#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 1.86 -3.51 3.49 1.02 -1.26 -4.97 120.64 117.27 2jqy n GLU 2 Ca 0.00 -3.56 -0.27 0.00 -0.02 0.00 0.00 57.16 53.31 2jqy n GLU 2 Cb 0.00 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 29.67 2jqy n GLU 2 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jqy s ARG 3 N -3.75 1.26 -0.17 3.49 0.52 -1.26 -4.80 118.95 114.24 2jqy s ARG 3 Ca 0.29 -2.39 -0.12 0.00 -0.52 0.00 0.00 55.73 52.99 2jqy s ARG 3 Cb 0.34 -1.88 -0.07 0.00 0.52 0.00 0.00 34.95 33.86 2jqy s ARG 3 CO -0.03 -1.36 -0.27 0.09 0.02 0.00 0.00 175.30 173.74 2jqy n ASN 4 N 2.66 1.63 0.15 0.23 3.02 -1.26 -4.73 115.26 116.95 2jqy n ASN 4 Ca 0.27 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 2jqy n ASN 4 Cb 0.45 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 2jqy n ASN 4 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jqy n ASP 5 N -4.10 -1.86 -3.53 6.41 2.03 -1.26 -4.63 116.55 109.60 2jqy n ASP 5 Ca -0.27 0.54 -0.12 0.00 0.52 0.00 0.00 54.79 55.47 2jqy n ASP 5 Cb 0.60 1.88 -0.11 0.00 -0.72 0.00 0.00 41.12 42.77 2jqy n ASP 5 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2jqy s TRP 6 N -2.00 -0.61 -0.18 -0.67 -0.11 -1.10 -3.90 118.94 110.36 2jqy s TRP 6 Ca 0.00 0.92 -0.02 0.00 1.22 0.00 0.00 56.10 58.23 2jqy s TRP 6 Cb 0.00 0.00 -0.01 0.00 -1.50 0.00 0.00 33.47 31.97 2jqy s TRP 6 CO 0.00 -0.54 -0.10 -1.01 -4.62 0.00 0.00 176.95 170.68 2jqy s HIS 7 N 2.49 2.88 -0.28 5.86 3.76 -1.05 -4.89 115.29 124.06 2jqy s HIS 7 Ca 0.05 -0.96 -0.11 0.00 -0.15 0.00 0.00 55.06 53.89 2jqy s HIS 7 Cb -0.14 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 2jqy s HIS 7 CO -0.12 -0.48 0.20 -0.06 -0.85 0.00 0.00 174.74 173.42 2jqy s PHE 8 N 1.07 3.23 -0.05 1.40 0.40 -0.41 -2.89 117.98 120.73 2jqy s PHE 8 Ca 0.00 0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.51 2jqy s PHE 8 Cb -0.15 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.00 2jqy s PHE 8 CO -0.02 -0.15 -0.15 -0.80 0.70 0.00 0.00 175.22 174.80 2jqy s ASN 9 N 1.70 1.98 -0.14 1.36 -0.87 -1.15 -0.98 114.94 116.84 2jqy s ASN 9 Ca 0.07 -0.33 -0.02 0.00 -1.57 0.00 0.00 52.86 51.02 2jqy s ASN 9 Cb -0.16 -0.62 0.05 0.00 -0.02 0.00 0.00 41.25 40.50 2jqy s ASN 9 CO 0.10 0.12 0.02 0.27 -2.57 0.00 0.00 177.10 175.05 2jqy s ILE 10 N 0.17 0.46 0.25 0.60 -5.25 0.24 -2.58 121.20 115.09 2jqy s ILE 10 Ca -0.06 -0.28 0.03 0.00 -0.99 0.00 0.00 60.65 59.35 2jqy s ILE 10 Cb -0.12 -0.83 -0.05 0.00 2.95 0.00 0.00 42.46 44.41 2jqy s ILE 10 CO 0.02 -0.02 0.04 -0.83 -1.79 0.00 0.00 174.94 172.37 2jqy s GLY 11 N 1.91 1.65 -0.25 6.27 0.00 -1.15 -0.30 107.32 115.45 2jqy s GLY 11 Ca 0.02 -1.82 -0.07 0.00 0.00 0.00 0.00 44.72 42.84 2jqy s GLY 11 CO -0.07 -1.64 0.52 0.00 0.00 0.00 0.00 173.10 171.90 2jqy s ALA 12 N -3.55 -1.56 0.31 3.20 0.00 0.50 -1.59 121.76 119.08 2jqy s ALA 12 Ca 0.32 1.82 0.08 0.00 0.00 0.00 0.00 51.96 54.18 2jqy s ALA 12 Cb 0.07 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2jqy s ALA 12 CO 0.11 -0.89 0.20 -1.64 0.00 0.00 0.00 175.76 173.54 2jqy s MET 13 N 2.74 2.63 -0.25 0.00 -1.94 -1.10 -1.98 119.30 119.40 2jqy s MET 13 Ca -0.01 -1.32 -0.02 0.00 -1.71 0.00 0.00 55.69 52.63 2jqy s MET 13 Cb -0.12 -2.38 0.14 0.00 2.01 0.00 0.00 34.83 34.47 2jqy s MET 13 CO -0.16 0.19 0.37 0.71 -0.01 0.00 0.00 175.02 176.12 2jqy s TYR 14 N -2.30 -0.80 -0.32 -0.03 1.51 -0.25 -2.78 117.35 112.37 2jqy s TYR 14 Ca 0.37 0.66 0.02 0.00 -1.01 0.00 0.00 57.07 57.11 2jqy s TYR 14 Cb -0.05 -0.06 0.08 0.00 -0.11 0.00 0.00 41.96 41.82 2jqy s TYR 14 CO 0.24 -0.76 0.02 -2.00 -1.11 0.00 0.00 175.55 171.94 2jqy s GLU 15 N 2.52 1.91 0.64 -0.62 2.56 -1.26 -3.05 118.70 121.40 2jqy s GLU 15 Ca 0.12 -1.63 0.00 0.00 0.00 0.00 0.00 54.97 53.45 2jqy s GLU 15 Cb -0.15 -3.17 0.00 0.00 2.00 0.00 0.00 34.13 32.81 2jqy s GLU 15 CO -0.19 -0.81 0.00 -0.89 -0.56 0.00 0.00 175.26 172.81 2jqy n ILE 16 N 4.40 -1.27 -0.09 -3.70 2.08 -1.26 -4.81 119.36 114.71 2jqy n ILE 16 Ca -0.04 1.06 -0.11 0.00 0.56 0.00 0.00 62.75 64.22 2jqy n ILE 16 Cb 0.42 -1.63 -0.11 0.00 -0.75 0.00 0.00 39.64 37.57 2jqy n ILE 16 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2jqy n GLU 17 N -4.17 1.01 -2.20 0.38 0.28 -1.26 -3.79 120.64 110.88 2jqy n GLU 17 Ca -0.09 0.05 -0.30 0.00 -0.16 0.00 0.00 57.16 56.66 2jqy n GLU 17 Cb 0.68 -1.41 -0.00 0.00 1.43 0.00 0.00 31.44 32.14 2jqy n GLU 17 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2jqy s ASN 18 N -5.41 6.30 -0.47 -1.84 3.84 -1.26 -4.25 114.94 111.85 2jqy s ASN 18 Ca -0.16 1.29 0.07 0.00 0.21 0.00 0.00 52.86 54.27 2jqy s ASN 18 Cb 0.06 -2.40 0.25 0.00 -0.55 0.00 0.00 41.25 38.61 2jqy s ASN 18 CO 0.58 -0.73 0.60 0.55 -2.79 0.00 0.00 177.10 175.32 2jqy n VAL 19 N -2.39 0.31 -1.40 -5.21 3.14 -1.26 -5.06 118.33 106.46 2jqy n VAL 19 Ca 0.04 -4.42 0.13 0.00 -2.96 0.00 0.00 64.34 57.13 2jqy n VAL 19 Cb 0.54 -1.94 -0.07 0.00 -1.06 0.00 0.00 33.84 31.31 2jqy n VAL 19 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2jqy n GLU 20 N 1.18 -3.35 0.00 1.45 -0.58 -1.26 -5.08 120.64 113.00 2jqy n GLU 20 Ca 0.24 2.71 0.00 0.00 -0.42 0.00 0.00 57.16 59.69 2jqy n GLU 20 Cb 0.50 -3.74 0.00 0.00 -0.57 0.00 0.00 31.44 27.63 2jqy n GLU 20 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jqy n GLY 21 N -3.85 -0.37 0.51 0.62 0.00 -1.26 -5.05 105.19 95.79 2jqy n GLY 21 Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2jqy n GLY 21 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jqy n TYR 22 N 0.00 -0.63 -0.38 1.61 4.11 -1.26 -5.15 117.16 115.46 2jqy n TYR 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2jqy n TYR 22 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.47 2jqy n TYR 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2jqy n GLY 23 N -1.23 4.22 2.39 -7.48 0.00 -1.26 -5.08 105.19 96.74 2jqy n GLY 23 Ca 0.00 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 2jqy n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqy n GLU 24 N 0.00 1.46 -2.09 1.61 1.02 -1.26 -5.11 120.64 116.27 2jqy n GLU 24 Ca 0.00 -3.65 -0.36 0.00 -0.02 0.00 0.00 57.16 53.12 2jqy n GLU 24 Cb 0.00 -1.76 0.02 0.00 -0.02 0.00 0.00 31.44 29.68 2jqy n GLU 24 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jqy s ASP 25 N -2.73 5.53 0.26 1.62 1.01 -1.26 -4.82 116.67 116.27 2jqy s ASP 25 Ca 0.40 2.37 0.00 0.00 0.71 0.00 0.00 52.55 56.04 2jqy s ASP 25 Cb 0.35 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.68 2jqy s ASP 25 CO -0.08 -1.36 0.00 1.15 0.21 0.00 0.00 175.17 175.09 2jqy n MET 26 N -1.21 0.00 -2.67 8.23 0.00 -1.26 -4.90 117.12 115.30 2jqy n MET 26 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.79 2jqy n MET 26 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.74 2jqy n MET 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2jqy s ASP 27 N -4.00 -0.18 0.00 3.17 -1.08 -1.26 -5.08 116.67 108.23 2jqy s ASP 27 Ca 0.00 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 2jqy s ASP 27 Cb 0.00 0.24 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 2jqy s ASP 27 CO 0.00 -0.01 0.00 0.61 0.52 0.00 0.00 175.17 176.29 2jqy n GLY 28 N 2.72 -1.77 3.37 2.66 0.00 -1.26 -5.19 105.19 105.72 2jqy n GLY 28 Ca 0.10 0.71 -0.22 0.00 0.00 0.00 0.00 46.02 46.62 2jqy n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqy s LEU 29 N 0.00 1.84 0.05 0.99 2.96 -1.26 -4.46 118.68 118.79 2jqy s LEU 29 Ca 0.00 -1.75 -0.27 0.00 -0.22 0.00 0.00 54.13 51.89 2jqy s LEU 29 Cb 0.00 0.34 0.09 0.00 0.50 0.00 0.00 46.19 47.12 2jqy s LEU 29 CO 0.00 -1.04 0.76 0.00 -1.32 0.00 0.00 176.35 174.75 2jqy s ALA 30 N -3.35 -1.73 -0.78 5.97 0.00 -1.26 -4.73 121.76 115.88 2jqy s ALA 30 Ca 0.34 0.86 0.03 0.00 0.00 0.00 0.00 51.96 53.19 2jqy s ALA 30 Cb 0.02 0.50 0.26 0.00 0.00 0.00 0.00 23.12 23.90 2jqy s ALA 30 CO 0.23 -0.67 0.91 0.39 0.00 0.00 0.00 175.76 176.63 2jqy n GLU 31 N -0.14 2.97 -2.19 0.00 -0.58 -1.25 -3.87 120.64 115.59 2jqy n GLU 31 Ca -0.13 -4.61 -0.43 0.00 -0.42 0.00 0.00 57.16 51.57 2jqy n GLU 31 Cb 0.62 -2.34 -0.02 0.00 -0.57 0.00 0.00 31.44 29.13 2jqy n GLU 31 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2jqy s PRO 32 N -2.36 3.77 -0.29 3.49 0.04 -1.26 -4.39 135.00 134.01 2jqy s PRO 32 Ca 0.35 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 2jqy s PRO 32 Cb 0.09 -4.01 0.04 0.00 0.04 0.00 0.00 34.50 30.65 2jqy s PRO 32 CO -0.01 -1.31 0.01 -1.54 0.04 0.00 0.00 177.00 174.18 2jqy s SER 33 N 4.01 4.82 0.42 6.66 1.04 -1.12 -4.11 113.70 125.43 2jqy s SER 33 Ca 0.68 -1.09 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 2jqy s SER 33 Cb -0.22 -1.74 -0.08 0.00 0.10 0.00 0.00 66.02 64.08 2jqy s SER 33 CO 0.28 -0.23 0.85 -0.69 0.98 0.00 0.00 173.24 174.43 2jqy s VAL 34 N 1.32 4.64 -0.01 5.02 1.01 -0.99 -2.72 120.40 128.67 2jqy s VAL 34 Ca -0.02 0.97 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 2jqy s VAL 34 Cb -0.19 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2jqy s VAL 34 CO -0.01 -0.47 0.02 -0.31 0.00 0.00 0.00 175.10 174.33 2jqy s TYR 35 N -2.33 -0.00 -0.26 5.22 2.02 -0.62 -2.67 117.35 118.71 2jqy s TYR 35 Ca 0.55 0.07 -0.02 0.00 -0.37 0.00 0.00 57.07 57.30 2jqy s TYR 35 Cb -0.10 -0.07 0.12 0.00 -0.40 0.00 0.00 41.96 41.51 2jqy s TYR 35 CO 0.26 -0.03 0.28 -0.06 -1.57 0.00 0.00 175.55 174.43 2jqy s PHE 36 N 0.34 -0.46 0.17 2.71 0.08 -0.38 -2.94 117.98 117.50 2jqy s PHE 36 Ca -0.03 0.09 0.05 0.00 0.12 0.00 0.00 56.93 57.16 2jqy s PHE 36 Cb -0.04 -0.36 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 2jqy s PHE 36 CO -0.01 -0.80 0.15 -0.80 -0.10 0.00 0.00 175.22 173.66 2jqy s ASN 37 N 2.38 5.58 -0.19 1.36 0.01 -1.07 0.67 114.94 123.67 2jqy s ASN 37 Ca 0.09 -0.12 -0.04 0.00 -0.71 0.00 0.00 52.86 52.08 2jqy s ASN 37 Cb -0.15 -1.47 0.10 0.00 0.41 0.00 0.00 41.25 40.14 2jqy s ASN 37 CO -0.24 0.06 0.30 0.00 -1.51 0.00 0.00 177.10 175.70 2jqy s ALA 38 N -1.77 -0.67 -0.32 0.60 0.00 0.30 -2.91 121.76 116.99 2jqy s ALA 38 Ca 0.31 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 2jqy s ALA 38 Cb -0.10 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2jqy s ALA 38 CO 0.24 -1.02 0.52 0.00 0.00 0.00 0.00 175.76 175.50 2jqy s ALA 39 N 2.44 3.51 -0.41 0.00 0.00 -1.14 0.08 121.76 126.24 2jqy s ALA 39 Ca 0.06 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2jqy s ALA 39 Cb -0.14 -2.98 0.14 0.00 0.00 0.00 0.00 23.12 20.14 2jqy s ALA 39 CO -0.12 -1.07 0.25 1.21 0.00 0.00 0.00 175.76 176.03 2jqy s ASN 40 N 1.70 3.16 1.98 0.00 2.47 -0.46 -2.54 114.94 121.25 2jqy s ASN 40 Ca 0.20 -2.54 0.00 0.00 0.42 0.00 0.00 52.86 50.94 2jqy s ASN 40 Cb -0.15 -0.72 0.00 0.00 -1.45 0.00 0.00 41.25 38.92 2jqy s ASN 40 CO 0.12 -0.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 2jqy n GLY 41 N 3.62 4.09 1.19 1.21 0.00 -1.26 -1.59 105.19 112.44 2jqy n GLY 41 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 14.00 2.47 -3.62 1.61 -0.04 -1.26 -4.74 135.00 143.42 2jqy n PRO 42 Ca 0.00 -1.36 -0.25 0.00 -0.04 0.00 0.00 63.50 61.86 2jqy n PRO 42 Cb 0.00 -1.77 -0.17 0.00 -0.04 0.00 0.00 33.50 31.52 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 -1.70 0.16 -0.43 0.54 0.52 -0.62 -3.90 118.94 113.50 2jqy s TRP 43 Ca 0.24 -0.19 -0.10 0.00 0.02 0.00 0.00 56.10 56.07 2jqy s TRP 43 Cb 0.19 -0.64 0.09 0.00 -1.15 0.00 0.00 33.47 31.95 2jqy s TRP 43 CO 0.06 -0.45 0.29 0.50 0.02 0.00 0.00 176.95 177.37 2jqy s ARG 44 N 2.15 2.61 -0.31 4.98 3.52 -1.10 -1.36 118.95 129.43 2jqy s ARG 44 Ca 0.03 -1.51 -0.26 0.00 -0.13 0.00 0.00 55.73 53.85 2jqy s ARG 44 Cb -0.15 -3.84 0.01 0.00 -1.56 0.00 0.00 34.95 29.41 2jqy s ARG 44 CO -0.08 -1.01 0.90 0.42 -0.81 0.00 0.00 175.30 174.72 2jqy s ILE 45 N 1.43 4.68 -0.19 4.11 1.01 0.11 -2.45 121.20 129.90 2jqy s ILE 45 Ca 0.04 1.39 0.01 0.00 0.00 0.00 0.00 60.65 62.08 2jqy s ILE 45 Cb -0.24 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.01 2jqy s ILE 45 CO 0.02 -0.35 -0.12 0.00 0.00 0.00 0.00 174.94 174.49 2jqy s ALA 46 N 3.24 2.01 -0.17 9.38 0.00 -0.35 0.11 121.76 135.98 2jqy s ALA 46 Ca 0.38 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2jqy s ALA 46 Cb -0.13 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.76 2jqy s ALA 46 CO 0.14 -0.71 -0.16 -1.17 0.00 0.00 0.00 175.76 173.86 2jqy s LEU 47 N 1.40 2.36 0.08 0.00 2.96 0.21 0.10 118.68 125.80 2jqy s LEU 47 Ca 0.00 -0.54 0.09 0.00 -0.22 0.00 0.00 54.13 53.45 2jqy s LEU 47 Cb -0.15 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2jqy s LEU 47 CO -0.09 0.03 -0.22 0.00 -1.32 0.00 0.00 176.35 174.75 2jqy s ALA 48 N 1.11 1.93 -0.22 5.97 0.00 0.51 -1.25 121.76 129.80 2jqy s ALA 48 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 2jqy s ALA 48 Cb -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2jqy s ALA 48 CO -0.06 0.42 -0.05 0.71 0.00 0.00 0.00 175.76 176.78 2jqy s TYR 49 N -1.00 2.95 -0.30 0.00 1.51 -1.09 -0.27 117.35 119.16 2jqy s TYR 49 Ca 0.09 -0.95 -0.05 0.00 -1.01 0.00 0.00 57.07 55.14 2jqy s TYR 49 Cb -0.10 -2.10 0.02 0.00 -0.11 0.00 0.00 41.96 39.68 2jqy s TYR 49 CO 0.04 -0.55 0.05 -0.47 -1.11 0.00 0.00 175.55 173.50 2jqy s TYR 50 N 1.47 3.17 0.01 2.71 5.04 -1.10 -2.35 117.35 126.30 2jqy s TYR 50 Ca 0.06 -1.29 -0.18 0.00 -2.44 0.00 0.00 57.07 53.21 2jqy s TYR 50 Cb -0.14 -2.21 0.03 0.00 0.35 0.00 0.00 41.96 40.00 2jqy s TYR 50 CO -0.04 -0.67 0.40 1.14 -1.34 0.00 0.00 175.55 175.05 2jqy s GLN 51 N 1.42 0.84 0.12 4.97 -2.07 -1.26 -2.44 119.66 121.23 2jqy s GLN 51 Ca 0.00 -0.21 0.08 0.00 -1.82 0.00 0.00 55.36 53.41 2jqy s GLN 51 Cb -0.18 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 2jqy s GLN 51 CO 0.01 -0.26 -0.19 -1.83 -1.32 0.00 0.00 175.29 171.70 2jqy s GLU 52 N -1.84 1.12 0.00 9.60 -1.05 -1.24 -4.05 118.70 121.24 2jqy s GLU 52 Ca -0.09 -1.21 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 2jqy s GLU 52 Cb -0.02 -1.28 0.00 0.00 -0.44 0.00 0.00 34.13 32.39 2jqy s GLU 52 CO 0.02 0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.92 2jqy n GLY 53 N 0.87 3.88 3.55 -3.83 0.00 -1.25 -4.45 105.19 103.96 2jqy n GLY 53 Ca -0.18 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2jqy n GLY 53 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jqy s PRO 54 N -2.37 2.75 -0.31 1.61 0.04 -1.26 -4.23 135.00 131.23 2jqy s PRO 54 Ca 0.00 0.32 -0.02 0.00 0.04 0.00 0.00 61.00 61.34 2jqy s PRO 54 Cb 0.00 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2jqy s PRO 54 CO 0.00 -2.66 0.07 0.28 0.04 0.00 0.00 177.00 174.73 2jqy n VAL 55 N 7.10-11.49 -3.57 -0.36 0.31 -1.26 -5.08 118.33 103.98 2jqy n VAL 55 Ca 0.19 1.66 -0.12 0.00 -0.01 0.00 0.00 64.34 66.05 2jqy n VAL 55 Cb 0.51 -6.85 -0.04 0.00 -0.91 0.00 0.00 33.84 26.54 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 -1.68 -0.38 -0.10 4.52 1.11 -1.26 -5.06 116.67 113.81 2jqy s ASP 56 Ca 0.03 -0.06 0.04 0.00 0.18 0.00 0.00 52.55 52.74 2jqy s ASP 56 Cb -0.01 0.51 0.12 0.00 1.07 0.00 0.00 42.92 44.60 2jqy s ASP 56 CO 0.75 -0.82 1.11 0.00 1.18 0.00 0.00 175.17 177.39 2jqy n TYR 57 N 0.00 -0.58 -3.18 4.23 0.18 -1.26 -5.03 117.16 111.52 2jqy n TYR 57 Ca -0.17 -0.82 -0.40 0.00 1.88 0.00 0.00 57.90 58.40 2jqy n TYR 57 Cb 0.63 0.79 -0.06 0.00 -0.38 0.00 0.00 39.34 40.32 2jqy n TYR 57 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2jqy s SER 58 N -0.99 6.65 -0.42 9.48 0.15 -1.26 -4.97 113.70 122.34 2jqy s SER 58 Ca 0.03 0.79 -0.01 0.00 0.70 0.00 0.00 55.95 57.45 2jqy s SER 58 Cb 0.13 -2.32 0.20 0.00 -1.71 0.00 0.00 66.02 62.32 2jqy s SER 58 CO -0.04 -0.21 0.94 0.00 1.20 0.00 0.00 173.24 175.14 2jqy n ALA 59 N 4.77 -2.95 -0.11 5.45 0.00 -1.26 -4.38 120.51 122.02 2jqy n ALA 59 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2jqy n ALA 59 Cb 0.50 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2jqy n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqy n GLY 60 N 2.71 -1.69 0.06 0.00 0.00 -1.26 -5.01 105.19 100.01 2jqy n GLY 60 Ca 0.14 0.42 -0.06 0.00 0.00 0.00 0.00 46.02 46.52 2jqy n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqy n LYS 61 N -2.33 1.83 -3.84 1.61 4.81 -1.26 -5.02 118.16 113.95 2jqy n LYS 61 Ca 0.00 0.01 -0.26 0.00 -0.87 0.00 0.00 58.31 57.20 2jqy n LYS 61 Cb 0.00 -1.27 -0.03 0.00 0.02 0.00 0.00 35.03 33.75 2jqy n LYS 61 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2jqy s ARG 62 N -2.26 3.47 -0.19 1.64 0.52 -1.26 -5.07 118.95 115.80 2jqy s ARG 62 Ca -0.08 -0.53 -0.19 0.00 -0.52 0.00 0.00 55.73 54.41 2jqy s ARG 62 Cb 0.03 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 2jqy s ARG 62 CO 0.41 0.45 0.53 0.20 0.02 0.00 0.00 175.30 176.91 2jqy s GLY 63 N -3.35 2.12 0.83 -3.53 0.00 -1.25 -4.54 107.32 97.60 2jqy s GLY 63 Ca 0.36 -0.35 -0.06 0.00 0.00 0.00 0.00 44.72 44.67 2jqy s GLY 63 CO 0.29 1.07 1.14 -1.08 0.00 0.00 0.00 173.10 174.52 2jqy s THR 64 N 1.53 2.02 -0.58 0.90 -1.32 -1.26 -1.44 115.64 115.49 2jqy s THR 64 Ca 0.25 -0.40 -0.26 0.00 -1.21 0.00 0.00 61.69 60.07 2jqy s THR 64 Cb -0.15 -2.62 -0.09 0.00 -1.51 0.00 0.00 72.50 68.13 2jqy s THR 64 CO 0.10 0.00 2.42 1.87 -2.21 0.00 0.00 174.62 176.80 2jqy n TRP 65 N -3.22 1.35 -2.41 9.09 -0.00 -1.26 -4.10 117.44 116.88 2jqy n TRP 65 Ca 0.17 0.08 -0.02 0.00 -0.00 0.00 0.00 57.50 57.72 2jqy n TRP 65 Cb 0.60 -2.64 -0.02 0.00 -0.00 0.00 0.00 31.31 29.26 2jqy n TRP 65 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2jqy n PHE 66 N 16.82 -4.66 -3.53 5.87 3.01 -1.26 -3.61 117.46 130.10 2jqy n PHE 66 Ca 0.40 2.75 -0.37 0.00 1.01 0.00 0.00 57.45 61.24 2jqy n PHE 66 Cb 0.51 -3.85 -0.08 0.00 -0.01 0.00 0.00 39.48 36.05 2jqy n PHE 66 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jqy s ASP 67 N -0.61 6.28 -0.52 4.37 1.11 -1.26 -4.49 116.67 121.55 2jqy s ASP 67 Ca -0.10 0.32 0.04 0.00 0.18 0.00 0.00 52.55 52.99 2jqy s ASP 67 Cb 0.01 -2.17 0.17 0.00 1.07 0.00 0.00 42.92 42.00 2jqy s ASP 67 CO 0.27 0.01 0.39 -0.60 1.18 0.00 0.00 175.17 176.42 2jqy s ARG 68 N 1.12 1.48 0.27 8.23 3.00 -1.02 -1.28 118.95 130.75 2jqy s ARG 68 Ca 0.13 -2.56 -0.30 0.00 -1.00 0.00 0.00 55.73 52.00 2jqy s ARG 68 Cb -0.14 -2.17 -0.11 0.00 0.00 0.00 0.00 34.95 32.53 2jqy s ARG 68 CO 0.06 -1.34 1.57 -2.14 0.00 0.00 0.00 175.30 173.44 2jqy s PRO 69 N -0.48 4.16 -0.17 5.12 0.02 -1.24 -2.73 135.00 139.68 2jqy s PRO 69 Ca 0.29 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.81 2jqy s PRO 69 Cb -0.00 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.46 2jqy s PRO 69 CO -0.18 -0.60 -0.13 -1.21 -0.33 0.00 0.00 177.00 174.55 2jqy s GLU 70 N -0.19 3.23 0.16 5.54 0.41 0.63 -3.54 118.70 124.94 2jqy s GLU 70 Ca 0.64 -0.73 0.09 0.00 -0.41 0.00 0.00 54.97 54.57 2jqy s GLU 70 Cb -0.46 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 29.14 2jqy s GLU 70 CO 0.44 -0.06 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.43 2jqy s LEU 71 N 1.02 2.41 -0.13 1.80 1.02 -0.77 -0.37 118.68 123.66 2jqy s LEU 71 Ca -0.01 -0.83 -0.19 0.00 0.02 0.00 0.00 54.13 53.12 2jqy s LEU 71 Cb -0.15 -0.95 0.05 0.00 0.02 0.00 0.00 46.19 45.16 2jqy s LEU 71 CO -0.03 0.04 0.49 -1.61 0.02 0.00 0.00 176.35 175.26 2jqy s GLU 72 N -2.58 0.68 -0.13 1.70 2.02 0.11 -2.43 118.70 118.08 2jqy s GLU 72 Ca 0.16 0.45 -0.05 0.00 0.02 0.00 0.00 54.97 55.55 2jqy s GLU 72 Cb -0.07 0.32 0.06 0.00 0.10 0.00 0.00 34.13 34.54 2jqy s GLU 72 CO 0.07 -0.13 0.27 0.54 0.02 0.00 0.00 175.26 176.02 2jqy s VAL 73 N -0.29 -0.41 -0.39 2.63 0.11 0.31 -1.21 120.40 121.15 2jqy s VAL 73 Ca -0.04 0.27 -0.15 0.00 -2.93 0.00 0.00 61.98 59.13 2jqy s VAL 73 Cb -0.03 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2jqy s VAL 73 CO 0.03 0.11 0.33 -1.00 -3.33 0.00 0.00 175.10 171.24 2jqy s HIS 74 N 2.38 3.22 -0.30 1.54 3.76 -1.02 -1.52 115.29 123.34 2jqy s HIS 74 Ca 0.01 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 2jqy s HIS 74 Cb -0.12 -2.64 0.08 0.00 1.11 0.00 0.00 32.58 31.01 2jqy s HIS 74 CO -0.09 -0.54 -0.03 -0.47 -0.85 0.00 0.00 174.74 172.76 2jqy s TYR 75 N 1.84 3.50 -0.16 1.40 5.04 -1.11 -2.72 117.35 125.14 2jqy s TYR 75 Ca 0.08 -2.64 -0.20 0.00 -2.44 0.00 0.00 57.07 51.87 2jqy s TYR 75 Cb -0.18 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.70 2jqy s TYR 75 CO 0.11 -0.91 0.59 -0.65 -1.34 0.00 0.00 175.55 173.35 2jqy s GLN 76 N 1.01 4.28 -0.02 4.97 -0.21 -1.25 -1.70 119.66 126.73 2jqy s GLN 76 Ca 0.00 0.59 -0.15 0.00 0.02 0.00 0.00 55.36 55.83 2jqy s GLN 76 Cb -0.20 -3.52 -0.33 0.00 1.00 0.00 0.00 33.01 29.97 2jqy s GLN 76 CO -0.06 -0.08 0.82 0.74 -2.12 0.00 0.00 175.29 174.59 2jqy h PHE 77 N 7.18 0.79 -3.12 0.91 -1.00 -0.68 -3.46 116.94 117.56 2jqy h PHE 77 Ca -0.36 -0.58 -0.28 0.00 2.81 0.00 0.00 57.97 59.57 2jqy h PHE 77 Cb 1.16 -0.03 -0.35 0.00 3.61 0.00 0.00 35.95 40.34 2jqy h PHE 77 CO 0.68 1.58 -0.62 -1.17 -1.61 0.00 0.00 178.31 177.17 2jqy s LEU 78 N -7.52 0.11 -0.54 1.54 2.96 -1.12 -4.97 118.68 109.14 2jqy s LEU 78 Ca -0.13 0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 53.93 2jqy s LEU 78 Cb 0.04 0.32 0.08 0.00 0.50 0.00 0.00 46.19 47.13 2jqy s LEU 78 CO 0.88 -0.22 0.62 -1.83 -1.32 0.00 0.00 176.35 174.49 2jqy s GLU 79 N 2.02 3.07 -0.30 1.98 -1.05 -1.26 -1.93 118.70 121.23 2jqy s GLU 79 Ca -0.00 -1.15 -0.11 0.00 -0.15 0.00 0.00 54.97 53.55 2jqy s GLU 79 Cb -0.12 -4.18 0.12 0.00 -0.44 0.00 0.00 34.13 29.51 2jqy s GLU 79 CO -0.06 -1.33 0.66 1.21 0.95 0.00 0.00 175.26 176.69 2jqy s ASN 80 N 3.10 -1.10 0.60 0.83 2.47 -1.24 -4.97 114.94 114.63 2jqy s ASN 80 Ca 0.12 1.56 0.29 0.00 0.42 0.00 0.00 52.86 55.24 2jqy s ASN 80 Cb -0.22 2.09 1.62 0.00 -1.45 0.00 0.00 41.25 43.29 2jqy s ASN 80 CO 0.09 -0.22 2.04 -0.78 -3.72 0.00 0.00 177.10 174.50 2jqy h ASP 81 N 7.76 0.00 0.29 -4.21 3.58 -1.94 0.61 116.42 122.51 2jqy h ASP 81 Ca -0.21 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 56.92 2jqy h ASP 81 Cb 1.13 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.13 2jqy h ASP 81 CO 0.11 0.00 -1.97 0.47 -2.88 0.00 0.00 179.24 174.98 2jqy n ASP 82 N -3.70 0.77 -3.30 2.28 9.92 -1.26 -1.60 116.55 119.66 2jqy n ASP 82 Ca 0.03 0.25 -0.24 0.00 -0.53 0.00 0.00 54.79 54.30 2jqy n ASP 82 Cb 0.42 0.17 -0.08 0.00 -0.64 0.00 0.00 41.12 40.98 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 -3.00 -1.20 -3.86 1.24 3.72 -0.24 -4.38 117.46 109.74 2jqy n PHE 83 Ca -0.24 -3.12 -0.35 0.00 -0.05 0.00 0.00 57.45 53.69 2jqy n PHE 83 Cb 1.08 0.33 -0.10 0.00 -0.94 0.00 0.00 39.48 39.86 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 -0.04 5.82 -0.28 4.37 0.15 0.04 -3.72 113.70 120.04 2jqy s SER 84 Ca 0.33 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2jqy s SER 84 Cb 0.05 -2.02 0.08 0.00 -1.71 0.00 0.00 66.02 62.43 2jqy s SER 84 CO -0.18 0.14 0.04 0.12 1.20 0.00 0.00 173.24 174.56 2jqy s PHE 85 N 0.61 2.26 0.57 3.44 5.36 -0.81 -2.89 117.98 126.51 2jqy s PHE 85 Ca 0.05 -1.91 0.06 0.00 -0.96 0.00 0.00 56.93 54.17 2jqy s PHE 85 Cb -0.13 -1.85 0.05 0.00 -0.34 0.00 0.00 43.02 40.76 2jqy s PHE 85 CO 0.01 -0.83 0.47 0.20 -1.46 0.00 0.00 175.22 173.60 2jqy s GLY 86 N 1.43 2.31 -0.29 13.12 0.00 0.18 0.09 107.32 124.16 2jqy s GLY 86 Ca 0.04 -1.28 -0.00 0.00 0.00 0.00 0.00 44.72 43.48 2jqy s GLY 86 CO -0.14 -1.93 0.55 -2.27 0.00 0.00 0.00 173.10 169.31 2jqy s LEU 87 N -4.36 -1.28 0.60 0.66 2.96 -0.69 -1.17 118.68 115.40 2jqy s LEU 87 Ca 0.36 0.60 -0.15 0.00 -0.22 0.00 0.00 54.13 54.73 2jqy s LEU 87 Cb -0.03 1.93 -0.03 0.00 0.50 0.00 0.00 46.19 48.55 2jqy s LEU 87 CO 0.23 -0.28 1.05 -0.89 -1.32 0.00 0.00 176.35 175.14 2jqy s THR 88 N 2.79 4.00 -0.26 3.68 2.01 0.17 -2.73 115.64 125.30 2jqy s THR 88 Ca 0.17 0.87 -0.02 0.00 0.31 0.00 0.00 61.69 63.03 2jqy s THR 88 Cb -0.14 -3.46 0.15 0.00 0.01 0.00 0.00 72.50 69.06 2jqy s THR 88 CO -0.21 -0.63 0.44 -0.83 -0.69 0.00 0.00 174.62 172.69 2jqy s GLY 89 N -3.09 -0.59 0.30 4.40 0.00 -0.58 -2.85 107.32 104.91 2jqy s GLY 89 Ca 0.61 1.07 0.05 0.00 0.00 0.00 0.00 44.72 46.46 2jqy s GLY 89 CO 0.40 2.90 -0.01 -0.32 0.00 0.00 0.00 173.10 176.07 2jqy s GLY 90 N 2.63 1.95 -0.02 0.20 0.00 0.26 0.11 107.32 112.45 2jqy s GLY 90 Ca 0.14 -1.98 -0.00 0.00 0.00 0.00 0.00 44.72 42.88 2jqy s GLY 90 CO -0.19 -1.84 0.03 -0.12 0.00 0.00 0.00 173.10 170.98 2jqy s PHE 91 N -3.11 0.04 0.09 1.90 2.19 -1.02 -2.16 117.98 115.91 2jqy s PHE 91 Ca 0.32 0.13 0.08 0.00 0.33 0.00 0.00 56.93 57.80 2jqy s PHE 91 Cb 0.06 -0.26 -0.03 0.00 -1.31 0.00 0.00 43.02 41.48 2jqy s PHE 91 CO 0.13 -0.10 -0.20 1.03 1.83 0.00 0.00 175.22 177.91 2jqy s ARG 92 N 1.15 1.13 -0.31 10.12 3.00 -0.72 -1.85 118.95 131.47 2jqy s ARG 92 Ca -0.08 -1.12 0.01 0.00 0.00 0.00 0.00 55.73 54.53 2jqy s ARG 92 Cb -0.13 -1.36 0.14 0.00 0.00 0.00 0.00 34.95 33.60 2jqy s ARG 92 CO -0.03 0.32 0.32 1.21 0.00 0.00 0.00 175.30 177.12 2jqy s ASN 93 N -1.82 1.46 -0.44 0.23 2.47 -1.23 -2.12 114.94 113.49 2jqy s ASN 93 Ca 0.06 -0.92 -0.24 0.00 0.42 0.00 0.00 52.86 52.18 2jqy s ASN 93 Cb -0.10 0.57 0.02 0.00 -1.45 0.00 0.00 41.25 40.29 2jqy s ASN 93 CO 0.04 -0.36 0.83 -0.47 -3.72 0.00 0.00 177.10 173.42 2jqy s TYR 94 N 2.16 2.99 0.00 0.43 6.14 -0.93 -3.66 117.35 124.48 2jqy s TYR 94 Ca 0.11 0.28 0.00 0.00 0.64 0.00 0.00 57.07 58.11 2jqy s TYR 94 Cb -0.14 -3.72 0.00 0.00 0.42 0.00 0.00 41.96 38.52 2jqy s TYR 94 CO -0.26 -0.99 0.00 0.41 0.64 0.00 0.00 175.55 175.35 2jqy n GLY 95 N 4.90 1.83 3.47 8.97 0.00 -0.40 -1.89 105.19 122.07 2jqy n GLY 95 Ca 0.04 -2.17 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 2jqy n GLY 95 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jqy s TYR 96 N -1.52 -0.58 0.66 1.61 6.14 0.29 -4.29 117.35 119.66 2jqy s TYR 96 Ca 0.00 1.01 -0.11 0.00 0.64 0.00 0.00 57.07 58.60 2jqy s TYR 96 Cb 0.00 0.35 0.15 0.00 0.42 0.00 0.00 41.96 42.88 2jqy s TYR 96 CO 0.00 -0.56 0.87 -2.39 0.64 0.00 0.00 175.55 174.11 2jqy n HIS 97 N 1.05 -3.97 -4.07 4.97 1.44 -1.26 -2.12 115.22 111.25 2jqy n HIS 97 Ca -0.19 -0.77 -0.32 0.00 -2.01 0.00 0.00 57.72 54.43 2jqy n HIS 97 Cb 0.57 -0.69 -0.15 0.00 0.12 0.00 0.00 29.99 29.84 2jqy n HIS 97 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2jqy s TYR 98 N -2.89 2.96 -0.09 -1.40 1.13 -1.26 -4.76 117.35 111.05 2jqy s TYR 98 Ca 0.50 -1.98 0.15 0.00 -1.41 0.00 0.00 57.07 54.32 2jqy s TYR 98 Cb -0.02 -1.88 -0.23 0.00 -1.10 0.00 0.00 41.96 38.74 2jqy s TYR 98 CO 0.35 -0.83 0.50 1.55 -2.51 0.00 0.00 175.55 174.61 2jqy n VAL 99 N 4.54 1.50 0.00 -3.49 3.14 -1.26 -4.88 118.33 117.88 2jqy n VAL 99 Ca -0.16 -0.80 0.00 0.00 -2.96 0.00 0.00 64.34 60.41 2jqy n VAL 99 Cb 0.45 -0.84 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 2jqy n VAL 99 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2jqy n ASP 100 N -2.94 0.00 0.04 6.55 8.00 -1.26 -5.07 116.55 121.87 2jqy n ASP 100 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2jqy n ASP 100 Cb 1.06 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 2jqy n ASP 100 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jqy n GLU 101 N -1.89 0.00 -1.77 -1.24 1.02 -1.26 -5.14 120.64 110.36 2jqy n GLU 101 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 2jqy n GLU 101 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2jqy n GLU 101 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2jqy s PRO 102 N -2.00 4.09 0.00 3.49 0.02 -1.26 -4.48 135.00 134.86 2jqy s PRO 102 Ca 0.00 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.62 2jqy s PRO 102 Cb 0.00 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.55 2jqy s PRO 102 CO 0.00 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2jqy n GLY 103 N 0.77 0.88 5.14 0.52 0.00 -0.52 -3.93 105.19 108.05 2jqy n GLY 103 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 1.61 4.81 -1.26 -4.30 118.16 119.02 2jqy n LYS 104 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jqy n LYS 104 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2jqy n LYS 104 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jqy n ASP 105 N 1.56 0.00 -3.64 3.14 2.03 -1.26 -5.12 116.55 113.25 2jqy n ASP 105 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2jqy n ASP 105 Cb 0.00 0.03 -0.07 0.00 -0.72 0.00 0.00 41.12 40.36 2jqy n ASP 105 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jqy s THR 106 N -0.52 -0.02 -0.30 5.18 2.01 -1.25 -4.02 115.64 116.73 2jqy s THR 106 Ca 0.00 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 2jqy s THR 106 Cb 0.00 -1.00 0.18 0.00 0.01 0.00 0.00 72.50 71.69 2jqy s THR 106 CO 0.00 0.00 1.28 0.00 -0.69 0.00 0.00 174.62 175.21 2jqy s ALA 107 N 1.57 -2.33 -0.29 7.40 0.00 -0.90 -4.81 121.76 122.40 2jqy s ALA 107 Ca -0.10 1.85 0.02 0.00 0.00 0.00 0.00 51.96 53.74 2jqy s ALA 107 Cb -0.05 -1.79 0.17 0.00 0.00 0.00 0.00 23.12 21.45 2jqy s ALA 107 CO -0.18 -0.21 0.48 1.21 0.00 0.00 0.00 175.76 177.06 2jqy s ASN 108 N 0.50 -0.47 -0.28 0.00 3.84 -1.22 0.11 114.94 117.43 2jqy s ASN 108 Ca 0.00 0.01 0.01 0.00 0.21 0.00 0.00 52.86 53.10 2jqy s ASN 108 Cb -0.04 1.52 0.08 0.00 -0.55 0.00 0.00 41.25 42.26 2jqy s ASN 108 CO -0.13 -0.32 0.01 -0.04 -2.79 0.00 0.00 177.10 173.83 2jqy s MET 109 N 2.67 1.38 0.08 0.43 -1.94 -0.79 -3.66 119.30 117.46 2jqy s MET 109 Ca 0.11 -1.21 -0.26 0.00 -1.71 0.00 0.00 55.69 52.62 2jqy s MET 109 Cb -0.12 -2.60 -0.06 0.00 2.01 0.00 0.00 34.83 34.06 2jqy s MET 109 CO -0.26 -0.77 0.81 -0.65 -0.01 0.00 0.00 175.02 174.15 2jqy s GLN 110 N 1.33 4.56 -0.08 2.03 -0.21 -0.87 -2.19 119.66 124.22 2jqy s GLN 110 Ca 0.02 1.17 -0.03 0.00 0.02 0.00 0.00 55.36 56.54 2jqy s GLN 110 Cb -0.19 -3.35 0.05 0.00 1.00 0.00 0.00 33.01 30.52 2jqy s GLN 110 CO -0.11 0.32 0.16 0.50 -2.12 0.00 0.00 175.29 174.04 2jqy s ARG 111 N -0.24 0.05 0.39 2.91 3.52 -0.90 0.11 118.95 124.80 2jqy s ARG 111 Ca 0.40 0.54 -0.08 0.00 -0.13 0.00 0.00 55.73 56.46 2jqy s ARG 111 Cb -0.22 -0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 32.88 2jqy s ARG 111 CO 0.25 -0.28 0.72 -1.58 -0.81 0.00 0.00 175.30 173.60 2jqy s TRP 112 N 2.10 3.49 -0.14 5.12 0.51 -0.84 -1.75 118.94 127.42 2jqy s TRP 112 Ca 0.01 0.90 -0.04 0.00 -2.12 0.00 0.00 56.10 54.84 2jqy s TRP 112 Cb -0.12 -2.33 0.06 0.00 -0.81 0.00 0.00 33.47 30.27 2jqy s TRP 112 CO -0.06 -0.08 0.13 0.21 -0.51 0.00 0.00 176.95 176.65 2jqy s LYS 113 N -3.98 0.07 0.01 4.98 2.36 -0.92 -2.75 119.74 119.51 2jqy s LYS 113 Ca 0.49 0.20 0.02 0.00 -2.55 0.00 0.00 55.97 54.13 2jqy s LYS 113 Cb -0.10 -1.13 -0.01 0.00 -1.05 0.00 0.00 37.83 35.53 2jqy s LYS 113 CO 0.34 -0.54 -0.06 0.96 1.55 0.00 0.00 175.35 177.60 2jqy s ILE 114 N 2.23 0.49 -0.25 5.43 -4.36 -0.82 0.92 121.20 124.83 2jqy s ILE 114 Ca 0.04 -0.49 -0.02 0.00 -0.26 0.00 0.00 60.65 59.92 2jqy s ILE 114 Cb -0.14 -0.46 0.13 0.00 1.25 0.00 0.00 42.46 43.24 2jqy s ILE 114 CO -0.08 -0.02 0.34 0.00 0.24 0.00 0.00 174.94 175.42 2jqy s ALA 115 N -0.49 -0.87 -0.79 2.27 0.00 -1.13 -2.42 121.76 118.32 2jqy s ALA 115 Ca -0.01 0.51 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 2jqy s ALA 115 Cb -0.04 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2jqy s ALA 115 CO 0.00 -1.39 1.95 -1.25 0.00 0.00 0.00 175.76 175.07 2jqy s PRO 116 N 2.48 2.52 0.28 0.00 0.04 -1.26 0.45 135.00 139.51 2jqy s PRO 116 Ca 0.11 0.09 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 2jqy s PRO 116 Cb -0.15 -4.82 -0.13 0.00 0.04 0.00 0.00 34.50 29.45 2jqy s PRO 116 CO -0.20 -3.22 1.40 -3.47 0.04 0.00 0.00 177.00 171.55 2jqy n ASP 117 N 13.86 2.93 -3.71 6.66 2.03 -0.32 -4.46 116.55 133.55 2jqy n ASP 117 Ca 0.34 1.17 -0.19 0.00 0.52 0.00 0.00 54.79 56.63 2jqy n ASP 117 Cb 0.49 -1.47 -0.17 0.00 -0.72 0.00 0.00 41.12 39.24 2jqy n ASP 117 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2jqy s TRP 118 N -0.40 0.09 -0.16 -0.67 -0.11 -0.64 0.51 118.94 117.57 2jqy s TRP 118 Ca 0.63 0.20 -0.01 0.00 1.22 0.00 0.00 56.10 58.14 2jqy s TRP 118 Cb -0.60 -0.43 0.04 0.00 -1.50 0.00 0.00 33.47 30.99 2jqy s TRP 118 CO 0.54 -0.17 -0.02 -0.51 -4.62 0.00 0.00 176.95 172.17 2jqy s ASP 119 N 1.84 2.61 -0.12 5.86 1.11 -1.14 0.58 116.67 127.40 2jqy s ASP 119 Ca 0.01 -0.60 0.01 0.00 0.18 0.00 0.00 52.55 52.16 2jqy s ASP 119 Cb -0.12 -0.72 0.02 0.00 1.07 0.00 0.00 42.92 43.16 2jqy s ASP 119 CO -0.03 -0.22 -0.15 -0.69 1.18 0.00 0.00 175.17 175.26 2jqy s VAL 120 N 1.77 1.53 -0.27 -1.27 1.01 -1.06 -2.69 120.40 119.41 2jqy s VAL 120 Ca 0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 2jqy s VAL 120 Cb -0.15 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.83 2jqy s VAL 120 CO -0.07 0.45 0.04 -0.75 0.00 0.00 0.00 175.10 174.76 2jqy s LYS 121 N 1.10 3.10 -0.01 2.72 2.20 -0.63 -1.17 119.74 127.06 2jqy s LYS 121 Ca -0.04 -0.83 0.15 0.00 -0.36 0.00 0.00 55.97 54.88 2jqy s LYS 121 Cb -0.14 -3.25 -0.19 0.00 -1.51 0.00 0.00 37.83 32.73 2jqy s LYS 121 CO -0.04 -0.39 0.69 -0.11 -0.36 0.00 0.00 175.35 175.14 2jqy n LEU 122 N 4.82 0.81 0.00 5.43 0.00 -1.25 -4.73 117.00 122.08 2jqy n LEU 122 Ca -0.15 0.37 -0.01 0.00 0.00 0.00 0.00 56.01 56.22 2jqy n LEU 122 Cb 0.48 0.15 0.00 0.00 0.00 0.00 0.00 43.42 44.05 2jqy n LEU 122 CO 0.30 0.29 0.12 0.35 0.00 0.00 0.00 177.39 178.46 2jqy n THR 123 N -2.95 0.00 -0.52 1.96 -2.24 -1.25 -5.02 114.28 104.25 2jqy n THR 123 Ca -0.15 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 2jqy n THR 123 Cb 0.96 0.15 0.15 0.00 -2.10 0.00 0.00 70.33 69.49 2jqy n THR 123 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jqy n ASP 124 N -0.86 3.62 0.00 3.42 9.92 -1.26 -4.12 116.55 127.27 2jqy n ASP 124 Ca -0.01 -3.06 0.00 0.00 -0.53 0.00 0.00 54.79 51.20 2jqy n ASP 124 Cb 0.10 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 2jqy n ASP 124 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2jqy n ASP 125 N -0.51 0.96 -4.50 -2.24 8.00 -1.26 -4.96 116.55 112.03 2jqy n ASP 125 Ca 0.39 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.55 2jqy n ASP 125 Cb 1.27 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 42.24 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jqy s LEU 126 N -3.90 3.05 -0.05 0.64 1.43 -1.26 -3.12 118.68 115.47 2jqy s LEU 126 Ca 0.00 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2jqy s LEU 126 Cb 0.00 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 2jqy s LEU 126 CO 0.00 0.27 -0.18 -0.13 0.23 0.00 0.00 176.35 176.53 2jqy s ARG 127 N -0.24 2.01 -0.04 1.70 3.00 -0.99 -3.92 118.95 120.46 2jqy s ARG 127 Ca 0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 55.73 55.09 2jqy s ARG 127 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 34.95 33.09 2jqy s ARG 127 CO 0.03 0.23 0.05 -0.06 0.00 0.00 0.00 175.30 175.55 2jqy s PHE 128 N 0.12 3.25 -0.10 -0.53 0.40 -0.32 -2.37 117.98 118.43 2jqy s PHE 128 Ca -0.07 0.22 -0.04 0.00 -0.60 0.00 0.00 56.93 56.45 2jqy s PHE 128 Cb -0.13 -1.76 0.05 0.00 0.51 0.00 0.00 43.02 41.69 2jqy s PHE 128 CO 0.03 0.54 0.17 1.21 0.70 0.00 0.00 175.22 177.87 2jqy s ASN 129 N -1.39 0.80 -0.24 1.36 3.84 0.38 -2.56 114.94 117.13 2jqy s ASN 129 Ca 0.19 0.29 -0.07 0.00 0.21 0.00 0.00 52.86 53.48 2jqy s ASN 129 Cb -0.12 0.32 -0.03 0.00 -0.55 0.00 0.00 41.25 40.87 2jqy s ASN 129 CO 0.09 -0.25 0.06 -0.83 -2.79 0.00 0.00 177.10 173.37 2jqy s GLY 130 N 2.31 1.75 -0.17 1.21 0.00 0.20 -0.72 107.32 111.89 2jqy s GLY 130 Ca 0.03 -1.11 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 2jqy s GLY 130 CO -0.07 0.49 -0.06 0.86 0.00 0.00 0.00 173.10 174.33 2jqy s TRP 131 N 1.52 1.79 -0.34 1.90 -0.11 0.26 -1.61 118.94 122.34 2jqy s TRP 131 Ca 0.06 -1.15 -0.10 0.00 1.22 0.00 0.00 56.10 56.13 2jqy s TRP 131 Cb -0.15 -1.35 0.02 0.00 -1.50 0.00 0.00 33.47 30.48 2jqy s TRP 131 CO 0.03 -0.63 0.17 -1.17 -4.62 0.00 0.00 176.95 170.72 2jqy s LEU 132 N 1.60 4.42 -0.65 5.86 2.96 -1.26 0.64 118.68 132.26 2jqy s LEU 132 Ca 0.00 -0.83 -0.23 0.00 -0.22 0.00 0.00 54.13 52.85 2jqy s LEU 132 Cb -0.15 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.61 2jqy s LEU 132 CO -0.08 -0.30 0.99 -0.55 -1.32 0.00 0.00 176.35 175.09 2jqy s SER 133 N 1.55 6.20 -0.03 3.68 0.15 0.15 -3.98 113.70 121.42 2jqy s SER 133 Ca 0.03 -0.83 0.07 0.00 0.70 0.00 0.00 55.95 55.92 2jqy s SER 133 Cb -0.18 -2.43 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 2jqy s SER 133 CO 0.06 -1.44 -0.25 -0.04 1.20 0.00 0.00 173.24 172.78 2jqy s MET 134 N 4.18 2.21 0.09 5.44 -1.94 -1.02 0.31 119.30 128.57 2jqy s MET 134 Ca 0.25 -0.88 -0.08 0.00 -1.71 0.00 0.00 55.69 53.26 2jqy s MET 134 Cb -0.15 -2.01 -0.00 0.00 2.01 0.00 0.00 34.83 34.67 2jqy s MET 134 CO 0.12 0.46 0.18 0.71 -0.01 0.00 0.00 175.02 176.49 2jqy s TYR 135 N -0.39 0.16 -0.30 -0.03 1.51 -0.98 -1.95 117.35 115.38 2jqy s TYR 135 Ca 0.04 -0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 55.47 2jqy s TYR 135 Cb -0.11 -0.07 0.11 0.00 -0.11 0.00 0.00 41.96 41.77 2jqy s TYR 135 CO 0.01 -0.53 0.15 0.15 -1.11 0.00 0.00 175.55 174.22 2jqy s LYS 136 N -3.83 0.24 0.62 -0.62 1.02 -1.11 -2.49 119.74 113.57 2jqy s LYS 136 Ca 0.05 -0.58 -0.12 0.00 0.02 0.00 0.00 55.97 55.35 2jqy s LYS 136 Cb 0.05 -1.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 2jqy s LYS 136 CO -0.11 -1.04 1.03 -0.06 -0.92 0.00 0.00 175.35 174.25 2jqy s PHE 137 N 2.02 3.51 0.11 3.18 0.08 -1.26 -1.99 117.98 123.63 2jqy s PHE 137 Ca 0.10 1.33 -0.25 0.00 0.12 0.00 0.00 56.93 58.23 2jqy s PHE 137 Cb -0.16 -2.76 0.08 0.00 -0.57 0.00 0.00 43.02 39.60 2jqy s PHE 137 CO -0.33 -0.76 0.72 0.00 -0.10 0.00 0.00 175.22 174.75 2jqy s ALA 138 N -3.09 -1.66 -0.29 5.36 0.00 0.12 -4.93 121.76 117.27 2jqy s ALA 138 Ca 0.56 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 2jqy s ALA 138 Cb -0.12 0.72 0.10 0.00 0.00 0.00 0.00 23.12 23.82 2jqy s ALA 138 CO 0.52 -0.77 0.11 -0.80 0.00 0.00 0.00 175.76 174.82 2jqy s ASN 139 N -2.67 3.71 0.00 0.00 0.02 -1.26 -2.06 114.94 112.67 2jqy s ASN 139 Ca 0.03 -1.41 0.00 0.00 -1.02 0.00 0.00 52.86 50.46 2jqy s ASN 139 Cb -0.01 -0.60 0.00 0.00 0.02 0.00 0.00 41.25 40.66 2jqy s ASN 139 CO -0.10 -0.42 0.00 -0.67 0.02 0.00 0.00 177.10 175.93 2jqy n ASP 140 N 5.05 0.00 -2.74 -1.22 -0.08 -1.24 -2.45 116.55 113.88 2jqy n ASP 140 Ca -0.04 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.22 2jqy n ASP 140 Cb 0.42 0.00 0.10 0.00 2.34 0.00 0.00 41.12 43.98 2jqy n ASP 140 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jqy n LEU 141 N 0.00 -0.27 -1.40 -2.67 -0.00 -1.26 -5.08 117.00 106.32 2jqy n LEU 141 Ca 0.00 -3.16 0.18 0.00 -0.00 0.00 0.00 56.01 53.03 2jqy n LEU 141 Cb 0.00 0.24 -0.07 0.00 -0.00 0.00 0.00 43.42 43.60 2jqy n LEU 141 CO 0.00 1.46 -0.45 0.59 -0.00 0.00 0.00 177.39 178.99 2jqy n ASN 142 N -1.14 -8.43 -0.00 1.45 4.13 -1.03 -4.88 115.26 105.36 2jqy n ASN 142 Ca -0.08 1.00 -0.00 0.00 1.68 0.00 0.00 54.58 57.19 2jqy n ASN 142 Cb 0.85 -4.54 -0.00 0.00 -1.54 0.00 0.00 39.78 34.55 2jqy n ASN 142 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2jqy n THR 143 N -4.26 0.06 -0.05 3.41 -2.24 -1.26 -4.84 114.28 105.09 2jqy n THR 143 Ca -0.04 0.49 -0.06 0.00 -2.27 0.00 0.00 64.05 62.17 2jqy n THR 143 Cb 0.65 -1.53 -0.06 0.00 -2.10 0.00 0.00 70.33 67.29 2jqy n THR 143 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jqy n THR 144 N -2.44 0.61 -0.55 4.28 -2.24 -1.26 -5.04 114.28 107.64 2jqy n THR 144 Ca -0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2jqy n THR 144 Cb 0.01 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 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 2.67 1.38 0.00 3.38 0.00 -1.26 -5.04 105.19 106.31 2jqy n GLY 145 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2jqy n GLY 145 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jqy n TYR 146 N -1.98 0.00 0.00 1.61 4.19 -1.26 -5.01 117.16 114.70 2jqy n TYR 146 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2jqy n TYR 146 Cb 0.12 -0.39 0.00 0.00 0.49 0.00 0.00 39.34 39.56 2jqy n TYR 146 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2jqy n ALA 147 N -1.68 0.00 -2.42 2.98 0.00 -1.26 -5.03 120.51 113.10 2jqy n ALA 147 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2jqy n ALA 147 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2jqy n ALA 147 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jqy n ASP 148 N -1.75 -5.53 -4.60 0.00 8.00 -1.26 -4.94 116.55 106.48 2jqy n ASP 148 Ca 0.00 0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.11 2jqy n ASP 148 Cb 0.00 -4.61 -0.06 0.00 -0.02 0.00 0.00 41.12 36.42 2jqy n ASP 148 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jqy s THR 149 N -2.96 4.91 -0.19 -3.53 2.01 -1.26 -4.49 115.64 110.13 2jqy s THR 149 Ca 0.00 0.85 -0.14 0.00 0.31 0.00 0.00 61.69 62.71 2jqy s THR 149 Cb -0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2jqy s THR 149 CO 0.01 -0.19 0.32 -0.13 -0.69 0.00 0.00 174.62 173.94 2jqy s ARG 150 N 2.67 4.20 -0.21 4.92 0.52 -1.04 -4.49 118.95 125.51 2jqy s ARG 150 Ca 0.26 0.08 -0.01 0.00 -0.52 0.00 0.00 55.73 55.54 2jqy s ARG 150 Cb -0.15 -3.49 0.06 0.00 0.52 0.00 0.00 34.95 31.89 2jqy s ARG 150 CO 0.12 0.09 0.01 0.54 0.02 0.00 0.00 175.30 176.08 2jqy s VAL 151 N 0.91 0.91 -0.01 3.52 0.11 -1.21 -2.31 120.40 122.32 2jqy s VAL 151 Ca 0.16 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 2jqy s VAL 151 Cb -0.14 -1.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 2jqy s VAL 151 CO 0.06 -0.19 -0.09 -0.70 -3.33 0.00 0.00 175.10 170.84 2jqy s GLU 152 N 1.68 2.52 -0.08 1.54 2.12 0.15 -3.12 118.70 123.51 2jqy s GLU 152 Ca -0.02 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.61 2jqy s GLU 152 Cb -0.18 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 2jqy s GLU 152 CO -0.08 0.61 -0.14 0.99 -0.54 0.00 0.00 175.26 176.09 2jqy s THR 153 N -0.92 3.00 -0.27 -1.70 2.01 -0.78 0.34 115.64 117.32 2jqy s THR 153 Ca 0.15 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 2jqy s THR 153 Cb -0.11 -2.20 0.09 0.00 0.01 0.00 0.00 72.50 70.28 2jqy s THR 153 CO 0.05 0.56 0.09 -1.61 -0.69 0.00 0.00 174.62 173.03 2jqy s GLU 154 N -0.29 0.53 -0.49 4.92 2.02 0.21 -1.71 118.70 123.89 2jqy s GLU 154 Ca 0.02 -0.71 -0.16 0.00 0.02 0.00 0.00 54.97 54.14 2jqy s GLU 154 Cb -0.13 -1.79 0.09 0.00 0.10 0.00 0.00 34.13 32.40 2jqy s GLU 154 CO 0.03 -0.89 0.43 0.95 0.02 0.00 0.00 175.26 175.80 2jqy s THR 155 N 1.83 5.21 -0.08 3.63 -4.23 -1.14 -0.57 115.64 120.29 2jqy s THR 155 Ca 0.06 -1.14 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 2jqy s THR 155 Cb -0.17 -4.19 -0.03 0.00 1.34 0.00 0.00 72.50 69.45 2jqy s THR 155 CO -0.23 -0.66 0.02 -0.83 -0.54 0.00 0.00 174.62 172.37 2jqy s GLY 156 N 2.85 1.89 -0.04 3.99 0.00 0.10 -2.15 107.32 113.95 2jqy s GLY 156 Ca 0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 2jqy s GLY 156 CO 0.06 -0.58 0.01 1.08 0.00 0.00 0.00 173.10 173.67 2jqy s LEU 157 N -0.99 0.79 -0.19 0.66 1.02 -1.04 -0.47 118.68 118.46 2jqy s LEU 157 Ca 0.14 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.28 2jqy s LEU 157 Cb -0.11 -0.26 0.02 0.00 0.02 0.00 0.00 46.19 45.86 2jqy s LEU 157 CO 0.04 -0.16 -0.18 0.00 0.02 0.00 0.00 176.35 176.07 2jqy s GLN 158 N 1.52 3.02 -0.08 1.70 -2.07 -1.00 -1.91 119.66 120.84 2jqy s GLN 158 Ca -0.03 -0.81 0.01 0.00 -1.82 0.00 0.00 55.36 52.71 2jqy s GLN 158 Cb -0.13 -2.63 0.02 0.00 -1.09 0.00 0.00 33.01 29.18 2jqy s GLN 158 CO -0.03 -0.21 -0.09 1.52 -1.32 0.00 0.00 175.29 175.16 2jqy s TYR 159 N 1.31 1.34 0.17 9.60 -0.85 -1.15 -2.36 117.35 125.42 2jqy s TYR 159 Ca 0.05 -0.57 -0.24 0.00 -0.52 0.00 0.00 57.07 55.80 2jqy s TYR 159 Cb -0.13 -1.08 -0.08 0.00 0.38 0.00 0.00 41.96 41.05 2jqy s TYR 159 CO -0.12 -0.37 0.75 0.95 -1.52 0.00 0.00 175.55 175.24 2jqy s THR 160 N 1.23 4.44 0.13 -3.49 -4.23 -1.18 -1.52 115.64 111.01 2jqy s THR 160 Ca -0.04 1.58 0.06 0.00 -1.18 0.00 0.00 61.69 62.10 2jqy s THR 160 Cb -0.14 -4.06 -0.20 0.00 1.34 0.00 0.00 72.50 69.44 2jqy s THR 160 CO -0.03 0.46 1.30 -0.26 -0.54 0.00 0.00 174.62 175.55 2jqy h PHE 161 N 4.14 0.07 -0.10 3.99 -1.00 -1.89 -3.38 116.94 118.78 2jqy h PHE 161 Ca -0.47 -0.05 -0.19 0.00 2.81 0.00 0.00 57.97 60.07 2jqy h PHE 161 Cb 1.20 -0.00 -0.33 0.00 3.61 0.00 0.00 35.95 40.43 2jqy h PHE 161 CO 0.64 1.00 -0.89 0.09 -1.61 0.00 0.00 178.31 177.55 2jqy n ASN 162 N -3.42 0.64 -2.85 2.17 3.02 -1.26 -5.04 115.26 108.52 2jqy n ASN 162 Ca -0.01 -2.02 -0.05 0.00 -0.03 0.00 0.00 54.58 52.47 2jqy n ASN 162 Cb 0.92 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.92 2jqy n ASN 162 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jqy n GLU 163 N 0.02 -1.97 0.00 3.52 -0.58 -1.26 -4.87 120.64 115.50 2jqy n GLU 163 Ca -0.01 1.87 0.00 0.00 -0.42 0.00 0.00 57.16 58.60 2jqy n GLU 163 Cb 0.98 -5.52 0.00 0.00 -0.57 0.00 0.00 31.44 26.32 2jqy n GLU 163 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2jqy n THR 164 N -0.74 0.00 -3.72 2.62 5.66 -1.26 -5.10 114.28 111.74 2jqy n THR 164 Ca 0.08 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.70 2jqy n THR 164 Cb 0.46 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.12 2jqy n THR 164 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2jqy s VAL 165 N 0.00 4.10 0.00 1.08 1.01 -1.26 -4.54 120.40 120.79 2jqy s VAL 165 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2jqy s VAL 165 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2jqy s VAL 165 CO 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 175.10 175.07 2jqy s ALA 166 N 1.50 3.36 -0.26 5.51 0.00 -1.24 -2.79 121.76 127.83 2jqy s ALA 166 Ca 0.01 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 2jqy s ALA 166 Cb -0.18 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2jqy s ALA 166 CO 0.04 0.66 0.46 -0.51 0.00 0.00 0.00 175.76 176.41 2jqy s LEU 167 N -1.66 4.05 -0.02 0.00 2.01 -0.58 -3.17 118.68 119.31 2jqy s LEU 167 Ca 0.21 0.43 -0.14 0.00 0.01 0.00 0.00 54.13 54.64 2jqy s LEU 167 Cb -0.12 -2.57 -0.05 0.00 0.01 0.00 0.00 46.19 43.46 2jqy s LEU 167 CO 0.12 -0.24 0.38 -0.60 1.01 0.00 0.00 176.35 177.02 2jqy s ARG 168 N 2.19 3.90 -0.28 1.70 3.52 0.29 -2.91 118.95 127.37 2jqy s ARG 168 Ca 0.19 0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 56.10 2jqy s ARG 168 Cb -0.16 -3.23 0.10 0.00 -1.56 0.00 0.00 34.95 30.10 2jqy s ARG 168 CO 0.09 0.66 0.13 0.14 -0.81 0.00 0.00 175.30 175.51 2jqy s VAL 169 N -0.94 -0.07 -0.12 7.11 -7.23 -0.80 -1.73 120.40 116.61 2jqy s VAL 169 Ca 0.23 -0.70 -0.06 0.00 -1.81 0.00 0.00 61.98 59.64 2jqy s VAL 169 Cb -0.16 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 2jqy s VAL 169 CO 0.12 -0.69 0.08 0.20 -0.31 0.00 0.00 175.10 174.51 2jqy s ASN 170 N 2.10 5.90 -0.29 4.85 0.01 -1.08 -2.49 114.94 123.94 2jqy s ASN 170 Ca 0.08 0.29 -0.01 0.00 -0.71 0.00 0.00 52.86 52.52 2jqy s ASN 170 Cb -0.16 -1.87 0.05 0.00 0.41 0.00 0.00 41.25 39.68 2jqy s ASN 170 CO -0.34 0.35 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.26 2jqy s TYR 171 N -0.69 3.25 0.04 2.20 1.51 -0.92 -2.58 117.35 120.16 2jqy s TYR 171 Ca 0.12 -1.94 -0.20 0.00 -1.01 0.00 0.00 57.07 54.04 2jqy s TYR 171 Cb -0.12 -2.07 -0.06 0.00 -0.11 0.00 0.00 41.96 39.60 2jqy s TYR 171 CO 0.03 -0.81 0.60 0.71 -1.11 0.00 0.00 175.55 174.96 2jqy s TYR 172 N 1.23 3.75 -0.19 2.71 1.51 -1.06 -2.89 117.35 122.40 2jqy s TYR 172 Ca -0.06 1.26 -0.04 0.00 -1.01 0.00 0.00 57.07 57.22 2jqy s TYR 172 Cb -0.20 -2.58 0.08 0.00 -0.11 0.00 0.00 41.96 39.15 2jqy s TYR 172 CO -0.02 0.45 0.15 -1.17 -1.11 0.00 0.00 175.55 173.85 2jqy s LEU 173 N -0.61 0.17 -0.24 -1.29 0.20 -0.69 -2.85 118.68 113.37 2jqy s LEU 173 Ca 0.31 -0.51 -0.11 0.00 0.69 0.00 0.00 54.13 54.51 2jqy s LEU 173 Cb -0.19 0.00 -0.05 0.00 -0.43 0.00 0.00 46.19 45.52 2jqy s LEU 173 CO 0.19 -0.35 0.18 -1.61 -0.29 0.00 0.00 176.35 174.47 2jqy s GLU 174 N 2.21 4.07 -0.00 1.98 0.41 -1.01 -1.87 118.70 124.49 2jqy s GLU 174 Ca 0.04 -0.23 -0.00 0.00 -0.41 0.00 0.00 54.97 54.37 2jqy s GLU 174 Cb -0.16 -3.55 0.00 0.00 -1.78 0.00 0.00 34.13 28.64 2jqy s GLU 174 CO -0.12 0.03 0.00 0.50 -0.49 0.00 0.00 175.26 175.19 2jqy s ARG 175 N 1.13 0.00 0.00 1.61 6.06 -1.18 -2.10 118.95 124.48 2jqy s ARG 175 Ca 0.08 0.01 0.00 0.00 -2.50 0.00 0.00 55.73 53.32 2jqy s ARG 175 Cb -0.14 -0.00 0.00 0.00 0.06 0.00 0.00 34.95 34.87 2jqy s ARG 175 CO 0.05 -0.00 0.00 0.41 -2.50 0.00 0.00 175.30 173.26 2jqy n GLY 176 N 3.09 0.55 3.42 8.12 0.00 -1.25 -3.31 105.19 115.81 2jqy n GLY 176 Ca -0.12 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 2jqy n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jqy s PHE 177 N -3.61 2.91 -0.08 1.61 0.40 -1.26 -3.11 117.98 114.83 2jqy s PHE 177 Ca 0.00 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 2jqy s PHE 177 Cb 0.00 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 2jqy s PHE 177 CO 0.00 -0.16 -0.15 1.21 0.70 0.00 0.00 175.22 176.83 2jqy s ASN 178 N 0.42 3.95 0.10 1.36 3.84 -1.26 -4.82 114.94 118.52 2jqy s ASN 178 Ca -0.07 -0.27 0.00 0.00 0.21 0.00 0.00 52.86 52.73 2jqy s ASN 178 Cb -0.15 -1.15 0.00 0.00 -0.55 0.00 0.00 41.25 39.39 2jqy s ASN 178 CO 0.04 0.27 0.00 0.80 -2.79 0.00 0.00 177.10 175.42 2jqy n MET 179 N 2.84 -5.13 -3.92 0.43 1.56 -1.26 -4.79 117.12 106.85 2jqy n MET 179 Ca -0.18 3.71 -0.28 0.00 -0.27 0.00 0.00 57.70 60.68 2jqy n MET 179 Cb 0.52 -4.34 -0.17 0.00 2.15 0.00 0.00 33.22 31.38 2jqy n MET 179 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2jqy s ASP 180 N -0.54 2.54 0.00 6.12 1.11 -1.26 -4.52 116.67 120.12 2jqy s ASP 180 Ca 0.00 -0.48 0.00 0.00 0.18 0.00 0.00 52.55 52.25 2jqy s ASP 180 Cb 0.00 -0.92 0.00 0.00 1.07 0.00 0.00 42.92 43.07 2jqy s ASP 180 CO 0.00 -0.14 0.00 -0.90 1.18 0.00 0.00 175.17 175.31 2jqy n ASP 181 N 4.89 0.00 -1.59 0.27 5.75 -1.26 -4.99 116.55 119.62 2jqy n ASP 181 Ca -0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.60 2jqy n ASP 181 Cb 0.49 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2jqy n ASP 181 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jqy n SER 182 N -1.26 -0.99 -2.51 -1.12 3.41 -1.26 -5.09 113.62 104.79 2jqy n SER 182 Ca 0.00 -2.07 -0.04 0.00 -0.26 0.00 0.00 58.87 56.50 2jqy n SER 182 Cb 0.00 0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 2jqy n SER 182 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jqy n ARG 183 N -0.48 -4.85 0.09 4.33 3.00 -1.26 -4.90 116.66 112.60 2jqy n ARG 183 Ca -0.22 3.60 -0.05 0.00 -0.01 0.00 0.00 57.85 61.16 2jqy n ARG 183 Cb 0.78 -4.98 0.10 0.00 0.00 0.00 0.00 32.46 28.36 2jqy n ARG 183 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2jqy h ASN 184 N 4.16 0.21 0.00 0.55 -0.00 -1.87 -3.46 115.58 115.18 2jqy h ASN 184 Ca -0.39 -0.14 0.00 0.00 -0.00 0.00 0.00 56.30 55.78 2jqy h ASN 184 Cb 0.87 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 39.13 2jqy h ASN 184 CO 0.01 0.82 0.00 -3.20 -0.00 0.00 0.00 177.43 175.06 2jqy n ASN 185 N -3.80 0.00 0.00 1.15 2.85 -1.26 -5.11 115.26 109.09 2jqy n ASN 185 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2jqy n ASN 185 Cb 0.67 0.05 0.00 0.00 1.24 0.00 0.00 39.78 41.74 2jqy n ASN 185 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jqy n GLY 186 N -0.94 1.69 1.44 8.20 0.00 -1.26 -5.14 105.19 109.19 2jqy n GLY 186 Ca 0.00 -0.17 0.18 0.00 0.00 0.00 0.00 46.02 46.04 2jqy n GLY 186 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqy n GLU 187 N 0.00 -3.14 -3.64 1.61 1.02 -1.26 -5.01 120.64 110.22 2jqy n GLU 187 Ca 0.00 2.35 -0.10 0.00 -0.02 0.00 0.00 57.16 59.39 2jqy n GLU 187 Cb 0.00 -3.74 -0.07 0.00 -0.02 0.00 0.00 31.44 27.61 2jqy n GLU 187 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2jqy s PHE 188 N -3.30 -0.81 -0.05 -0.32 0.08 -1.18 -4.87 117.98 107.54 2jqy s PHE 188 Ca 0.00 1.80 0.03 0.00 0.12 0.00 0.00 56.93 58.88 2jqy s PHE 188 Cb 0.00 0.41 0.01 0.00 -0.57 0.00 0.00 43.02 42.86 2jqy s PHE 188 CO 0.00 -0.39 -0.11 -1.12 -0.10 0.00 0.00 175.22 173.49 2jqy s SER 189 N 0.83 1.59 0.19 1.36 0.01 -1.26 -3.74 113.70 112.68 2jqy s SER 189 Ca -0.03 -0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.06 2jqy s SER 189 Cb -0.05 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 2jqy s SER 189 CO -0.08 0.06 -0.18 -0.89 0.41 0.00 0.00 173.24 172.56 2jqy s THR 190 N 0.42 1.93 -0.12 1.44 2.01 -0.89 -5.02 115.64 115.40 2jqy s THR 190 Ca -0.09 -2.07 -0.05 0.00 0.31 0.00 0.00 61.69 59.80 2jqy s THR 190 Cb -0.13 -1.98 0.06 0.00 0.01 0.00 0.00 72.50 70.47 2jqy s THR 190 CO 0.02 -0.38 0.26 -1.58 -0.69 0.00 0.00 174.62 172.24 2jqy s GLN 191 N -3.10 0.15 0.22 4.92 0.74 -1.26 -2.40 119.66 118.92 2jqy s GLN 191 Ca 0.20 0.72 0.09 0.00 0.05 0.00 0.00 55.36 56.42 2jqy s GLN 191 Cb -0.05 -0.06 -0.05 0.00 1.10 0.00 0.00 33.01 33.96 2jqy s GLN 191 CO 0.08 -0.27 -0.17 -1.21 -0.55 0.00 0.00 175.29 173.17 2jqy s GLU 192 N 2.29 1.42 -0.16 1.67 2.02 -1.13 -5.05 118.70 119.75 2jqy s GLU 192 Ca 0.00 -1.61 -0.02 0.00 0.02 0.00 0.00 54.97 53.37 2jqy s GLU 192 Cb -0.12 -1.34 0.05 0.00 0.10 0.00 0.00 34.13 32.82 2jqy s GLU 192 CO -0.08 0.24 0.01 -1.50 0.02 0.00 0.00 175.26 173.94 2jqy s ILE 193 N -2.68 0.64 0.13 -1.63 1.10 -1.26 -2.57 121.20 114.92 2jqy s ILE 193 Ca 0.23 -0.45 0.05 0.00 -0.51 0.00 0.00 60.65 59.98 2jqy s ILE 193 Cb -0.03 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.54 2jqy s ILE 193 CO 0.09 -0.04 0.04 -0.13 -2.11 0.00 0.00 174.94 172.79 2jqy s ARG 194 N 1.82 2.62 -0.00 3.50 1.81 -1.07 -4.82 118.95 122.81 2jqy s ARG 194 Ca 0.01 -0.89 0.00 0.00 -1.72 0.00 0.00 55.73 53.12 2jqy s ARG 194 Cb -0.16 -2.54 -0.00 0.00 -0.45 0.00 0.00 34.95 31.80 2jqy s ARG 194 CO -0.07 0.51 -0.02 0.00 -0.68 0.00 0.00 175.30 175.04 2jqy s ALA 195 N -1.51 0.13 0.29 2.13 0.00 -0.99 -2.64 121.76 119.16 2jqy s ALA 195 Ca 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 2jqy s ALA 195 Cb -0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2jqy s ALA 195 CO 0.20 0.03 0.36 0.71 0.00 0.00 0.00 175.76 177.06 2jqy s TYR 196 N -0.04 1.08 -0.39 0.00 1.51 -0.71 -1.78 117.35 117.02 2jqy s TYR 196 Ca 0.01 -1.27 0.00 0.00 -1.01 0.00 0.00 57.07 54.79 2jqy s TYR 196 Cb -0.01 -0.26 0.19 0.00 -0.11 0.00 0.00 41.96 41.78 2jqy s TYR 196 CO -0.00 -0.94 0.85 -0.48 -1.11 0.00 0.00 175.55 173.86 2jqy s LEU 197 N -3.20 -0.96 -0.20 -1.29 2.34 -1.25 0.11 118.68 114.23 2jqy s LEU 197 Ca 0.33 -0.66 -0.32 0.00 0.06 0.00 0.00 54.13 53.54 2jqy s LEU 197 Cb 0.02 1.23 -0.09 0.00 -0.56 0.00 0.00 46.19 46.79 2jqy s LEU 197 CO 0.17 -0.09 2.10 -2.65 -1.06 0.00 0.00 176.35 174.83 2jqy n PRO 198 N 3.72 1.85 -4.47 1.48 -0.02 -1.19 -4.24 135.00 132.13 2jqy n PRO 198 Ca 0.10 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.83 2jqy n PRO 198 Cb 0.60 -2.83 -0.14 0.00 -0.02 0.00 0.00 33.50 31.10 2jqy n PRO 198 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2jqy s LEU 199 N 6.53 2.70 0.05 2.45 1.02 0.18 -3.65 118.68 127.96 2jqy s LEU 199 Ca 1.00 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 54.78 2jqy s LEU 199 Cb -0.59 -1.63 -0.03 0.00 0.02 0.00 0.00 46.19 43.96 2jqy s LEU 199 CO 0.44 0.10 -0.05 0.28 0.02 0.00 0.00 176.35 177.14 2jqy s THR 200 N 0.76 0.37 -0.36 5.49 -1.32 -1.26 0.57 115.64 119.90 2jqy s THR 200 Ca -0.05 -1.40 0.01 0.00 -1.21 0.00 0.00 61.69 59.04 2jqy s THR 200 Cb -0.15 -0.97 0.14 0.00 -1.51 0.00 0.00 72.50 70.01 2jqy s THR 200 CO 0.01 -0.68 0.27 -1.48 -2.21 0.00 0.00 174.62 170.54 2jqy s LEU 201 N -2.20 0.54 0.00 9.08 2.34 -1.06 -4.91 118.68 122.47 2jqy s LEU 201 Ca -0.03 -1.90 0.00 0.00 0.06 0.00 0.00 54.13 52.26 2jqy s LEU 201 Cb -0.02 -0.01 0.00 0.00 -0.56 0.00 0.00 46.19 45.60 2jqy s LEU 201 CO -0.04 -0.30 0.00 0.61 -1.06 0.00 0.00 176.35 175.57 2jqy n GLY 202 N 4.18 2.11 2.39 -3.48 0.00 -1.26 -3.38 105.19 105.75 2jqy n GLY 202 Ca 0.11 0.12 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 2jqy n GLY 202 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jqy n ASN 203 N 4.50 2.70 -4.05 1.61 0.23 -1.26 -5.06 115.26 113.93 2jqy n ASN 203 Ca 0.00 -2.68 -0.19 0.00 -0.53 0.00 0.00 54.58 51.17 2jqy n ASN 203 Cb 0.00 -0.42 -0.14 0.00 -2.08 0.00 0.00 39.78 37.13 2jqy n ASN 203 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 2jqy s HIS 204 N -3.49 0.93 -0.17 -2.53 2.46 -1.22 -4.86 115.29 106.41 2jqy s HIS 204 Ca 0.36 -0.21 0.01 0.00 0.47 0.00 0.00 55.06 55.69 2jqy s HIS 204 Cb 0.36 -0.59 0.03 0.00 -0.13 0.00 0.00 32.58 32.25 2jqy s HIS 204 CO -0.02 -0.01 -0.12 -1.12 -2.47 0.00 0.00 174.74 170.99 2jqy s SER 205 N -0.41 3.01 -0.22 9.88 0.01 -0.87 -2.57 113.70 122.53 2jqy s SER 205 Ca 0.03 -0.67 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 2jqy s SER 205 Cb -0.05 -1.20 0.08 0.00 0.21 0.00 0.00 66.02 65.06 2jqy s SER 205 CO -0.00 -0.10 0.10 0.68 0.41 0.00 0.00 173.24 174.33 2jqy s VAL 206 N 1.45 0.07 -0.35 3.43 -7.23 0.19 0.57 120.40 118.54 2jqy s VAL 206 Ca 0.02 -0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 2jqy s VAL 206 Cb -0.14 -0.85 0.08 0.00 0.56 0.00 0.00 36.38 36.03 2jqy s VAL 206 CO -0.10 -0.45 0.08 0.42 -0.31 0.00 0.00 175.10 174.75 2jqy s THR 207 N 2.05 2.99 0.71 5.32 -4.23 -0.98 -0.65 115.64 120.86 2jqy s THR 207 Ca 0.04 -1.78 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 2jqy s THR 207 Cb -0.16 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.78 2jqy s THR 207 CO -0.19 -0.40 1.10 -2.16 -0.54 0.00 0.00 174.62 172.44 2jqy s PRO 208 N 1.16 2.78 -0.08 3.99 0.04 -1.26 -2.31 135.00 139.32 2jqy s PRO 208 Ca 0.02 0.43 0.05 0.00 0.04 0.00 0.00 61.00 61.54 2jqy s PRO 208 Cb -0.21 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 2jqy s PRO 208 CO -0.03 -1.08 -0.23 0.71 0.04 0.00 0.00 177.00 176.41 2jqy s TYR 209 N -3.38 2.38 0.13 0.56 1.51 -0.62 -3.92 117.35 114.01 2jqy s TYR 209 Ca 0.58 -0.88 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 2jqy s TYR 209 Cb -0.11 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 2jqy s TYR 209 CO 0.52 -0.33 -0.11 0.95 -1.11 0.00 0.00 175.55 175.46 2jqy s THR 210 N 0.20 1.19 -0.10 -0.71 -4.23 -0.73 -2.67 115.64 108.58 2jqy s THR 210 Ca -0.13 -1.90 0.07 0.00 -1.18 0.00 0.00 61.69 58.55 2jqy s THR 210 Cb -0.16 -1.68 -0.11 0.00 1.34 0.00 0.00 72.50 71.89 2jqy s THR 210 CO 0.07 -0.62 0.00 -1.14 -0.54 0.00 0.00 174.62 172.39 2jqy n ARG 211 N 0.12 1.98 -0.03 3.99 3.00 -1.26 -2.35 116.66 122.12 2jqy n ARG 211 Ca -0.13 0.01 -0.04 0.00 -0.00 0.00 0.00 57.85 57.70 2jqy n ARG 211 Cb 0.59 -1.24 -0.03 0.00 0.00 0.00 0.00 32.46 31.78 2jqy n ARG 211 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2jqy n ILE 212 N -2.46 0.36 0.00 5.15 -0.00 -1.26 -4.81 119.36 116.34 2jqy n ILE 212 Ca -0.17 -0.16 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 2jqy n ILE 212 Cb 0.79 -0.76 0.00 0.00 -0.00 0.00 0.00 39.64 39.67 2jqy n ILE 212 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2jqy n GLY 213 N 3.08 3.13 3.16 7.39 0.00 -1.26 -5.05 105.19 115.63 2jqy n GLY 213 Ca -0.11 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2jqy n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jqy s LEU 214 N 0.00 2.42 -0.33 0.99 1.02 -1.26 -5.04 118.68 116.48 2jqy s LEU 214 Ca 0.00 -0.83 0.07 0.00 0.02 0.00 0.00 54.13 53.39 2jqy s LEU 214 Cb 0.00 -0.24 0.66 0.00 0.02 0.00 0.00 46.19 46.63 2jqy s LEU 214 CO 0.00 -0.30 1.75 -0.90 0.02 0.00 0.00 176.35 176.92 2jqy n ASP 215 N 0.50 4.34 -2.75 2.29 5.68 -1.26 -4.98 116.55 120.38 2jqy n ASP 215 Ca -0.16 -3.20 -0.03 0.00 -0.50 0.00 0.00 54.79 50.90 2jqy n ASP 215 Cb 0.58 -0.75 -0.03 0.00 -1.14 0.00 0.00 41.12 39.79 2jqy n ASP 215 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2jqy n ARG 216 N -0.35 -3.54 -3.91 0.11 5.12 -1.26 -5.06 116.66 107.77 2jqy n ARG 216 Ca 0.42 2.78 -0.09 0.00 -1.93 0.00 0.00 57.85 59.03 2jqy n ARG 216 Cb 1.38 -4.25 -0.09 0.00 -1.16 0.00 0.00 32.46 28.34 2jqy n ARG 216 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 2jqy s TRP 217 N -0.86 0.19 0.03 -1.55 -0.00 -1.26 -5.07 118.94 110.43 2jqy s TRP 217 Ca -0.15 -0.55 0.00 0.00 -0.00 0.00 0.00 56.10 55.40 2jqy s TRP 217 Cb 0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 33.47 33.36 2jqy s TRP 217 CO 0.62 -0.44 0.00 0.45 -0.00 0.00 0.00 176.95 177.58 2jqy n SER 218 N 0.40 -9.45 -1.52 5.86 2.88 -1.26 -5.09 113.62 105.44 2jqy n SER 218 Ca -0.17 1.81 -0.04 0.00 -1.33 0.00 0.00 58.87 59.13 2jqy n SER 218 Cb 0.60 -5.15 -0.02 0.00 -0.75 0.00 0.00 64.21 58.89 2jqy n SER 218 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jqy n ASN 219 N 1.81 -0.22 -2.61 -3.46 5.15 -1.26 -5.05 115.26 109.62 2jqy n ASN 219 Ca 0.00 -1.51 -0.33 0.00 -0.60 0.00 0.00 54.58 52.14 2jqy n ASN 219 Cb 0.00 0.47 0.02 0.00 -0.53 0.00 0.00 39.78 39.73 2jqy n ASN 219 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2jqy n TRP 220 N -0.15 2.48 -2.03 1.20 7.02 -1.26 -4.94 117.44 119.76 2jqy n TRP 220 Ca 0.01 -2.29 0.00 0.00 -1.02 0.00 0.00 57.50 54.20 2jqy n TRP 220 Cb 0.14 -1.27 0.00 0.00 -2.42 0.00 0.00 31.31 27.76 2jqy n TRP 220 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2jqy n ASP 221 N -0.10 -8.58 -2.20 -0.99 8.00 -1.26 -5.04 116.55 106.38 2jqy n ASP 221 Ca 0.52 1.40 -0.02 0.00 0.71 0.00 0.00 54.79 57.40 2jqy n ASP 221 Cb 0.42 -4.79 0.06 0.00 -0.02 0.00 0.00 41.12 36.80 2jqy n ASP 221 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2jqy n TRP 222 N 1.74 -1.09 -1.96 1.24 -0.00 -1.26 -5.16 117.44 110.95 2jqy n TRP 222 Ca 0.00 -0.93 -0.15 0.00 -0.00 0.00 0.00 57.50 56.42 2jqy n TRP 222 Cb 0.00 1.12 0.09 0.00 -0.00 0.00 0.00 31.31 32.52 2jqy n TRP 222 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2jqy n GLN 223 N -0.74 -0.27 -2.37 5.87 10.64 -1.26 -4.90 117.38 124.35 2jqy n GLN 223 Ca -0.11 -1.32 -0.01 0.00 -1.83 0.00 0.00 57.00 53.73 2jqy n GLN 223 Cb 0.70 -0.57 -0.01 0.00 -0.86 0.00 0.00 30.24 29.50 2jqy n GLN 223 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2jqy n ASP 224 N -3.22 -7.46 -3.08 2.61 -0.08 -1.26 -5.09 116.55 98.98 2jqy n ASP 224 Ca 0.09 1.71 -0.01 0.00 -1.51 0.00 0.00 54.79 55.07 2jqy n ASP 224 Cb 0.32 -5.12 0.02 0.00 2.34 0.00 0.00 41.12 38.68 2jqy n ASP 224 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jqy n ASP 225 N 1.76 -1.34 -4.35 1.67 8.00 -1.26 -5.14 116.55 115.89 2jqy n ASP 225 Ca -0.09 -1.61 -0.37 0.00 0.71 0.00 0.00 54.79 53.43 2jqy n ASP 225 Cb 0.14 2.15 -0.13 0.00 -0.02 0.00 0.00 41.12 43.26 2jqy n ASP 225 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jqy s ILE 226 N -2.11 3.94 0.53 0.53 1.10 -1.26 -4.98 121.20 118.95 2jqy s ILE 226 Ca 0.21 -0.62 0.00 0.00 -0.51 0.00 0.00 60.65 59.74 2jqy s ILE 226 Cb -0.02 -2.99 0.00 0.00 0.15 0.00 0.00 42.46 39.60 2jqy s ILE 226 CO 0.03 0.14 0.00 -0.62 -2.11 0.00 0.00 174.94 172.38 2jqy n GLU 227 N 4.86 -3.77 0.14 3.50 1.02 -1.26 -5.06 120.64 120.07 2jqy n GLU 227 Ca -0.15 2.92 0.00 0.00 -0.02 0.00 0.00 57.16 59.91 2jqy n GLU 227 Cb 0.49 -3.63 0.00 0.00 -0.02 0.00 0.00 31.44 28.27 2jqy n GLU 227 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2jqy n ARG 228 N -2.43 0.00 -3.64 3.49 0.63 -1.26 -5.15 116.66 108.31 2jqy n ARG 228 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 2jqy n ARG 228 Cb 0.42 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.26 2jqy n ARG 228 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2jqy s GLU 229 N -1.81 0.64 -0.00 -0.14 2.12 -1.26 -5.06 118.70 113.19 2jqy s GLU 229 Ca 0.00 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.26 2jqy s GLU 229 Cb 0.00 0.23 -0.00 0.00 0.26 0.00 0.00 34.13 34.61 2jqy s GLU 229 CO 0.00 -0.10 -0.00 0.41 -0.54 0.00 0.00 175.26 175.02 2jqy n GLY 230 N 3.31 -0.01 3.64 -1.50 0.00 -1.26 -5.08 105.19 104.30 2jqy n GLY 230 Ca -0.16 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 2jqy n GLY 230 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jqy s HIS 231 N -2.01 -0.84 -0.06 1.61 2.46 -1.26 -5.16 115.29 110.03 2jqy s HIS 231 Ca -0.00 1.77 0.05 0.00 0.47 0.00 0.00 55.06 57.34 2jqy s HIS 231 Cb 0.00 0.47 -0.01 0.00 -0.13 0.00 0.00 32.58 32.91 2jqy s HIS 231 CO 0.01 -0.41 -0.22 0.34 -2.47 0.00 0.00 174.74 171.98 2jqy s ASP 232 N 1.16 2.80 1.02 9.88 2.15 -1.26 -5.14 116.67 127.28 2jqy s ASP 232 Ca -0.06 -0.47 -0.04 0.00 0.43 0.00 0.00 52.55 52.41 2jqy s ASP 232 Cb -0.05 -0.87 0.06 0.00 -0.30 0.00 0.00 42.92 41.76 2jqy s ASP 232 CO -0.13 0.20 0.28 0.49 -0.17 0.00 0.00 175.17 175.84 2jqy n PHE 233 N 3.11 -3.71 0.00 -5.34 3.72 -1.26 -4.36 117.46 109.62 2jqy n PHE 233 Ca -0.18 -0.25 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 2jqy n PHE 233 Cb 0.52 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2jqy n PHE 233 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2jqy n ASN 234 N -3.27 0.00 -1.48 4.37 4.13 -1.26 -4.89 115.26 112.85 2jqy n ASN 234 Ca 0.04 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.46 2jqy n ASN 234 Cb 0.13 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.28 2jqy n ASN 234 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2jqy n ARG 235 N 0.00 -3.49 -1.25 3.52 1.74 -1.26 -4.89 116.66 111.02 2jqy n ARG 235 Ca 0.00 2.85 -0.29 0.00 -0.77 0.00 0.00 57.85 59.64 2jqy n ARG 235 Cb 0.00 -4.00 0.16 0.00 -1.02 0.00 0.00 32.46 27.60 2jqy n ARG 235 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2jqy s VAL 236 N -4.46 2.20 0.18 1.55 -7.23 -1.26 -4.96 120.40 106.42 2jqy s VAL 236 Ca 0.00 0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.13 2jqy s VAL 236 Cb 0.00 -2.61 -0.00 0.00 0.56 0.00 0.00 36.38 34.33 2jqy s VAL 236 CO 0.00 -0.09 0.34 -0.83 -0.31 0.00 0.00 175.10 174.22 2jqy s GLY 237 N -3.56 0.41 -0.02 2.32 0.00 -1.09 -4.57 107.32 100.81 2jqy s GLY 237 Ca 0.65 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.58 2jqy s GLY 237 CO 0.57 -0.73 -0.01 0.48 0.00 0.00 0.00 173.10 173.41 2jqy s LEU 238 N -2.96 1.55 -0.34 0.66 2.34 0.44 -1.59 118.68 118.77 2jqy s LEU 238 Ca 0.17 -0.03 -0.06 0.00 0.06 0.00 0.00 54.13 54.27 2jqy s LEU 238 Cb 0.02 -0.16 0.05 0.00 -0.56 0.00 0.00 46.19 45.54 2jqy s LEU 238 CO 0.01 -0.04 0.11 0.12 -1.06 0.00 0.00 176.35 175.49 2jqy s PHE 239 N 0.53 3.28 0.32 3.48 5.36 -0.98 -1.62 117.98 128.35 2jqy s PHE 239 Ca -0.05 -1.53 -0.27 0.00 -0.96 0.00 0.00 56.93 54.12 2jqy s PHE 239 Cb -0.08 -2.36 -0.09 0.00 -0.34 0.00 0.00 43.02 40.15 2jqy s PHE 239 CO -0.01 -0.76 1.04 0.71 -1.46 0.00 0.00 175.22 174.74 2jqy s TYR 240 N 1.38 3.52 -0.28 10.12 1.51 0.21 -2.32 117.35 131.49 2jqy s TYR 240 Ca -0.01 1.72 -0.04 0.00 -1.01 0.00 0.00 57.07 57.72 2jqy s TYR 240 Cb -0.20 -3.15 0.10 0.00 -0.11 0.00 0.00 41.96 38.60 2jqy s TYR 240 CO 0.02 -0.37 0.13 0.20 -1.11 0.00 0.00 175.55 174.41 2jqy s GLY 241 N -1.25 0.48 -0.12 0.71 0.00 0.19 -2.00 107.32 105.33 2jqy s GLY 241 Ca 0.50 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 2jqy s GLY 241 CO 0.33 2.04 -0.05 -0.47 0.00 0.00 0.00 173.10 174.94 2jqy s TYR 242 N 2.10 1.37 -0.32 1.90 5.04 0.19 -2.06 117.35 125.57 2jqy s TYR 242 Ca 0.08 -0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 53.98 2jqy s TYR 242 Cb -0.16 -1.17 0.11 0.00 0.35 0.00 0.00 41.96 41.09 2jqy s TYR 242 CO -0.34 -0.51 0.13 0.16 -1.34 0.00 0.00 175.55 173.65 2jqy s ASP 243 N 1.75 3.75 -0.02 4.32 -4.77 -1.26 -0.32 116.67 120.10 2jqy s ASP 243 Ca 0.04 -1.69 0.01 0.00 -3.30 0.00 0.00 52.55 47.60 2jqy s ASP 243 Cb -0.13 -0.69 0.02 0.00 -1.09 0.00 0.00 42.92 41.04 2jqy s ASP 243 CO -0.08 -0.40 0.46 0.33 0.70 0.00 0.00 175.17 176.19 2jqy n PHE 244 N 4.75 -0.13 -0.09 2.11 -0.00 -1.25 -4.97 117.46 117.89 2jqy n PHE 244 Ca -0.01 -0.11 -0.22 0.00 -0.00 0.00 0.00 57.45 57.11 2jqy n PHE 244 Cb 0.41 0.54 -0.12 0.00 -0.00 0.00 0.00 39.48 40.31 2jqy n PHE 244 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 2jqy n GLN 245 N -0.09 0.65 -1.38 -4.13 7.27 -1.26 -4.86 117.38 113.57 2jqy n GLN 245 Ca -0.02 0.29 -0.02 0.00 0.07 0.00 0.00 57.00 57.32 2jqy n GLN 245 Cb 0.47 -1.61 0.01 0.00 2.41 0.00 0.00 30.24 31.53 2jqy n GLN 245 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2jqy n ASN 246 N -3.77 -0.57 0.00 1.69 2.85 -1.26 -4.96 115.26 109.24 2jqy n ASN 246 Ca -0.42 -1.24 0.00 0.00 -0.11 0.00 0.00 54.58 52.81 2jqy n ASN 246 Cb 0.93 0.23 0.00 0.00 1.24 0.00 0.00 39.78 42.17 2jqy n ASN 246 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jqy n GLY 247 N -0.36 0.65 3.86 8.20 0.00 -1.26 -5.06 105.19 111.21 2jqy n GLY 247 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 2jqy n GLY 247 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jqy s LEU 248 N 0.00 4.06 0.17 0.99 0.05 -1.26 -3.47 118.68 119.22 2jqy s LEU 248 Ca 0.00 0.05 -0.03 0.00 0.05 0.00 0.00 54.13 54.20 2jqy s LEU 248 Cb 0.00 -2.67 -0.05 0.00 -2.05 0.00 0.00 46.19 41.42 2jqy s LEU 248 CO 0.00 0.10 0.39 -0.44 -0.55 0.00 0.00 176.35 175.84 2jqy s SER 249 N -2.93 6.44 -0.04 1.48 0.01 -0.39 -3.82 113.70 114.45 2jqy s SER 249 Ca 0.32 0.52 -0.01 0.00 1.31 0.00 0.00 55.95 58.09 2jqy s SER 249 Cb -0.11 -2.06 0.03 0.00 0.21 0.00 0.00 66.02 64.09 2jqy s SER 249 CO 0.25 0.01 0.07 -0.69 0.41 0.00 0.00 173.24 173.29 2jqy s VAL 250 N -1.76 -0.08 0.06 3.43 1.01 0.56 -2.18 120.40 121.44 2jqy s VAL 250 Ca 0.40 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.67 2jqy s VAL 250 Cb -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 2jqy s VAL 250 CO 0.27 0.11 -0.08 -0.44 0.00 0.00 0.00 175.10 174.95 2jqy s SER 251 N 1.39 1.05 -0.03 3.32 0.01 -0.29 0.56 113.70 119.72 2jqy s SER 251 Ca -0.05 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 56.53 2jqy s SER 251 Cb -0.12 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.17 2jqy s SER 251 CO -0.04 -0.24 0.06 -0.76 0.41 0.00 0.00 173.24 172.67 2jqy s LEU 252 N -1.94 1.06 -0.19 2.44 1.43 -0.85 -1.80 118.68 118.84 2jqy s LEU 252 Ca -0.04 0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2jqy s LEU 252 Cb -0.07 0.06 -0.03 0.00 0.03 0.00 0.00 46.19 46.18 2jqy s LEU 252 CO -0.00 -0.12 0.03 -1.61 0.23 0.00 0.00 176.35 174.88 2jqy s GLU 253 N 0.99 3.81 0.14 1.70 2.02 -0.24 0.67 118.70 127.79 2jqy s GLU 253 Ca -0.08 -0.43 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 2jqy s GLU 253 Cb -0.11 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2jqy s GLU 253 CO -0.03 0.16 0.14 0.71 0.02 0.00 0.00 175.26 176.26 2jqy s TYR 254 N 0.64 0.71 -0.07 1.61 2.02 -0.64 -2.26 117.35 119.36 2jqy s TYR 254 Ca 0.02 -1.08 -0.08 0.00 -0.37 0.00 0.00 57.07 55.56 2jqy s TYR 254 Cb -0.14 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 41.05 2jqy s TYR 254 CO 0.02 -0.59 -0.17 0.00 -1.57 0.00 0.00 175.55 173.23 2jqy n ALA 255 N -0.14 2.03 -3.86 3.71 0.00 -1.26 -0.42 120.51 120.57 2jqy n ALA 255 Ca -0.06 -0.44 -0.30 0.00 0.00 0.00 0.00 53.44 52.64 2jqy n ALA 255 Cb 0.63 0.20 -0.15 0.00 0.00 0.00 0.00 19.45 20.13 2jqy n ALA 255 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jqy s PHE 256 N -2.38 2.36 0.17 0.00 0.40 -1.26 -4.40 117.98 112.88 2jqy s PHE 256 Ca -0.15 -2.00 -0.03 0.00 -0.60 0.00 0.00 56.93 54.14 2jqy s PHE 256 Cb 0.04 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 2jqy s PHE 256 CO 0.22 -0.85 0.39 -2.00 0.70 0.00 0.00 175.22 173.68 2jqy s GLU 257 N 1.39 3.58 0.10 0.44 2.12 -1.26 -4.91 118.70 120.17 2jqy s GLU 257 Ca 0.05 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2jqy s GLU 257 Cb -0.18 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.38 2jqy s GLU 257 CO -0.15 0.42 0.00 1.87 -0.54 0.00 0.00 175.26 176.87 2jqy n TRP 258 N -0.25 -2.38 -4.76 5.30 -0.00 -1.26 -5.14 117.44 108.95 2jqy n TRP 258 Ca -0.03 0.33 -0.24 0.00 -0.00 0.00 0.00 57.50 57.56 2jqy n TRP 258 Cb 0.53 1.10 -0.15 0.00 -0.00 0.00 0.00 31.31 32.78 2jqy n TRP 258 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2jqy s GLN 259 N -2.00 1.35 -0.14 5.87 -0.21 -1.26 -5.06 119.66 118.20 2jqy s GLN 259 Ca 0.00 -0.57 -0.14 0.00 0.02 0.00 0.00 55.36 54.66 2jqy s GLN 259 Cb 0.00 -1.29 -0.12 0.00 1.00 0.00 0.00 33.01 32.61 2jqy s GLN 259 CO 0.00 0.33 0.20 -0.44 -2.12 0.00 0.00 175.29 173.26 2jqy h ASP 260 N 5.81 0.00 -4.11 5.90 3.32 -2.01 -3.47 116.42 121.85 2jqy h ASP 260 Ca -0.35 -0.37 -0.46 0.00 0.02 0.00 0.00 57.03 55.86 2jqy h ASP 260 Cb 1.16 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.79 2jqy h ASP 260 CO 0.48 0.92 0.30 -1.38 -1.72 0.00 0.00 179.24 177.84 2jqy s HIS 261 N -2.07 2.92 0.22 4.55 -3.43 -1.26 -5.11 115.29 111.11 2jqy s HIS 261 Ca -0.15 0.56 -0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2jqy s HIS 261 Cb 0.01 -3.32 -0.04 0.00 -1.43 0.00 0.00 32.58 27.80 2jqy s HIS 261 CO 0.36 -1.57 0.13 -0.51 -2.00 0.00 0.00 174.74 171.16 2jqy s ASP 262 N -4.54 0.48 0.45 7.38 1.01 -1.26 -5.17 116.67 115.01 2jqy s ASP 262 Ca 0.61 -1.41 0.08 0.00 0.71 0.00 0.00 52.55 52.54 2jqy s ASP 262 Cb -0.11 0.34 0.02 0.00 1.01 0.00 0.00 42.92 44.18 2jqy s ASP 262 CO 0.46 -0.83 0.59 -1.61 0.21 0.00 0.00 175.17 174.00 2jqy s GLU 263 N -4.09 2.71 -0.69 8.23 2.02 -1.26 -5.02 118.70 120.59 2jqy s GLU 263 Ca 0.39 -1.34 -0.02 0.00 0.02 0.00 0.00 54.97 54.01 2jqy s GLU 263 Cb 0.07 -2.70 0.27 0.00 0.10 0.00 0.00 34.13 31.87 2jqy s GLU 263 CO 0.13 -0.37 2.24 0.41 0.02 0.00 0.00 175.26 177.69 2jqy n GLY 264 N -1.89 5.17 2.09 -1.39 0.00 -1.26 -4.45 105.19 103.45 2jqy n GLY 264 Ca 0.09 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2jqy n GLY 264 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqy n ASP 265 N -0.15 -1.59 -4.76 1.61 -0.08 -1.26 -5.12 116.55 105.20 2jqy n ASP 265 Ca 0.52 0.47 -0.39 0.00 -1.51 0.00 0.00 54.79 53.88 2jqy n ASP 265 Cb 0.38 1.64 -0.04 0.00 2.34 0.00 0.00 41.12 45.45 2jqy n ASP 265 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2jqy s SER 266 N -2.96 7.11 0.43 1.67 1.04 -1.26 -5.05 113.70 114.67 2jqy s SER 266 Ca 0.00 2.24 0.06 0.00 0.48 0.00 0.00 55.95 58.73 2jqy s SER 266 Cb 0.00 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 2jqy s SER 266 CO 0.00 -0.25 0.05 -1.81 0.98 0.00 0.00 173.24 172.21 2jqy s ASP 267 N -1.01 4.04 0.02 7.02 1.11 -1.26 -4.71 116.67 121.87 2jqy s ASP 267 Ca 0.48 -1.35 -0.28 0.00 0.18 0.00 0.00 52.55 51.58 2jqy s ASP 267 Cb -0.30 -0.27 0.10 0.00 1.07 0.00 0.00 42.92 43.51 2jqy s ASP 267 CO 0.39 -0.54 0.84 -0.54 1.18 0.00 0.00 175.17 176.50 2jqy s LYS 268 N -3.78 0.90 -0.27 8.23 1.02 -1.26 -5.14 119.74 119.43 2jqy s LYS 268 Ca 0.32 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.03 2jqy s LYS 268 Cb 0.07 0.41 0.07 0.00 -0.52 0.00 0.00 37.83 37.87 2jqy s LYS 268 CO 0.17 -0.39 -0.02 -0.59 -0.92 0.00 0.00 175.35 173.60 2jqy s PHE 269 N -3.10 2.80 -0.16 3.18 -0.71 -1.26 -5.09 117.98 113.64 2jqy s PHE 269 Ca 0.04 -2.15 -0.09 0.00 -1.04 0.00 0.00 56.93 53.68 2jqy s PHE 269 Cb -0.01 -1.97 0.06 0.00 -1.21 0.00 0.00 43.02 39.89 2jqy s PHE 269 CO -0.09 -0.85 0.39 -1.58 -1.34 0.00 0.00 175.22 171.76 2jqy s HIS 270 N 1.25 -0.57 0.73 3.49 2.46 -1.26 -5.17 115.29 116.22 2jqy s HIS 270 Ca -0.01 1.23 -0.03 0.00 0.47 0.00 0.00 55.06 56.72 2jqy s HIS 270 Cb -0.19 0.24 0.12 0.00 -0.13 0.00 0.00 32.58 32.62 2jqy s HIS 270 CO -0.09 -0.33 1.01 0.71 -2.47 0.00 0.00 174.74 173.58 2jqy s TYR 271 N 1.35 1.93 0.36 3.88 2.02 -1.26 -5.12 117.35 120.50 2jqy s TYR 271 Ca -0.09 -0.07 -0.08 0.00 -0.37 0.00 0.00 57.07 56.46 2jqy s TYR 271 Cb -0.08 -3.14 0.03 0.00 -0.40 0.00 0.00 41.96 38.37 2jqy s TYR 271 CO -0.12 -1.69 0.62 0.00 -1.57 0.00 0.00 175.55 172.79 2jqy n ALA 272 N -2.91 -1.05 -3.51 3.71 0.00 -1.26 -4.74 120.51 110.75 2jqy n ALA 272 Ca 0.13 -1.36 -0.12 0.00 0.00 0.00 0.00 53.44 52.09 2jqy n ALA 272 Cb 0.60 1.09 -0.11 0.00 0.00 0.00 0.00 19.45 21.04 2jqy n ALA 272 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jqy s GLY 273 N -3.01 -0.30 -0.09 0.00 0.00 -0.96 -4.41 107.32 98.55 2jqy s GLY 273 Ca 0.21 1.29 0.03 0.00 0.00 0.00 0.00 44.72 46.25 2jqy s GLY 273 CO 0.15 1.32 -0.18 0.54 0.00 0.00 0.00 173.10 174.93 2jqy s VAL 274 N 0.85 1.61 0.05 1.40 0.11 -1.17 -1.08 120.40 122.17 2jqy s VAL 274 Ca -0.05 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 2jqy s VAL 274 Cb -0.06 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.33 2jqy s VAL 274 CO -0.06 0.46 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.26 2jqy s GLY 275 N 0.61 0.55 -0.01 6.54 0.00 -0.75 -1.09 107.32 113.18 2jqy s GLY 275 Ca -0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 2jqy s GLY 275 CO 0.04 -0.96 0.03 0.14 0.00 0.00 0.00 173.10 172.35 2jqy s VAL 276 N -1.91 0.02 -0.33 1.40 1.01 -0.84 -1.14 120.40 118.62 2jqy s VAL 276 Ca -0.05 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2jqy s VAL 276 Cb -0.06 -0.09 0.15 0.00 0.00 0.00 0.00 36.38 36.37 2jqy s VAL 276 CO -0.01 -0.08 0.34 0.21 0.00 0.00 0.00 175.10 175.56 2jqy s ASN 277 N -0.23 1.33 -0.26 3.32 3.84 -0.93 -0.37 114.94 121.64 2jqy s ASN 277 Ca -0.03 -1.11 -0.18 0.00 0.21 0.00 0.00 52.86 51.76 2jqy s ASN 277 Cb -0.02 0.58 -0.03 0.00 -0.55 0.00 0.00 41.25 41.24 2jqy s ASN 277 CO -0.00 -0.33 0.50 -0.47 -2.79 0.00 0.00 177.10 174.01 2jqy s TYR 278 N 1.94 3.27 0.07 0.43 6.14 0.59 -1.26 117.35 128.53 2jqy s TYR 278 Ca 0.13 0.62 0.08 0.00 0.64 0.00 0.00 57.07 58.54 2jqy s TYR 278 Cb -0.14 -2.70 -0.03 0.00 0.42 0.00 0.00 41.96 39.50 2jqy s TYR 278 CO -0.19 -0.27 -0.23 -1.54 0.64 0.00 0.00 175.55 173.96 2jqy s SER 279 N 1.54 2.73 0.00 4.32 1.04 -1.23 0.82 113.70 122.92 2jqy s SER 279 Ca 0.21 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2jqy s SER 279 Cb -0.16 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2jqy s SER 279 CO 0.09 0.15 0.00 0.33 0.98 0.00 0.00 173.24 174.79