#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqj n ARG 20 N 0.00 0.00 -0.01 1.64 1.85 -1.26 -5.03 116.66 113.84 2jqj n ARG 20 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 2jqj n ARG 20 Cb 0.00 -0.03 -0.00 0.00 -1.05 0.00 0.00 32.46 31.38 2jqj n ARG 20 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2jqj n GLN 21 N -2.13 0.08 0.03 2.89 6.02 -1.26 -5.09 117.38 117.91 2jqj n GLN 21 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2jqj n GLN 21 Cb 0.00 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 30.61 2jqj n GLN 21 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2jqj n GLN 22 N -2.79 0.00 -3.07 -1.09 0.00 -1.26 -5.11 117.38 104.05 2jqj n GLN 22 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.57 2jqj n GLN 22 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.26 2jqj n GLN 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2jqj s ARG 23 N -1.52 4.05 -0.11 3.69 0.52 -1.26 -4.61 118.95 119.70 2jqj s ARG 23 Ca 0.00 0.52 0.18 0.00 -0.52 0.00 0.00 55.73 55.91 2jqj s ARG 23 Cb 0.00 -3.68 0.35 0.00 0.52 0.00 0.00 34.95 32.14 2jqj s ARG 23 CO 0.00 -0.49 1.17 0.43 0.02 0.00 0.00 175.30 176.43 2jqj n SER 24 N 5.83 0.34 -3.65 0.23 7.64 -1.26 -5.02 113.62 117.74 2jqj n SER 24 Ca 0.00 -2.04 -0.13 0.00 1.01 0.00 0.00 58.87 57.71 2jqj n SER 24 Cb 0.49 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.54 2jqj n SER 24 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2jqj s ASN 25 N -2.09 -0.72 -0.09 6.43 2.47 -1.26 -5.03 114.94 114.64 2jqj s ASN 25 Ca 0.21 1.36 -0.08 0.00 0.42 0.00 0.00 52.86 54.77 2jqj s ASN 25 Cb 0.29 1.37 0.03 0.00 -1.45 0.00 0.00 41.25 41.49 2jqj s ASN 25 CO -0.09 -0.23 0.25 -0.54 -3.72 0.00 0.00 177.10 172.76 2jqj s LYS 26 N 0.47 0.27 0.90 0.43 1.02 -1.26 -5.16 119.74 116.42 2jqj s LYS 26 Ca -0.01 0.37 -0.11 0.00 0.02 0.00 0.00 55.97 56.24 2jqj s LYS 26 Cb -0.05 0.10 0.11 0.00 -0.52 0.00 0.00 37.83 37.47 2jqj s LYS 26 CO -0.01 -0.05 0.97 -2.30 -0.92 0.00 0.00 175.35 173.04 2jqj n PRO 27 N 3.13 -0.29 -1.20 -1.68 -0.02 -1.26 -4.89 135.00 128.78 2jqj n PRO 27 Ca -0.14 -0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 61.07 2jqj n PRO 27 Cb 0.58 -2.25 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 2jqj n PRO 27 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jqj n SER 28 N -3.30 6.79 0.00 2.55 7.64 -1.26 -4.90 113.62 121.14 2jqj n SER 28 Ca 0.11 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.69 2jqj n SER 28 Cb 0.52 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2jqj n SER 28 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jqj n SER 29 N 0.17 0.00 -3.06 6.43 7.64 -1.26 -5.02 113.62 118.52 2jqj n SER 29 Ca 0.43 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.30 2jqj n SER 29 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2jqj n SER 29 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jqj n GLU 30 N -0.08 -1.34 0.00 1.43 1.02 -1.26 -5.05 120.64 115.36 2jqj n GLU 30 Ca 0.00 1.48 0.00 0.00 -0.02 0.00 0.00 57.16 58.62 2jqj n GLU 30 Cb 0.00 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 25.67 2jqj n GLU 30 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jqj n TYR 31 N -1.81 0.00 -3.83 -0.32 4.02 -1.26 -5.05 117.16 108.90 2jqj n TYR 31 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 2jqj n TYR 31 Cb 0.50 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.68 2jqj n TYR 31 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2jqj s THR 32 N 2.20 -0.02 0.52 -0.72 -4.23 -1.26 -5.03 115.64 107.10 2jqj s THR 32 Ca 0.00 0.08 -0.23 0.00 -1.18 0.00 0.00 61.69 60.36 2jqj s THR 32 Cb 0.00 -0.05 -0.06 0.00 1.34 0.00 0.00 72.50 73.73 2jqj s THR 32 CO 0.00 0.03 1.39 0.00 -0.54 0.00 0.00 174.62 175.50 2jqj n LEU 34 N -0.76 0.00 0.00 0.00 7.94 -1.02 -4.84 117.00 118.32 2jqj n LEU 34 Ca 0.09 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.92 2jqj n LEU 34 Cb 0.44 0.11 -0.00 0.00 0.53 0.00 0.00 43.42 44.49 2jqj n LEU 34 CO 0.55 -0.21 0.18 0.61 -1.11 0.00 0.00 177.39 177.41 2jqj n GLY 35 N -0.11 2.11 3.34 -3.96 0.00 -1.00 -1.61 105.19 103.96 2jqj n GLY 35 Ca 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 2jqj n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jqj s HIS 36 N -4.32 0.47 -0.04 1.61 3.76 -0.96 0.37 115.29 116.19 2jqj s HIS 36 Ca 0.14 -0.83 0.04 0.00 -0.15 0.00 0.00 55.06 54.26 2jqj s HIS 36 Cb -0.01 -0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.58 2jqj s HIS 36 CO 0.10 -0.73 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.59 2jqj s LEU 37 N -2.99 1.91 -0.24 0.89 1.02 0.11 -2.68 118.68 116.70 2jqj s LEU 37 Ca 0.20 -0.32 -0.10 0.00 0.02 0.00 0.00 54.13 53.93 2jqj s LEU 37 Cb 0.03 -0.89 -0.04 0.00 0.02 0.00 0.00 46.19 45.30 2jqj s LEU 37 CO 0.02 0.15 0.14 -0.69 0.02 0.00 0.00 176.35 175.98 2jqj s VAL 38 N 0.00 5.07 -0.24 -1.59 1.01 0.25 -0.48 120.40 124.43 2jqj s VAL 38 Ca -0.02 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 2jqj s VAL 38 Cb -0.10 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2jqj s VAL 38 CO 0.02 0.34 0.60 0.20 0.00 0.00 0.00 175.10 176.26 2jqj s ASN 39 N 1.23 6.57 -0.45 3.32 0.01 0.10 -0.00 114.94 125.72 2jqj s ASN 39 Ca 0.06 0.70 -0.17 0.00 -0.71 0.00 0.00 52.86 52.75 2jqj s ASN 39 Cb -0.14 -2.33 0.04 0.00 0.41 0.00 0.00 41.25 39.23 2jqj s ASN 39 CO 0.05 -0.33 0.43 -0.76 -1.51 0.00 0.00 177.10 174.99 2jqj s LEU 40 N 2.31 5.16 -0.05 0.60 1.43 -0.38 -2.96 118.68 124.79 2jqj s LEU 40 Ca 0.26 -0.96 0.05 0.00 -1.03 0.00 0.00 54.13 52.45 2jqj s LEU 40 Cb -0.16 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 2jqj s LEU 40 CO 0.09 -0.63 -0.19 -0.63 0.23 0.00 0.00 176.35 175.21 2jqj s ILE 41 N 1.99 2.60 0.58 -0.59 1.09 -0.69 -4.40 121.20 121.77 2jqj s ILE 41 Ca 0.09 -0.89 0.36 0.00 -1.10 0.00 0.00 60.65 59.10 2jqj s ILE 41 Cb -0.20 -1.98 0.52 0.00 -1.06 0.00 0.00 42.46 39.74 2jqj s ILE 41 CO 0.11 0.58 1.61 -0.65 -0.10 0.00 0.00 174.94 176.48 2jqj h PRO 42 N 5.57 0.00 -0.40 2.79 0.11 -1.98 -2.38 132.00 135.72 2jqj h PRO 42 Ca -0.42 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.43 2jqj h PRO 42 Cb 1.15 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.97 2jqj h PRO 42 CO 0.49 0.00 -0.77 0.41 -0.21 0.00 0.00 178.00 177.92 2jqj n GLY 43 N -1.74 1.65 3.61 -0.55 0.00 -1.26 -5.12 105.19 101.78 2jqj n GLY 43 Ca 0.26 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2jqj n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jqj s LYS 44 N -1.78 0.01 -0.10 1.61 2.47 -0.90 -5.17 119.74 115.88 2jqj s LYS 44 Ca 0.22 -0.00 -0.07 0.00 -1.56 0.00 0.00 55.97 54.56 2jqj s LYS 44 Cb 0.41 0.00 0.04 0.00 -1.46 0.00 0.00 37.83 36.82 2jqj s LYS 44 CO -0.05 -0.00 0.25 -2.00 0.16 0.00 0.00 175.35 173.71 2jqj s GLU 45 N -2.01 0.25 0.04 4.03 2.12 -1.26 -1.71 118.70 120.15 2jqj s GLU 45 Ca 0.13 0.46 0.05 0.00 0.36 0.00 0.00 54.97 55.97 2jqj s GLU 45 Cb 0.03 -0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 2jqj s GLU 45 CO -0.04 -0.11 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.29 2jqj s GLN 46 N 0.77 0.97 -0.11 4.30 2.00 -1.16 -4.97 119.66 121.47 2jqj s GLN 46 Ca -0.05 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.55 2jqj s GLN 46 Cb -0.06 -0.99 -0.02 0.00 0.80 0.00 0.00 33.01 32.73 2jqj s GLN 46 CO -0.05 0.25 -0.11 0.15 -0.50 0.00 0.00 175.29 175.02 2jqj s LYS 47 N -1.12 3.17 0.11 1.67 -0.14 -1.26 0.02 119.74 122.18 2jqj s LYS 47 Ca 0.02 -0.65 0.10 0.00 -1.36 0.00 0.00 55.97 54.08 2jqj s LYS 47 Cb -0.08 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.42 2jqj s LYS 47 CO 0.01 0.36 -0.25 0.08 -0.76 0.00 0.00 175.35 174.79 2jqj s VAL 48 N -0.01 2.03 -0.17 3.17 1.01 0.37 -4.95 120.40 121.86 2jqj s VAL 48 Ca -0.03 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.28 2jqj s VAL 48 Cb -0.14 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2jqj s VAL 48 CO 0.04 0.07 -0.01 -0.70 0.00 0.00 0.00 175.10 174.50 2jqj s GLU 49 N -1.89 3.71 -0.15 2.72 2.12 -1.26 0.04 118.70 123.98 2jqj s GLU 49 Ca 0.11 -0.49 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 2jqj s GLU 49 Cb -0.10 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 2jqj s GLU 49 CO 0.05 0.19 0.02 -1.50 -0.54 0.00 0.00 175.26 173.48 2jqj s ILE 50 N 0.53 4.43 0.42 -3.70 2.07 0.16 -4.94 121.20 120.17 2jqj s ILE 50 Ca -0.01 -0.17 0.06 0.00 -1.41 0.00 0.00 60.65 59.12 2jqj s ILE 50 Cb -0.14 -2.95 0.01 0.00 0.13 0.00 0.00 42.46 39.50 2jqj s ILE 50 CO 0.02 0.50 0.58 0.42 -1.91 0.00 0.00 174.94 174.56 2jqj s THR 51 N 0.10 3.29 -1.42 4.00 -4.23 -1.26 -2.38 115.64 113.74 2jqj s THR 51 Ca 0.03 -0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 59.54 2jqj s THR 51 Cb -0.13 -3.14 0.06 0.00 1.34 0.00 0.00 72.50 70.64 2jqj s THR 51 CO 0.02 -0.06 2.44 -0.46 -0.54 0.00 0.00 174.62 176.01 2jqj n ASN 52 N -1.89 7.27 -0.15 3.99 0.23 -1.14 -4.61 115.26 118.96 2jqj n ASN 52 Ca 0.05 -2.94 0.13 0.00 -0.53 0.00 0.00 54.58 51.29 2jqj n ASN 52 Cb 0.59 -1.47 0.69 0.00 -2.08 0.00 0.00 39.78 37.51 2jqj n ASN 52 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jqj n ARG 53 N 3.11 1.20 0.00 -3.83 0.63 -1.26 -4.88 116.66 111.63 2jqj n ARG 53 Ca 0.62 -0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 2jqj n ARG 53 Cb 0.28 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.77 2jqj n ARG 53 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2jqj n ASN 54 N -0.58 0.00 -3.95 6.15 2.85 -0.82 -4.80 115.26 114.11 2jqj n ASN 54 Ca 0.19 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.52 2jqj n ASN 54 Cb 0.16 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.04 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jqj s VAL 55 N 0.00 0.35 -0.10 3.44 1.01 -1.26 -1.57 120.40 122.26 2jqj s VAL 55 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2jqj s VAL 55 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.08 2jqj s VAL 55 CO 0.00 0.03 -0.16 -0.89 0.00 0.00 0.00 175.10 174.08 2jqj s THR 56 N -0.27 1.51 -0.11 3.92 2.01 0.53 -4.84 115.64 118.39 2jqj s THR 56 Ca -0.00 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2jqj s THR 56 Cb -0.03 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2jqj s THR 56 CO -0.00 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.85 2jqj s THR 57 N 0.85 4.85 -0.04 -0.82 -4.23 -1.26 -0.76 115.64 114.22 2jqj s THR 57 Ca -0.10 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 2jqj s THR 57 Cb -0.15 -3.08 0.01 0.00 1.34 0.00 0.00 72.50 70.61 2jqj s THR 57 CO 0.01 0.60 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.95 2jqj s ILE 58 N -0.83 0.92 -3.78 2.99 1.09 -0.85 0.14 121.20 120.88 2jqj s ILE 58 Ca 0.13 -0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.29 2jqj s ILE 58 Cb -0.12 -0.84 0.00 0.00 -1.06 0.00 0.00 42.46 40.44 2jqj s ILE 58 CO 0.03 0.30 0.00 0.61 -0.10 0.00 0.00 174.94 175.77 2jqj n GLY 59 N 3.59 -0.56 0.12 6.18 0.00 -1.01 -1.91 105.19 111.60 2jqj n GLY 59 Ca -0.21 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 2jqj n GLY 59 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jqj h ARG 60 N 0.00 0.17 -6.37 1.61 2.43 -1.68 -2.96 114.38 107.57 2jqj h ARG 60 Ca 0.00 -0.30 -0.63 0.00 -0.81 0.00 0.00 59.98 58.24 2jqj h ARG 60 Cb 0.00 0.11 0.05 0.00 -0.42 0.00 0.00 29.97 29.71 2jqj h ARG 60 CO 0.00 1.14 0.69 -1.13 -1.51 0.00 0.00 179.97 179.16 2jqj n SER 61 N -4.08 2.50 0.21 -3.80 3.41 -1.26 -4.83 113.62 105.77 2jqj n SER 61 Ca -0.25 1.09 0.14 0.00 -0.26 0.00 0.00 58.87 59.60 2jqj n SER 61 Cb 0.82 -1.31 0.71 0.00 -0.26 0.00 0.00 64.21 64.16 2jqj n SER 61 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2jqj h ARG 62 N 5.69 0.00 0.00 4.33 -0.00 -1.96 -1.68 114.38 120.75 2jqj h ARG 62 Ca -0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.45 2jqj h ARG 62 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.25 2jqj h ARG 62 CO 0.85 0.00 -0.32 0.77 -0.00 0.00 0.00 179.97 181.27 2jqj h SER 63 N 0.00 0.00 -4.19 0.08 0.02 -1.98 -3.45 113.55 104.03 2jqj h SER 63 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2jqj h SER 63 Cb 0.16 0.00 0.19 0.00 0.14 0.00 0.00 62.40 62.89 2jqj h SER 63 CO 0.00 0.32 0.32 0.00 -1.14 0.00 0.00 176.83 176.33 2jqj h ASP 65 N -1.01 0.42 -3.68 0.00 1.82 0.86 -3.43 116.42 111.39 2jqj h ASP 65 Ca -0.46 -0.11 -0.58 0.00 -0.39 0.00 0.00 57.03 55.49 2jqj h ASP 65 Cb 1.30 -0.11 -0.32 0.00 0.68 0.00 0.00 39.33 40.88 2jqj h ASP 65 CO 0.45 0.41 -0.84 -0.69 -1.61 0.00 0.00 179.24 176.96 2jqj s VAL 66 N -5.77 1.51 -0.32 2.25 1.01 0.20 -4.91 120.40 114.38 2jqj s VAL 66 Ca -0.13 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 2jqj s VAL 66 Cb 0.09 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 2jqj s VAL 66 CO 0.73 0.44 0.16 -0.63 0.00 0.00 0.00 175.10 175.79 2jqj s ILE 67 N 0.24 4.60 0.00 2.22 1.01 -1.26 -2.41 121.20 125.60 2jqj s ILE 67 Ca -0.09 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.10 2jqj s ILE 67 Cb -0.14 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2jqj s ILE 67 CO 0.04 0.04 0.00 0.18 0.00 0.00 0.00 174.94 175.20 2jqj n LEU 68 N 4.98 0.00 0.00 2.97 4.77 -1.12 -4.98 117.00 123.62 2jqj n LEU 68 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2jqj n LEU 68 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2jqj n LEU 68 CO 0.34 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.20 2jqj n SER 69 N 0.00 0.00 0.00 -1.43 7.64 -1.26 -4.98 113.62 113.59 2jqj n SER 69 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jqj n SER 69 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jqj n SER 69 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jqj n GLU 70 N 0.00 0.00 -0.38 1.43 1.02 -1.26 -4.94 120.64 116.51 2jqj n GLU 70 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2jqj n GLU 70 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.56 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jqj h PRO 71 N 0.00 1.26 -0.06 3.49 0.13 -2.01 -2.97 132.00 131.84 2jqj h PRO 71 Ca 0.00 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 2jqj h PRO 71 Cb 0.00 -0.28 -0.02 0.00 0.13 0.00 0.00 31.00 30.83 2jqj h PRO 71 CO 0.00 0.83 -0.30 -0.40 -0.23 0.00 0.00 178.00 177.90 2jqj n ASP 72 N -4.43 2.07 -4.45 1.44 5.75 -1.26 -5.01 116.55 110.66 2jqj n ASP 72 Ca 0.13 -3.66 -0.34 0.00 -0.01 0.00 0.00 54.79 50.92 2jqj n ASP 72 Cb 0.08 -0.52 -0.13 0.00 -1.03 0.00 0.00 41.12 39.52 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2jqj s ILE 73 N -3.14 3.77 0.17 2.12 1.10 -1.12 -4.96 121.20 119.14 2jqj s ILE 73 Ca 0.38 -0.39 -0.30 0.00 -0.51 0.00 0.00 60.65 59.83 2jqj s ILE 73 Cb 0.35 -2.67 -0.08 0.00 0.15 0.00 0.00 42.46 40.22 2jqj s ILE 73 CO -0.03 0.47 1.23 -0.44 -2.11 0.00 0.00 174.94 174.06 2jqj s SER 74 N 0.63 7.04 0.25 4.50 0.01 -1.26 -4.07 113.70 120.80 2jqj s SER 74 Ca -0.02 2.24 -0.03 0.00 1.31 0.00 0.00 55.95 59.45 2jqj s SER 74 Cb -0.14 -2.60 0.51 0.00 0.21 0.00 0.00 66.02 63.99 2jqj s SER 74 CO 0.02 -0.42 1.72 0.74 0.41 0.00 0.00 173.24 175.71 2jqj h THR 75 N 3.85 0.62 -0.46 1.44 2.02 -1.91 -0.36 112.91 118.12 2jqj h THR 75 Ca -0.44 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2jqj h THR 75 Cb 1.21 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2jqj h THR 75 CO 0.76 0.08 0.00 2.22 0.37 0.00 0.00 175.52 178.95 2jqj n PHE 76 N -5.01 0.95 0.00 3.16 -1.74 -1.26 -4.02 117.46 109.54 2jqj n PHE 76 Ca 0.16 -0.62 0.00 0.00 -0.56 0.00 0.00 57.45 56.42 2jqj n PHE 76 Cb 0.46 -0.16 0.00 0.00 1.52 0.00 0.00 39.48 41.30 2jqj n PHE 76 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 2jqj n HIS 77 N 0.56 0.00 -3.79 2.97 -0.00 -0.15 -4.48 115.22 110.34 2jqj n HIS 77 Ca 0.19 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.28 2jqj n HIS 77 Cb 0.70 -0.01 -0.05 0.00 -0.12 0.00 0.00 29.99 30.51 2jqj n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jqj s ALA 78 N -1.01 -0.65 -0.06 1.57 0.00 -1.15 -3.81 121.76 116.64 2jqj s ALA 78 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.58 2jqj s ALA 78 Cb 0.00 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.96 2jqj s ALA 78 CO 0.00 -0.73 -0.10 -1.21 0.00 0.00 0.00 175.76 173.72 2jqj s GLU 79 N -3.89 1.49 -0.09 0.00 2.02 -1.07 -2.00 118.70 115.15 2jqj s GLU 79 Ca 0.10 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.81 2jqj s GLU 79 Cb 0.01 -1.29 -0.00 0.00 0.10 0.00 0.00 34.13 32.94 2jqj s GLU 79 CO -0.04 -0.02 -0.23 -0.06 0.02 0.00 0.00 175.26 174.93 2jqj s PHE 80 N 0.82 2.56 -0.33 1.61 0.40 0.06 -1.34 117.98 121.75 2jqj s PHE 80 Ca -0.12 -0.94 -0.17 0.00 -0.60 0.00 0.00 56.93 55.10 2jqj s PHE 80 Cb -0.15 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.67 2jqj s PHE 80 CO 0.02 -0.36 0.45 -1.01 0.70 0.00 0.00 175.22 175.03 2jqj s HIS 81 N 0.23 3.21 -0.36 0.36 3.76 -0.66 0.20 115.29 122.02 2jqj s HIS 81 Ca -0.15 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.88 2jqj s HIS 81 Cb -0.17 -2.79 0.04 0.00 1.11 0.00 0.00 32.58 30.77 2jqj s HIS 81 CO 0.08 -0.44 0.17 -1.17 -0.85 0.00 0.00 174.74 172.53 2jqj s LEU 82 N 2.24 4.58 -0.02 0.89 2.96 -0.61 -2.07 118.68 126.65 2jqj s LEU 82 Ca 0.17 -1.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.06 2jqj s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2jqj s LEU 82 CO 0.12 -0.37 -0.23 -1.48 -1.32 0.00 0.00 176.35 173.07 2jqj s LEU 83 N 1.48 2.05 -0.11 -0.68 2.34 -1.17 -1.94 118.68 120.65 2jqj s LEU 83 Ca 0.00 -0.42 -0.03 0.00 0.06 0.00 0.00 54.13 53.74 2jqj s LEU 83 Cb -0.20 -1.19 -0.03 0.00 -0.56 0.00 0.00 46.19 44.21 2jqj s LEU 83 CO 0.05 0.28 0.02 -1.58 -1.06 0.00 0.00 176.35 174.06 2jqj s GLN 84 N -0.56 3.27 -0.11 1.48 -0.44 -1.26 -2.75 119.66 119.29 2jqj s GLN 84 Ca 0.09 -0.38 -0.03 0.00 -2.50 0.00 0.00 55.36 52.54 2jqj s GLN 84 Cb -0.09 -2.91 -0.03 0.00 -1.64 0.00 0.00 33.01 28.34 2jqj s GLN 84 CO -0.01 0.59 -0.00 -1.64 0.50 0.00 0.00 175.29 174.73 2jqj s MET 85 N -0.55 3.24 -0.32 1.67 -1.94 0.16 -5.00 119.30 116.55 2jqj s MET 85 Ca 0.10 -0.42 -0.14 0.00 -1.71 0.00 0.00 55.69 53.51 2jqj s MET 85 Cb -0.12 -2.86 -0.02 0.00 2.01 0.00 0.00 34.83 33.84 2jqj s MET 85 CO 0.02 0.56 0.32 0.16 -0.01 0.00 0.00 175.02 176.07 2jqj s ASP 86 N -0.48 6.15 -0.00 3.03 1.47 -1.26 -2.74 116.67 122.83 2jqj s ASP 86 Ca 0.08 -0.18 0.00 0.00 1.18 0.00 0.00 52.55 53.64 2jqj s ASP 86 Cb -0.12 -2.18 0.00 0.00 -0.34 0.00 0.00 42.92 40.28 2jqj s ASP 86 CO 0.02 -0.26 0.00 -0.69 0.68 0.00 0.00 175.17 174.92 2jqj s VAL 87 N 1.94 -0.00 0.19 2.11 1.01 -1.25 -5.04 120.40 119.35 2jqj s VAL 87 Ca 0.10 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 2jqj s VAL 87 Cb -0.17 -0.02 0.15 0.00 0.00 0.00 0.00 36.38 36.35 2jqj s VAL 87 CO 0.11 0.01 1.62 -2.24 0.00 0.00 0.00 175.10 174.60 2jqj h ASP 88 N 6.25 -0.74 0.16 3.32 2.03 -2.04 -2.77 116.42 122.63 2jqj h ASP 88 Ca -0.26 0.18 -0.00 0.00 -0.73 0.00 0.00 57.03 56.22 2jqj h ASP 88 Cb 1.20 0.41 -0.01 0.00 -0.83 0.00 0.00 39.33 40.10 2jqj h ASP 88 CO 0.51 -0.24 -0.22 -1.13 -1.03 0.00 0.00 179.24 177.13 2jqj h ASN 89 N -0.09 -0.63 -4.95 4.15 -0.00 -1.97 -3.47 115.58 108.62 2jqj h ASN 89 Ca 0.24 0.06 0.05 0.00 -0.00 0.00 0.00 56.30 56.65 2jqj h ASN 89 Cb 0.47 0.22 -0.11 0.00 -0.00 0.00 0.00 38.32 38.89 2jqj h ASN 89 CO -0.58 -0.27 0.32 -0.36 -0.00 0.00 0.00 177.43 176.54 2jqj s PHE 90 N -4.21 -0.37 -0.07 0.67 0.08 -1.05 -5.08 117.98 107.95 2jqj s PHE 90 Ca -0.07 0.12 -0.27 0.00 0.12 0.00 0.00 56.93 56.83 2jqj s PHE 90 Cb 0.02 0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 43.04 2jqj s PHE 90 CO 0.26 -0.84 0.86 1.14 -0.10 0.00 0.00 175.22 176.54 2jqj s GLN 91 N -3.56 4.45 -0.16 0.44 -2.07 -1.26 -3.85 119.66 113.64 2jqj s GLN 91 Ca 0.05 1.16 -0.04 0.00 -1.82 0.00 0.00 55.36 54.71 2jqj s GLN 91 Cb -0.02 -3.49 -0.03 0.00 -1.09 0.00 0.00 33.01 28.38 2jqj s GLN 91 CO -0.06 -0.11 -0.02 1.03 -1.32 0.00 0.00 175.29 174.81 2jqj s ARG 92 N 1.33 3.72 -0.21 9.60 1.81 -1.11 -4.95 118.95 129.14 2jqj s ARG 92 Ca 0.44 -0.49 -0.03 0.00 -1.72 0.00 0.00 55.73 53.94 2jqj s ARG 92 Cb -0.19 -2.97 -0.00 0.00 -0.45 0.00 0.00 34.95 31.34 2jqj s ARG 92 CO 0.20 0.24 -0.08 -0.80 -0.68 0.00 0.00 175.30 174.17 2jqj s ASN 93 N 0.39 3.99 -0.12 0.23 0.02 -1.26 -0.67 114.94 117.52 2jqj s ASN 93 Ca -0.03 -0.46 0.01 0.00 -1.02 0.00 0.00 52.86 51.36 2jqj s ASN 93 Cb -0.14 -1.67 -0.01 0.00 0.02 0.00 0.00 41.25 39.45 2jqj s ASN 93 CO 0.02 -0.01 -0.16 -0.76 0.02 0.00 0.00 177.10 176.21 2jqj s LEU 94 N 1.43 2.56 -0.08 0.60 1.43 -1.11 -4.94 118.68 118.57 2jqj s LEU 94 Ca 0.06 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2jqj s LEU 94 Cb -0.14 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 2jqj s LEU 94 CO -0.06 0.17 -0.15 -0.63 0.23 0.00 0.00 176.35 175.91 2jqj s ILE 95 N 0.33 2.97 -0.06 -0.59 1.09 -1.13 -3.06 121.20 120.75 2jqj s ILE 95 Ca -0.13 -0.73 0.03 0.00 -1.10 0.00 0.00 60.65 58.72 2jqj s ILE 95 Cb -0.16 -2.18 -0.02 0.00 -1.06 0.00 0.00 42.46 39.03 2jqj s ILE 95 CO 0.06 0.57 -0.14 0.21 -0.10 0.00 0.00 174.94 175.54 2jqj s ASN 96 N -0.30 4.00 -0.16 3.58 2.47 -0.88 1.00 114.94 124.65 2jqj s ASN 96 Ca 0.02 -0.22 -0.08 0.00 0.42 0.00 0.00 52.86 53.01 2jqj s ASN 96 Cb -0.13 -0.93 -0.04 0.00 -1.45 0.00 0.00 41.25 38.70 2jqj s ASN 96 CO 0.03 0.32 0.12 -0.69 -3.72 0.00 0.00 177.10 173.15 2jqj s VAL 97 N -0.60 5.29 -0.04 -5.21 1.01 0.80 -1.65 120.40 120.00 2jqj s VAL 97 Ca 0.09 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2jqj s VAL 97 Cb -0.11 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2jqj s VAL 97 CO 0.01 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.89 2jqj s ILE 98 N -0.32 1.09 -0.27 2.22 1.01 -0.45 -2.90 121.20 121.58 2jqj s ILE 98 Ca 0.11 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 2jqj s ILE 98 Cb -0.12 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 2jqj s ILE 98 CO 0.01 0.33 0.09 1.51 0.00 0.00 0.00 174.94 176.88 2jqj s ASP 99 N 0.18 5.27 -0.09 3.58 -4.77 -1.26 -2.61 116.67 116.96 2jqj s ASP 99 Ca -0.05 -0.28 0.21 0.00 -3.30 0.00 0.00 52.55 49.12 2jqj s ASP 99 Cb -0.11 -1.95 0.43 0.00 -1.09 0.00 0.00 42.92 40.21 2jqj s ASP 99 CO 0.01 -0.08 1.18 0.29 0.70 0.00 0.00 175.17 177.28 2jqj n LYS 100 N 4.94 0.75 -4.16 2.11 5.02 -1.26 -4.97 118.16 120.59 2jqj n LYS 100 Ca -0.15 -2.59 -0.14 0.00 -2.02 0.00 0.00 58.31 53.40 2jqj n LYS 100 Cb 0.51 -0.70 -0.07 0.00 -0.02 0.00 0.00 35.03 34.75 2jqj n LYS 100 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jqj s SER 101 N -2.57 0.71 -0.11 4.39 0.01 -1.25 -4.88 113.70 110.00 2jqj s SER 101 Ca 0.35 -1.44 0.18 0.00 1.31 0.00 0.00 55.95 56.36 2jqj s SER 101 Cb 0.38 0.53 0.43 0.00 0.21 0.00 0.00 66.02 67.57 2jqj s SER 101 CO -0.12 -1.07 1.19 0.54 0.41 0.00 0.00 173.24 174.19 2jqj n ARG 102 N -0.46 0.88 0.04 12.44 1.74 -1.26 -4.78 116.66 125.27 2jqj n ARG 102 Ca 0.03 -2.71 -0.15 0.00 -0.77 0.00 0.00 57.85 54.25 2jqj n ARG 102 Cb 0.63 -0.86 -0.14 0.00 -1.02 0.00 0.00 32.46 31.07 2jqj n ARG 102 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2jqj h ASN 103 N 1.06 0.28 0.00 0.55 4.21 -1.97 -3.49 115.58 116.22 2jqj h ASN 103 Ca -0.10 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 56.99 2jqj h ASN 103 Cb 1.45 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.55 2jqj h ASN 103 CO 0.07 1.35 0.00 0.61 -1.29 0.00 0.00 177.43 178.17 2jqj n GLY 104 N 1.64 1.58 3.51 2.83 0.00 -1.26 -4.80 105.19 108.69 2jqj n GLY 104 Ca -0.16 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2jqj n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqj s THR 105 N 0.00 4.20 -0.19 2.61 2.01 -1.26 0.91 115.64 123.92 2jqj s THR 105 Ca 0.00 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2jqj s THR 105 Cb 0.00 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.65 2jqj s THR 105 CO 0.00 0.44 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.84 2jqj s PHE 106 N 0.73 2.76 -0.08 4.92 0.08 0.85 -4.01 117.98 123.23 2jqj s PHE 106 Ca 0.01 -1.71 0.02 0.00 0.12 0.00 0.00 56.93 55.37 2jqj s PHE 106 Cb -0.14 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 2jqj s PHE 106 CO 0.02 -0.80 -0.12 -1.50 -0.10 0.00 0.00 175.22 172.72 2jqj s ILE 107 N 1.29 3.25 -1.62 0.64 1.10 -0.60 0.13 121.20 125.39 2jqj s ILE 107 Ca 0.02 -0.63 0.00 0.00 -0.51 0.00 0.00 60.65 59.53 2jqj s ILE 107 Cb -0.14 -2.32 0.00 0.00 0.15 0.00 0.00 42.46 40.15 2jqj s ILE 107 CO -0.11 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.88 2jqj n ASN 108 N 2.62 -5.21 -0.18 4.50 5.03 0.19 -1.48 115.26 120.73 2jqj n ASN 108 Ca -0.18 0.09 -0.02 0.00 0.87 0.00 0.00 54.58 55.34 2jqj n ASN 108 Cb 0.52 -4.29 -0.01 0.00 -1.02 0.00 0.00 39.78 34.99 2jqj n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqj n GLY 109 N -0.96 0.50 3.12 7.41 0.00 -1.26 -4.99 105.19 109.02 2jqj n GLY 109 Ca -0.21 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 2jqj n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqj s ASN 110 N -2.25 1.21 0.06 1.61 0.01 -0.55 -5.13 114.94 109.91 2jqj s ASN 110 Ca 0.00 -0.66 -0.31 0.00 -0.71 0.00 0.00 52.86 51.18 2jqj s ASN 110 Cb 0.00 0.01 -0.06 0.00 0.41 0.00 0.00 41.25 41.62 2jqj s ASN 110 CO 0.00 -0.21 1.22 -0.60 -1.51 0.00 0.00 177.10 176.00 2jqj s ARG 111 N -2.08 4.42 0.18 -0.60 3.52 -1.26 -1.56 118.95 121.55 2jqj s ARG 111 Ca -0.03 1.80 -0.16 0.00 -0.13 0.00 0.00 55.73 57.21 2jqj s ARG 111 Cb -0.07 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.90 2jqj s ARG 111 CO 0.00 -0.29 0.62 -0.48 -0.81 0.00 0.00 175.30 174.34 2jqj s LEU 112 N 1.12 4.34 -0.06 -0.88 0.05 -1.26 -4.94 118.68 117.04 2jqj s LEU 112 Ca 0.59 1.21 0.21 0.00 0.05 0.00 0.00 54.13 56.19 2jqj s LEU 112 Cb -0.30 -3.39 0.39 0.00 -2.05 0.00 0.00 46.19 40.83 2jqj s LEU 112 CO 0.29 0.07 1.15 1.33 -0.55 0.00 0.00 176.35 178.64 2jqj n VAL 113 N 0.76 0.23 -3.81 1.48 0.24 -1.26 -5.04 118.33 110.94 2jqj n VAL 113 Ca -0.04 -1.22 -0.12 0.00 -2.04 0.00 0.00 64.34 60.92 2jqj n VAL 113 Cb 0.52 0.99 -0.09 0.00 -1.47 0.00 0.00 33.84 33.78 2jqj n VAL 113 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2jqj s LYS 114 N -0.69 0.57 -0.52 7.34 2.36 -1.26 -5.04 119.74 122.50 2jqj s LYS 114 Ca 0.27 -0.25 0.01 0.00 -2.55 0.00 0.00 55.97 53.46 2jqj s LYS 114 Cb 0.33 0.25 0.52 0.00 -1.05 0.00 0.00 37.83 37.88 2jqj s LYS 114 CO -0.12 -0.15 1.94 1.63 1.55 0.00 0.00 175.35 180.21 2jqj n LYS 115 N 1.44 2.36 -2.69 4.03 5.02 -1.26 -4.35 118.16 122.71 2jqj n LYS 115 Ca -0.22 -2.93 -0.08 0.00 -2.02 0.00 0.00 58.31 53.07 2jqj n LYS 115 Cb 0.56 -2.15 0.09 0.00 -0.02 0.00 0.00 35.03 33.51 2jqj n LYS 115 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jqj n ASP 116 N -0.90 -0.71 -4.75 4.39 2.03 -1.26 -4.86 116.55 110.49 2jqj n ASP 116 Ca 0.57 -2.58 -0.40 0.00 0.52 0.00 0.00 54.79 52.91 2jqj n ASP 116 Cb 1.14 0.47 -0.05 0.00 -0.72 0.00 0.00 41.12 41.96 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jqj s TYR 117 N -0.99 3.81 -0.31 -0.67 6.14 -1.14 -4.93 117.35 119.26 2jqj s TYR 117 Ca 0.24 1.58 -0.13 0.00 0.64 0.00 0.00 57.07 59.39 2jqj s TYR 117 Cb 0.42 -2.83 -0.03 0.00 0.42 0.00 0.00 41.96 39.94 2jqj s TYR 117 CO -0.04 0.36 0.28 -1.50 0.64 0.00 0.00 175.55 175.28 2jqj s ILE 118 N -0.46 5.24 -0.14 3.14 1.10 -1.26 -0.14 121.20 128.67 2jqj s ILE 118 Ca 0.38 0.08 -0.06 0.00 -0.51 0.00 0.00 60.65 60.54 2jqj s ILE 118 Cb -0.22 -3.69 -0.04 0.00 0.15 0.00 0.00 42.46 38.66 2jqj s ILE 118 CO 0.25 0.06 0.07 -0.22 -2.11 0.00 0.00 174.94 173.00 2jqj s LEU 119 N 1.87 3.96 0.39 8.50 0.20 0.28 -4.95 118.68 128.92 2jqj s LEU 119 Ca 0.09 0.22 0.04 0.00 0.69 0.00 0.00 54.13 55.18 2jqj s LEU 119 Cb -0.17 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 2jqj s LEU 119 CO 0.11 0.30 0.16 -0.54 -0.29 0.00 0.00 176.35 176.08 2jqj s LYS 120 N -0.37 1.88 0.44 1.98 1.02 -1.26 -2.82 119.74 120.61 2jqj s LYS 120 Ca 0.10 -2.14 -0.25 0.00 0.02 0.00 0.00 55.97 53.69 2jqj s LYS 120 Cb -0.12 -0.42 -0.08 0.00 -0.52 0.00 0.00 37.83 36.68 2jqj s LYS 120 CO 0.02 -0.51 1.39 0.54 -0.92 0.00 0.00 175.35 175.87 2jqj s ASN 121 N -3.56 5.99 -0.48 2.83 4.22 -1.26 -3.30 114.94 119.38 2jqj s ASN 121 Ca 0.27 2.84 -0.03 0.00 -2.14 0.00 0.00 52.86 53.80 2jqj s ASN 121 Cb 0.03 -2.65 0.00 0.00 1.28 0.00 0.00 41.25 39.91 2jqj s ASN 121 CO 0.17 -1.09 0.42 0.61 -2.04 0.00 0.00 177.10 175.17 2jqj n GLY 122 N 0.60 0.34 3.24 0.45 0.00 0.48 -4.96 105.19 105.35 2jqj n GLY 122 Ca 0.05 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2jqj n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jqj s ASP 123 N -3.21 3.39 -0.27 1.61 1.11 -1.17 -4.99 116.67 113.15 2jqj s ASP 123 Ca 0.16 -0.51 -0.27 0.00 0.18 0.00 0.00 52.55 52.11 2jqj s ASP 123 Cb -0.07 -1.49 0.01 0.00 1.07 0.00 0.00 42.92 42.43 2jqj s ASP 123 CO 0.27 0.12 0.95 -0.60 1.18 0.00 0.00 175.17 177.08 2jqj s ARG 124 N 0.61 4.13 -0.18 8.23 3.52 -1.26 -2.42 118.95 131.58 2jqj s ARG 124 Ca -0.11 1.03 -0.01 0.00 -0.13 0.00 0.00 55.73 56.51 2jqj s ARG 124 Cb -0.16 -3.68 -0.00 0.00 -1.56 0.00 0.00 34.95 29.54 2jqj s ARG 124 CO 0.03 -0.68 -0.11 0.42 -0.81 0.00 0.00 175.30 174.14 2jqj s ILE 125 N 3.18 2.89 -0.12 4.11 1.01 0.22 0.56 121.20 133.05 2jqj s ILE 125 Ca 0.40 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.40 2jqj s ILE 125 Cb -0.14 -2.26 -0.00 0.00 0.01 0.00 0.00 42.46 40.06 2jqj s ILE 125 CO 0.10 0.48 -0.20 -0.69 0.00 0.00 0.00 174.94 174.63 2jqj s VAL 126 N 1.12 2.31 -0.09 2.92 1.01 0.12 0.79 120.40 128.59 2jqj s VAL 126 Ca 0.01 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2jqj s VAL 126 Cb -0.14 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2jqj s VAL 126 CO -0.03 0.54 -0.09 -0.36 0.00 0.00 0.00 175.10 175.17 2jqj s PHE 127 N 0.52 2.89 0.00 5.22 0.08 0.25 -0.10 117.98 126.84 2jqj s PHE 127 Ca -0.13 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.77 2jqj s PHE 127 Cb -0.17 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2jqj s PHE 127 CO 0.05 0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.76 2jqj n GLY 128 N 2.61 1.32 0.00 4.36 0.00 0.26 -2.89 105.19 110.85 2jqj n GLY 128 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2jqj n GLY 128 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqj n LYS 129 N 0.00 0.00 -0.04 1.61 0.00 -1.26 -4.61 118.16 113.86 2jqj n LYS 129 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.09 2jqj n LYS 129 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2jqj n SER 130 N 0.00 2.05 -4.52 3.14 3.41 -1.25 -4.85 113.62 111.60 2jqj n SER 130 Ca 0.00 0.24 -0.45 0.00 -0.26 0.00 0.00 58.87 58.39 2jqj n SER 130 Cb 0.00 -0.85 -0.05 0.00 -0.26 0.00 0.00 64.21 63.04 2jqj n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqj s SER 132 N 8.46 2.52 0.03 0.00 0.15 -1.26 0.86 113.70 124.46 2jqj s SER 132 Ca 1.06 -0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.23 2jqj s SER 132 Cb -0.59 -1.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2jqj s SER 132 CO 0.41 0.11 0.04 -0.36 1.20 0.00 0.00 173.24 174.63 2jqj s PHE 133 N 0.48 0.27 -0.02 3.44 0.40 0.24 -1.25 117.98 121.54 2jqj s PHE 133 Ca -0.17 -0.61 0.08 0.00 -0.60 0.00 0.00 56.93 55.63 2jqj s PHE 133 Cb -0.17 -0.20 -0.02 0.00 0.51 0.00 0.00 43.02 43.14 2jqj s PHE 133 CO 0.07 -0.31 -0.26 -1.17 0.70 0.00 0.00 175.22 174.24 2jqj s LEU 134 N -2.06 2.05 -0.03 -0.37 0.20 0.99 0.73 118.68 120.19 2jqj s LEU 134 Ca -0.06 -0.47 0.03 0.00 0.69 0.00 0.00 54.13 54.32 2jqj s LEU 134 Cb -0.02 -1.34 -0.03 0.00 -0.43 0.00 0.00 46.19 44.37 2jqj s LEU 134 CO -0.04 0.32 -0.10 0.12 -0.29 0.00 0.00 176.35 176.35 2jqj s PHE 135 N -0.59 2.81 0.11 5.38 2.19 -1.01 0.85 117.98 127.71 2jqj s PHE 135 Ca 0.09 -0.08 -0.18 0.00 0.33 0.00 0.00 56.93 57.10 2jqj s PHE 135 Cb -0.10 -1.63 0.04 0.00 -1.31 0.00 0.00 43.02 40.01 2jqj s PHE 135 CO -0.01 0.28 0.44 0.21 1.83 0.00 0.00 175.22 177.97 2jqj s LYS 136 N -0.99 1.08 0.13 10.12 2.20 -1.09 -0.38 119.74 130.80 2jqj s LYS 136 Ca 0.13 -0.60 -0.23 0.00 -0.36 0.00 0.00 55.97 54.91 2jqj s LYS 136 Cb -0.11 0.48 -0.07 0.00 -1.51 0.00 0.00 37.83 36.62 2jqj s LYS 136 CO 0.03 -0.42 0.70 0.71 -0.36 0.00 0.00 175.35 176.01 2jqj s TYR 137 N -3.55 3.86 -0.06 4.03 2.02 -1.26 -2.26 117.35 120.14 2jqj s TYR 137 Ca 0.01 1.49 0.01 0.00 -0.37 0.00 0.00 57.07 58.22 2jqj s TYR 137 Cb 0.01 -2.67 -0.05 0.00 -0.40 0.00 0.00 41.96 38.85 2jqj s TYR 137 CO -0.10 0.53 -0.04 0.00 -1.57 0.00 0.00 175.55 174.37 2jqj n ALA 138 N 1.70 1.87 -0.64 3.71 0.00 -1.12 -4.88 120.51 121.15 2jqj n ALA 138 Ca -0.07 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 52.78 2jqj n ALA 138 Cb 0.49 0.30 0.19 0.00 0.00 0.00 0.00 19.45 20.43 2jqj n ALA 138 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jqj n SER 139 N -2.55 -0.73 -1.44 0.00 2.88 -0.63 -4.67 113.62 106.49 2jqj n SER 139 Ca -0.10 0.22 0.18 0.00 -1.33 0.00 0.00 58.87 57.84 2jqj n SER 139 Cb 0.63 -1.35 -0.09 0.00 -0.75 0.00 0.00 64.21 62.65 2jqj n SER 139 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jqj n SER 140 N -3.87 -8.00 -4.58 -3.46 2.88 -1.26 -4.54 113.62 90.79 2jqj n SER 140 Ca 0.08 1.37 -0.41 0.00 -1.33 0.00 0.00 58.87 58.58 2jqj n SER 140 Cb 0.53 -4.89 -0.03 0.00 -0.75 0.00 0.00 64.21 59.07 2jqj n SER 140 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jqj s SER 141 N -7.25 5.23 -1.17 -3.46 1.04 -1.26 -4.86 113.70 101.97 2jqj s SER 141 Ca 0.00 1.49 -0.20 0.00 0.48 0.00 0.00 55.95 57.72 2jqj s SER 141 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 2jqj s SER 141 CO 0.00 -2.20 1.91 -0.24 0.98 0.00 0.00 173.24 173.70 2jqj n SER 142 N 12.68 3.59 0.03 7.02 2.88 -1.26 -4.21 113.62 134.35 2jqj n SER 142 Ca 0.30 -2.77 0.00 0.00 -1.33 0.00 0.00 58.87 55.07 2jqj n SER 142 Cb 0.48 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 2jqj n SER 142 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jqj n THR 143 N 6.72 0.04 -3.55 2.46 -2.24 -1.26 -5.15 114.28 111.29 2jqj n THR 143 Ca 0.48 0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 62.10 2jqj n THR 143 Cb 0.44 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 2jqj n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jqj s ASP 144 N -4.35 -0.63 -0.13 3.42 2.15 -1.26 -5.15 116.67 110.72 2jqj s ASP 144 Ca 0.00 0.74 -0.05 0.00 0.43 0.00 0.00 52.55 53.67 2jqj s ASP 144 Cb 0.00 0.62 0.07 0.00 -0.30 0.00 0.00 42.92 43.30 2jqj s ASP 144 CO 0.00 -0.55 0.27 -0.63 -0.17 0.00 0.00 175.17 174.08 2jqj s ILE 145 N -1.03 -0.42 -0.45 4.11 1.01 -1.26 -5.04 121.20 118.12 2jqj s ILE 145 Ca -0.10 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.66 2jqj s ILE 145 Cb -0.01 -0.45 0.04 0.00 0.01 0.00 0.00 42.46 42.05 2jqj s ILE 145 CO 0.09 0.11 0.41 -1.61 0.00 0.00 0.00 174.94 173.94 2jqj s GLU 146 N 2.43 3.03 -0.22 2.79 2.02 -1.26 -5.02 118.70 122.46 2jqj s GLU 146 Ca 0.01 -1.04 -0.27 0.00 0.02 0.00 0.00 54.97 53.69 2jqj s GLU 146 Cb -0.12 -4.04 0.11 0.00 0.10 0.00 0.00 34.13 30.17 2jqj s GLU 146 CO -0.09 -0.93 0.93 1.21 0.02 0.00 0.00 175.26 176.39 2jqj s ASN 147 N 2.15 -0.51 -1.52 -0.19 3.84 -1.26 -4.95 114.94 112.50 2jqj s ASN 147 Ca 0.08 0.83 -0.05 0.00 0.21 0.00 0.00 52.86 53.92 2jqj s ASN 147 Cb -0.20 0.78 0.01 0.00 -0.55 0.00 0.00 41.25 41.29 2jqj s ASN 147 CO 0.10 -0.28 0.69 -0.67 -2.79 0.00 0.00 177.10 174.15 2jqj n ASP 148 N 1.74 -6.16 -2.17 -4.21 2.03 -1.26 -4.88 116.55 101.64 2jqj n ASP 148 Ca -0.13 -0.32 -0.24 0.00 0.52 0.00 0.00 54.79 54.62 2jqj n ASP 148 Cb 0.56 -4.94 0.16 0.00 -0.72 0.00 0.00 41.12 36.18 2jqj n ASP 148 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jqj n ASP 149 N -2.55 4.24 -0.04 1.67 -0.08 -1.26 -4.35 116.55 114.19 2jqj n ASP 149 Ca -0.10 -3.54 -0.08 0.00 -1.51 0.00 0.00 54.79 49.56 2jqj n ASP 149 Cb 0.61 -0.84 -0.03 0.00 2.34 0.00 0.00 41.12 43.20 2jqj n ASP 149 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2jqj n GLU 150 N -1.01 0.18 -2.69 -0.67 2.13 -1.26 -5.11 120.64 112.21 2jqj n GLU 150 Ca 0.57 0.08 -0.01 0.00 0.66 0.00 0.00 57.16 58.46 2jqj n GLU 150 Cb 1.48 -0.81 -0.01 0.00 0.27 0.00 0.00 31.44 32.37 2jqj n GLU 150 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2jqj n LYS 151 N -3.46 -3.65 -0.08 5.31 4.81 -1.26 -5.02 118.16 114.81 2jqj n LYS 151 Ca -0.15 2.88 -0.07 0.00 -0.87 0.00 0.00 58.31 60.10 2jqj n LYS 151 Cb 0.55 -5.33 -0.02 0.00 0.02 0.00 0.00 35.03 30.24 2jqj n LYS 151 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2jqj n VAL 152 N 0.83 1.45 -4.03 3.15 0.31 -1.26 -4.95 118.33 113.84 2jqj n VAL 152 Ca -0.06 0.18 -0.30 0.00 -0.01 0.00 0.00 64.34 64.15 2jqj n VAL 152 Cb 0.09 -2.36 -0.16 0.00 -0.91 0.00 0.00 33.84 30.49 2jqj n VAL 152 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2jqj s SER 153 N -5.81 2.64 0.37 4.52 1.04 -1.26 -5.11 113.70 110.09 2jqj s SER 153 Ca -0.22 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 2jqj s SER 153 Cb 0.03 -1.16 0.02 0.00 0.10 0.00 0.00 66.02 65.01 2jqj s SER 153 CO 0.33 -0.06 0.57 -0.94 0.98 0.00 0.00 173.24 174.12 2jqj s SER 154 N 1.48 0.81 0.02 7.02 1.04 -1.26 -5.18 113.70 117.64 2jqj s SER 154 Ca 0.05 -1.46 0.06 0.00 0.48 0.00 0.00 55.95 55.07 2jqj s SER 154 Cb -0.13 0.73 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 2jqj s SER 154 CO -0.10 -1.43 -0.17 -1.61 0.98 0.00 0.00 173.24 170.90 2jqj s GLU 155 N -2.71 1.20 0.21 4.02 8.01 -1.26 -5.14 118.70 123.03 2jqj s GLU 155 Ca 0.27 -0.76 -0.21 0.00 0.01 0.00 0.00 54.97 54.28 2jqj s GLU 155 Cb -0.02 -1.23 0.07 0.00 -4.31 0.00 0.00 34.13 28.65 2jqj s GLU 155 CO 0.19 0.32 1.01 -1.12 0.01 0.00 0.00 175.26 175.67 2jqj s SER 156 N -0.91 0.01 -0.45 -0.19 0.01 -1.26 -5.10 113.70 105.81 2jqj s SER 156 Ca 0.05 -0.74 0.07 0.00 1.31 0.00 0.00 55.95 56.64 2jqj s SER 156 Cb -0.08 0.54 0.25 0.00 0.21 0.00 0.00 66.02 66.94 2jqj s SER 156 CO 0.01 -1.08 0.56 0.54 0.41 0.00 0.00 173.24 173.68 2jqj n ARG 157 N -0.69 1.07 -3.80 12.44 1.74 -1.26 -5.09 116.66 121.07 2jqj n ARG 157 Ca -0.03 -3.53 -0.11 0.00 -0.77 0.00 0.00 57.85 53.41 2jqj n ARG 157 Cb 0.59 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.50 2jqj n ARG 157 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jqj s SER 158 N -1.39 -0.04 0.00 0.55 0.01 -1.26 -5.39 113.70 106.18 2jqj s SER 158 Ca 0.36 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2jqj s SER 158 Cb 0.16 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2jqj s SER 158 CO -0.09 -0.63 0.00 0.00 0.41 0.00 0.00 173.24 172.93