#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 -4.14 0.00 1.64 0.63 -1.26 -5.03 116.66 108.49 2jqj n ARG 20 Ca 0.00 3.18 0.00 0.00 -0.92 0.00 0.00 57.85 60.11 2jqj n ARG 20 Cb 0.00 -5.06 0.00 0.00 0.45 0.00 0.00 32.46 27.85 2jqj n ARG 20 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jqj n GLN 21 N 1.34 0.00 -3.28 -0.14 10.64 -1.26 -5.05 117.38 119.63 2jqj n GLN 21 Ca -0.28 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.50 2jqj n GLN 21 Cb 0.44 -0.31 -0.06 0.00 -0.86 0.00 0.00 30.24 29.45 2jqj n GLN 21 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2jqj s GLN 22 N -1.90 4.26 0.25 2.61 -2.07 -1.26 -5.07 119.66 116.48 2jqj s GLN 22 Ca 0.00 0.43 0.00 0.00 -1.82 0.00 0.00 55.36 53.98 2jqj s GLN 22 Cb 0.00 -3.50 -0.00 0.00 -1.09 0.00 0.00 33.01 28.42 2jqj s GLN 22 CO 0.00 -0.00 0.01 2.89 -1.32 0.00 0.00 175.29 176.87 2jqj n ARG 23 N 4.25 1.30 0.03 9.60 1.85 -1.26 -5.11 116.66 127.32 2jqj n ARG 23 Ca -0.06 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 54.97 2jqj n ARG 23 Cb 0.51 0.56 0.00 0.00 -1.05 0.00 0.00 32.46 32.47 2jqj n ARG 23 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jqj n SER 24 N -1.24 0.25 -4.60 2.89 2.88 -1.26 -5.01 113.62 107.53 2jqj n SER 24 Ca -0.09 0.10 -0.43 0.00 -1.33 0.00 0.00 58.87 57.12 2jqj n SER 24 Cb 0.32 -0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.73 2jqj n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jqj s ASN 25 N -5.03 6.61 -0.02 -3.46 2.20 -1.26 -4.91 114.94 109.07 2jqj s ASN 25 Ca 0.00 0.41 -0.23 0.00 -0.94 0.00 0.00 52.86 52.10 2jqj s ASN 25 Cb 0.00 -2.54 -0.21 0.00 -2.00 0.00 0.00 41.25 36.50 2jqj s ASN 25 CO 0.00 -1.25 1.12 0.11 -2.94 0.00 0.00 177.10 174.14 2jqj h LYS 26 N 9.24 0.24 -6.87 3.55 1.57 -2.06 -3.46 116.57 118.78 2jqj h LYS 26 Ca -0.23 -0.21 -0.56 0.00 -1.87 0.00 0.00 60.65 57.78 2jqj h LYS 26 Cb 1.06 0.05 0.12 0.00 0.08 0.00 0.00 32.23 33.54 2jqj h LYS 26 CO 1.12 0.89 0.60 -2.30 -0.57 0.00 0.00 179.45 179.19 2jqj n PRO 27 N -4.49 2.19 -1.47 3.15 -0.02 -1.26 -4.74 135.00 128.37 2jqj n PRO 27 Ca -0.09 0.78 0.20 0.00 -2.02 0.00 0.00 63.50 62.36 2jqj n PRO 27 Cb 0.49 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 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 0.28 -8.72 -3.15 2.55 7.64 -1.26 -4.94 113.62 106.03 2jqj n SER 28 Ca 0.05 0.67 0.04 0.00 1.01 0.00 0.00 58.87 60.64 2jqj n SER 28 Cb 0.39 -4.49 -0.00 0.00 -1.01 0.00 0.00 64.21 59.10 2jqj n SER 28 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jqj s SER 29 N -7.23 -1.35 -0.10 6.43 1.04 -1.26 -5.08 113.70 106.15 2jqj s SER 29 Ca 0.00 0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 2jqj s SER 29 Cb 0.00 1.84 0.04 0.00 0.10 0.00 0.00 66.02 68.00 2jqj s SER 29 CO 0.00 -0.24 0.23 -1.61 0.98 0.00 0.00 173.24 172.60 2jqj s GLU 30 N 2.78 0.19 0.00 4.02 2.02 -1.26 -5.13 118.70 121.32 2jqj s GLU 30 Ca 0.14 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.62 2jqj s GLU 30 Cb -0.08 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.05 2jqj s GLU 30 CO -0.24 -0.15 0.00 0.66 0.02 0.00 0.00 175.26 175.55 2jqj n TYR 31 N 4.10 0.00 -3.76 1.61 4.02 -1.26 -5.04 117.16 116.83 2jqj n TYR 31 Ca -0.24 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.50 2jqj n TYR 31 Cb 0.53 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.69 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 0.00 -0.07 0.32 -0.72 -4.23 -1.26 -5.02 115.64 104.67 2jqj s THR 32 Ca 0.00 0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 60.45 2jqj s THR 32 Cb 0.00 -0.12 -0.11 0.00 1.34 0.00 0.00 72.50 73.61 2jqj s THR 32 CO 0.00 0.10 1.50 0.00 -0.54 0.00 0.00 174.62 175.68 2jqj n LEU 34 N 1.39 -0.04 0.00 0.00 0.00 -1.16 -4.92 117.00 112.27 2jqj n LEU 34 Ca 0.04 0.03 -0.15 0.00 0.00 0.00 0.00 56.01 55.93 2jqj n LEU 34 Cb 0.39 0.11 -0.06 0.00 0.00 0.00 0.00 43.42 43.86 2jqj n LEU 34 CO 0.63 -0.51 -0.07 0.61 0.00 0.00 0.00 177.39 178.06 2jqj n GLY 35 N 1.06 3.16 3.19 -3.96 0.00 -1.16 0.10 105.19 107.57 2jqj n GLY 35 Ca 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.04 0.33 -0.16 1.61 3.76 -0.91 -1.08 115.29 115.80 2jqj s HIS 36 Ca 0.30 -0.78 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 2jqj s HIS 36 Cb 0.01 -0.18 0.02 0.00 1.11 0.00 0.00 32.58 33.55 2jqj s HIS 36 CO 0.21 -0.52 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.89 2jqj s LEU 37 N -2.90 1.94 -0.25 0.89 1.43 0.69 -2.92 118.68 117.56 2jqj s LEU 37 Ca 0.08 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 2jqj s LEU 37 Cb 0.06 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2jqj s LEU 37 CO -0.09 -0.01 0.35 -0.69 0.23 0.00 0.00 176.35 176.14 2jqj s VAL 38 N 1.28 5.21 -0.07 -1.59 1.01 -0.45 -0.22 120.40 125.57 2jqj s VAL 38 Ca 0.03 0.54 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 2jqj s VAL 38 Cb -0.13 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2jqj s VAL 38 CO -0.10 0.21 0.55 0.21 0.00 0.00 0.00 175.10 175.96 2jqj s ASN 39 N 1.43 6.82 -0.34 3.32 2.47 0.18 -0.37 114.94 128.45 2jqj s ASN 39 Ca 0.15 0.98 -0.03 0.00 0.42 0.00 0.00 52.86 54.38 2jqj s ASN 39 Cb -0.15 -2.33 0.07 0.00 -1.45 0.00 0.00 41.25 37.39 2jqj s ASN 39 CO 0.09 0.02 0.08 -0.76 -3.72 0.00 0.00 177.10 172.81 2jqj s LEU 40 N 0.36 4.39 -0.03 3.21 1.02 -0.50 -1.84 118.68 125.29 2jqj s LEU 40 Ca 0.29 -1.49 0.06 0.00 0.02 0.00 0.00 54.13 53.01 2jqj s LEU 40 Cb -0.16 -1.77 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 2jqj s LEU 40 CO 0.14 -0.36 -0.20 -0.63 0.02 0.00 0.00 176.35 175.31 2jqj s ILE 41 N 1.24 1.62 0.56 -0.59 1.01 0.15 -4.62 121.20 120.57 2jqj s ILE 41 Ca -0.00 -0.86 0.38 0.00 0.00 0.00 0.00 60.65 60.17 2jqj s ILE 41 Cb -0.21 -1.36 0.56 0.00 0.01 0.00 0.00 42.46 41.46 2jqj s ILE 41 CO -0.01 0.46 1.68 -0.65 0.00 0.00 0.00 174.94 176.42 2jqj h PRO 42 N 5.83 0.00 0.00 2.79 0.11 -1.99 0.68 132.00 139.42 2jqj h PRO 42 Ca -0.37 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.49 2jqj h PRO 42 Cb 1.15 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2jqj h PRO 42 CO 0.48 0.00 -1.35 0.78 -0.21 0.00 0.00 178.00 177.69 2jqj h GLY 43 N 0.00 0.01 0.00 -0.55 0.00 -2.02 -3.50 103.07 97.01 2jqj h GLY 43 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2jqj h GLY 43 CO -0.01 0.01 0.00 0.28 0.00 0.00 0.00 176.54 176.83 2jqj n LYS 44 N -3.20 -1.20 -4.18 4.80 5.02 0.24 -5.19 118.16 114.45 2jqj n LYS 44 Ca -0.08 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.97 2jqj n LYS 44 Cb 1.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.94 2jqj n LYS 44 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2jqj n GLU 45 N 0.00 0.65 -3.53 1.97 0.28 -1.26 0.32 120.64 119.08 2jqj n GLU 45 Ca 0.00 -3.12 -0.15 0.00 -0.16 0.00 0.00 57.16 53.73 2jqj n GLU 45 Cb 0.00 1.59 -0.05 0.00 1.43 0.00 0.00 31.44 34.41 2jqj n GLU 45 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2jqj s GLN 46 N -3.42 0.95 -0.12 3.44 0.74 -0.77 -4.93 119.66 115.55 2jqj s GLN 46 Ca 0.16 0.16 -0.00 0.00 0.05 0.00 0.00 55.36 55.73 2jqj s GLN 46 Cb 0.01 0.45 -0.02 0.00 1.10 0.00 0.00 33.01 34.54 2jqj s GLN 46 CO 0.12 -0.31 -0.11 0.21 -0.55 0.00 0.00 175.29 174.64 2jqj s LYS 47 N -1.42 3.31 0.09 1.67 2.20 -1.26 0.47 119.74 124.80 2jqj s LYS 47 Ca -0.07 -0.65 0.10 0.00 -0.36 0.00 0.00 55.97 54.99 2jqj s LYS 47 Cb -0.00 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 2jqj s LYS 47 CO 0.06 0.29 -0.25 0.08 -0.36 0.00 0.00 175.35 175.16 2jqj s VAL 48 N 0.18 2.35 -0.21 4.02 1.01 0.69 -4.93 120.40 123.51 2jqj s VAL 48 Ca -0.06 -1.53 -0.10 0.00 0.00 0.00 0.00 61.98 60.28 2jqj s VAL 48 Cb -0.15 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2jqj s VAL 48 CO 0.04 0.22 0.14 -1.83 0.00 0.00 0.00 175.10 173.67 2jqj s GLU 49 N -1.71 4.15 -0.10 2.72 -1.05 -1.26 -0.22 118.70 121.21 2jqj s GLU 49 Ca 0.14 -0.24 0.02 0.00 -0.15 0.00 0.00 54.97 54.74 2jqj s GLU 49 Cb -0.10 -3.45 -0.01 0.00 -0.44 0.00 0.00 34.13 30.13 2jqj s GLU 49 CO 0.05 0.23 -0.17 -1.50 0.95 0.00 0.00 175.26 174.82 2jqj s ILE 50 N 0.56 2.74 0.42 1.83 2.07 -0.25 -4.94 121.20 123.65 2jqj s ILE 50 Ca 0.08 -0.79 0.06 0.00 -1.41 0.00 0.00 60.65 58.58 2jqj s ILE 50 Cb -0.12 -2.11 0.01 0.00 0.13 0.00 0.00 42.46 40.37 2jqj s ILE 50 CO -0.00 0.55 0.59 0.42 -1.91 0.00 0.00 174.94 174.59 2jqj s THR 51 N 0.11 3.33 -1.05 4.00 -4.23 -1.26 -2.99 115.64 113.54 2jqj s THR 51 Ca -0.08 -0.88 -0.05 0.00 -1.18 0.00 0.00 61.69 59.50 2jqj s THR 51 Cb -0.15 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 70.81 2jqj s THR 51 CO 0.05 -0.08 1.21 -0.46 -0.54 0.00 0.00 174.62 174.80 2jqj n ASN 52 N -1.91 5.64 -1.93 3.99 0.23 -1.13 -4.79 115.26 115.35 2jqj n ASN 52 Ca 0.05 -3.22 -0.03 0.00 -0.53 0.00 0.00 54.58 50.84 2jqj n ASN 52 Cb 0.59 -1.26 0.32 0.00 -2.08 0.00 0.00 39.78 37.35 2jqj n ASN 52 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2jqj n ARG 53 N 1.99 3.85 0.00 -3.83 1.85 -1.26 -4.82 116.66 114.44 2jqj n ARG 53 Ca 0.25 -3.10 0.00 0.00 -1.00 0.00 0.00 57.85 53.99 2jqj n ARG 53 Cb 0.36 -2.21 0.00 0.00 -1.05 0.00 0.00 32.46 29.57 2jqj n ARG 53 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2jqj n ASN 54 N -0.08 0.00 -3.93 2.89 4.05 -0.83 -4.81 115.26 112.55 2jqj n ASN 54 Ca 0.38 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 55.27 2jqj n ASN 54 Cb 1.34 -0.05 -0.14 0.00 1.23 0.00 0.00 39.78 42.16 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2jqj s VAL 55 N -0.07 0.28 -0.11 3.44 1.01 -1.26 -2.10 120.40 121.59 2jqj s VAL 55 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2jqj s VAL 55 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.15 2jqj s VAL 55 CO 0.00 0.08 -0.15 -0.89 0.00 0.00 0.00 175.10 174.14 2jqj s THR 56 N -0.05 1.49 -0.12 3.92 2.01 0.54 -4.84 115.64 118.59 2jqj s THR 56 Ca 0.01 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.32 2jqj s THR 56 Cb -0.02 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 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 0.98 4.82 -0.11 -0.82 -4.23 -1.26 -0.51 115.64 114.51 2jqj s THR 57 Ca -0.07 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 2jqj s THR 57 Cb -0.15 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.62 2jqj s THR 57 CO -0.01 0.57 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.91 2jqj s ILE 58 N -0.59 1.14 -1.83 2.99 1.09 -0.91 0.10 121.20 123.18 2jqj s ILE 58 Ca 0.11 -0.37 0.00 0.00 -1.10 0.00 0.00 60.65 59.29 2jqj s ILE 58 Cb -0.12 -1.12 0.00 0.00 -1.06 0.00 0.00 42.46 40.16 2jqj s ILE 58 CO 0.02 0.38 0.00 0.61 -0.10 0.00 0.00 174.94 175.86 2jqj n GLY 59 N 4.77 -0.67 0.08 6.18 0.00 -1.01 -3.01 105.19 111.54 2jqj n GLY 59 Ca -0.15 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 0.04 -6.46 1.61 2.43 -1.66 -2.91 114.38 107.44 2jqj h ARG 60 Ca 0.00 -0.07 -0.59 0.00 -0.81 0.00 0.00 59.98 58.51 2jqj h ARG 60 Cb 0.00 0.03 0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2jqj h ARG 60 CO 0.00 0.70 0.88 0.45 -1.51 0.00 0.00 179.97 180.49 2jqj n SER 61 N -3.17 3.22 0.26 -3.80 2.88 -1.26 -4.85 113.62 106.90 2jqj n SER 61 Ca -0.15 1.05 0.12 0.00 -1.33 0.00 0.00 58.87 58.57 2jqj n SER 61 Cb 1.03 -1.42 0.73 0.00 -0.75 0.00 0.00 64.21 63.80 2jqj n SER 61 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2jqj h ARG 62 N 6.79 0.00 0.00 -1.46 -0.00 -1.97 -1.61 114.38 116.13 2jqj h ARG 62 Ca -0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.47 2jqj h ARG 62 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.22 2jqj h ARG 62 CO 0.91 0.11 -0.27 0.66 -0.00 0.00 0.00 179.97 181.37 2jqj h SER 63 N 0.00 0.00 -3.74 0.08 4.64 -1.99 -3.45 113.55 109.09 2jqj h SER 63 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2jqj h SER 63 Cb 0.27 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 62.54 2jqj h SER 63 CO 0.01 0.27 0.06 0.00 -0.87 0.00 0.00 176.83 176.31 2jqj h ASP 65 N -0.33 0.46 -3.32 0.00 1.82 0.07 -3.42 116.42 111.70 2jqj h ASP 65 Ca -0.47 -0.14 -0.67 0.00 -0.39 0.00 0.00 57.03 55.36 2jqj h ASP 65 Cb 1.33 -0.12 -0.33 0.00 0.68 0.00 0.00 39.33 40.89 2jqj h ASP 65 CO 0.46 0.47 -0.88 -0.69 -1.61 0.00 0.00 179.24 177.00 2jqj s VAL 66 N -5.65 2.03 -0.45 2.25 1.01 0.28 -4.90 120.40 114.96 2jqj s VAL 66 Ca -0.13 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.72 2jqj s VAL 66 Cb 0.09 -1.76 0.08 0.00 0.00 0.00 0.00 36.38 34.79 2jqj s VAL 66 CO 0.73 0.55 0.35 -0.63 0.00 0.00 0.00 175.10 176.10 2jqj s ILE 67 N 0.43 4.84 0.00 2.22 1.01 -1.26 -2.39 121.20 126.05 2jqj s ILE 67 Ca -0.17 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.27 2jqj s ILE 67 Cb -0.18 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2jqj s ILE 67 CO 0.07 -0.56 0.00 -0.11 0.00 0.00 0.00 174.94 174.34 2jqj n LEU 68 N 5.09 0.00 0.00 2.97 7.94 -1.10 -4.99 117.00 126.92 2jqj n LEU 68 Ca -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 2jqj n LEU 68 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2jqj n LEU 68 CO 0.44 -0.03 0.00 -1.20 -1.11 0.00 0.00 177.39 175.50 2jqj n SER 69 N 0.00 0.00 0.00 1.96 7.64 -1.26 -4.93 113.62 117.03 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 -0.37 1.43 1.02 -1.26 -4.97 120.64 116.50 2jqj n GLU 70 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2jqj n GLU 70 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 31.63 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 1.05 -0.09 3.49 0.13 -2.01 -2.74 132.00 131.83 2jqj h PRO 71 Ca 0.00 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 2jqj h PRO 71 Cb 0.00 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 30.87 2jqj h PRO 71 CO 0.00 0.70 -0.32 -0.25 -0.23 0.00 0.00 178.00 177.90 2jqj n ASP 72 N -4.56 2.04 -4.35 1.44 8.00 -1.26 -5.00 116.55 112.86 2jqj n ASP 72 Ca 0.17 -3.75 -0.34 0.00 0.71 0.00 0.00 54.79 51.58 2jqj n ASP 72 Cb 0.27 -0.54 -0.14 0.00 -0.02 0.00 0.00 41.12 40.69 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jqj s ILE 73 N -3.19 3.28 0.21 0.53 1.10 -1.04 -4.87 121.20 117.22 2jqj s ILE 73 Ca 0.39 -0.55 -0.30 0.00 -0.51 0.00 0.00 60.65 59.68 2jqj s ILE 73 Cb 0.37 -2.44 -0.08 0.00 0.15 0.00 0.00 42.46 40.46 2jqj s ILE 73 CO -0.04 0.48 1.04 -0.44 -2.11 0.00 0.00 174.94 173.87 2jqj s SER 74 N 0.86 7.39 0.23 4.50 0.01 -1.26 -3.90 113.70 121.53 2jqj s SER 74 Ca -0.02 2.06 -0.08 0.00 1.31 0.00 0.00 55.95 59.22 2jqj s SER 74 Cb -0.15 -2.61 0.22 0.00 0.21 0.00 0.00 66.02 63.69 2jqj s SER 74 CO 0.01 -0.09 1.91 0.74 0.41 0.00 0.00 173.24 176.21 2jqj h THR 75 N 3.47 1.24 -0.66 1.44 2.02 -1.90 -2.10 112.91 116.41 2jqj h THR 75 Ca -0.45 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2jqj h THR 75 Cb 1.21 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2jqj h THR 75 CO 0.70 0.23 0.00 0.49 0.37 0.00 0.00 175.52 177.31 2jqj n PHE 76 N -4.44 1.42 -0.00 3.16 3.01 -1.26 -4.23 117.46 115.11 2jqj n PHE 76 Ca 0.10 -0.58 -0.00 0.00 1.01 0.00 0.00 57.45 57.98 2jqj n PHE 76 Cb 0.02 -0.21 -0.00 0.00 -0.01 0.00 0.00 39.48 39.28 2jqj n PHE 76 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jqj n HIS 77 N 1.21 -0.00 -3.74 1.38 -0.00 -0.80 -4.68 115.22 108.59 2jqj n HIS 77 Ca 0.26 0.01 -0.10 0.00 0.46 0.00 0.00 57.72 58.35 2jqj n HIS 77 Cb 0.85 -0.10 -0.04 0.00 -0.12 0.00 0.00 29.99 30.58 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 -3.26 -0.84 -0.05 1.57 0.00 -1.16 -4.57 121.76 113.44 2jqj s ALA 78 Ca -0.00 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2jqj s ALA 78 Cb 0.00 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.97 2jqj s ALA 78 CO 0.01 -0.77 -0.08 -1.21 0.00 0.00 0.00 175.76 173.71 2jqj s GLU 79 N -3.87 1.21 -0.09 0.00 2.02 -1.00 -2.15 118.70 114.82 2jqj s GLU 79 Ca 0.09 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.87 2jqj s GLU 79 Cb -0.00 -1.08 -0.00 0.00 0.10 0.00 0.00 34.13 33.14 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 0.74 2.55 -0.32 1.61 0.40 0.34 -1.73 117.98 121.56 2jqj s PHE 80 Ca -0.12 -0.92 -0.17 0.00 -0.60 0.00 0.00 56.93 55.11 2jqj s PHE 80 Cb -0.15 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 2jqj s PHE 80 CO 0.02 -0.34 0.47 -1.01 0.70 0.00 0.00 175.22 175.06 2jqj s HIS 81 N 0.19 3.21 -0.36 0.36 3.76 -0.35 0.20 115.29 122.29 2jqj s HIS 81 Ca -0.14 0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 54.92 2jqj s HIS 81 Cb -0.17 -2.81 0.03 0.00 1.11 0.00 0.00 32.58 30.75 2jqj s HIS 81 CO 0.07 -0.44 0.17 -1.17 -0.85 0.00 0.00 174.74 172.52 2jqj s LEU 82 N 2.28 4.58 -0.04 0.89 0.20 -0.89 -1.18 118.68 124.52 2jqj s LEU 82 Ca 0.17 -1.06 0.06 0.00 0.69 0.00 0.00 54.13 53.99 2jqj s LEU 82 Cb -0.16 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2jqj s LEU 82 CO 0.12 -0.37 -0.22 -0.76 -0.29 0.00 0.00 176.35 174.84 2jqj s LEU 83 N 1.49 2.30 -0.08 -0.68 1.02 -1.14 -1.97 118.68 119.62 2jqj s LEU 83 Ca 0.01 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 53.80 2jqj s LEU 83 Cb -0.19 -1.42 0.01 0.00 0.02 0.00 0.00 46.19 44.60 2jqj s LEU 83 CO 0.05 0.32 -0.15 -1.58 0.02 0.00 0.00 176.35 175.01 2jqj s GLN 84 N -0.58 2.03 0.01 1.70 0.74 -1.26 -2.85 119.66 119.45 2jqj s GLN 84 Ca 0.08 -0.52 -0.00 0.00 0.05 0.00 0.00 55.36 54.98 2jqj s GLN 84 Cb -0.11 -1.66 -0.01 0.00 1.10 0.00 0.00 33.01 32.33 2jqj s GLN 84 CO 0.00 0.03 -0.02 1.41 -0.55 0.00 0.00 175.29 176.16 2jqj s MET 85 N 0.71 0.19 -0.30 1.67 1.75 -1.15 -5.05 119.30 117.12 2jqj s MET 85 Ca -0.13 -0.37 -0.09 0.00 -1.25 0.00 0.00 55.69 53.85 2jqj s MET 85 Cb -0.16 0.07 -0.01 0.00 2.84 0.00 0.00 34.83 37.57 2jqj s MET 85 CO 0.03 -0.03 0.14 0.16 -0.65 0.00 0.00 175.02 174.67 2jqj s ASP 86 N -0.90 5.50 -0.24 1.11 1.47 -1.26 -0.61 116.67 121.74 2jqj s ASP 86 Ca -0.10 -0.51 0.02 0.00 1.18 0.00 0.00 52.55 53.14 2jqj s ASP 86 Cb -0.06 -1.99 0.06 0.00 -0.34 0.00 0.00 42.92 40.59 2jqj s ASP 86 CO -0.01 -0.18 -0.09 0.68 0.68 0.00 0.00 175.17 176.25 2jqj s VAL 87 N 1.61 1.83 -0.39 2.11 -7.23 -0.69 -4.89 120.40 112.74 2jqj s VAL 87 Ca 0.05 -1.36 -0.14 0.00 -1.81 0.00 0.00 61.98 58.72 2jqj s VAL 87 Cb -0.17 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.80 2jqj s VAL 87 CO 0.06 -0.01 0.45 0.47 -0.31 0.00 0.00 175.10 175.75 2jqj n ASP 88 N 4.57 -7.73 0.00 4.85 9.92 -1.26 -3.98 116.55 122.92 2jqj n ASP 88 Ca -0.13 0.69 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 2jqj n ASP 88 Cb 0.44 -4.95 0.00 0.00 -0.64 0.00 0.00 41.12 35.97 2jqj n ASP 88 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2jqj n ASN 89 N -0.00 0.00 -4.36 -2.24 3.02 -1.26 -4.77 115.26 105.65 2jqj n ASN 89 Ca 0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 2jqj n ASN 89 Cb 0.37 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.80 2jqj n ASN 89 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2jqj n PHE 90 N 0.00 -1.60 -4.80 3.10 3.01 -1.26 -4.99 117.46 110.92 2jqj n PHE 90 Ca 0.00 -0.21 -0.25 0.00 1.01 0.00 0.00 57.45 58.01 2jqj n PHE 90 Cb 0.00 -1.64 -0.15 0.00 -0.01 0.00 0.00 39.48 37.68 2jqj n PHE 90 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2jqj s GLN 91 N -4.30 1.39 -0.25 -1.08 -2.07 -1.26 -1.71 119.66 110.38 2jqj s GLN 91 Ca 0.67 -0.64 -0.06 0.00 -1.82 0.00 0.00 55.36 53.51 2jqj s GLN 91 Cb -0.23 -1.35 -0.02 0.00 -1.09 0.00 0.00 33.01 30.32 2jqj s GLN 91 CO 0.65 0.37 0.03 1.03 -1.32 0.00 0.00 175.29 176.06 2jqj s ARG 92 N -0.47 3.50 -0.21 9.60 1.81 0.22 -4.92 118.95 128.48 2jqj s ARG 92 Ca 0.07 -0.57 -0.05 0.00 -1.72 0.00 0.00 55.73 53.45 2jqj s ARG 92 Cb -0.07 -3.23 -0.02 0.00 -0.45 0.00 0.00 34.95 31.18 2jqj s ARG 92 CO -0.00 -0.22 0.00 -0.80 -0.68 0.00 0.00 175.30 173.60 2jqj s ASN 93 N 1.56 4.81 -0.06 0.23 0.01 -1.26 -2.91 114.94 117.32 2jqj s ASN 93 Ca 0.06 -0.22 0.04 0.00 -0.71 0.00 0.00 52.86 52.02 2jqj s ASN 93 Cb -0.15 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 39.69 2jqj s ASN 93 CO 0.01 0.05 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.72 2jqj s LEU 94 N 1.11 1.86 -0.03 0.60 1.43 -1.13 -4.95 118.68 117.56 2jqj s LEU 94 Ca 0.02 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2jqj s LEU 94 Cb -0.14 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 2jqj s LEU 94 CO 0.01 0.12 -0.16 -0.63 0.23 0.00 0.00 176.35 175.93 2jqj s ILE 95 N 0.29 2.95 0.01 -0.59 1.09 -1.15 -2.88 121.20 120.93 2jqj s ILE 95 Ca -0.10 -0.84 0.05 0.00 -1.10 0.00 0.00 60.65 58.66 2jqj s ILE 95 Cb -0.14 -2.16 -0.03 0.00 -1.06 0.00 0.00 42.46 39.06 2jqj s ILE 95 CO 0.04 0.54 -0.13 0.21 -0.10 0.00 0.00 174.94 175.50 2jqj s ASN 96 N -0.87 4.13 -0.17 3.58 2.47 -0.33 0.65 114.94 124.41 2jqj s ASN 96 Ca 0.12 -0.29 -0.03 0.00 0.42 0.00 0.00 52.86 53.08 2jqj s ASN 96 Cb -0.11 -0.81 -0.02 0.00 -1.45 0.00 0.00 41.25 38.86 2jqj s ASN 96 CO 0.01 0.28 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.93 2jqj s VAL 97 N -0.92 3.64 -0.10 -5.21 1.01 0.04 -1.22 120.40 117.64 2jqj s VAL 97 Ca 0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2jqj s VAL 97 Cb -0.11 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.70 2jqj s VAL 97 CO 0.05 0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 174.93 2jqj s ILE 98 N 0.61 0.98 -0.24 2.22 1.01 -0.70 -2.90 121.20 122.18 2jqj s ILE 98 Ca -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 2jqj s ILE 98 Cb -0.15 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.34 2jqj s ILE 98 CO 0.03 0.36 -0.05 -0.62 0.00 0.00 0.00 174.94 174.65 2jqj s ASP 99 N 1.63 4.27 -0.32 3.58 2.15 -1.26 -2.38 116.67 124.34 2jqj s ASP 99 Ca 0.03 -0.66 0.10 0.00 0.43 0.00 0.00 52.55 52.45 2jqj s ASP 99 Cb -0.13 -1.69 0.71 0.00 -0.30 0.00 0.00 42.92 41.51 2jqj s ASP 99 CO -0.07 -0.08 1.76 2.29 -0.17 0.00 0.00 175.17 178.90 2jqj n LYS 100 N 4.73 3.46 -1.44 4.34 2.85 -1.26 -4.91 118.16 125.92 2jqj n LYS 100 Ca -0.17 -3.08 0.00 0.00 -1.05 0.00 0.00 58.31 54.01 2jqj n LYS 100 Cb 0.49 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 2jqj n LYS 100 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jqj n SER 101 N -0.31 -7.86 0.00 -5.58 7.64 -1.26 -5.06 113.62 101.19 2jqj n SER 101 Ca 0.40 1.27 0.00 0.00 1.01 0.00 0.00 58.87 61.55 2jqj n SER 101 Cb 1.34 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 2jqj n SER 101 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jqj n ARG 102 N -1.30 0.00 0.00 1.43 3.00 -1.26 -4.93 116.66 113.59 2jqj n ARG 102 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2jqj n ARG 102 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.57 2jqj n ARG 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jqj n ASN 103 N -1.73 4.08 0.00 6.15 4.13 -1.26 -5.07 115.26 121.56 2jqj n ASN 103 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2jqj n ASN 103 Cb 0.00 0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 2jqj n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jqj n GLY 104 N 2.64 3.49 3.13 7.41 0.00 -1.26 -4.81 105.19 115.79 2jqj n GLY 104 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 1.71 -0.21 2.61 2.01 -1.26 -2.00 115.64 118.49 2jqj s THR 105 Ca 0.00 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2jqj s THR 105 Cb 0.00 -1.51 0.04 0.00 0.01 0.00 0.00 72.50 71.04 2jqj s THR 105 CO 0.00 0.48 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.91 2jqj s PHE 106 N 0.61 2.88 -0.04 4.92 0.08 -0.14 -3.92 117.98 122.37 2jqj s PHE 106 Ca -0.14 -1.89 0.07 0.00 0.12 0.00 0.00 56.93 55.08 2jqj s PHE 106 Cb -0.17 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 2jqj s PHE 106 CO 0.04 -0.82 -0.25 -1.50 -0.10 0.00 0.00 175.22 172.59 2jqj s ILE 107 N 1.24 2.00 -1.80 0.64 1.10 -0.77 -0.83 121.20 122.78 2jqj s ILE 107 Ca -0.02 -1.06 0.00 0.00 -0.51 0.00 0.00 60.65 59.07 2jqj s ILE 107 Cb -0.16 -1.68 0.00 0.00 0.15 0.00 0.00 42.46 40.77 2jqj s ILE 107 CO -0.09 0.56 0.00 0.59 -2.11 0.00 0.00 174.94 173.89 2jqj n ASN 108 N 2.75 -5.67 -0.20 4.50 5.03 -1.09 -0.96 115.26 119.61 2jqj n ASN 108 Ca -0.17 0.09 -0.03 0.00 0.87 0.00 0.00 54.58 55.35 2jqj n ASN 108 Cb 0.52 -4.78 -0.01 0.00 -1.02 0.00 0.00 39.78 34.49 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 -0.88 0.53 3.12 7.41 0.00 -1.26 -5.00 105.19 109.11 2jqj n GLY 109 Ca -0.23 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.28 1.29 0.32 1.61 0.01 -0.14 -5.14 114.94 110.63 2jqj s ASN 110 Ca 0.00 -0.59 -0.27 0.00 -0.71 0.00 0.00 52.86 51.29 2jqj s ASN 110 Cb 0.00 -0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.56 2jqj s ASN 110 CO 0.00 -0.14 1.07 -0.60 -1.51 0.00 0.00 177.10 175.92 2jqj s ARG 111 N -1.69 4.46 -0.12 -0.60 3.52 -1.26 -1.84 118.95 121.42 2jqj s ARG 111 Ca -0.05 1.67 -0.21 0.00 -0.13 0.00 0.00 55.73 57.01 2jqj s ARG 111 Cb -0.10 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 2jqj s ARG 111 CO 0.01 0.09 0.62 -1.17 -0.81 0.00 0.00 175.30 174.04 2jqj s LEU 112 N -1.90 4.25 -0.03 -0.88 0.20 -1.25 -4.92 118.68 114.14 2jqj s LEU 112 Ca 0.49 0.97 0.00 0.00 0.69 0.00 0.00 54.13 56.29 2jqj s LEU 112 Cb -0.28 -2.91 -0.02 0.00 -0.43 0.00 0.00 46.19 42.55 2jqj s LEU 112 CO 0.35 -0.14 -0.03 0.55 -0.29 0.00 0.00 176.35 176.80 2jqj n VAL 113 N 4.05 0.16 -2.15 1.68 3.14 -1.26 -5.02 118.33 118.93 2jqj n VAL 113 Ca -0.03 -0.06 -0.27 0.00 -2.96 0.00 0.00 64.34 61.02 2jqj n VAL 113 Cb 0.51 -0.61 0.11 0.00 -1.06 0.00 0.00 33.84 32.79 2jqj n VAL 113 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2jqj s LYS 114 N -2.06 1.61 -0.22 1.45 -0.14 -1.26 -5.02 119.74 114.10 2jqj s LYS 114 Ca -0.04 -0.40 0.11 0.00 -1.36 0.00 0.00 55.97 54.28 2jqj s LYS 114 Cb 0.01 -2.07 0.43 0.00 -1.68 0.00 0.00 37.83 34.52 2jqj s LYS 114 CO 0.07 -1.68 1.21 0.36 -0.76 0.00 0.00 175.35 174.55 2jqj n LYS 115 N -3.21 2.07 -2.68 1.68 2.85 -1.26 -4.55 118.16 113.06 2jqj n LYS 115 Ca 0.11 -3.49 -0.08 0.00 -1.05 0.00 0.00 58.31 53.80 2jqj n LYS 115 Cb 0.60 -1.73 0.06 0.00 -0.65 0.00 0.00 35.03 33.31 2jqj n LYS 115 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jqj n ASP 116 N -0.93 0.46 -4.75 -5.58 2.03 -1.26 -4.78 116.55 101.73 2jqj n ASP 116 Ca 0.25 -2.61 -0.40 0.00 0.52 0.00 0.00 54.79 52.55 2jqj n ASP 116 Cb 0.79 -0.07 -0.06 0.00 -0.72 0.00 0.00 41.12 41.06 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 -2.16 3.90 -0.29 -0.67 5.04 -1.14 -4.93 117.35 117.10 2jqj s TYR 117 Ca 0.25 1.77 -0.13 0.00 -2.44 0.00 0.00 57.07 56.53 2jqj s TYR 117 Cb 0.44 -2.93 -0.04 0.00 0.35 0.00 0.00 41.96 39.78 2jqj s TYR 117 CO -0.00 0.39 0.26 -1.50 -1.34 0.00 0.00 175.55 173.36 2jqj s ILE 118 N -0.77 5.26 -0.13 3.14 1.10 -1.26 -0.78 121.20 127.75 2jqj s ILE 118 Ca 0.41 0.22 -0.06 0.00 -0.51 0.00 0.00 60.65 60.70 2jqj s ILE 118 Cb -0.24 -3.63 -0.04 0.00 0.15 0.00 0.00 42.46 38.70 2jqj s ILE 118 CO 0.29 0.16 0.08 -0.22 -2.11 0.00 0.00 174.94 173.13 2jqj s LEU 119 N 1.87 3.97 0.45 8.50 0.20 0.21 -4.96 118.68 128.92 2jqj s LEU 119 Ca 0.09 0.24 0.03 0.00 0.69 0.00 0.00 54.13 55.18 2jqj s LEU 119 Cb -0.16 -1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 43.61 2jqj s LEU 119 CO 0.11 0.31 0.07 -0.54 -0.29 0.00 0.00 176.35 176.02 2jqj s LYS 120 N -0.46 2.04 0.34 1.98 1.02 -1.26 -2.92 119.74 120.48 2jqj s LYS 120 Ca 0.10 -2.27 -0.29 0.00 0.02 0.00 0.00 55.97 53.53 2jqj s LYS 120 Cb -0.12 -1.01 -0.11 0.00 -0.52 0.00 0.00 37.83 36.07 2jqj s LYS 120 CO 0.02 -0.42 1.53 0.27 -0.92 0.00 0.00 175.35 175.83 2jqj n ASN 121 N -1.29 3.78 -1.87 2.83 0.23 -1.26 -3.52 115.26 114.15 2jqj n ASN 121 Ca -0.11 1.19 -0.05 0.00 -0.53 0.00 0.00 54.58 55.08 2jqj n ASN 121 Cb 0.66 -1.60 0.02 0.00 -2.08 0.00 0.00 39.78 36.78 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jqj n GLY 122 N 1.25 0.27 3.38 4.83 0.00 0.42 -5.01 105.19 110.33 2jqj n GLY 122 Ca 0.05 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.24 3.50 -0.24 1.61 1.11 -1.14 -4.93 116.67 113.34 2jqj s ASP 123 Ca 0.07 -0.35 -0.09 0.00 0.18 0.00 0.00 52.55 52.37 2jqj s ASP 123 Cb -0.01 -0.64 -0.04 0.00 1.07 0.00 0.00 42.92 43.30 2jqj s ASP 123 CO 0.21 0.32 0.11 -0.60 1.18 0.00 0.00 175.17 176.39 2jqj s ARG 124 N -0.59 3.87 -0.04 8.23 3.52 -1.26 -1.38 118.95 131.30 2jqj s ARG 124 Ca 0.09 -0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.36 2jqj s ARG 124 Cb -0.11 -3.40 -0.00 0.00 -1.56 0.00 0.00 34.95 29.88 2jqj s ARG 124 CO 0.00 -0.02 -0.16 0.42 -0.81 0.00 0.00 175.30 174.73 2jqj s ILE 125 N 1.20 1.35 -0.14 4.11 1.09 -0.96 -2.67 121.20 125.19 2jqj s ILE 125 Ca 0.06 -0.68 0.02 0.00 -1.10 0.00 0.00 60.65 58.95 2jqj s ILE 125 Cb -0.14 -1.16 0.01 0.00 -1.06 0.00 0.00 42.46 40.11 2jqj s ILE 125 CO 0.04 0.39 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.37 2jqj s VAL 126 N 0.02 1.99 -0.09 2.92 1.01 -0.02 -2.17 120.40 124.06 2jqj s VAL 126 Ca -0.03 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2jqj s VAL 126 Cb -0.11 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 2jqj s VAL 126 CO 0.02 0.54 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 2jqj s PHE 127 N 0.83 2.47 0.00 5.22 0.08 0.69 -0.97 117.98 126.31 2jqj s PHE 127 Ca -0.07 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.00 2jqj s PHE 127 Cb -0.15 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 2jqj s PHE 127 CO -0.02 -0.39 0.00 0.41 -0.10 0.00 0.00 175.22 175.12 2jqj n GLY 128 N 3.48 1.79 2.06 4.36 0.00 -0.85 -2.21 105.19 113.82 2jqj n GLY 128 Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 2jqj n GLY 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jqj n LYS 129 N -2.00 -0.23 0.00 1.61 5.02 -1.26 -4.79 118.16 116.50 2jqj n LYS 129 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2jqj n LYS 129 Cb 0.00 -3.86 0.00 0.00 -0.02 0.00 0.00 35.03 31.15 2jqj n LYS 129 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jqj n SER 130 N 1.45 0.00 -4.59 4.39 7.64 -1.24 -5.07 113.62 116.20 2jqj n SER 130 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.42 2jqj n SER 130 Cb 0.47 0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.87 2jqj n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jqj s SER 132 N 3.61 2.57 0.04 0.00 0.15 -1.26 -0.22 113.70 118.59 2jqj s SER 132 Ca 0.52 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.68 2jqj s SER 132 Cb -0.10 -1.16 -0.02 0.00 -1.71 0.00 0.00 66.02 63.02 2jqj s SER 132 CO 0.29 0.05 0.04 0.72 1.20 0.00 0.00 173.24 175.53 2jqj s PHE 133 N 0.85 0.30 -0.09 3.44 -0.12 -0.92 -1.42 117.98 120.02 2jqj s PHE 133 Ca -0.09 -0.67 -0.02 0.00 -0.05 0.00 0.00 56.93 56.10 2jqj s PHE 133 Cb -0.15 -0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 2jqj s PHE 133 CO 0.00 -0.34 0.01 -1.17 -0.05 0.00 0.00 175.22 173.67 2jqj s LEU 134 N -2.24 3.63 -0.07 -1.99 0.20 0.51 -2.26 118.68 116.45 2jqj s LEU 134 Ca -0.03 0.16 -0.03 0.00 0.69 0.00 0.00 54.13 54.92 2jqj s LEU 134 Cb -0.00 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 2jqj s LEU 134 CO -0.06 0.38 0.08 0.12 -0.29 0.00 0.00 176.35 176.58 2jqj s PHE 135 N -0.90 3.36 -0.07 5.38 5.36 -0.48 -1.33 117.98 129.31 2jqj s PHE 135 Ca 0.13 0.32 -0.21 0.00 -0.96 0.00 0.00 56.93 56.22 2jqj s PHE 135 Cb -0.11 -1.83 0.05 0.00 -0.34 0.00 0.00 43.02 40.78 2jqj s PHE 135 CO 0.02 0.59 0.48 0.21 -1.46 0.00 0.00 175.22 175.07 2jqj s LYS 136 N -1.20 0.79 0.23 10.12 2.20 -1.15 -0.43 119.74 130.30 2jqj s LYS 136 Ca 0.17 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 2jqj s LYS 136 Cb -0.12 0.37 -0.09 0.00 -1.51 0.00 0.00 37.83 36.48 2jqj s LYS 136 CO 0.07 -0.21 0.94 0.71 -0.36 0.00 0.00 175.35 176.50 2jqj s TYR 137 N -0.91 3.97 0.31 4.03 2.02 -1.26 -2.15 117.35 123.36 2jqj s TYR 137 Ca -0.10 1.91 0.08 0.00 -0.37 0.00 0.00 57.07 58.60 2jqj s TYR 137 Cb -0.03 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 2jqj s TYR 137 CO 0.05 0.43 0.14 0.00 -1.57 0.00 0.00 175.55 174.60 2jqj s ALA 138 N -1.12 3.49 0.40 3.71 0.00 0.29 -4.88 121.76 123.65 2jqj s ALA 138 Ca 0.41 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.72 2jqj s ALA 138 Cb -0.26 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2jqj s ALA 138 CO 0.32 0.13 0.09 0.43 0.00 0.00 0.00 175.76 176.73 2jqj n SER 139 N -1.13 1.87 -4.56 0.00 7.64 -1.26 -4.60 113.62 111.58 2jqj n SER 139 Ca -0.05 -2.99 -0.41 0.00 1.01 0.00 0.00 58.87 56.44 2jqj n SER 139 Cb 0.60 0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 64.51 2jqj n SER 139 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jqj s SER 140 N -3.36 6.21 -1.18 6.43 0.15 -1.26 -4.94 113.70 115.75 2jqj s SER 140 Ca 0.13 -0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.37 2jqj s SER 140 Cb 0.01 -2.56 0.20 0.00 -1.71 0.00 0.00 66.02 61.96 2jqj s SER 140 CO 0.09 -1.76 1.34 -0.44 1.20 0.00 0.00 173.24 173.67 2jqj s SER 141 N 3.67 7.15 -1.01 5.45 0.01 -1.26 -4.96 113.70 122.75 2jqj s SER 141 Ca 0.38 -3.18 -0.23 0.00 1.31 0.00 0.00 55.95 54.23 2jqj s SER 141 Cb -0.08 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 2jqj s SER 141 CO 0.18 -0.61 1.80 -0.94 0.41 0.00 0.00 173.24 174.08 2jqj s SER 142 N 2.38 5.60 -0.26 2.44 1.04 -1.26 -4.86 113.70 118.78 2jqj s SER 142 Ca 0.39 -1.18 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 2jqj s SER 142 Cb -0.05 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.60 2jqj s SER 142 CO -0.02 -2.37 0.14 0.42 0.98 0.00 0.00 173.24 172.39 2jqj s THR 143 N 8.50 -0.12 -0.33 2.02 -4.23 -1.26 -4.98 115.64 115.23 2jqj s THR 143 Ca 0.62 -0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 60.53 2jqj s THR 143 Cb -0.03 -0.87 0.01 0.00 1.34 0.00 0.00 72.50 72.95 2jqj s THR 143 CO 0.00 -0.57 0.17 0.47 -0.54 0.00 0.00 174.62 174.15 2jqj n ASP 144 N 5.27 -7.88 0.00 3.99 8.00 -1.26 -5.07 116.55 119.60 2jqj n ASP 144 Ca -0.06 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.60 2jqj n ASP 144 Cb 0.44 -5.26 0.00 0.00 -0.02 0.00 0.00 41.12 36.28 2jqj n ASP 144 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2jqj n ILE 145 N 0.41 0.00 -4.06 0.53 -0.00 -1.26 -5.14 119.36 109.84 2jqj n ILE 145 Ca 0.03 0.00 -0.22 0.00 -0.00 0.00 0.00 62.75 62.57 2jqj n ILE 145 Cb 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 39.73 2jqj n ILE 145 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2jqj s GLU 146 N 4.29 3.05 0.12 0.38 2.02 -1.26 -5.05 118.70 122.24 2jqj s GLU 146 Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.00 2jqj s GLU 146 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.59 2jqj s GLU 146 CO 0.00 0.39 0.00 0.09 0.02 0.00 0.00 175.26 175.76 2jqj n ASN 147 N -1.25 0.67 -4.77 -0.19 4.13 -1.26 -5.07 115.26 107.53 2jqj n ASN 147 Ca -0.08 0.19 -0.38 0.00 1.68 0.00 0.00 54.58 55.99 2jqj n ASN 147 Cb 0.58 -0.13 -0.00 0.00 -1.54 0.00 0.00 39.78 38.68 2jqj n ASN 147 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 2jqj s ASP 148 N -5.63 6.05 0.55 6.41 1.47 -1.26 -5.04 116.67 119.22 2jqj s ASP 148 Ca 0.00 2.42 0.08 0.00 1.18 0.00 0.00 52.55 56.23 2jqj s ASP 148 Cb 0.00 -2.61 0.07 0.00 -0.34 0.00 0.00 42.92 40.04 2jqj s ASP 148 CO 0.00 -1.00 0.75 -1.81 0.68 0.00 0.00 175.17 173.79 2jqj s ASP 149 N -1.22 5.18 0.00 2.11 1.01 -1.26 -5.06 116.67 117.43 2jqj s ASP 149 Ca 0.64 -0.66 0.00 0.00 0.71 0.00 0.00 52.55 53.24 2jqj s ASP 149 Cb -0.32 -0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.59 2jqj s ASP 149 CO 0.38 -1.24 0.00 -0.62 0.21 0.00 0.00 175.17 173.91 2jqj n GLU 150 N -2.20 0.00 -0.02 8.23 1.02 -1.26 -4.87 120.64 121.53 2jqj n GLU 150 Ca 0.13 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 2jqj n GLU 150 Cb 0.61 -0.42 -0.10 0.00 -0.02 0.00 0.00 31.44 31.51 2jqj n GLU 150 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2jqj h LYS 151 N 0.00 0.06 -5.20 3.49 1.79 -2.05 -3.43 116.57 111.23 2jqj h LYS 151 Ca 0.00 -0.04 -0.61 0.00 -2.18 0.00 0.00 60.65 57.82 2jqj h LYS 151 Cb 0.54 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.05 2jqj h LYS 151 CO 0.00 0.57 -0.53 0.14 -1.08 0.00 0.00 179.45 178.55 2jqj s VAL 152 N -4.12 5.12 -0.06 0.50 -7.23 -1.26 -5.08 120.40 108.26 2jqj s VAL 152 Ca -0.16 0.09 -0.12 0.00 -1.81 0.00 0.00 61.98 59.99 2jqj s VAL 152 Cb 0.02 -3.35 0.02 0.00 0.56 0.00 0.00 36.38 33.64 2jqj s VAL 152 CO 0.69 0.41 0.29 -0.44 -0.31 0.00 0.00 175.10 175.74 2jqj s SER 153 N 0.64 -0.23 0.25 4.85 0.01 -1.26 -4.63 113.70 113.32 2jqj s SER 153 Ca 0.06 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2jqj s SER 153 Cb -0.12 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2jqj s SER 153 CO 0.01 -0.26 0.00 -0.24 0.41 0.00 0.00 173.24 173.16 2jqj n SER 154 N 2.16 -2.21 -2.66 2.44 2.88 -1.26 -5.13 113.62 109.85 2jqj n SER 154 Ca -0.17 0.48 -0.04 0.00 -1.33 0.00 0.00 58.87 57.81 2jqj n SER 154 Cb 0.57 2.28 -0.03 0.00 -0.75 0.00 0.00 64.21 66.28 2jqj n SER 154 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jqj n GLU 155 N -2.99 -4.19 -3.28 -1.46 2.13 -1.26 -5.07 120.64 104.51 2jqj n GLU 155 Ca 0.00 3.21 0.03 0.00 0.66 0.00 0.00 57.16 61.06 2jqj n GLU 155 Cb 0.00 -5.06 -0.03 0.00 0.27 0.00 0.00 31.44 26.62 2jqj n GLU 155 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2jqj s SER 156 N -0.96 -0.52 -0.48 4.31 1.04 -1.26 -5.11 113.70 110.71 2jqj s SER 156 Ca -0.19 0.56 0.03 0.00 0.48 0.00 0.00 55.95 56.82 2jqj s SER 156 Cb 0.01 1.53 0.15 0.00 0.10 0.00 0.00 66.02 67.81 2jqj s SER 156 CO 0.77 -0.10 0.30 -0.13 0.98 0.00 0.00 173.24 175.07 2jqj s ARG 157 N 2.59 1.41 -0.32 4.02 0.52 -1.26 -5.00 118.95 120.91 2jqj s ARG 157 Ca -0.01 -2.25 -0.09 0.00 -0.52 0.00 0.00 55.73 52.86 2jqj s ARG 157 Cb -0.07 -2.35 0.19 0.00 0.52 0.00 0.00 34.95 33.24 2jqj s ARG 157 CO -0.15 -1.22 1.04 0.45 0.02 0.00 0.00 175.30 175.43 2jqj s SER 158 N -0.01 -0.38 0.00 0.23 0.15 -1.26 -5.37 113.70 107.07 2jqj s SER 158 Ca 0.22 -0.15 0.19 0.00 0.70 0.00 0.00 55.95 56.90 2jqj s SER 158 Cb -0.16 0.59 0.15 0.00 -1.71 0.00 0.00 66.02 64.89 2jqj s SER 158 CO -0.06 -0.05 1.09 -1.22 1.20 0.00 0.00 173.24 174.20