 2jqy s SER 58 N -0.06 -0.71 -0.12 -0.18 0.15 -1.26 -5.17 113.70 106.35 2jqy s SER 58 Ca 0.09 1.20 -0.08 0.00 0.70 0.00 0.00 55.95 57.86 2jqy s SER 58 Cb -0.11 1.27 0.04 0.00 -1.71 0.00 0.00 66.02 65.51 2jqy s SER 58 CO 0.00 -0.19 0.31 0.00 1.20 0.00 0.00 173.24 174.55 2jqy s ALA 59 N 1.11 -0.75 0.00 5.45 0.00 -1.26 -4.84 121.76 121.47 2jqy s ALA 59 Ca -0.06 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2jqy s ALA 59 Cb -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2jqy s ALA 59 CO -0.13 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2jqy n GLY 60 N 3.76 2.43 2.73 0.00 0.00 -1.26 -5.04 105.19 107.82 2jqy n GLY 60 Ca -0.20 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 2jqy n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jqy s LYS 61 N 0.00 0.82 0.58 1.61 2.20 -1.26 -4.97 119.74 118.72 2jqy s LYS 61 Ca 0.00 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.50 2jqy s LYS 61 Cb 0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 2jqy s LYS 61 CO 0.00 -1.27 0.00 -2.13 -0.36 0.00 0.00 175.35 171.59 2jqy n ARG 62 N 3.67 -3.30 -3.62 4.03 0.63 -1.26 -5.06 116.66 111.75 2jqy n ARG 62 Ca 0.17 2.62 -0.04 0.00 -0.92 0.00 0.00 57.85 59.69 2jqy n ARG 62 Cb 0.49 -3.90 -0.02 0.00 0.45 0.00 0.00 32.46 29.49 2jqy n ARG 62 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2jqy s GLY 63 N -7.29 -0.24 -0.58 5.14 0.00 -1.26 -4.75 107.32 98.34 2jqy s GLY 63 Ca 0.00 1.78 -0.17 0.00 0.00 0.00 0.00 44.72 46.33 2jqy s GLY 63 CO 0.00 0.60 0.61 -1.08 0.00 0.00 0.00 173.10 173.23 2jqy s THR 64 N -2.20 5.05 -0.14 0.90 -1.32 -1.26 -4.98 115.64 111.69 2jqy s THR 64 Ca 0.10 -1.32 -0.11 0.00 -1.21 0.00 0.00 61.69 59.15 2jqy s THR 64 Cb -0.01 -4.42 0.04 0.00 -1.51 0.00 0.00 72.50 66.61 2jqy s THR 64 CO -0.04 -1.00 0.36 0.26 -2.21 0.00 0.00 174.62 172.00 2jqy s TRP 65 N 2.03 -0.45 -0.30 9.09 0.52 -1.26 -4.84 118.94 123.73 2jqy s TRP 65 Ca 0.08 1.04 -0.00 0.00 0.02 0.00 0.00 56.10 57.23 2jqy s TRP 65 Cb -0.26 0.16 0.19 0.00 -1.15 0.00 0.00 33.47 32.41 2jqy s TRP 65 CO 0.04 -0.24 0.63 -0.06 0.02 0.00 0.00 176.95 177.34 2jqy s PHE 66 N 0.69 -1.60 -0.05 -1.98 0.08 -1.26 -3.81 117.98 110.06 2jqy s PHE 66 Ca -0.04 1.47 -0.30 0.00 0.12 0.00 0.00 56.93 58.18 2jqy s PHE 66 Cb -0.05 0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 42.84 2jqy s PHE 66 CO -0.05 -0.89 1.18 0.34 -0.10 0.00 0.00 175.22 175.70 2jqy s ASP 67 N 2.86 7.08 -0.42 1.36 -1.08 -1.26 -4.48 116.67 120.72 2jqy s ASP 67 Ca 0.17 1.81 0.10 0.00 -0.52 0.00 0.00 52.55 54.11 2jqy s ASP 67 Cb -0.13 -2.56 0.41 0.00 -1.46 0.00 0.00 42.92 39.18 2jqy s ASP 67 CO -0.22 -0.55 1.00 0.54 0.52 0.00 0.00 175.17 176.45 2jqy n ARG 68 N 5.03 2.46 -2.43 4.34 1.74 -0.95 -1.20 116.66 125.64 2jqy n ARG 68 Ca 0.10 -4.07 -0.42 0.00 -0.77 0.00 0.00 57.85 52.69 2jqy n ARG 68 Cb 0.46 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 2jqy n ARG 68 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2jqy s PRO 69 N -3.29 4.38 0.04 5.56 0.04 -1.21 -2.80 135.00 137.72 2jqy s PRO 69 Ca 0.41 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.23 2jqy s PRO 69 Cb 0.39 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2jqy s PRO 69 CO -0.10 -0.38 -0.10 -1.21 0.04 0.00 0.00 177.00 175.26 2jqy s GLU 70 N 1.76 2.36 -0.06 4.56 2.02 0.18 -3.60 118.70 125.92 2jqy s GLU 70 Ca 0.57 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.70 2jqy s GLU 70 Cb -0.27 -2.39 0.03 0.00 0.10 0.00 0.00 34.13 31.60 2jqy s GLU 70 CO 0.25 0.57 0.02 -0.51 0.02 0.00 0.00 175.26 175.61 2jqy s LEU 71 N -1.61 0.48 0.02 1.80 1.02 -1.12 -1.48 118.68 117.79 2jqy s LEU 71 Ca 0.18 -0.03 0.07 0.00 0.02 0.00 0.00 54.13 54.36 2jqy s LEU 71 Cb -0.11 -0.35 -0.02 0.00 0.02 0.00 0.00 46.19 45.73 2jqy s LEU 71 CO 0.09 -0.21 -0.21 -0.70 0.02 0.00 0.00 176.35 175.34 2jqy s GLU 72 N 1.99 1.53 0.06 1.70 2.56 -0.35 0.68 118.70 126.86 2jqy s GLU 72 Ca 0.04 -0.88 0.04 0.00 0.00 0.00 0.00 54.97 54.18 2jqy s GLU 72 Cb -0.12 -1.58 -0.03 0.00 2.00 0.00 0.00 34.13 34.40 2jqy s GLU 72 CO -0.04 0.42 -0.13 0.08 -0.56 0.00 0.00 175.26 175.03 2jqy s VAL 73 N -0.68 0.97 -0.06 3.70 1.01 0.35 -0.20 120.40 125.48 2jqy s VAL 73 Ca 0.08 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 60.96 2jqy s VAL 73 Cb -0.09 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 2jqy s VAL 73 CO 0.01 -0.19 -0.23 -1.00 0.00 0.00 0.00 175.10 173.68 2jqy s HIS 74 N -1.16 2.50 -0.42 5.22 3.76 -1.13 -0.22 115.29 123.84 2jqy s HIS 74 Ca -0.03 -0.67 0.02 0.00 -0.15 0.00 0.00 55.06 54.23 2jqy s HIS 74 Cb -0.09 -1.62 0.15 0.00 1.11 0.00 0.00 32.58 32.12 2jqy s HIS 74 CO 0.02 -0.18 0.26 -0.47 -0.85 0.00 0.00 174.74 173.52 2jqy s TYR 75 N -0.16 1.42 0.17 1.40 5.04 -0.93 -2.36 117.35 121.92 2jqy s TYR 75 Ca -0.03 -2.15 -0.27 0.00 -2.44 0.00 0.00 57.07 52.17 2jqy s TYR 75 Cb -0.14 -1.37 -0.08 0.00 0.35 0.00 0.00 41.96 40.73 2jqy s TYR 75 CO 0.04 -0.79 0.85 -1.14 -1.34 0.00 0.00 175.55 173.16 2jqy s GLN 76 N 0.45 4.67 -0.21 4.97 0.74 -1.25 -2.94 119.66 126.09 2jqy s GLN 76 Ca 0.21 1.28 -0.16 0.00 0.05 0.00 0.00 55.36 56.75 2jqy s GLN 76 Cb -0.17 -3.29 -0.09 0.00 1.10 0.00 0.00 33.01 30.56 2jqy s GLN 76 CO -0.05 0.49 -0.27 0.34 -0.55 0.00 0.00 175.29 175.25 2jqy n PHE 77 N 1.82 0.24 -3.97 1.67 -0.00 -0.62 -4.86 117.46 111.75 2jqy n PHE 77 Ca -0.03 0.10 -0.23 0.00 -0.00 0.00 0.00 57.45 57.29 2jqy n PHE 77 Cb 0.48 -0.76 -0.17 0.00 -0.00 0.00 0.00 39.48 39.03 2jqy n PHE 77 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2jqy s LEU 78 N -7.82 1.00 -0.65 -2.13 2.96 -1.25 -5.03 118.68 105.76 2jqy s LEU 78 Ca -0.30 -0.15 -0.20 0.00 -0.22 0.00 0.00 54.13 53.26 2jqy s LEU 78 Cb 0.08 -0.54 0.10 0.00 0.50 0.00 0.00 46.19 46.33 2jqy s LEU 78 CO 0.44 -0.12 0.81 -1.61 -1.32 0.00 0.00 176.35 174.54 2jqy s GLU 79 N 1.51 3.13 -0.19 1.98 8.01 -1.26 -2.85 118.70 129.02 2jqy s GLU 79 Ca -0.01 -1.28 -0.07 0.00 0.01 0.00 0.00 54.97 53.62 2jqy s GLU 79 Cb -0.13 -4.32 0.08 0.00 -4.31 0.00 0.00 34.13 25.45 2jqy s GLU 79 CO -0.04 -1.62 0.41 -0.80 0.01 0.00 0.00 175.26 173.22 2jqy s ASN 80 N 3.59 -0.29 0.63 -0.19 0.01 -1.26 -4.99 114.94 112.45 2jqy s ASN 80 Ca 0.16 0.96 0.35 0.00 -0.71 0.00 0.00 52.86 53.62 2jqy s ASN 80 Cb -0.20 1.21 1.99 0.00 0.41 0.00 0.00 41.25 44.66 2jqy s ASN 80 CO 0.05 -0.22 2.22 -0.78 -1.51 0.00 0.00 177.10 176.86 2jqy h ASP 81 N 7.96 0.00 0.51 -1.22 1.82 -1.93 0.96 116.42 124.51 2jqy h ASP 81 Ca -0.20 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.19 2jqy h ASP 81 Cb 1.12 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.09 2jqy h ASP 81 CO 0.15 0.00 -1.68 0.47 -1.61 0.00 0.00 179.24 176.57 2jqy n ASP 82 N -3.45 0.78 -3.01 2.28 9.92 -1.26 -3.18 116.55 118.63 2jqy n ASP 82 Ca -0.02 0.36 -0.14 0.00 -0.53 0.00 0.00 54.79 54.47 2jqy n ASP 82 Cb 0.17 0.13 -0.03 0.00 -0.64 0.00 0.00 41.12 40.74 2jqy n ASP 82 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2jqy n PHE 83 N -2.96 -2.62 -3.98 1.24 3.72 -0.29 -2.84 117.46 109.74 2jqy n PHE 83 Ca -0.16 -2.18 -0.30 0.00 -0.05 0.00 0.00 57.45 54.76 2jqy n PHE 83 Cb 0.99 0.97 -0.05 0.00 -0.94 0.00 0.00 39.48 40.45 2jqy n PHE 83 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jqy s SER 84 N 0.38 6.02 -0.15 4.37 0.15 0.18 -4.00 113.70 120.65 2jqy s SER 84 Ca 0.31 0.14 -0.05 0.00 0.70 0.00 0.00 55.95 57.05 2jqy s SER 84 Cb 0.03 -1.76 0.07 0.00 -1.71 0.00 0.00 66.02 62.65 2jqy s SER 84 CO -0.12 0.15 0.31 -0.36 1.20 0.00 0.00 173.24 174.43 2jqy s PHE 85 N -1.51 -0.55 0.01 3.44 0.08 -1.13 -1.35 117.98 116.97 2jqy s PHE 85 Ca 0.33 1.14 -0.07 0.00 0.12 0.00 0.00 56.93 58.45 2jqy s PHE 85 Cb -0.12 0.07 -0.00 0.00 -0.57 0.00 0.00 43.02 42.40 2jqy s PHE 85 CO 0.26 -0.40 0.13 0.20 -0.10 0.00 0.00 175.22 175.30 2jqy s GLY 86 N 2.48 0.07 -0.10 4.36 0.00 -0.76 -1.59 107.32 111.78 2jqy s GLY 86 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 2jqy s GLY 86 CO -0.10 -0.35 -0.06 0.48 0.00 0.00 0.00 173.10 173.07 2jqy s LEU 87 N -1.52 1.06 -0.49 0.66 2.34 -1.15 0.65 118.68 120.24 2jqy s LEU 87 Ca -0.13 -0.25 -0.19 0.00 0.06 0.00 0.00 54.13 53.61 2jqy s LEU 87 Cb -0.07 -0.75 0.05 0.00 -0.56 0.00 0.00 46.19 44.86 2jqy s LEU 87 CO 0.00 -0.13 0.59 -0.89 -1.06 0.00 0.00 176.35 174.86 2jqy s THR 88 N 1.74 4.92 -0.53 5.48 2.01 -1.01 -2.20 115.64 126.05 2jqy s THR 88 Ca 0.05 -0.44 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 2jqy s THR 88 Cb -0.13 -4.25 0.05 0.00 0.01 0.00 0.00 72.50 68.19 2jqy s THR 88 CO -0.07 -0.72 0.77 -0.83 -0.69 0.00 0.00 174.62 173.07 2jqy s GLY 89 N 2.50 1.61 0.04 4.40 0.00 0.69 -1.02 107.32 115.55 2jqy s GLY 89 Ca 0.15 -1.51 0.02 0.00 0.00 0.00 0.00 44.72 43.39 2jqy s GLY 89 CO 0.13 1.74 0.03 -0.32 0.00 0.00 0.00 173.10 174.68 2jqy s GLY 90 N 2.76 1.95 -0.21 0.20 0.00 0.20 -0.49 107.32 111.72 2jqy s GLY 90 Ca 0.22 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.95 2jqy s GLY 90 CO 0.15 -0.93 -0.10 -1.36 0.00 0.00 0.00 173.10 170.87 2jqy s PHE 91 N -1.24 2.50 -0.40 1.90 0.08 0.21 -1.41 117.98 119.62 2jqy s PHE 91 Ca 0.24 -1.68 -0.19 0.00 0.12 0.00 0.00 56.93 55.42 2jqy s PHE 91 Cb -0.12 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2jqy s PHE 91 CO 0.16 -0.76 0.54 1.03 -0.10 0.00 0.00 175.22 176.09 2jqy s ARG 92 N 1.37 3.36 -0.23 0.44 0.52 -0.87 -2.78 118.95 120.75 2jqy s ARG 92 Ca -0.02 -0.40 -0.02 0.00 -0.52 0.00 0.00 55.73 54.76 2jqy s ARG 92 Cb -0.17 -3.90 0.07 0.00 0.52 0.00 0.00 34.95 31.47 2jqy s ARG 92 CO -0.08 -0.83 0.05 1.21 0.02 0.00 0.00 175.30 175.67 2jqy s ASN 93 N 1.86 3.31 -0.16 0.23 3.84 -1.24 -1.06 114.94 121.73 2jqy s ASN 93 Ca 0.18 -1.09 0.00 0.00 0.21 0.00 0.00 52.86 52.17 2jqy s ASN 93 Cb -0.15 -0.69 0.03 0.00 -0.55 0.00 0.00 41.25 39.88 2jqy s ASN 93 CO 0.15 -0.34 -0.12 -0.72 -2.79 0.00 0.00 177.10 173.29 2jqy s TYR 94 N 1.78 2.12 1.34 0.43 1.13 -1.15 -3.35 117.35 119.64 2jqy s TYR 94 Ca 0.02 -1.24 -0.22 0.00 -1.41 0.00 0.00 57.07 54.22 2jqy s TYR 94 Cb -0.17 -1.55 0.34 0.00 -1.10 0.00 0.00 41.96 39.48 2jqy s TYR 94 CO -0.14 -0.67 1.01 0.20 -2.51 0.00 0.00 175.55 173.45 2jqy s GLY 95 N 1.50 1.49 -0.31 5.49 0.00 -0.34 -2.11 107.32 113.05 2jqy s GLY 95 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2jqy s GLY 95 CO -0.10 0.04 0.37 -0.19 0.00 0.00 0.00 173.10 173.23 2jqy s TYR 96 N -2.62 -0.74 -0.24 1.90 1.51 0.30 -4.25 117.35 113.23 2jqy s TYR 96 Ca 0.70 -0.03 -0.29 0.00 -1.01 0.00 0.00 57.07 56.44 2jqy s TYR 96 Cb -0.10 -0.29 0.01 0.00 -0.11 0.00 0.00 41.96 41.47 2jqy s TYR 96 CO 0.57 -0.97 1.04 -1.58 -1.11 0.00 0.00 175.55 173.49 2jqy s HIS 97 N 2.29 3.32 -0.05 2.71 2.46 -1.25 -2.38 115.29 122.39 2jqy s HIS 97 Ca 0.11 1.43 -0.25 0.00 0.47 0.00 0.00 55.06 56.82 2jqy s HIS 97 Cb -0.13 -3.30 0.05 0.00 -0.13 0.00 0.00 32.58 29.07 2jqy s HIS 97 CO -0.26 -0.50 0.55 1.52 -2.47 0.00 0.00 174.74 173.57 2jqy s TYR 98 N 3.23 -0.50 0.49 3.88 -0.85 -1.26 -4.84 117.35 117.50 2jqy s TYR 98 Ca 0.44 0.86 0.00 0.00 -0.52 0.00 0.00 57.07 57.85 2jqy s TYR 98 Cb -0.15 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.49 2jqy s TYR 98 CO 0.07 -0.52 0.00 0.28 -1.52 0.00 0.00 175.55 173.86 2jqy n VAL 99 N 1.12 -0.93 0.15 -3.49 0.31 -1.26 -4.29 118.33 109.95 2jqy n VAL 99 Ca -0.20 0.80 -0.12 0.00 -0.01 0.00 0.00 64.34 64.81 2jqy n VAL 99 Cb 0.57 -1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 2jqy n VAL 99 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2jqy h ASP 100 N -0.97 -0.36 -2.96 4.52 3.58 -2.00 -3.39 116.42 114.85 2jqy h ASP 100 Ca -0.14 -0.19 -0.62 0.00 0.42 0.00 0.00 57.03 56.51 2jqy h ASP 100 Cb 1.04 0.09 -0.41 0.00 1.72 0.00 0.00 39.33 41.77 2jqy h ASP 100 CO 0.05 0.06 -0.63 -1.84 -2.88 0.00 0.00 179.24 174.01 2jqy n GLU 101 N -5.10 1.65 -0.03 0.28 0.28 -1.26 -4.93 120.64 111.53 2jqy n GLU 101 Ca -0.09 -4.33 -0.13 0.00 -0.16 0.00 0.00 57.16 52.45 2jqy n GLU 101 Cb 0.27 -2.20 -0.01 0.00 1.43 0.00 0.00 31.44 30.93 2jqy n GLU 101 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 2jqy h PRO 102 N 5.36 0.72 0.00 3.44 0.13 -1.77 -3.49 132.00 136.40 2jqy h PRO 102 Ca 0.17 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2jqy h PRO 102 Cb 0.77 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2jqy h PRO 102 CO 0.68 1.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.97 2jqy n GLY 103 N 0.41 -1.57 0.12 1.56 0.00 -1.26 -4.97 105.19 99.47 2jqy n GLY 103 Ca -0.04 0.63 -0.16 0.00 0.00 0.00 0.00 46.02 46.44 2jqy n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqy n LYS 104 N 0.00 0.68 0.00 1.61 4.81 -1.26 -5.04 118.16 118.96 2jqy n LYS 104 Ca 0.00 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2jqy n LYS 104 Cb 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.45 2jqy n LYS 104 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jqy n ASP 105 N -3.19 0.00 -2.09 3.14 9.92 -1.26 -5.17 116.55 117.90 2jqy n ASP 105 Ca -0.36 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 53.80 2jqy n ASP 105 Cb 1.05 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.49 2jqy n ASP 105 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2jqy n THR 106 N -0.64 0.00 -4.03 -3.53 -2.24 -1.26 -4.72 114.28 97.86 2jqy n THR 106 Ca 0.00 -1.15 -0.34 0.00 -2.27 0.00 0.00 64.05 60.29 2jqy n THR 106 Cb 0.00 0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 68.67 2jqy n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jqy s ALA 107 N -2.59 2.54 -0.21 6.98 0.00 -1.00 -4.73 121.76 122.74 2jqy s ALA 107 Ca 0.19 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 2jqy s ALA 107 Cb 0.01 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2jqy s ALA 107 CO 0.13 -0.41 0.05 -0.80 0.00 0.00 0.00 175.76 174.73 2jqy s ASN 108 N 1.36 5.23 -0.15 0.00 0.01 -1.26 0.11 114.94 120.25 2jqy s ASN 108 Ca 0.05 -0.10 -0.16 0.00 -0.71 0.00 0.00 52.86 51.94 2jqy s ASN 108 Cb -0.14 -1.91 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 2jqy s ASN 108 CO -0.09 0.06 0.37 -0.04 -1.51 0.00 0.00 177.10 175.90 2jqy s MET 109 N 1.03 4.29 0.14 -0.60 -1.94 -0.90 -4.72 119.30 116.60 2jqy s MET 109 Ca 0.03 0.24 -0.05 0.00 -1.71 0.00 0.00 55.69 54.20 2jqy s MET 109 Cb -0.14 -3.44 -0.06 0.00 2.01 0.00 0.00 34.83 33.20 2jqy s MET 109 CO 0.03 0.19 0.38 -0.65 -0.01 0.00 0.00 175.02 174.96 2jqy s GLN 110 N 0.59 3.64 -0.34 2.03 -0.21 0.48 -2.94 119.66 122.90 2jqy s GLN 110 Ca 0.20 -0.05 0.04 0.00 0.02 0.00 0.00 55.36 55.57 2jqy s GLN 110 Cb -0.14 -2.85 0.17 0.00 1.00 0.00 0.00 33.01 31.18 2jqy s GLN 110 CO 0.07 0.47 0.46 0.50 -2.12 0.00 0.00 175.29 174.66 2jqy s ARG 111 N -2.60 0.58 0.19 2.91 3.52 -0.22 -0.96 118.95 122.37 2jqy s ARG 111 Ca 0.41 -0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.47 2jqy s ARG 111 Cb -0.12 -0.31 -0.08 0.00 -1.56 0.00 0.00 34.95 32.87 2jqy s ARG 111 CO 0.24 -1.12 1.24 -0.46 -0.81 0.00 0.00 175.30 174.39 2jqy s TRP 112 N 2.07 3.36 -0.00 5.12 -0.11 0.14 -2.06 118.94 127.46 2jqy s TRP 112 Ca 0.13 1.34 -0.03 0.00 1.22 0.00 0.00 56.10 58.76 2jqy s TRP 112 Cb -0.11 -3.50 -0.00 0.00 -1.50 0.00 0.00 33.47 28.35 2jqy s TRP 112 CO -0.17 -1.47 0.05 -1.59 -4.62 0.00 0.00 176.95 169.15 2jqy s LYS 113 N -0.16 0.28 0.01 5.86 -2.85 -0.50 -0.47 119.74 121.92 2jqy s LYS 113 Ca 0.54 -0.31 0.01 0.00 -1.00 0.00 0.00 55.97 55.21 2jqy s LYS 113 Cb -0.34 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 35.53 2jqy s LYS 113 CO 0.37 -0.06 -0.03 -1.50 0.10 0.00 0.00 175.35 174.23 2jqy s ILE 114 N -0.93 0.22 -0.54 3.79 1.10 -1.13 -0.63 121.20 123.08 2jqy s ILE 114 Ca -0.10 -0.41 0.07 0.00 -0.51 0.00 0.00 60.65 59.70 2jqy s ILE 114 Cb -0.06 -0.25 0.28 0.00 0.15 0.00 0.00 42.46 42.59 2jqy s ILE 114 CO 0.00 -0.13 0.75 0.00 -2.11 0.00 0.00 174.94 173.46 2jqy n ALA 115 N 2.50 3.66 -2.34 1.50 0.00 -0.18 -2.69 120.51 122.95 2jqy n ALA 115 Ca -0.16 -4.33 -0.36 0.00 0.00 0.00 0.00 53.44 48.59 2jqy n ALA 115 Cb 0.58 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 2jqy n ALA 115 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jqy s PRO 116 N -2.47 3.26 0.63 0.00 0.04 -1.25 -2.41 135.00 132.79 2jqy s PRO 116 Ca 0.41 -1.39 -0.00 0.00 0.04 0.00 0.00 61.00 60.06 2jqy s PRO 116 Cb 0.21 -5.36 0.07 0.00 0.04 0.00 0.00 34.50 29.47 2jqy s PRO 116 CO -0.07 -2.97 0.88 0.16 0.04 0.00 0.00 177.00 175.05 2jqy s ASP 117 N 5.55 4.86 -0.24 6.66 1.47 0.21 -4.25 116.67 130.93 2jqy s ASP 117 Ca 0.60 -0.12 -0.10 0.00 1.18 0.00 0.00 52.55 54.11 2jqy s ASP 117 Cb 0.01 -0.54 0.10 0.00 -0.34 0.00 0.00 42.92 42.15 2jqy s ASP 117 CO 0.06 -1.48 0.54 -1.66 0.68 0.00 0.00 175.17 173.31 2jqy s TRP 118 N -2.96 -1.00 -0.14 2.11 1.48 -0.53 -1.83 118.94 116.08 2jqy s TRP 118 Ca 0.61 1.86 -0.08 0.00 -1.06 0.00 0.00 56.10 57.43 2jqy s TRP 118 Cb -0.08 0.52 -0.04 0.00 -1.16 0.00 0.00 33.47 32.71 2jqy s TRP 118 CO 0.41 -0.53 0.14 0.34 -4.06 0.00 0.00 176.95 173.25 2jqy s ASP 119 N 2.39 6.36 -0.08 -2.66 -1.08 -0.46 -2.44 116.67 118.71 2jqy s ASP 119 Ca -0.06 0.42 -0.03 0.00 -0.52 0.00 0.00 52.55 52.37 2jqy s ASP 119 Cb -0.10 -2.08 0.04 0.00 -1.46 0.00 0.00 42.92 39.31 2jqy s ASP 119 CO -0.16 0.35 0.06 0.68 0.52 0.00 0.00 175.17 176.63 2jqy s VAL 120 N -0.69 -0.07 -0.15 1.11 -7.23 -0.53 -0.97 120.40 111.86 2jqy s VAL 120 Ca 0.14 0.25 -0.08 0.00 -1.81 0.00 0.00 61.98 60.47 2jqy s VAL 120 Cb -0.12 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 2jqy s VAL 120 CO 0.03 0.06 0.12 -0.75 -0.31 0.00 0.00 175.10 174.25 2jqy s LYS 121 N 2.15 3.73 -0.05 4.82 2.20 -1.13 -2.16 119.74 129.29 2jqy s LYS 121 Ca 0.04 -0.20 0.04 0.00 -0.36 0.00 0.00 55.97 55.49 2jqy s LYS 121 Cb -0.13 -3.25 -0.06 0.00 -1.51 0.00 0.00 37.83 32.88 2jqy s LYS 121 CO -0.05 0.56 0.00 1.47 -0.36 0.00 0.00 175.35 176.97 2jqy n LEU 122 N 2.69 0.49 -4.05 5.43 -0.00 -1.25 -4.80 117.00 115.51 2jqy n LEU 122 Ca -0.18 -0.01 -0.09 0.00 -0.00 0.00 0.00 56.01 55.74 2jqy n LEU 122 Cb 0.54 0.06 -0.09 0.00 -0.00 0.00 0.00 43.42 43.93 2jqy n LEU 122 CO 0.33 0.20 -0.23 -0.89 -0.00 0.00 0.00 177.39 176.80 2jqy s THR 123 N -2.12 0.14 -1.17 1.47 2.01 -1.26 -5.04 115.64 109.67 2jqy s THR 123 Ca -0.03 -1.67 -0.09 0.00 0.31 0.00 0.00 61.69 60.20 2jqy s THR 123 Cb 0.02 -1.74 -0.07 0.00 0.01 0.00 0.00 72.50 70.72 2jqy s THR 123 CO 0.18 -0.62 2.37 -0.67 -0.69 0.00 0.00 174.62 175.19 2jqy n ASP 124 N -0.05 5.81 0.00 3.53 2.03 -1.26 -3.18 116.55 123.43 2jqy n ASP 124 Ca -0.10 -2.48 0.00 0.00 0.52 0.00 0.00 54.79 52.73 2jqy n ASP 124 Cb 0.63 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 2jqy n ASP 124 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jqy n ASP 125 N 4.52 0.00 -4.56 1.67 2.03 -1.26 -5.03 116.55 113.91 2jqy n ASP 125 Ca 0.57 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.45 2jqy n ASP 125 Cb 0.21 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.57 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jqy s LEU 126 N 0.00 3.99 -0.27 -2.67 1.43 -1.19 -3.86 118.68 116.11 2jqy s LEU 126 Ca 0.00 0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2jqy s LEU 126 Cb 0.00 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 43.04 2jqy s LEU 126 CO 0.00 -1.07 -0.01 -0.13 0.23 0.00 0.00 176.35 175.38 2jqy s ARG 127 N 3.80 2.94 -0.01 1.70 0.52 -1.11 -3.74 118.95 123.05 2jqy s ARG 127 Ca 0.37 -0.93 -0.18 0.00 -0.52 0.00 0.00 55.73 54.48 2jqy s ARG 127 Cb -0.10 -3.13 -0.06 0.00 0.52 0.00 0.00 34.95 32.18 2jqy s ARG 127 CO 0.26 -0.41 0.50 -0.06 0.02 0.00 0.00 175.30 175.62 2jqy s PHE 128 N 1.39 3.69 -0.12 -0.53 0.40 -0.92 -1.62 117.98 120.27 2jqy s PHE 128 Ca 0.01 1.09 -0.04 0.00 -0.60 0.00 0.00 56.93 57.39 2jqy s PHE 128 Cb -0.17 -2.47 0.06 0.00 0.51 0.00 0.00 43.02 40.95 2jqy s PHE 128 CO -0.02 0.46 0.21 1.21 0.70 0.00 0.00 175.22 177.79 2jqy s ASN 129 N -0.52 0.65 -0.18 1.36 3.84 -0.70 -1.46 114.94 117.93 2jqy s ASN 129 Ca 0.27 0.38 0.01 0.00 0.21 0.00 0.00 52.86 53.73 2jqy s ASN 129 Cb -0.17 0.47 0.01 0.00 -0.55 0.00 0.00 41.25 41.01 2jqy s ASN 129 CO 0.15 -0.25 -0.18 -0.83 -2.79 0.00 0.00 177.10 173.20 2jqy s GLY 130 N 2.35 1.42 0.49 1.21 0.00 -1.02 -2.26 107.32 109.51 2jqy s GLY 130 Ca 0.03 -1.18 0.08 0.00 0.00 0.00 0.00 44.72 43.64 2jqy s GLY 130 CO -0.08 0.23 0.51 -0.98 0.00 0.00 0.00 173.10 172.79 2jqy s TRP 131 N 1.20 2.13 -0.30 1.90 0.52 -1.10 -1.45 118.94 121.84 2jqy s TRP 131 Ca 0.02 -0.62 0.00 0.00 0.02 0.00 0.00 56.10 55.52 2jqy s TRP 131 Cb -0.14 -2.15 0.14 0.00 -1.15 0.00 0.00 33.47 30.18 2jqy s TRP 131 CO -0.09 -0.51 0.31 -0.51 0.02 0.00 0.00 176.95 176.18 2jqy s LEU 132 N -4.33 -0.27 -0.67 2.99 1.43 -1.26 -2.78 118.68 113.79 2jqy s LEU 132 Ca 0.49 -0.82 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 2jqy s LEU 132 Cb -0.05 0.57 0.07 0.00 0.03 0.00 0.00 46.19 46.81 2jqy s LEU 132 CO 0.30 -0.37 1.00 -0.55 0.23 0.00 0.00 176.35 176.95 2jqy s SER 133 N 2.27 6.18 -0.11 2.29 0.15 0.23 -3.87 113.70 120.83 2jqy s SER 133 Ca 0.10 -0.95 -0.03 0.00 0.70 0.00 0.00 55.95 55.77 2jqy s SER 133 Cb -0.14 -2.43 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 2jqy s SER 133 CO -0.29 -1.48 0.02 -0.32 1.20 0.00 0.00 173.24 172.37 2jqy s MET 134 N 4.23 3.27 0.12 5.44 1.75 -1.10 -0.61 119.30 132.41 2jqy s MET 134 Ca 0.24 -0.38 0.09 0.00 -1.25 0.00 0.00 55.69 54.39 2jqy s MET 134 Cb -0.16 -2.92 -0.04 0.00 2.84 0.00 0.00 34.83 34.56 2jqy s MET 134 CO 0.10 0.59 -0.23 0.71 -0.65 0.00 0.00 175.02 175.55 2jqy s TYR 135 N -0.55 1.96 -0.29 4.11 2.02 -1.13 -2.83 117.35 120.65 2jqy s TYR 135 Ca 0.10 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2jqy s TYR 135 Cb -0.12 -1.06 0.18 0.00 -0.40 0.00 0.00 41.96 40.56 2jqy s TYR 135 CO 0.02 0.26 0.50 0.21 -1.57 0.00 0.00 175.55 174.98 2jqy s LYS 136 N -2.05 0.48 0.59 -0.62 2.36 0.38 -2.65 119.74 118.23 2jqy s LYS 136 Ca 0.10 0.48 -0.17 0.00 -2.55 0.00 0.00 55.97 53.84 2jqy s LYS 136 Cb -0.10 0.01 -0.04 0.00 -1.05 0.00 0.00 37.83 36.66 2jqy s LYS 136 CO 0.05 -0.91 1.08 -0.06 1.55 0.00 0.00 175.35 177.06 2jqy s PHE 137 N 2.70 2.83 -0.07 4.03 0.08 -1.26 0.25 117.98 126.53 2jqy s PHE 137 Ca 0.12 1.54 -0.30 0.00 0.12 0.00 0.00 56.93 58.41 2jqy s PHE 137 Cb -0.12 -3.11 0.10 0.00 -0.57 0.00 0.00 43.02 39.31 2jqy s PHE 137 CO -0.25 -1.33 0.85 0.00 -0.10 0.00 0.00 175.22 174.39 2jqy s ALA 138 N -2.24 -1.84 0.14 5.36 0.00 -0.13 -4.87 121.76 118.18 2jqy s ALA 138 Ca 0.67 1.31 -0.14 0.00 0.00 0.00 0.00 51.96 53.80 2jqy s ALA 138 Cb -0.19 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2jqy s ALA 138 CO 0.34 -0.43 0.37 1.21 0.00 0.00 0.00 175.76 177.25 2jqy s ASN 139 N -1.52 -0.14 0.35 0.00 3.04 -1.26 -0.39 114.94 115.02 2jqy s ASN 139 Ca -0.03 -0.48 0.12 0.00 0.04 0.00 0.00 52.86 52.51 2jqy s ASN 139 Cb -0.00 0.47 0.63 0.00 -1.54 0.00 0.00 41.25 40.80 2jqy s ASN 139 CO 0.01 -0.87 1.77 -0.78 -3.04 0.00 0.00 177.10 174.18 2jqy h ASP 140 N 2.42 0.00 0.00 -4.21 3.58 -2.01 -3.34 116.42 112.86 2jqy h ASP 140 Ca -0.33 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.04 2jqy h ASP 140 Cb 1.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 2jqy h ASP 140 CO 0.47 0.44 -1.30 -0.11 -2.88 0.00 0.00 179.24 175.86 2jqy n LEU 141 N -4.00 1.63 -2.32 2.28 7.94 -1.26 -5.12 117.00 116.16 2jqy n LEU 141 Ca -0.02 -0.02 -0.04 0.00 -1.11 0.00 0.00 56.01 54.83 2jqy n LEU 141 Cb 0.47 -0.06 -0.03 0.00 0.53 0.00 0.00 43.42 44.33 2jqy n LEU 141 CO 0.40 0.37 -0.52 0.59 -1.11 0.00 0.00 177.39 177.12 2jqy n ASN 142 N -2.43 -1.66 0.08 1.96 4.13 -1.25 -4.96 115.26 111.13 2jqy n ASN 142 Ca -0.08 1.13 -0.03 0.00 1.68 0.00 0.00 54.58 57.27 2jqy n ASN 142 Cb 0.62 -4.38 -0.02 0.00 -1.54 0.00 0.00 39.78 34.46 2jqy n ASN 142 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2jqy h THR 143 N 3.27 0.00 0.00 3.41 1.35 -1.99 -3.40 112.91 115.54 2jqy h THR 143 Ca -0.39 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.27 2jqy h THR 143 Cb 0.89 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.27 2jqy h THR 143 CO 0.01 0.00 -1.73 0.35 -0.25 0.00 0.00 175.52 173.89 2jqy n THR 144 N -2.58 0.74 -2.02 6.82 -2.24 -1.26 -5.02 114.28 108.72 2jqy n THR 144 Ca -0.03 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 2jqy n THR 144 Cb 0.08 -0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 67.50 2jqy n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jqy n GLY 145 N 2.52 0.18 3.36 3.38 0.00 -1.26 -4.97 105.19 108.39 2jqy n GLY 145 Ca -0.19 -0.52 -0.46 0.00 0.00 0.00 0.00 46.02 44.85 2jqy n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqy s TYR 146 N -2.44 3.79 -0.39 1.61 1.51 -1.26 -4.87 117.35 115.31 2jqy s TYR 146 Ca 0.00 -2.11 0.03 0.00 -1.01 0.00 0.00 57.07 53.98 2jqy s TYR 146 Cb 0.00 -3.94 0.18 0.00 -0.11 0.00 0.00 41.96 38.10 2jqy s TYR 146 CO 0.00 -1.09 0.74 0.00 -1.11 0.00 0.00 175.55 174.09 2jqy s ALA 147 N 0.26 -2.91 1.25 3.71 0.00 -1.26 -5.11 121.76 117.70 2jqy s ALA 147 Ca 0.26 0.51 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 2jqy s ALA 147 Cb -0.09 -2.81 0.31 0.00 0.00 0.00 0.00 23.12 20.53 2jqy s ALA 147 CO -0.08 -2.28 1.11 -0.25 0.00 0.00 0.00 175.76 174.25 2jqy n ASP 148 N 4.26 -2.06 -4.69 0.00 9.92 -1.26 -4.54 116.55 118.18 2jqy n ASP 148 Ca 0.09 -1.18 -0.42 0.00 -0.53 0.00 0.00 54.79 52.75 2jqy n ASP 148 Cb 0.59 -1.01 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 2jqy n ASP 148 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2jqy s THR 149 N -3.02 4.44 0.08 -3.53 -1.32 -1.26 -4.78 115.64 106.25 2jqy s THR 149 Ca 0.72 1.75 0.01 0.00 -1.21 0.00 0.00 61.69 62.95 2jqy s THR 149 Cb -0.07 -4.12 -0.04 0.00 -1.51 0.00 0.00 72.50 66.76 2jqy s THR 149 CO 0.55 0.00 0.21 -0.13 -2.21 0.00 0.00 174.62 173.04 2jqy s ARG 150 N 2.13 3.39 -0.03 7.08 0.52 -1.08 -4.22 118.95 126.74 2jqy s ARG 150 Ca 0.53 -0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 55.25 2jqy s ARG 150 Cb -0.22 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.28 2jqy s ARG 150 CO 0.21 0.59 0.03 0.14 0.02 0.00 0.00 175.30 176.29 2jqy s VAL 151 N -1.54 0.01 -0.33 3.52 -7.23 -1.25 -2.83 120.40 110.75 2jqy s VAL 151 Ca 0.34 0.24 -0.01 0.00 -1.81 0.00 0.00 61.98 60.74 2jqy s VAL 151 Cb -0.13 -0.17 0.11 0.00 0.56 0.00 0.00 36.38 36.76 2jqy s VAL 151 CO 0.28 0.14 0.14 -1.61 -0.31 0.00 0.00 175.10 173.74 2jqy s GLU 152 N 1.42 0.62 -0.10 4.82 0.41 0.22 -2.91 118.70 123.18 2jqy s GLU 152 Ca -0.05 -1.09 -0.10 0.00 -0.41 0.00 0.00 54.97 53.32 2jqy s GLU 152 Cb -0.13 -1.69 -0.05 0.00 -1.78 0.00 0.00 34.13 30.48 2jqy s GLU 152 CO -0.03 -1.06 0.24 -0.08 -0.49 0.00 0.00 175.26 173.84 2jqy s THR 153 N 1.49 5.33 -0.29 3.63 -1.32 -1.12 0.76 115.64 124.11 2jqy s THR 153 Ca 0.12 0.44 0.01 0.00 -1.21 0.00 0.00 61.69 61.05 2jqy s THR 153 Cb -0.19 -3.53 0.09 0.00 -1.51 0.00 0.00 72.50 67.36 2jqy s THR 153 CO -0.21 0.56 0.04 -1.83 -2.21 0.00 0.00 174.62 170.97 2jqy s GLU 154 N -0.70 1.16 -0.48 7.08 -1.05 -1.12 -2.33 118.70 121.26 2jqy s GLU 154 Ca 0.17 -1.25 -0.18 0.00 -0.15 0.00 0.00 54.97 53.56 2jqy s GLU 154 Cb -0.13 -2.50 0.06 0.00 -0.44 0.00 0.00 34.13 31.12 2jqy s GLU 154 CO 0.06 -0.86 0.53 0.95 0.95 0.00 0.00 175.26 176.89 2jqy s THR 155 N 1.37 5.02 0.28 1.83 -4.23 -1.13 -2.73 115.64 116.04 2jqy s THR 155 Ca 0.06 -0.65 0.04 0.00 -1.18 0.00 0.00 61.69 59.95 2jqy s THR 155 Cb -0.18 -4.21 -0.06 0.00 1.34 0.00 0.00 72.50 69.39 2jqy s THR 155 CO -0.15 -0.68 0.03 -0.83 -0.54 0.00 0.00 174.62 172.46 2jqy s GLY 156 N 2.54 1.82 -0.04 3.99 0.00 -0.96 -1.41 107.32 113.26 2jqy s GLY 156 Ca 0.11 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 42.93 2jqy s GLY 156 CO 0.10 -1.73 -0.05 1.08 0.00 0.00 0.00 173.10 172.51 2jqy s LEU 157 N -3.39 1.34 -0.29 0.66 1.43 -1.10 -1.73 118.68 115.60 2jqy s LEU 157 Ca 0.33 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2jqy s LEU 157 Cb 0.07 -0.45 0.03 0.00 0.03 0.00 0.00 46.19 45.87 2jqy s LEU 157 CO 0.12 -0.05 0.03 0.00 0.23 0.00 0.00 176.35 176.68 2jqy s GLN 158 N 0.90 2.82 -0.02 1.70 -2.07 -0.64 -2.87 119.66 119.48 2jqy s GLN 158 Ca -0.11 -1.02 0.04 0.00 -1.82 0.00 0.00 55.36 52.44 2jqy s GLN 158 Cb -0.14 -3.23 -0.00 0.00 -1.09 0.00 0.00 33.01 28.54 2jqy s GLN 158 CO 0.00 -0.50 -0.12 1.52 -1.32 0.00 0.00 175.29 174.88 2jqy s TYR 159 N 1.39 1.16 -0.00 9.60 1.13 -1.15 -2.77 117.35 126.71 2jqy s TYR 159 Ca -0.00 -0.26 -0.07 0.00 -1.41 0.00 0.00 57.07 55.32 2jqy s TYR 159 Cb -0.18 -0.78 -0.05 0.00 -1.10 0.00 0.00 41.96 39.86 2jqy s TYR 159 CO -0.00 -0.06 0.27 -0.08 -2.51 0.00 0.00 175.55 173.17 2jqy s THR 160 N -0.10 5.29 -0.10 -3.49 -1.32 -1.26 -1.60 115.64 113.06 2jqy s THR 160 Ca 0.01 0.24 -0.21 0.00 -1.21 0.00 0.00 61.69 60.52 2jqy s THR 160 Cb -0.07 -3.56 -0.28 0.00 -1.51 0.00 0.00 72.50 67.08 2jqy s THR 160 CO 0.00 0.41 0.68 0.15 -2.21 0.00 0.00 174.62 173.65 2jqy h PHE 161 N 4.14 0.34 -0.48 9.09 3.57 -1.97 -3.38 116.94 128.26 2jqy h PHE 161 Ca -0.51 -0.25 -0.31 0.00 3.53 0.00 0.00 57.97 60.43 2jqy h PHE 161 Cb 1.20 -0.01 -0.20 0.00 2.79 0.00 0.00 35.95 39.72 2jqy h PHE 161 CO 0.69 1.35 -0.26 -1.71 -2.23 0.00 0.00 178.31 176.16 2jqy n ASN 162 N -4.18 3.60 -3.24 0.41 2.85 -1.26 -4.99 115.26 108.44 2jqy n ASN 162 Ca -0.19 -3.80 -0.13 0.00 -0.11 0.00 0.00 54.58 50.34 2jqy n ASN 162 Cb 0.77 -0.57 0.01 0.00 1.24 0.00 0.00 39.78 41.22 2jqy n ASN 162 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jqy n GLU 163 N -0.99 -1.73 0.00 1.20 1.02 -1.26 -4.82 120.64 114.07 2jqy n GLU 163 Ca 0.37 1.47 0.00 0.00 -0.02 0.00 0.00 57.16 58.99 2jqy n GLU 163 Cb 0.93 -4.39 0.00 0.00 -0.02 0.00 0.00 31.44 27.95 2jqy n GLU 163 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jqy n THR 164 N -1.37 0.00 -3.61 2.62 -2.24 -1.26 -5.10 114.28 103.31 2jqy n THR 164 Ca -0.06 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 2jqy n THR 164 Cb 0.56 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 2jqy n THR 164 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jqy s VAL 165 N 0.00 4.67 -0.10 2.28 0.11 -1.26 -4.63 120.40 121.47 2jqy s VAL 165 Ca 0.00 -0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 2jqy s VAL 165 Cb 0.00 -3.48 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 2jqy s VAL 165 CO 0.00 -0.08 -0.03 0.00 -3.33 0.00 0.00 175.10 171.66 2jqy s ALA 166 N 1.60 3.10 -0.22 1.54 0.00 -1.26 -3.47 121.76 123.06 2jqy s ALA 166 Ca 0.04 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 2jqy s ALA 166 Cb -0.18 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2jqy s ALA 166 CO 0.07 0.47 0.43 -0.48 0.00 0.00 0.00 175.76 176.24 2jqy s LEU 167 N -0.48 4.12 -0.22 0.00 2.34 -0.63 -3.59 118.68 120.22 2jqy s LEU 167 Ca 0.08 0.51 -0.06 0.00 0.06 0.00 0.00 54.13 54.71 2jqy s LEU 167 Cb -0.12 -2.55 -0.03 0.00 -0.56 0.00 0.00 46.19 42.93 2jqy s LEU 167 CO 0.02 -0.14 0.03 -0.60 -1.06 0.00 0.00 176.35 174.61 2jqy s ARG 168 N 1.61 3.64 -0.22 1.48 3.52 0.26 -2.91 118.95 126.32 2jqy s ARG 168 Ca 0.19 -0.50 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 2jqy s ARG 168 Cb -0.15 -3.19 0.06 0.00 -1.56 0.00 0.00 34.95 30.11 2jqy s ARG 168 CO 0.09 -0.08 -0.03 0.08 -0.81 0.00 0.00 175.30 174.55 2jqy s VAL 169 N 1.27 1.21 0.19 7.11 1.01 -1.14 -0.78 120.40 129.27 2jqy s VAL 169 Ca 0.04 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.12 2jqy s VAL 169 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2jqy s VAL 169 CO 0.02 -0.11 0.00 0.54 0.00 0.00 0.00 175.10 175.56 2jqy s ASN 170 N 1.55 4.75 -0.25 3.32 4.22 -1.13 -2.72 114.94 124.67 2jqy s ASN 170 Ca -0.04 -0.43 -0.09 0.00 -2.14 0.00 0.00 52.86 50.17 2jqy s ASN 170 Cb -0.18 -1.00 -0.04 0.00 1.28 0.00 0.00 41.25 41.31 2jqy s ASN 170 CO -0.07 0.07 0.12 -0.47 -2.04 0.00 0.00 177.10 174.71 2jqy s TYR 171 N -1.82 3.15 0.04 1.54 5.04 -0.50 -2.74 117.35 122.07 2jqy s TYR 171 Ca 0.28 -0.17 -0.24 0.00 -2.44 0.00 0.00 57.07 54.51 2jqy s TYR 171 Cb -0.09 -2.28 -0.06 0.00 0.35 0.00 0.00 41.96 39.89 2jqy s TYR 171 CO 0.19 -0.23 0.72 -0.47 -1.34 0.00 0.00 175.55 174.41 2jqy s TYR 172 N 1.55 3.73 -0.20 4.97 5.04 0.29 -2.83 117.35 129.89 2jqy s TYR 172 Ca 0.06 1.40 -0.04 0.00 -2.44 0.00 0.00 57.07 56.05 2jqy s TYR 172 Cb -0.15 -2.75 0.08 0.00 0.35 0.00 0.00 41.96 39.48 2jqy s TYR 172 CO 0.06 0.31 0.15 -1.17 -1.34 0.00 0.00 175.55 173.56 2jqy s LEU 173 N -0.16 0.18 -0.06 6.97 2.96 -0.98 -1.27 118.68 126.31 2jqy s LEU 173 Ca 0.36 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2jqy s LEU 173 Cb -0.20 -0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 2jqy s LEU 173 CO 0.21 -0.35 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.09 2jqy s GLU 174 N 2.21 2.68 -0.06 1.98 -6.30 -0.94 -2.81 118.70 115.46 2jqy s GLU 174 Ca 0.05 -0.62 -0.01 0.00 -2.50 0.00 0.00 54.97 51.88 2jqy s GLU 174 Cb -0.16 -2.50 0.03 0.00 0.00 0.00 0.00 34.13 31.50 2jqy s GLU 174 CO -0.13 0.62 0.02 1.03 0.02 0.00 0.00 175.26 176.81 2jqy s ARG 175 N -0.70 0.37 0.41 4.30 0.52 -1.15 -2.72 118.95 119.98 2jqy s ARG 175 Ca 0.11 0.19 -0.10 0.00 -0.52 0.00 0.00 55.73 55.40 2jqy s ARG 175 Cb -0.11 -0.78 -0.06 0.00 0.52 0.00 0.00 34.95 34.52 2jqy s ARG 175 CO 0.01 -0.29 0.77 0.20 0.02 0.00 0.00 175.30 176.01 2jqy s GLY 176 N 1.93 1.91 0.03 -3.53 0.00 -1.26 -3.90 107.32 102.50 2jqy s GLY 176 Ca 0.03 -0.22 0.05 0.00 0.00 0.00 0.00 44.72 44.59 2jqy s GLY 176 CO -0.04 -0.03 -0.13 -1.36 0.00 0.00 0.00 173.10 171.54 2jqy s PHE 177 N -2.40 2.71 -0.07 1.90 0.40 -1.26 -5.09 117.98 114.16 2jqy s PHE 177 Ca 0.51 -0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.65 2jqy s PHE 177 Cb -0.10 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2jqy s PHE 177 CO 0.32 0.32 0.07 -0.80 0.70 0.00 0.00 175.22 175.82 2jqy s ASN 178 N -1.50 5.70 -0.11 1.36 -0.87 -1.26 -4.59 114.94 113.66 2jqy s ASN 178 Ca 0.16 0.24 0.19 0.00 -1.57 0.00 0.00 52.86 51.88 2jqy s ASN 178 Cb -0.11 -1.69 0.43 0.00 -0.02 0.00 0.00 41.25 39.86 2jqy s ASN 178 CO 0.07 0.36 1.19 0.80 -2.57 0.00 0.00 177.10 176.94 2jqy n MET 179 N 1.82 0.91 0.00 -0.60 1.56 -1.26 -4.83 117.12 114.73 2jqy n MET 179 Ca -0.17 -2.72 0.00 0.00 -0.27 0.00 0.00 57.70 54.54 2jqy n MET 179 Cb 0.54 -0.84 0.00 0.00 2.15 0.00 0.00 33.22 35.06 2jqy n MET 179 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2jqy n ASP 180 N -0.25 0.00 -3.74 6.12 8.00 -1.26 -5.09 116.55 120.34 2jqy n ASP 180 Ca 0.13 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.40 2jqy n ASP 180 Cb 0.94 0.05 -0.17 0.00 -0.02 0.00 0.00 41.12 41.92 2jqy n ASP 180 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jqy s ASP 181 N -4.12 1.69 -0.46 -2.24 2.15 -1.26 -5.01 116.67 107.42 2jqy s ASP 181 Ca 0.00 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.84 2jqy s ASP 181 Cb 0.00 -0.38 0.57 0.00 -0.30 0.00 0.00 42.92 42.80 2jqy s ASP 181 CO 0.00 -0.23 1.88 -1.20 -0.17 0.00 0.00 175.17 175.46 2jqy n SER 182 N 5.18 4.54 -1.41 -0.34 7.64 -1.26 -4.36 113.62 123.61 2jqy n SER 182 Ca -0.06 -3.51 -0.10 0.00 1.01 0.00 0.00 58.87 56.20 2jqy n SER 182 Cb 0.50 -0.85 0.17 0.00 -1.01 0.00 0.00 64.21 63.02 2jqy n SER 182 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jqy n ARG 183 N -0.94 2.08 -3.28 1.43 5.12 -1.26 -4.75 116.66 115.05 2jqy n ARG 183 Ca 0.55 -3.28 -0.25 0.00 -1.93 0.00 0.00 57.85 52.94 2jqy n ARG 183 Cb 1.37 -1.92 -0.08 0.00 -1.16 0.00 0.00 32.46 30.67 2jqy n ARG 183 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2jqy n ASN 184 N -1.08 1.23 -4.85 0.55 3.02 -1.26 -5.10 115.26 107.76 2jqy n ASN 184 Ca 0.39 -2.90 -0.37 0.00 -0.03 0.00 0.00 54.58 51.66 2jqy n ASN 184 Cb 1.06 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 2jqy n ASN 184 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2jqy s ASN 185 N -1.50 6.71 -1.34 6.41 0.01 -1.26 -4.29 114.94 119.68 2jqy s ASN 185 Ca 0.36 0.85 -0.08 0.00 -0.71 0.00 0.00 52.86 53.29 2jqy s ASN 185 Cb 0.15 -2.21 0.01 0.00 0.41 0.00 0.00 41.25 39.62 2jqy s ASN 185 CO -0.09 0.29 1.13 0.61 -1.51 0.00 0.00 177.10 177.53 2jqy n GLY 186 N 1.55 -0.51 0.10 0.66 0.00 -1.26 -4.93 105.19 100.80 2jqy n GLY 186 Ca -0.13 0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 2jqy n GLY 186 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jqy h GLU 187 N -2.50 0.04 -1.71 1.61 4.81 -2.01 -3.49 114.58 111.33 2jqy h GLU 187 Ca -0.58 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 58.61 2jqy h GLU 187 Cb 1.36 0.03 -0.23 0.00 0.63 0.00 0.00 28.75 30.55 2jqy h GLU 187 CO 0.56 1.04 0.41 0.12 -0.73 0.00 0.00 179.01 180.40 2jqy s PHE 188 N -2.34 -0.50 0.01 0.92 2.19 -1.26 -5.17 117.98 111.83 2jqy s PHE 188 Ca -0.24 1.00 0.04 0.00 0.33 0.00 0.00 56.93 58.06 2jqy s PHE 188 Cb 0.03 0.40 -0.01 0.00 -1.31 0.00 0.00 43.02 42.12 2jqy s PHE 188 CO 0.66 -0.37 -0.11 0.45 1.83 0.00 0.00 175.22 177.67 2jqy s SER 189 N -0.64 1.33 -0.12 6.13 0.15 -1.26 -4.94 113.70 114.36 2jqy s SER 189 Ca -0.02 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.20 2jqy s SER 189 Cb -0.02 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.12 2jqy s SER 189 CO 0.01 0.08 0.34 -0.89 1.20 0.00 0.00 173.24 173.99 2jqy s THR 190 N -0.48 5.24 -0.22 6.45 2.01 -1.10 -5.04 115.64 122.50 2jqy s THR 190 Ca 0.03 0.67 -0.04 0.00 0.31 0.00 0.00 61.69 62.66 2jqy s THR 190 Cb -0.05 -3.67 0.11 0.00 0.01 0.00 0.00 72.50 68.89 2jqy s THR 190 CO 0.00 0.43 0.27 -1.10 -0.69 0.00 0.00 174.62 173.53 2jqy s GLN 191 N 0.11 0.24 0.48 4.92 -0.21 -1.26 -2.22 119.66 121.72 2jqy s GLN 191 Ca 0.20 0.31 0.02 0.00 0.02 0.00 0.00 55.36 55.90 2jqy s GLN 191 Cb -0.14 -0.98 -0.01 0.00 1.00 0.00 0.00 33.01 32.87 2jqy s GLN 191 CO 0.07 -0.65 0.04 -1.21 -2.12 0.00 0.00 175.29 171.42 2jqy s GLU 192 N 2.39 2.13 -0.02 2.91 2.02 -0.40 -4.96 118.70 122.77 2jqy s GLU 192 Ca 0.09 -2.35 -0.00 0.00 0.02 0.00 0.00 54.97 52.73 2jqy s GLU 192 Cb -0.16 -1.27 0.02 0.00 0.10 0.00 0.00 34.13 32.83 2jqy s GLU 192 CO -0.13 -0.40 0.04 0.42 0.02 0.00 0.00 175.26 175.20 2jqy s ILE 193 N -2.97 -0.04 -0.01 -1.63 1.09 -1.26 0.10 121.20 116.48 2jqy s ILE 193 Ca 0.10 0.16 0.05 0.00 -1.10 0.00 0.00 60.65 59.86 2jqy s ILE 193 Cb 0.02 -0.08 -0.03 0.00 -1.06 0.00 0.00 42.46 41.31 2jqy s ILE 193 CO 0.06 0.06 -0.14 -0.60 -0.10 0.00 0.00 174.94 174.23 2jqy s ARG 194 N 0.80 2.37 0.14 2.79 3.52 -1.11 -4.45 118.95 123.01 2jqy s ARG 194 Ca -0.07 -0.80 0.05 0.00 -0.13 0.00 0.00 55.73 54.79 2jqy s ARG 194 Cb -0.09 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 2jqy s ARG 194 CO -0.02 0.59 0.09 0.00 -0.81 0.00 0.00 175.30 175.15 2jqy s ALA 195 N -0.86 3.49 -0.15 6.12 0.00 -0.81 -2.85 121.76 126.70 2jqy s ALA 195 Ca 0.14 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.63 2jqy s ALA 195 Cb -0.11 -1.31 0.07 0.00 0.00 0.00 0.00 23.12 21.78 2jqy s ALA 195 CO 0.04 0.57 0.70 0.71 0.00 0.00 0.00 175.76 177.78 2jqy s TYR 196 N -1.62 -0.72 -0.50 0.00 2.02 0.04 -2.26 117.35 114.30 2jqy s TYR 196 Ca 0.29 1.49 0.07 0.00 -0.37 0.00 0.00 57.07 58.55 2jqy s TYR 196 Cb -0.11 0.35 0.19 0.00 -0.40 0.00 0.00 41.96 41.99 2jqy s TYR 196 CO 0.22 -0.51 0.68 -0.11 -1.57 0.00 0.00 175.55 174.26 2jqy n LEU 197 N 1.70 -2.99 -4.62 -1.29 7.94 -1.24 0.90 117.00 117.40 2jqy n LEU 197 Ca -0.17 -3.16 -0.43 0.00 -1.11 0.00 0.00 56.01 51.15 2jqy n LEU 197 Cb 0.56 0.73 -0.03 0.00 0.53 0.00 0.00 43.42 45.22 2jqy n LEU 197 CO 0.15 1.93 1.46 -2.16 -1.11 0.00 0.00 177.39 177.66 2jqy s PRO 198 N 0.73 3.64 0.03 1.96 0.04 -1.24 -4.18 135.00 135.98 2jqy s PRO 198 Ca 0.31 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.09 2jqy s PRO 198 Cb 0.02 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2jqy s PRO 198 CO -0.08 -1.48 -0.14 -1.17 0.04 0.00 0.00 177.00 174.16 2jqy s LEU 199 N 5.84 2.80 0.06 -3.56 0.20 0.23 -3.98 118.68 120.26 2jqy s LEU 199 Ca 0.77 -0.33 0.01 0.00 0.69 0.00 0.00 54.13 55.27 2jqy s LEU 199 Cb -0.26 -1.63 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 2jqy s LEU 199 CO 0.32 0.26 -0.05 0.42 -0.29 0.00 0.00 176.35 177.01 2jqy s THR 200 N -0.95 0.40 -0.36 3.68 -4.23 -1.26 -0.11 115.64 112.81 2jqy s THR 200 Ca 0.16 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2jqy s THR 200 Cb -0.11 -1.16 0.14 0.00 1.34 0.00 0.00 72.50 72.72 2jqy s THR 200 CO 0.06 -0.75 0.27 -0.76 -0.54 0.00 0.00 174.62 172.90 2jqy s LEU 201 N -2.43 0.54 0.00 4.79 1.43 0.33 -4.96 118.68 118.38 2jqy s LEU 201 Ca 0.01 -1.91 0.00 0.00 -1.03 0.00 0.00 54.13 51.20 2jqy s LEU 201 Cb 0.00 -0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.22 2jqy s LEU 201 CO -0.05 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.85 2jqy n GLY 202 N 4.17 0.64 0.00 -3.19 0.00 -1.26 -1.97 105.19 103.59 2jqy n GLY 202 Ca 0.11 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2jqy n GLY 202 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jqy n ASN 203 N 1.71 3.85 -4.76 1.61 3.02 -1.26 -5.05 115.26 114.38 2jqy n ASN 203 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2jqy n ASN 203 Cb 0.00 0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 2jqy n ASN 203 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2jqy s HIS 204 N -1.85 3.11 -0.04 3.10 2.46 -0.83 -4.72 115.29 116.52 2jqy s HIS 204 Ca 0.00 1.32 0.03 0.00 0.47 0.00 0.00 55.06 56.89 2jqy s HIS 204 Cb 0.00 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.78 2jqy s HIS 204 CO 0.00 -1.94 -0.14 -1.12 -2.47 0.00 0.00 174.74 169.07 2jqy s SER 205 N -0.19 1.85 -0.11 9.88 0.01 -0.52 -0.51 113.70 124.10 2jqy s SER 205 Ca 0.52 -0.30 -0.05 0.00 1.31 0.00 0.00 55.95 57.43 2jqy s SER 205 Cb -0.39 -0.57 0.05 0.00 0.21 0.00 0.00 66.02 65.32 2jqy s SER 205 CO 0.48 0.11 0.23 0.68 0.41 0.00 0.00 173.24 175.15 2jqy s VAL 206 N 0.19 -0.21 -0.24 3.43 -7.23 0.85 0.87 120.40 118.05 2jqy s VAL 206 Ca -0.06 0.23 -0.03 0.00 -1.81 0.00 0.00 61.98 60.31 2jqy s VAL 206 Cb -0.12 -0.38 0.08 0.00 0.56 0.00 0.00 36.38 36.52 2jqy s VAL 206 CO 0.02 0.09 0.09 0.42 -0.31 0.00 0.00 175.10 175.41 2jqy s THR 207 N 1.83 0.26 0.66 5.32 -4.23 -0.84 0.76 115.64 119.41 2jqy s THR 207 Ca -0.04 -0.70 -0.09 0.00 -1.18 0.00 0.00 61.69 59.69 2jqy s THR 207 Cb -0.11 -1.03 0.02 0.00 1.34 0.00 0.00 72.50 72.71 2jqy s THR 207 CO -0.08 -0.48 1.02 -2.16 -0.54 0.00 0.00 174.62 172.37 2jqy s PRO 208 N 1.95 2.83 -0.03 3.99 0.04 -1.26 -2.60 135.00 139.92 2jqy s PRO 208 Ca 0.05 0.23 -0.01 0.00 0.04 0.00 0.00 61.00 61.30 2jqy s PRO 208 Cb -0.17 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.27 2jqy s PRO 208 CO -0.21 -0.92 0.06 1.52 0.04 0.00 0.00 177.00 177.49 2jqy s TYR 209 N -3.21 -0.05 -0.07 0.56 -0.85 -0.10 -3.72 117.35 109.92 2jqy s TYR 209 Ca 0.57 0.21 0.03 0.00 -0.52 0.00 0.00 57.07 57.36 2jqy s TYR 209 Cb -0.11 -0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.10 2jqy s TYR 209 CO 0.49 -0.09 -0.15 0.99 -1.52 0.00 0.00 175.55 175.27 2jqy s THR 210 N 0.72 2.98 -0.17 -3.49 2.01 -0.96 -2.62 115.64 114.11 2jqy s THR 210 Ca -0.06 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.05 2jqy s THR 210 Cb -0.08 -2.18 -0.10 0.00 0.01 0.00 0.00 72.50 70.15 2jqy s THR 210 CO -0.03 0.58 0.02 0.03 -0.69 0.00 0.00 174.62 174.53 2jqy h ARG 211 N 5.67 0.00 -5.40 4.92 -0.00 -1.89 -2.15 114.38 115.52 2jqy h ARG 211 Ca -0.41 0.00 -0.64 0.00 -0.50 0.00 0.00 59.98 58.43 2jqy h ARG 211 Cb 1.17 0.00 -0.20 0.00 0.00 0.00 0.00 29.97 30.94 2jqy h ARG 211 CO 0.51 0.46 -0.64 0.96 0.00 0.00 0.00 179.97 181.26 2jqy s ILE 212 N -2.27 4.12 -0.32 2.04 -4.36 -1.26 -4.49 121.20 114.66 2jqy s ILE 212 Ca -0.20 -0.28 0.01 0.00 -0.26 0.00 0.00 60.65 59.91 2jqy s ILE 212 Cb 0.04 -2.80 0.14 0.00 1.25 0.00 0.00 42.46 41.08 2jqy s ILE 212 CO 0.38 0.50 0.32 -0.83 0.24 0.00 0.00 174.94 175.56 2jqy s GLY 213 N 0.17 -0.06 -0.49 6.27 0.00 -1.26 -5.00 107.32 106.96 2jqy s GLY 213 Ca -0.00 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.13 2jqy s GLY 213 CO 0.02 2.65 1.75 1.04 0.00 0.00 0.00 173.10 178.56 2jqy n LEU 214 N 4.89 6.35 -1.39 0.66 4.77 -1.26 -4.98 117.00 126.04 2jqy n LEU 214 Ca 0.03 -4.17 0.19 0.00 -0.03 0.00 0.00 56.01 52.02 2jqy n LEU 214 Cb 0.45 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 2jqy n LEU 214 CO 0.04 1.49 -0.29 0.47 -1.33 0.00 0.00 177.39 177.77 2jqy n ASP 215 N -0.96 -8.26 -1.55 -1.43 8.00 -1.26 -4.73 116.55 106.36 2jqy n ASP 215 Ca 0.53 0.63 0.03 0.00 0.71 0.00 0.00 54.79 56.69 2jqy n ASP 215 Cb 0.98 -4.25 0.06 0.00 -0.02 0.00 0.00 41.12 37.89 2jqy n ASP 215 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2jqy n ARG 216 N -4.14 0.71 -3.82 -1.24 0.00 -1.26 -5.04 116.66 101.87 2jqy n ARG 216 Ca 0.00 -2.56 -0.12 0.00 -0.00 0.00 0.00 57.85 55.17 2jqy n ARG 216 Cb 0.64 -0.64 -0.10 0.00 0.00 0.00 0.00 32.46 32.36 2jqy n ARG 216 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 2jqy s TRP 217 N -1.32 -0.08 -1.51 -0.14 -0.11 -1.26 -4.88 118.94 109.64 2jqy s TRP 217 Ca 0.34 0.11 -0.05 0.00 1.22 0.00 0.00 56.10 57.73 2jqy s TRP 217 Cb 0.38 0.02 0.01 0.00 -1.50 0.00 0.00 33.47 32.37 2jqy s TRP 217 CO -0.12 -0.30 0.67 0.45 -4.62 0.00 0.00 176.95 173.03 2jqy n SER 218 N 1.61 -6.10 0.03 5.86 2.88 -1.26 -4.81 113.62 111.84 2jqy n SER 218 Ca -0.21 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 2jqy n SER 218 Cb 0.56 -4.89 0.00 0.00 -0.75 0.00 0.00 64.21 59.13 2jqy n SER 218 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jqy n ASN 219 N -2.48 -0.02 -4.41 -3.46 4.13 -1.26 -5.00 115.26 102.76 2jqy n ASN 219 Ca -0.10 0.10 -0.45 0.00 1.68 0.00 0.00 54.58 55.82 2jqy n ASN 219 Cb 0.61 0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.90 2jqy n ASN 219 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2jqy s TRP 220 N -2.00 3.27 -0.25 3.10 0.52 -1.26 -4.78 118.94 117.54 2jqy s TRP 220 Ca 0.00 -1.49 -0.13 0.00 0.02 0.00 0.00 56.10 54.50 2jqy s TRP 220 Cb 0.00 -4.14 -0.10 0.00 -1.15 0.00 0.00 33.47 28.08 2jqy s TRP 220 CO 0.00 -1.35 -0.32 -3.47 0.02 0.00 0.00 176.95 171.83 2jqy n ASP 221 N 5.88 1.76 -4.68 2.95 2.03 -1.26 -5.02 116.55 118.20 2jqy n ASP 221 Ca 0.18 0.30 -0.29 0.00 0.52 0.00 0.00 54.79 55.50 2jqy n ASP 221 Cb 0.48 -0.73 0.12 0.00 -0.72 0.00 0.00 41.12 40.27 2jqy n ASP 221 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2jqy s TRP 222 N -2.47 2.52 -0.15 -0.67 0.23 -1.26 -5.06 118.94 112.06 2jqy s TRP 222 Ca -0.34 0.67 -0.04 0.00 -2.03 0.00 0.00 56.10 54.35 2jqy s TRP 222 Cb 0.13 -3.62 -0.03 0.00 0.03 0.00 0.00 33.47 29.98 2jqy s TRP 222 CO 0.44 -2.13 -0.02 1.14 0.96 0.00 0.00 176.95 177.34 2jqy s GLN 223 N -5.59 3.67 0.13 4.98 -2.07 -1.26 -5.11 119.66 114.41 2jqy s GLN 223 Ca 0.65 -0.48 -0.09 0.00 -1.82 0.00 0.00 55.36 53.62 2jqy s GLN 223 Cb -0.10 -2.95 -0.06 0.00 -1.09 0.00 0.00 33.01 28.81 2jqy s GLN 223 CO 0.51 0.29 0.44 0.16 -1.32 0.00 0.00 175.29 175.37 2jqy s ASP 224 N 0.26 6.63 -0.64 12.60 1.47 -1.26 -5.02 116.67 130.70 2jqy s ASP 224 Ca -0.02 0.81 -0.27 0.00 1.18 0.00 0.00 52.55 54.25 2jqy s ASP 224 Cb -0.14 -2.18 0.01 0.00 -0.34 0.00 0.00 42.92 40.27 2jqy s ASP 224 CO 0.02 0.09 1.54 -1.81 0.68 0.00 0.00 175.17 175.69 2jqy s ASP 225 N -2.03 5.81 0.12 2.11 1.11 -1.26 -4.95 116.67 117.58 2jqy s ASP 225 Ca 0.38 0.05 -0.02 0.00 0.18 0.00 0.00 52.55 53.14 2jqy s ASP 225 Cb -0.13 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.28 2jqy s ASP 225 CO 0.20 -2.01 0.07 0.27 1.18 0.00 0.00 175.17 174.89 2jqy s ILE 226 N 7.09 0.12 -0.06 0.77 -4.36 -1.26 -5.07 121.20 118.43 2jqy s ILE 226 Ca 0.52 -1.78 0.01 0.00 -0.26 0.00 0.00 60.65 59.13 2jqy s ILE 226 Cb -0.11 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 2jqy s ILE 226 CO 0.20 -0.57 -0.04 -0.62 0.24 0.00 0.00 174.94 174.15 2jqy n GLU 227 N -0.06 0.56 -2.20 0.37 -0.58 -1.26 -5.03 120.64 112.44 2jqy n GLU 227 Ca -0.08 0.03 -0.40 0.00 -0.42 0.00 0.00 57.16 56.29 2jqy n GLU 227 Cb 0.63 -1.12 -0.02 0.00 -0.57 0.00 0.00 31.44 30.36 2jqy n GLU 227 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2jqy s ARG 228 N -2.12 4.29 -0.30 3.49 1.04 -1.26 -5.00 118.95 119.09 2jqy s ARG 228 Ca -0.07 2.07 -0.11 0.00 -1.04 0.00 0.00 55.73 56.57 2jqy s ARG 228 Cb 0.02 -2.97 0.19 0.00 -2.04 0.00 0.00 34.95 30.14 2jqy s ARG 228 CO 0.14 -0.19 1.05 -1.83 -0.04 0.00 0.00 175.30 174.44 2jqy s GLU 229 N -1.89 0.15 0.00 3.89 -1.05 -1.26 -5.17 118.70 113.36 2jqy s GLU 229 Ca 0.51 0.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.42 2jqy s GLU 229 Cb -0.36 0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.38 2jqy s GLU 229 CO 0.48 -0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.84 2jqy n GLY 230 N 4.83 3.24 0.54 -3.83 0.00 -1.26 -5.10 105.19 103.62 2jqy n GLY 230 Ca 0.09 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 2jqy n GLY 230 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jqy n HIS 231 N 0.00 0.00 -3.87 1.61 1.44 -1.26 -5.08 115.22 108.07 2jqy n HIS 231 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 2jqy n HIS 231 Cb 0.00 -0.13 -0.12 0.00 0.12 0.00 0.00 29.99 29.86 2jqy n HIS 231 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2jqy s ASP 232 N -4.93 -0.02 0.35 4.39 1.11 -1.26 -5.17 116.67 111.13 2jqy s ASP 232 Ca -0.05 0.01 0.06 0.00 0.18 0.00 0.00 52.55 52.74 2jqy s ASP 232 Cb 0.02 0.19 -0.07 0.00 1.07 0.00 0.00 42.92 44.13 2jqy s ASP 232 CO 0.07 -0.15 0.01 -0.36 1.18 0.00 0.00 175.17 175.92 2jqy s PHE 233 N -0.49 2.17 -0.91 4.23 0.40 -1.26 -5.09 117.98 117.04 2jqy s PHE 233 Ca -0.06 -0.79 -0.14 0.00 -0.60 0.00 0.00 56.93 55.35 2jqy s PHE 233 Cb -0.04 -1.42 0.22 0.00 0.51 0.00 0.00 43.02 42.29 2jqy s PHE 233 CO 0.00 0.24 0.89 -0.80 0.70 0.00 0.00 175.22 176.26 2jqy s ASN 234 N -3.56 6.87 0.38 1.36 0.02 -1.26 -5.01 114.94 113.74 2jqy s ASN 234 Ca 0.34 -2.81 0.04 0.00 -1.02 0.00 0.00 52.86 49.41 2jqy s ASN 234 Cb 0.08 -2.24 -0.03 0.00 0.02 0.00 0.00 41.25 39.08 2jqy s ASN 234 CO 0.16 -0.58 0.11 -0.13 0.02 0.00 0.00 177.10 176.68 2jqy s ARG 235 N 0.20 1.84 0.47 -0.60 1.81 -1.26 -4.94 118.95 116.46 2jqy s ARG 235 Ca 0.23 -2.09 0.00 0.00 -1.72 0.00 0.00 55.73 52.14 2jqy s ARG 235 Cb -0.09 -0.65 0.00 0.00 -0.45 0.00 0.00 34.95 33.76 2jqy s ARG 235 CO -0.09 -0.40 0.00 0.28 -0.68 0.00 0.00 175.30 174.41 2jqy n VAL 236 N -0.83 -4.91 -2.58 3.52 0.31 -1.26 -4.88 118.33 107.69 2jqy n VAL 236 Ca -0.05 2.17 -0.39 0.00 -0.01 0.00 0.00 64.34 66.06 2jqy n VAL 236 Cb 0.65 -2.99 -0.05 0.00 -0.91 0.00 0.00 33.84 30.55 2jqy n VAL 236 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2jqy s GLY 237 N -3.23 3.02 -0.06 2.92 0.00 -1.08 -4.78 107.32 104.11 2jqy s GLY 237 Ca 0.00 0.77 0.02 0.00 0.00 0.00 0.00 44.72 45.51 2jqy s GLY 237 CO 0.00 1.33 -0.09 -2.27 0.00 0.00 0.00 173.10 172.07 2jqy s LEU 238 N -1.59 1.52 -0.43 0.66 0.20 -1.11 -0.93 118.68 117.01 2jqy s LEU 238 Ca 0.46 -0.23 -0.08 0.00 0.69 0.00 0.00 54.13 54.97 2jqy s LEU 238 Cb -0.28 -0.68 0.10 0.00 -0.43 0.00 0.00 46.19 44.90 2jqy s LEU 238 CO 0.36 -0.00 0.27 -0.36 -0.29 0.00 0.00 176.35 176.32 2jqy s PHE 239 N 0.77 3.41 0.54 5.38 0.08 -1.07 -2.29 117.98 124.80 2jqy s PHE 239 Ca -0.13 -1.82 -0.16 0.00 0.12 0.00 0.00 56.93 54.94 2jqy s PHE 239 Cb -0.15 -3.14 -0.07 0.00 -0.57 0.00 0.00 43.02 39.09 2jqy s PHE 239 CO 0.02 -0.92 1.00 0.71 -0.10 0.00 0.00 175.22 175.94 2jqy s TYR 240 N 1.35 3.36 -0.14 0.36 1.51 0.23 -1.98 117.35 122.04 2jqy s TYR 240 Ca 0.04 1.47 -0.08 0.00 -1.01 0.00 0.00 57.07 57.49 2jqy s TYR 240 Cb -0.24 -2.84 0.05 0.00 -0.11 0.00 0.00 41.96 38.82 2jqy s TYR 240 CO -0.00 -0.56 0.33 0.20 -1.11 0.00 0.00 175.55 174.42 2jqy s GLY 241 N -3.08 -0.24 0.06 0.71 0.00 0.25 -2.86 107.32 102.17 2jqy s GLY 241 Ca 0.60 1.22 -0.12 0.00 0.00 0.00 0.00 44.72 46.42 2jqy s GLY 241 CO 0.34 1.35 0.26 -0.47 0.00 0.00 0.00 173.10 174.58 2jqy s TYR 242 N 1.10 -0.01 -0.36 1.90 6.14 0.11 -1.44 117.35 124.78 2jqy s TYR 242 Ca -0.07 -0.25 0.05 0.00 0.64 0.00 0.00 57.07 57.44 2jqy s TYR 242 Cb -0.08 0.04 0.19 0.00 0.42 0.00 0.00 41.96 42.53 2jqy s TYR 242 CO -0.09 -0.52 0.68 0.34 0.64 0.00 0.00 175.55 176.60 2jqy s ASP 243 N -2.38 -1.39 -0.03 4.32 -1.08 -1.26 0.69 116.67 115.53 2jqy s ASP 243 Ca -0.01 -0.39 0.01 0.00 -0.52 0.00 0.00 52.55 51.64 2jqy s ASP 243 Cb 0.01 1.80 0.04 0.00 -1.46 0.00 0.00 42.92 43.31 2jqy s ASP 243 CO -0.07 -0.19 0.49 0.33 0.52 0.00 0.00 175.17 176.25 2jqy n PHE 244 N 4.69 -0.20 -0.10 -5.34 7.35 -1.26 -5.01 117.46 117.60 2jqy n PHE 244 Ca 0.09 -0.18 -0.21 0.00 -0.76 0.00 0.00 57.45 56.39 2jqy n PHE 244 Cb 0.57 0.57 -0.08 0.00 0.35 0.00 0.00 39.48 40.89 2jqy n PHE 244 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 2jqy n GLN 245 N -0.15 0.44 -1.38 -4.13 7.27 -1.26 -4.95 117.38 113.22 2jqy n GLN 245 Ca -0.03 0.18 -0.00 0.00 0.07 0.00 0.00 57.00 57.22 2jqy n GLN 245 Cb 0.48 -1.25 0.00 0.00 2.41 0.00 0.00 30.24 31.88 2jqy n GLN 245 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2jqy n ASN 246 N -3.79 -0.07 0.00 1.69 4.13 -1.26 -4.95 115.26 111.01 2jqy n ASN 246 Ca -0.39 -0.89 0.00 0.00 1.68 0.00 0.00 54.58 54.97 2jqy n ASN 246 Cb 0.80 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 39.07 2jqy n ASN 246 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jqy n GLY 247 N -0.06 0.71 3.92 7.41 0.00 -1.26 -5.06 105.19 110.84 2jqy n GLY 247 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2jqy n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jqy s LEU 248 N 0.00 4.24 -0.08 0.99 1.02 -1.26 -3.54 118.68 120.04 2jqy s LEU 248 Ca 0.00 0.46 -0.03 0.00 0.02 0.00 0.00 54.13 54.58 2jqy s LEU 248 Cb 0.00 -3.21 -0.04 0.00 0.02 0.00 0.00 46.19 42.96 2jqy s LEU 248 CO 0.00 -0.01 0.07 -0.55 0.02 0.00 0.00 176.35 175.88 2jqy s SER 249 N -2.92 5.76 -0.20 2.29 0.15 0.45 -4.14 113.70 115.09 2jqy s SER 249 Ca 0.39 0.27 -0.07 0.00 0.70 0.00 0.00 55.95 57.24 2jqy s SER 249 Cb -0.11 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2jqy s SER 249 CO 0.28 0.37 0.06 -0.69 1.20 0.00 0.00 173.24 174.45 2jqy s VAL 250 N -1.00 4.59 -0.18 4.45 1.01 0.22 0.94 120.40 130.42 2jqy s VAL 250 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2jqy s VAL 250 Cb -0.12 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.21 2jqy s VAL 250 CO 0.05 0.42 -0.12 -0.44 0.00 0.00 0.00 175.10 175.02 2jqy s SER 251 N 0.76 3.08 -0.17 3.32 0.01 -1.03 -0.71 113.70 118.96 2jqy s SER 251 Ca 0.03 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 2jqy s SER 251 Cb -0.13 -1.21 -0.00 0.00 0.21 0.00 0.00 66.02 64.88 2jqy s SER 251 CO 0.02 -0.10 -0.13 -0.76 0.41 0.00 0.00 173.24 172.68 2jqy s LEU 252 N 1.44 2.60 0.02 2.44 1.43 -1.13 -2.17 118.68 123.30 2jqy s LEU 252 Ca 0.02 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 2jqy s LEU 252 Cb -0.15 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 2jqy s LEU 252 CO -0.09 0.07 -0.06 -1.61 0.23 0.00 0.00 176.35 174.89 2jqy s GLU 253 N 0.89 2.52 -0.20 1.70 2.02 -1.05 0.75 118.70 125.34 2jqy s GLU 253 Ca -0.03 -0.76 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 2jqy s GLU 253 Cb -0.15 -2.49 0.06 0.00 0.10 0.00 0.00 34.13 31.65 2jqy s GLU 253 CO -0.01 0.59 0.05 -0.47 0.02 0.00 0.00 175.26 175.44 2jqy s TYR 254 N -1.05 0.92 0.11 1.61 5.04 -0.97 -2.87 117.35 120.15 2jqy s TYR 254 Ca 0.18 -0.82 -0.02 0.00 -2.44 0.00 0.00 57.07 53.98 2jqy s TYR 254 Cb -0.11 -1.00 0.01 0.00 0.35 0.00 0.00 41.96 41.20 2jqy s TYR 254 CO 0.09 -0.61 0.17 0.00 -1.34 0.00 0.00 175.55 173.86 2jqy n ALA 255 N 5.08 -0.22 -1.45 3.97 0.00 -1.26 -2.77 120.51 123.85 2jqy n ALA 255 Ca -0.08 -0.47 0.18 0.00 0.00 0.00 0.00 53.44 53.07 2jqy n ALA 255 Cb 0.47 0.38 -0.09 0.00 0.00 0.00 0.00 19.45 20.21 2jqy n ALA 255 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jqy n PHE 256 N -0.17 -3.86 -4.56 0.00 -0.00 -1.26 -4.50 117.46 103.10 2jqy n PHE 256 Ca -0.01 2.09 -0.26 0.00 -0.00 0.00 0.00 57.45 59.27 2jqy n PHE 256 Cb 0.18 -3.51 -0.06 0.00 -0.00 0.00 0.00 39.48 36.09 2jqy n PHE 256 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2jqy n GLU 257 N -4.35 0.73 -4.55 -4.13 0.28 -1.26 -5.00 120.64 102.36 2jqy n GLU 257 Ca -0.07 -3.26 -0.26 0.00 -0.16 0.00 0.00 57.16 53.41 2jqy n GLU 257 Cb 0.69 1.36 -0.09 0.00 1.43 0.00 0.00 31.44 34.82 2jqy n GLU 257 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 2jqy s TRP 258 N -2.83 1.91 0.21 -1.84 -0.11 -1.26 -5.06 118.94 109.96 2jqy s TRP 258 Ca 0.11 -1.07 0.00 0.00 1.22 0.00 0.00 56.10 56.35 2jqy s TRP 258 Cb 0.01 -1.33 0.00 0.00 -1.50 0.00 0.00 33.47 30.64 2jqy s TRP 258 CO 0.07 -0.04 0.00 1.04 -4.62 0.00 0.00 176.95 173.40 2jqy n GLN 259 N -0.91 -4.34 -1.47 5.86 3.00 -1.26 -4.96 117.38 113.29 2jqy n GLN 259 Ca -0.07 3.16 0.18 0.00 -0.01 0.00 0.00 57.00 60.26 2jqy n GLN 259 Cb 0.66 -3.34 -0.08 0.00 0.00 0.00 0.00 30.24 27.47 2jqy n GLN 259 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2jqy n ASP 260 N 1.14 -8.37 -3.00 1.08 8.00 -1.26 -5.04 116.55 109.10 2jqy n ASP 260 Ca 0.00 1.28 -0.17 0.00 0.71 0.00 0.00 54.79 56.61 2jqy n ASP 260 Cb 0.00 -4.91 -0.07 0.00 -0.02 0.00 0.00 41.12 36.12 2jqy n ASP 260 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jqy n HIS 261 N -4.37 -0.55 -4.23 1.24 1.44 -1.26 -5.09 115.22 102.40 2jqy n HIS 261 Ca -0.07 -2.36 -0.13 0.00 -2.01 0.00 0.00 57.72 53.15 2jqy n HIS 261 Cb 0.69 0.21 -0.02 0.00 0.12 0.00 0.00 29.99 30.99 2jqy n HIS 261 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2jqy n ASP 262 N -1.84 2.47 -2.08 4.39 8.00 -1.26 -5.03 116.55 121.20 2jqy n ASP 262 Ca 0.05 -1.88 -0.24 0.00 0.71 0.00 0.00 54.79 53.43 2jqy n ASP 262 Cb 0.52 0.12 0.09 0.00 -0.02 0.00 0.00 41.12 41.83 2jqy n ASP 262 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jqy n GLU 263 N -0.57 2.19 0.03 -1.24 1.02 -1.26 -4.36 120.64 116.45 2jqy n GLU 263 Ca -0.08 -2.47 0.13 0.00 -0.02 0.00 0.00 57.16 54.72 2jqy n GLU 263 Cb 0.26 -1.97 0.34 0.00 -0.02 0.00 0.00 31.44 30.05 2jqy n GLU 263 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jqy n GLY 264 N -0.51 -1.42 3.31 0.62 0.00 -1.26 -4.95 105.19 100.98 2jqy n GLY 264 Ca 0.48 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 2jqy n GLY 264 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jqy n ASP 265 N -1.78 -4.52 -4.23 1.61 8.00 -1.26 -4.97 116.55 109.39 2jqy n ASP 265 Ca 0.05 -0.51 -0.42 0.00 0.71 0.00 0.00 54.79 54.62 2jqy n ASP 265 Cb 0.38 -4.61 -0.08 0.00 -0.02 0.00 0.00 41.12 36.79 2jqy n ASP 265 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2jqy s SER 266 N -3.63 5.81 -0.53 -2.24 0.01 -1.26 -5.04 113.70 106.82 2jqy s SER 266 Ca 0.34 -2.00 -0.24 0.00 1.31 0.00 0.00 55.95 55.36 2jqy s SER 266 Cb -0.15 -2.04 0.04 0.00 0.21 0.00 0.00 66.02 64.08 2jqy s SER 266 CO 0.66 -0.69 0.92 1.51 0.41 0.00 0.00 173.24 176.04 2jqy s ASP 267 N 2.67 6.36 -0.12 2.44 -4.77 -1.26 -4.64 116.67 117.35 2jqy s ASP 267 Ca 0.07 -0.30 -0.09 0.00 -3.30 0.00 0.00 52.55 48.93 2jqy s ASP 267 Cb -0.25 -2.43 0.03 0.00 -1.09 0.00 0.00 42.92 39.18 2jqy s ASP 267 CO -0.01 -1.18 0.17 1.17 0.70 0.00 0.00 175.17 176.03 2jqy n LYS 268 N 7.34 -4.73 -2.99 2.11 0.00 -1.26 -5.05 118.16 113.59 2jqy n LYS 268 Ca 0.02 3.51 -0.06 0.00 0.00 0.00 0.00 58.31 61.79 2jqy n LYS 268 Cb 0.48 -4.87 -0.01 0.00 0.00 0.00 0.00 35.03 30.62 2jqy n LYS 268 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2jqy s PHE 269 N -0.63 -1.32 -0.53 5.64 0.08 -1.26 -5.11 117.98 114.85 2jqy s PHE 269 Ca -0.20 -0.51 -0.25 0.00 0.12 0.00 0.00 56.93 56.09 2jqy s PHE 269 Cb 0.01 0.16 0.04 0.00 -0.57 0.00 0.00 43.02 42.66 2jqy s PHE 269 CO 0.54 -1.19 0.96 -1.58 -0.10 0.00 0.00 175.22 173.86 2jqy s HIS 270 N 1.12 2.81 0.03 0.36 5.65 -1.26 -4.91 115.29 119.09 2jqy s HIS 270 Ca 0.25 0.14 -0.21 0.00 0.25 0.00 0.00 55.06 55.50 2jqy s HIS 270 Cb -0.02 -4.09 -0.15 0.00 -1.18 0.00 0.00 32.58 27.14 2jqy s HIS 270 CO -0.07 -1.30 1.31 -0.92 -0.65 0.00 0.00 174.74 173.11 2jqy h TYR 271 N 9.27 0.42 -3.14 3.88 5.03 -1.98 -3.45 116.97 126.99 2jqy h TYR 271 Ca -0.25 -0.14 -0.40 0.00 2.58 0.00 0.00 58.73 60.52 2jqy h TYR 271 Cb 1.07 -0.08 0.21 0.00 1.55 0.00 0.00 36.73 39.48 2jqy h TYR 271 CO 0.91 0.77 -0.06 0.00 -1.32 0.00 0.00 178.16 178.46 2jqy s ALA 272 N -4.18 -0.54 0.00 1.82 0.00 -1.26 -4.89 121.76 112.72 2jqy s ALA 272 Ca -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2jqy s ALA 272 Cb 0.05 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2jqy s ALA 272 CO 0.75 -4.33 0.00 0.41 0.00 0.00 0.00 175.76 172.60 2jqy n GLY 273 N 0.97 -0.18 3.25 0.00 0.00 -1.14 -4.93 105.19 103.15 2jqy n GLY 273 Ca 0.10 -1.64 -0.17 0.00 0.00 0.00 0.00 46.02 44.31 2jqy n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jqy s VAL 274 N -2.17 1.32 0.25 1.61 -7.23 -1.04 -2.53 120.40 110.60 2jqy s VAL 274 Ca 0.00 -1.79 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 2jqy s VAL 274 Cb 0.00 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.35 2jqy s VAL 274 CO 0.00 -0.48 0.58 -0.83 -0.31 0.00 0.00 175.10 174.06 2jqy s GLY 275 N -2.61 0.19 -0.13 2.32 0.00 -0.92 0.42 107.32 106.59 2jqy s GLY 275 Ca 0.11 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.27 2jqy s GLY 275 CO 0.03 -0.36 -0.03 -1.34 0.00 0.00 0.00 173.10 171.40 2jqy s VAL 276 N -3.96 0.80 -0.48 1.40 -7.23 0.30 -2.45 120.40 108.79 2jqy s VAL 276 Ca 0.16 -0.33 -0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2jqy s VAL 276 Cb -0.03 -0.99 0.13 0.00 0.56 0.00 0.00 36.38 36.05 2jqy s VAL 276 CO 0.06 0.17 0.25 0.21 -0.31 0.00 0.00 175.10 175.48 2jqy s ASN 277 N 1.78 4.96 0.37 4.85 2.47 0.27 0.43 114.94 130.06 2jqy s ASN 277 Ca 0.03 -2.48 -0.08 0.00 0.42 0.00 0.00 52.86 50.74 2jqy s ASN 277 Cb -0.14 -1.76 -0.06 0.00 -1.45 0.00 0.00 41.25 37.84 2jqy s ASN 277 CO -0.07 -0.40 0.69 -0.47 -3.72 0.00 0.00 177.10 173.13 2jqy s TYR 278 N 0.47 3.48 0.03 0.43 6.14 -0.08 -0.41 117.35 127.41 2jqy s TYR 278 Ca 0.13 0.88 0.03 0.00 0.64 0.00 0.00 57.07 58.75 2jqy s TYR 278 Cb -0.22 -2.30 -0.02 0.00 0.42 0.00 0.00 41.96 39.84 2jqy s TYR 278 CO -0.04 -0.01 -0.10 -1.12 0.64 0.00 0.00 175.55 174.92 2jqy s SER 279 N -3.22 1.17 0.00 4.32 0.01 -1.23 -0.85 113.70 113.90 2jqy s SER 279 Ca 0.48 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2jqy s SER 279 Cb -0.10 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2jqy s SER 279 CO 0.31 -0.06 0.39 0.33 0.41 0.00 0.00 173.24 174.63