#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqj s ARG 20 N 0.00 2.23 -0.38 1.64 3.03 -1.26 -5.04 118.95 119.16 2jqj s ARG 20 Ca 0.00 -2.12 -0.27 0.00 2.03 0.00 0.00 55.73 55.37 2jqj s ARG 20 Cb 0.00 -1.87 -0.06 0.00 -1.03 0.00 0.00 34.95 31.99 2jqj s ARG 20 CO 0.00 -0.42 2.33 -0.65 -1.13 0.00 0.00 175.30 175.43 2jqj s GLN 21 N -4.06 2.50 0.89 3.89 -0.21 -1.26 -4.95 119.66 116.47 2jqj s GLN 21 Ca 0.25 1.65 -0.15 0.00 0.02 0.00 0.00 55.36 57.13 2jqj s GLN 21 Cb 0.00 -4.50 0.21 0.00 1.00 0.00 0.00 33.01 29.73 2jqj s GLN 21 CO 0.15 -2.82 1.02 1.04 -2.12 0.00 0.00 175.29 172.56 2jqj n GLN 22 N 8.92 -1.76 0.00 2.91 6.02 -1.26 -4.98 117.38 127.23 2jqj n GLN 22 Ca 0.34 -1.60 0.00 0.00 -0.01 0.00 0.00 57.00 55.73 2jqj n GLN 22 Cb 0.51 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.55 2jqj n GLN 22 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2jqj n ARG 23 N -3.71 0.00 -0.04 -1.09 1.85 -1.26 -5.00 116.66 107.42 2jqj n ARG 23 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.87 2jqj n ARG 23 Cb 0.48 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.79 2jqj n ARG 23 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2jqj h SER 24 N 0.00 -0.03 -4.83 2.89 4.64 -2.03 -3.47 113.55 110.72 2jqj h SER 24 Ca 0.00 -0.69 -0.45 0.00 -0.47 0.00 0.00 61.79 60.19 2jqj h SER 24 Cb 0.00 0.01 0.12 0.00 -0.31 0.00 0.00 62.40 62.22 2jqj h SER 24 CO 0.00 0.74 0.24 0.59 -0.87 0.00 0.00 176.83 177.53 2jqj n ASN 25 N -4.73 0.83 -4.65 4.97 3.02 -1.26 -5.03 115.26 108.41 2jqj n ASN 25 Ca -0.08 -1.86 -0.43 0.00 -0.03 0.00 0.00 54.58 52.18 2jqj n ASN 25 Cb 0.35 -0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 2jqj n ASN 25 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2jqj s LYS 26 N -5.43 4.21 0.44 3.52 3.01 -1.26 -5.03 119.74 119.20 2jqj s LYS 26 Ca 0.70 1.18 -0.24 0.00 -1.01 0.00 0.00 55.97 56.60 2jqj s LYS 26 Cb -0.03 -3.65 -0.08 0.00 -1.01 0.00 0.00 37.83 33.06 2jqj s LYS 26 CO 0.47 -0.62 1.17 -1.25 0.51 0.00 0.00 175.35 175.63 2jqj s PRO 27 N 3.12 3.88 -0.95 -1.68 0.04 -1.26 -4.89 135.00 133.25 2jqj s PRO 27 Ca 0.41 1.80 -0.22 0.00 0.04 0.00 0.00 61.00 63.03 2jqj s PRO 27 Cb -0.15 -2.51 -0.12 0.00 0.04 0.00 0.00 34.50 31.76 2jqj s PRO 27 CO 0.07 -0.46 1.93 0.43 0.04 0.00 0.00 177.00 179.02 2jqj n SER 28 N -0.27 2.86 -1.29 6.66 7.64 -1.26 -3.82 113.62 124.13 2jqj n SER 28 Ca 0.06 -2.70 -0.03 0.00 1.01 0.00 0.00 58.87 57.21 2jqj n SER 28 Cb 0.47 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2jqj n SER 28 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jqj n SER 29 N 9.62 -0.65 -3.66 6.43 2.88 -1.26 -5.12 113.62 121.86 2jqj n SER 29 Ca 0.48 -1.32 -0.05 0.00 -1.33 0.00 0.00 58.87 56.64 2jqj n SER 29 Cb 0.43 0.25 -0.07 0.00 -0.75 0.00 0.00 64.21 64.06 2jqj n SER 29 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jqj s GLU 30 N 0.03 0.46 0.00 -1.46 -6.30 -1.25 -5.14 118.70 105.05 2jqj s GLU 30 Ca 0.02 1.21 0.00 0.00 -2.50 0.00 0.00 54.97 53.70 2jqj s GLU 30 Cb 0.09 0.51 0.00 0.00 0.00 0.00 0.00 34.13 34.74 2jqj s GLU 30 CO -0.03 -0.21 0.00 0.66 0.02 0.00 0.00 175.26 175.70 2jqj n TYR 31 N 5.24 0.00 -3.81 5.30 4.02 -1.26 -5.07 117.16 121.59 2jqj n TYR 31 Ca -0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.63 2jqj n TYR 31 Cb 0.50 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.67 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 0.88 -0.03 0.51 -0.72 -4.23 -1.26 -5.02 115.64 105.77 2jqj s THR 32 Ca 0.00 0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.41 2jqj s THR 32 Cb 0.00 -0.07 -0.06 0.00 1.34 0.00 0.00 72.50 73.71 2jqj s THR 32 CO 0.00 0.05 1.39 0.00 -0.54 0.00 0.00 174.62 175.52 2jqj n LEU 34 N -0.73 0.00 0.00 0.00 0.00 -1.16 -4.86 117.00 110.26 2jqj n LEU 34 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 56.00 2jqj n LEU 34 Cb 0.43 0.18 -0.01 0.00 0.00 0.00 0.00 43.42 44.02 2jqj n LEU 34 CO 0.55 -0.33 0.18 0.61 0.00 0.00 0.00 177.39 178.40 2jqj n GLY 35 N -0.14 2.14 3.20 -3.96 0.00 -1.10 -0.49 105.19 104.84 2jqj n GLY 35 Ca 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.65 0.10 -0.08 1.61 3.76 -1.09 -0.03 115.29 115.91 2jqj s HIS 36 Ca 0.19 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 2jqj s HIS 36 Cb -0.01 -0.04 0.01 0.00 1.11 0.00 0.00 32.58 33.65 2jqj s HIS 36 CO 0.14 -0.50 -0.14 -0.48 -0.85 0.00 0.00 174.74 172.90 2jqj s LEU 37 N -2.54 1.71 -0.22 0.89 2.34 0.80 -2.96 118.68 118.69 2jqj s LEU 37 Ca 0.01 -0.35 -0.05 0.00 0.06 0.00 0.00 54.13 53.79 2jqj s LEU 37 Cb 0.02 -0.94 -0.02 0.00 -0.56 0.00 0.00 46.19 44.69 2jqj s LEU 37 CO -0.08 0.05 0.00 -0.69 -1.06 0.00 0.00 176.35 174.57 2jqj s VAL 38 N 0.66 3.85 -0.26 1.48 1.01 -0.80 -1.08 120.40 125.27 2jqj s VAL 38 Ca -0.14 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 2jqj s VAL 38 Cb -0.16 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2jqj s VAL 38 CO 0.04 0.40 0.62 0.20 0.00 0.00 0.00 175.10 176.36 2jqj s ASN 39 N 1.31 6.56 -0.46 3.32 0.01 0.16 0.34 114.94 126.18 2jqj s ASN 39 Ca 0.04 0.67 -0.29 0.00 -0.71 0.00 0.00 52.86 52.58 2jqj s ASN 39 Cb -0.15 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.20 2jqj s ASN 39 CO 0.01 -0.37 1.40 -0.76 -1.51 0.00 0.00 177.10 175.87 2jqj s LEU 40 N 2.49 3.54 -0.03 0.60 1.43 0.22 -3.01 118.68 123.91 2jqj s LEU 40 Ca 0.25 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.07 2jqj s LEU 40 Cb -0.15 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 2jqj s LEU 40 CO 0.09 -1.50 -0.23 -0.63 0.23 0.00 0.00 176.35 174.31 2jqj s ILE 41 N 5.56 1.82 0.57 -0.59 1.01 -1.26 -4.54 121.20 123.77 2jqj s ILE 41 Ca 0.58 -0.97 0.34 0.00 0.00 0.00 0.00 60.65 60.60 2jqj s ILE 41 Cb -0.12 -1.52 0.50 0.00 0.01 0.00 0.00 42.46 41.32 2jqj s ILE 41 CO 0.31 0.51 1.71 -0.65 0.00 0.00 0.00 174.94 176.82 2jqj h PRO 42 N 5.74 0.00 0.00 2.79 0.11 -2.01 -3.41 132.00 135.23 2jqj h PRO 42 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2jqj h PRO 42 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jqj h PRO 42 CO 0.47 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.67 2jqj n GLY 43 N -1.70 1.51 3.66 -0.55 0.00 -1.26 -5.06 105.19 101.79 2jqj n GLY 43 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 2jqj n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqj n LYS 44 N 0.00 1.89 -2.89 1.61 0.00 -1.26 -4.96 118.16 112.55 2jqj n LYS 44 Ca 0.00 0.67 -0.33 0.00 0.00 0.00 0.00 58.31 58.65 2jqj n LYS 44 Cb 0.00 -2.22 -0.06 0.00 0.00 0.00 0.00 35.03 32.75 2jqj n LYS 44 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2jqj s GLU 45 N -1.34 4.12 -0.28 1.64 2.02 -1.26 -4.51 118.70 119.09 2jqj s GLU 45 Ca 0.60 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.53 2jqj s GLU 45 Cb -0.63 -2.27 0.05 0.00 0.10 0.00 0.00 34.13 31.38 2jqj s GLU 45 CO 0.58 0.01 -0.05 -1.14 0.02 0.00 0.00 175.26 174.68 2jqj s GLN 46 N -3.21 2.39 -0.21 1.61 0.74 -1.16 -5.00 119.66 114.81 2jqj s GLN 46 Ca 0.59 -1.27 -0.03 0.00 0.05 0.00 0.00 55.36 54.70 2jqj s GLN 46 Cb -0.09 -3.04 -0.01 0.00 1.10 0.00 0.00 33.01 30.97 2jqj s GLN 46 CO 0.17 -0.58 -0.07 0.21 -0.55 0.00 0.00 175.29 174.47 2jqj s LYS 47 N 1.20 3.34 0.12 1.67 2.47 -1.26 0.38 119.74 127.65 2jqj s LYS 47 Ca -0.06 -0.65 0.09 0.00 -1.56 0.00 0.00 55.97 53.78 2jqj s LYS 47 Cb -0.20 -2.92 -0.04 0.00 -1.46 0.00 0.00 37.83 33.21 2jqj s LYS 47 CO -0.03 -0.16 -0.21 0.08 0.16 0.00 0.00 175.35 175.19 2jqj s VAL 48 N 1.34 1.79 -0.08 4.02 1.01 -0.24 -4.99 120.40 123.26 2jqj s VAL 48 Ca 0.04 -1.64 -0.05 0.00 0.00 0.00 0.00 61.98 60.33 2jqj s VAL 48 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2jqj s VAL 48 CO -0.04 -0.10 0.15 -1.83 0.00 0.00 0.00 175.10 173.29 2jqj s GLU 49 N -2.10 3.42 -0.10 2.72 -1.05 -1.26 -0.14 118.70 120.18 2jqj s GLU 49 Ca 0.09 -0.21 0.02 0.00 -0.15 0.00 0.00 54.97 54.72 2jqj s GLU 49 Cb -0.09 -3.14 -0.01 0.00 -0.44 0.00 0.00 34.13 30.44 2jqj s GLU 49 CO 0.05 0.74 -0.17 -1.50 0.95 0.00 0.00 175.26 175.33 2jqj s ILE 50 N -1.13 2.73 0.43 1.83 2.07 0.95 -4.91 121.20 123.17 2jqj s ILE 50 Ca 0.19 -0.79 0.05 0.00 -1.41 0.00 0.00 60.65 58.69 2jqj s ILE 50 Cb -0.12 -2.10 0.01 0.00 0.13 0.00 0.00 42.46 40.38 2jqj s ILE 50 CO 0.09 0.55 0.60 0.42 -1.91 0.00 0.00 174.94 174.69 2jqj s THR 51 N 0.12 3.32 -1.45 4.00 -4.23 -1.26 -2.70 115.64 113.44 2jqj s THR 51 Ca -0.08 -0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 59.48 2jqj s THR 51 Cb -0.15 -3.17 0.04 0.00 1.34 0.00 0.00 72.50 70.56 2jqj s THR 51 CO 0.05 -0.08 2.51 -0.46 -0.54 0.00 0.00 174.62 176.10 2jqj n ASN 52 N -1.94 7.37 -0.07 3.99 0.23 -1.10 -4.61 115.26 119.13 2jqj n ASN 52 Ca 0.05 -2.89 0.12 0.00 -0.53 0.00 0.00 54.58 51.33 2jqj n ASN 52 Cb 0.59 -1.49 0.66 0.00 -2.08 0.00 0.00 39.78 37.45 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 3.27 1.09 0.00 -3.83 0.63 -1.26 -4.87 116.66 111.69 2jqj n ARG 53 Ca 0.64 -0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 2jqj n ARG 53 Cb 0.27 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.81 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 -0.72 0.00 -3.92 6.15 5.15 -0.83 -4.79 115.26 116.30 2jqj n ASN 54 Ca 0.17 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 54.00 2jqj n ASN 54 Cb 0.11 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.22 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jqj s VAL 55 N 0.00 0.28 -0.08 3.44 1.01 -1.26 -1.73 120.40 122.06 2jqj s VAL 55 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2jqj s VAL 55 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.13 2jqj s VAL 55 CO 0.00 0.09 -0.17 -0.89 0.00 0.00 0.00 175.10 174.14 2jqj s THR 56 N 0.08 1.51 -0.09 3.92 2.01 0.55 -4.86 115.64 118.76 2jqj s THR 56 Ca -0.00 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 2jqj s THR 56 Cb -0.03 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 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 0.57 4.82 -0.08 -0.82 -4.23 -1.26 -0.34 115.64 114.29 2jqj s THR 57 Ca -0.16 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2jqj s THR 57 Cb -0.17 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.62 2jqj s THR 57 CO 0.05 0.58 -0.05 -0.63 -0.54 0.00 0.00 174.62 174.03 2jqj s ILE 58 N -0.98 0.76 -1.74 2.99 1.01 -0.86 0.16 121.20 122.54 2jqj s ILE 58 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2jqj s ILE 58 Cb -0.12 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2jqj s ILE 58 CO 0.04 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2jqj n GLY 59 N 4.65 -0.71 0.10 6.18 0.00 -0.99 -2.92 105.19 111.50 2jqj n GLY 59 Ca -0.15 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 2jqj n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jqj n ARG 60 N 0.00 0.67 -1.66 1.61 3.00 -1.23 -2.63 116.66 116.42 2jqj n ARG 60 Ca 0.00 0.20 -0.43 0.00 -0.00 0.00 0.00 57.85 57.62 2jqj n ARG 60 Cb 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 32.46 30.77 2jqj n ARG 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jqj n SER 61 N -3.09 2.23 0.20 6.15 2.88 -1.26 -4.88 113.62 115.84 2jqj n SER 61 Ca -0.27 1.20 0.07 0.00 -1.33 0.00 0.00 58.87 58.54 2jqj n SER 61 Cb 1.07 -1.41 0.36 0.00 -0.75 0.00 0.00 64.21 63.48 2jqj n SER 61 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jqj h ARG 62 N 2.35 0.00 0.00 -1.46 3.08 -1.98 -2.87 114.38 113.50 2jqj h ARG 62 Ca -0.44 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.57 2jqj h ARG 62 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 2jqj h ARG 62 CO 0.62 0.33 -0.23 0.66 -1.07 0.00 0.00 179.97 180.28 2jqj h SER 63 N 0.00 0.00 -3.71 7.04 4.64 -2.00 -3.45 113.55 116.07 2jqj h SER 63 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2jqj h SER 63 Cb 0.86 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 63.16 2jqj h SER 63 CO 0.04 0.23 0.02 0.00 -0.87 0.00 0.00 176.83 176.25 2jqj h ASP 65 N -2.20 -0.42 -3.46 0.00 5.19 0.12 -3.44 116.42 112.21 2jqj h ASP 65 Ca -0.51 -0.04 -0.65 0.00 -0.62 0.00 0.00 57.03 55.21 2jqj h ASP 65 Cb 1.30 0.11 -0.25 0.00 0.18 0.00 0.00 39.33 40.67 2jqj h ASP 65 CO 0.44 0.03 -0.68 -0.69 -3.12 0.00 0.00 179.24 175.21 2jqj s VAL 66 N -3.33 3.75 -0.48 -1.35 1.01 0.14 -4.93 120.40 115.20 2jqj s VAL 66 Ca -0.09 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2jqj s VAL 66 Cb 0.01 -2.71 0.07 0.00 0.00 0.00 0.00 36.38 33.75 2jqj s VAL 66 CO 0.27 0.41 0.46 0.27 0.00 0.00 0.00 175.10 176.52 2jqj s ILE 67 N 1.30 5.13 0.41 2.22 -4.36 -1.26 -2.35 121.20 122.28 2jqj s ILE 67 Ca 0.04 -0.92 0.24 0.00 -0.26 0.00 0.00 60.65 59.75 2jqj s ILE 67 Cb -0.15 -4.18 0.26 0.00 1.25 0.00 0.00 42.46 39.65 2jqj s ILE 67 CO 0.00 -0.65 2.04 -0.07 0.24 0.00 0.00 174.94 176.50 2jqj h LEU 68 N 9.02 0.00 2.03 0.37 -0.00 -1.88 -3.46 115.31 121.40 2jqj h LEU 68 Ca -0.28 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.23 2jqj h LEU 68 Cb 1.11 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.71 2jqj h LEU 68 CO 0.91 0.15 -0.43 -1.20 -0.00 0.00 0.00 178.44 177.87 2jqj n SER 69 N -3.77 -5.27 -4.84 -0.43 7.64 -1.26 -4.98 113.62 100.71 2jqj n SER 69 Ca -0.02 0.14 -0.33 0.00 1.01 0.00 0.00 58.87 59.67 2jqj n SER 69 Cb 0.25 -4.35 -0.06 0.00 -1.01 0.00 0.00 64.21 59.04 2jqj n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jqj s GLU 70 N -4.46 4.09 0.24 1.43 -6.30 -1.26 -4.96 118.70 107.47 2jqj s GLU 70 Ca 0.00 0.75 0.21 0.00 -2.50 0.00 0.00 54.97 53.44 2jqj s GLU 70 Cb 0.00 -2.54 0.95 0.00 0.00 0.00 0.00 34.13 32.55 2jqj s GLU 70 CO 0.00 0.21 1.64 -0.35 0.02 0.00 0.00 175.26 176.78 2jqj n PRO 71 N -0.09 0.15 -0.69 4.30 -0.04 -1.26 -2.91 135.00 134.46 2jqj n PRO 71 Ca 0.02 0.46 0.03 0.00 -0.04 0.00 0.00 63.50 63.98 2jqj n PRO 71 Cb 0.53 -1.84 0.04 0.00 -0.04 0.00 0.00 33.50 32.19 2jqj n PRO 71 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jqj n ASP 72 N -2.14 0.77 -4.66 3.54 5.68 -1.26 -5.06 116.55 113.41 2jqj n ASP 72 Ca 0.01 -2.33 -0.43 0.00 -0.50 0.00 0.00 54.79 51.55 2jqj n ASP 72 Cb 0.17 -0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 39.84 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2jqj s ILE 73 N -0.72 4.46 0.26 2.12 1.10 -1.15 -4.98 121.20 122.28 2jqj s ILE 73 Ca 0.17 1.76 -0.30 0.00 -0.51 0.00 0.00 60.65 61.76 2jqj s ILE 73 Cb 0.17 -4.14 -0.11 0.00 0.15 0.00 0.00 42.46 38.54 2jqj s ILE 73 CO -0.04 -0.15 1.56 -0.55 -2.11 0.00 0.00 174.94 173.65 2jqj s SER 74 N 1.61 6.48 0.48 4.50 0.15 -1.26 -3.63 113.70 122.04 2jqj s SER 74 Ca 0.50 2.82 0.16 0.00 0.70 0.00 0.00 55.95 60.13 2jqj s SER 74 Cb -0.19 -2.62 1.15 0.00 -1.71 0.00 0.00 66.02 62.65 2jqj s SER 74 CO 0.11 -0.85 2.06 0.74 1.20 0.00 0.00 173.24 176.50 2jqj h THR 75 N 3.55 0.94 -0.33 6.45 2.02 -1.91 -0.73 112.91 122.89 2jqj h THR 75 Ca -0.46 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2jqj h THR 75 Cb 1.22 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2jqj h THR 75 CO 0.82 0.04 0.00 0.49 0.37 0.00 0.00 175.52 177.24 2jqj n PHE 76 N -4.48 0.69 0.00 3.16 3.72 -1.26 -4.37 117.46 114.93 2jqj n PHE 76 Ca 0.04 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 2jqj n PHE 76 Cb 0.26 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2jqj n PHE 76 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jqj n HIS 77 N 0.17 0.00 -3.63 1.38 -0.00 -0.28 -4.54 115.22 108.31 2jqj n HIS 77 Ca 0.16 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.23 2jqj n HIS 77 Cb 0.62 -0.11 -0.03 0.00 -0.12 0.00 0.00 29.99 30.35 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 -3.28 -1.11 -0.05 1.57 0.00 -1.17 -2.23 121.76 115.49 2jqj s ALA 78 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.00 2jqj s ALA 78 Cb 0.00 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.94 2jqj s ALA 78 CO 0.00 -0.76 -0.13 -1.21 0.00 0.00 0.00 175.76 173.66 2jqj s GLU 79 N -3.82 1.60 -0.11 0.00 2.02 -1.15 -2.03 118.70 115.21 2jqj s GLU 79 Ca 0.05 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.63 2jqj s GLU 79 Cb -0.00 -1.36 -0.00 0.00 0.10 0.00 0.00 34.13 32.87 2jqj s GLU 79 CO -0.08 0.10 -0.22 -0.06 0.02 0.00 0.00 175.26 175.02 2jqj s PHE 80 N 0.40 2.60 -0.33 1.61 0.40 0.54 -1.87 117.98 121.33 2jqj s PHE 80 Ca -0.09 -1.04 -0.17 0.00 -0.60 0.00 0.00 56.93 55.03 2jqj s PHE 80 Cb -0.13 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 2jqj s PHE 80 CO 0.03 -0.42 0.45 -1.01 0.70 0.00 0.00 175.22 174.97 2jqj s HIS 81 N 0.40 3.20 -0.36 0.36 3.76 -1.02 0.20 115.29 121.84 2jqj s HIS 81 Ca -0.17 0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.85 2jqj s HIS 81 Cb -0.17 -2.78 0.03 0.00 1.11 0.00 0.00 32.58 30.77 2jqj s HIS 81 CO 0.07 -0.44 0.16 -1.17 -0.85 0.00 0.00 174.74 172.51 2jqj s LEU 82 N 2.23 4.56 -0.02 0.89 0.20 -0.70 -2.02 118.68 123.82 2jqj s LEU 82 Ca 0.16 -1.08 0.07 0.00 0.69 0.00 0.00 54.13 53.98 2jqj s LEU 82 Cb -0.16 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 2jqj s LEU 82 CO 0.12 -0.36 -0.24 -0.22 -0.29 0.00 0.00 176.35 175.35 2jqj s LEU 83 N 1.48 2.05 -0.14 -0.68 0.20 -1.16 -1.97 118.68 118.46 2jqj s LEU 83 Ca 0.00 -0.44 -0.04 0.00 0.69 0.00 0.00 54.13 54.34 2jqj s LEU 83 Cb -0.19 -1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 2jqj s LEU 83 CO 0.05 0.30 -0.01 -1.58 -0.29 0.00 0.00 176.35 174.82 2jqj s GLN 84 N -0.56 3.50 -0.00 1.98 0.74 -1.26 -2.88 119.66 121.17 2jqj s GLN 84 Ca 0.09 -0.45 -0.00 0.00 0.05 0.00 0.00 55.36 55.05 2jqj s GLN 84 Cb -0.09 -2.93 -0.00 0.00 1.10 0.00 0.00 33.01 31.08 2jqj s GLN 84 CO -0.01 0.40 0.00 -1.64 -0.55 0.00 0.00 175.29 173.50 2jqj s MET 85 N -0.05 0.03 -0.28 1.67 -1.94 -1.01 -5.05 119.30 112.67 2jqj s MET 85 Ca 0.03 -0.03 -0.14 0.00 -1.71 0.00 0.00 55.69 53.84 2jqj s MET 85 Cb -0.13 0.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.68 2jqj s MET 85 CO 0.02 -0.00 0.31 0.16 -0.01 0.00 0.00 175.02 175.49 2jqj s ASP 86 N -0.10 6.16 -0.14 3.03 -4.77 -1.26 -0.42 116.67 119.18 2jqj s ASP 86 Ca -0.01 0.15 -0.02 0.00 -3.30 0.00 0.00 52.55 49.36 2jqj s ASP 86 Cb -0.01 -2.18 0.05 0.00 -1.09 0.00 0.00 42.92 39.69 2jqj s ASP 86 CO -0.00 -0.15 0.03 -0.69 0.70 0.00 0.00 175.17 175.06 2jqj s VAL 87 N 1.96 0.37 -0.49 2.11 1.01 -0.61 -4.94 120.40 119.82 2jqj s VAL 87 Ca 0.12 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 2jqj s VAL 87 Cb -0.16 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2jqj s VAL 87 CO 0.10 -0.01 0.62 0.47 0.00 0.00 0.00 175.10 176.29 2jqj n ASP 88 N 5.12 -7.89 0.00 3.32 9.92 -1.26 -3.99 116.55 121.78 2jqj n ASP 88 Ca -0.08 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 2jqj n ASP 88 Cb 0.49 -5.32 0.00 0.00 -0.64 0.00 0.00 41.12 35.65 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 -0.58 0.00 -4.77 -2.24 4.13 -1.26 -4.76 115.26 105.78 2jqj n ASN 89 Ca 0.09 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.04 2jqj n ASN 89 Cb 0.47 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.80 2jqj n ASN 89 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2jqj s PHE 90 N 0.00 2.56 -0.05 3.10 0.40 -1.26 -5.00 117.98 117.73 2jqj s PHE 90 Ca 0.00 1.56 0.02 0.00 -0.60 0.00 0.00 56.93 57.91 2jqj s PHE 90 Cb 0.00 -3.06 -0.03 0.00 0.51 0.00 0.00 43.02 40.44 2jqj s PHE 90 CO 0.00 -1.81 -0.10 1.14 0.70 0.00 0.00 175.22 175.15 2jqj s GLN 91 N -4.82 2.62 0.05 0.44 -2.07 -1.26 -1.57 119.66 113.05 2jqj s GLN 91 Ca 0.62 -0.63 0.01 0.00 -1.82 0.00 0.00 55.36 53.54 2jqj s GLN 91 Cb -0.18 -2.50 -0.04 0.00 -1.09 0.00 0.00 33.01 29.21 2jqj s GLN 91 CO 0.55 0.64 0.10 0.50 -1.32 0.00 0.00 175.29 175.76 2jqj s ARG 92 N -0.87 3.05 -0.21 9.60 6.06 0.44 -4.74 118.95 132.28 2jqj s ARG 92 Ca 0.13 -0.57 -0.03 0.00 -2.50 0.00 0.00 55.73 52.76 2jqj s ARG 92 Cb -0.11 -2.83 -0.00 0.00 0.06 0.00 0.00 34.95 32.07 2jqj s ARG 92 CO 0.02 0.60 -0.08 -0.80 -2.50 0.00 0.00 175.30 172.54 2jqj s ASN 93 N -2.19 4.00 -0.19 -2.12 0.02 -1.26 -2.41 114.94 110.78 2jqj s ASN 93 Ca 0.28 -0.46 -0.07 0.00 -1.02 0.00 0.00 52.86 51.60 2jqj s ASN 93 Cb -0.12 -1.67 -0.04 0.00 0.02 0.00 0.00 41.25 39.44 2jqj s ASN 93 CO 0.20 -0.01 0.04 -0.76 0.02 0.00 0.00 177.10 176.59 2jqj s LEU 94 N 1.43 3.61 -0.04 0.60 2.01 -1.14 -4.87 118.68 120.28 2jqj s LEU 94 Ca 0.06 -0.03 0.03 0.00 0.01 0.00 0.00 54.13 54.20 2jqj s LEU 94 Cb -0.14 -1.92 -0.03 0.00 0.01 0.00 0.00 46.19 44.11 2jqj s LEU 94 CO -0.06 0.12 -0.12 -0.63 1.01 0.00 0.00 176.35 176.67 2jqj s ILE 95 N 0.67 3.25 0.02 -0.59 -1.09 -1.14 -2.98 121.20 119.35 2jqj s ILE 95 Ca 0.02 -0.73 0.06 0.00 -2.23 0.00 0.00 60.65 57.78 2jqj s ILE 95 Cb -0.13 -2.32 -0.03 0.00 -1.58 0.00 0.00 42.46 38.40 2jqj s ILE 95 CO 0.02 0.54 -0.17 0.21 -1.23 0.00 0.00 174.94 174.30 2jqj s ASN 96 N -0.92 3.83 -0.10 3.58 2.47 -0.85 0.71 114.94 123.66 2jqj s ASN 96 Ca 0.13 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 53.03 2jqj s ASN 96 Cb -0.11 -0.65 -0.02 0.00 -1.45 0.00 0.00 41.25 39.02 2jqj s ASN 96 CO 0.02 0.27 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.88 2jqj s VAL 97 N -0.88 3.36 -0.06 -5.21 1.01 0.49 -2.43 120.40 116.68 2jqj s VAL 97 Ca 0.14 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2jqj s VAL 97 Cb -0.11 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2jqj s VAL 97 CO 0.04 0.55 -0.10 -0.63 0.00 0.00 0.00 175.10 174.96 2jqj s ILE 98 N -0.13 1.00 -0.23 2.22 1.01 -0.78 -2.68 121.20 121.60 2jqj s ILE 98 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 2jqj s ILE 98 Cb -0.13 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 2jqj s ILE 98 CO 0.03 0.33 0.24 -0.62 0.00 0.00 0.00 174.94 174.91 2jqj s ASP 99 N 0.72 6.22 -0.04 3.58 2.15 -1.26 -2.92 116.67 125.12 2jqj s ASP 99 Ca -0.14 0.24 0.17 0.00 0.43 0.00 0.00 52.55 53.25 2jqj s ASP 99 Cb -0.15 -2.15 0.30 0.00 -0.30 0.00 0.00 42.92 40.62 2jqj s ASP 99 CO 0.03 0.02 1.13 0.29 -0.17 0.00 0.00 175.17 176.47 2jqj n LYS 100 N 4.36 0.22 -3.46 4.34 4.76 -0.95 -5.01 118.16 122.42 2jqj n LYS 100 Ca -0.13 -1.77 -0.21 0.00 -2.87 0.00 0.00 58.31 53.34 2jqj n LYS 100 Cb 0.52 0.04 -0.01 0.00 -1.84 0.00 0.00 35.03 33.74 2jqj n LYS 100 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jqj s SER 101 N -1.79 5.11 -0.10 4.39 0.01 -0.97 -4.41 113.70 115.94 2jqj s SER 101 Ca 0.21 -0.75 0.07 0.00 1.31 0.00 0.00 55.95 56.79 2jqj s SER 101 Cb 0.26 -0.40 -0.11 0.00 0.21 0.00 0.00 66.02 65.98 2jqj s SER 101 CO -0.10 -0.78 0.01 0.54 0.41 0.00 0.00 173.24 173.32 2jqj n ARG 102 N -1.68 2.09 0.00 12.44 1.74 -1.26 -4.80 116.66 125.18 2jqj n ARG 102 Ca 0.05 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2jqj n ARG 102 Cb 0.62 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2jqj n ARG 102 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jqj n ASN 103 N -2.44 0.00 0.00 0.55 3.02 -1.26 -5.02 115.26 110.11 2jqj n ASN 103 Ca -0.17 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 2jqj n ASN 103 Cb 0.81 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 2jqj n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqj n GLY 104 N 0.53 1.55 2.88 7.41 0.00 -1.26 -5.03 105.19 111.26 2jqj n GLY 104 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.54 0.79 -0.09 2.61 2.01 -1.26 0.10 115.64 119.26 2jqj s THR 105 Ca 0.00 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.87 2jqj s THR 105 Cb 0.00 -0.83 -0.00 0.00 0.01 0.00 0.00 72.50 71.68 2jqj s THR 105 CO 0.00 0.31 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.65 2jqj s PHE 106 N 1.50 2.49 -0.04 4.92 0.40 -0.37 -4.42 117.98 122.47 2jqj s PHE 106 Ca -0.00 -0.97 0.06 0.00 -0.60 0.00 0.00 56.93 55.41 2jqj s PHE 106 Cb -0.13 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 2jqj s PHE 106 CO -0.04 -0.38 -0.22 -1.50 0.70 0.00 0.00 175.22 173.78 2jqj s ILE 107 N 0.27 1.74 -1.60 0.64 1.10 -0.87 -0.05 121.20 122.44 2jqj s ILE 107 Ca -0.16 -0.91 0.00 0.00 -0.51 0.00 0.00 60.65 59.06 2jqj s ILE 107 Cb -0.17 -1.47 0.00 0.00 0.15 0.00 0.00 42.46 40.97 2jqj s ILE 107 CO 0.08 0.49 0.00 0.59 -2.11 0.00 0.00 174.94 173.99 2jqj n ASN 108 N 2.82 -5.27 0.00 4.50 5.03 0.32 -1.46 115.26 121.20 2jqj n ASN 108 Ca -0.17 0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.32 2jqj n ASN 108 Cb 0.52 -4.34 0.00 0.00 -1.02 0.00 0.00 39.78 34.95 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 -0.99 0.41 3.04 7.41 0.00 -1.26 -4.96 105.19 108.85 2jqj n GLY 109 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.24 0.99 0.08 1.61 0.01 -0.54 -5.12 114.94 109.73 2jqj s ASN 110 Ca 0.00 -0.32 -0.31 0.00 -0.71 0.00 0.00 52.86 51.52 2jqj s ASN 110 Cb 0.00 -0.05 -0.07 0.00 0.41 0.00 0.00 41.25 41.54 2jqj s ASN 110 CO 0.00 -0.02 1.36 -0.60 -1.51 0.00 0.00 177.10 176.33 2jqj s ARG 111 N -0.80 4.33 0.25 -0.60 3.52 -1.26 -2.05 118.95 122.34 2jqj s ARG 111 Ca -0.01 2.00 -0.30 0.00 -0.13 0.00 0.00 55.73 57.29 2jqj s ARG 111 Cb -0.06 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 29.90 2jqj s ARG 111 CO 0.00 -0.44 1.05 -0.48 -0.81 0.00 0.00 175.30 174.63 2jqj s LEU 112 N 1.38 4.57 -0.09 -0.88 2.34 -1.26 -4.95 118.68 119.78 2jqj s LEU 112 Ca 0.63 2.14 0.04 0.00 0.06 0.00 0.00 54.13 57.01 2jqj s LEU 112 Cb -0.34 -3.62 -0.09 0.00 -0.56 0.00 0.00 46.19 41.58 2jqj s LEU 112 CO 0.29 -0.07 -0.03 1.33 -1.06 0.00 0.00 176.35 176.81 2jqj n VAL 113 N 1.50 0.59 -3.74 1.48 0.24 -1.26 -5.04 118.33 112.10 2jqj n VAL 113 Ca -0.01 -0.30 -0.21 0.00 -2.04 0.00 0.00 64.34 61.79 2jqj n VAL 113 Cb 0.46 -0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 31.97 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 -2.21 2.71 0.54 7.34 2.20 -1.26 -5.14 119.74 123.92 2jqj s LYS 114 Ca -0.09 -1.33 0.03 0.00 -0.36 0.00 0.00 55.97 54.23 2jqj s LYS 114 Cb 0.03 -2.48 0.04 0.00 -1.51 0.00 0.00 37.83 33.92 2jqj s LYS 114 CO 0.30 0.04 0.74 0.21 -0.36 0.00 0.00 175.35 176.28 2jqj s LYS 115 N -4.03 2.51 -0.96 4.03 2.20 -1.26 -4.65 119.74 117.58 2jqj s LYS 115 Ca 0.43 -1.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.00 2jqj s LYS 115 Cb -0.06 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 2jqj s LYS 115 CO 0.27 -0.69 0.82 -3.47 -0.36 0.00 0.00 175.35 171.93 2jqj n ASP 116 N -2.26 -4.53 -4.74 1.43 2.03 -1.26 -4.97 116.55 102.25 2jqj n ASP 116 Ca 0.09 -0.59 -0.41 0.00 0.52 0.00 0.00 54.79 54.41 2jqj n ASP 116 Cb 0.60 -4.56 -0.05 0.00 -0.72 0.00 0.00 41.12 36.38 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 -3.33 3.85 -0.28 -0.67 6.14 -1.09 -4.89 117.35 117.07 2jqj s TYR 117 Ca 0.25 1.82 -0.12 0.00 0.64 0.00 0.00 57.07 59.66 2jqj s TYR 117 Cb -0.03 -3.07 -0.04 0.00 0.42 0.00 0.00 41.96 39.24 2jqj s TYR 117 CO 0.64 0.16 0.25 -1.50 0.64 0.00 0.00 175.55 175.74 2jqj s ILE 118 N -0.65 5.26 -0.16 3.14 1.10 -1.26 -0.38 121.20 128.25 2jqj s ILE 118 Ca 0.44 0.26 -0.07 0.00 -0.51 0.00 0.00 60.65 60.78 2jqj s ILE 118 Cb -0.26 -3.60 -0.04 0.00 0.15 0.00 0.00 42.46 38.71 2jqj s ILE 118 CO 0.32 0.20 0.07 -0.22 -2.11 0.00 0.00 174.94 173.20 2jqj s LEU 119 N 1.86 3.91 0.52 8.50 0.20 0.22 -4.96 118.68 128.93 2jqj s LEU 119 Ca 0.09 0.16 0.04 0.00 0.69 0.00 0.00 54.13 55.11 2jqj s LEU 119 Cb -0.16 -1.97 0.01 0.00 -0.43 0.00 0.00 46.19 43.64 2jqj s LEU 119 CO 0.11 0.23 0.21 -0.54 -0.29 0.00 0.00 176.35 176.07 2jqj s LYS 120 N 0.01 2.23 0.29 1.98 1.02 -1.26 -2.90 119.74 121.10 2jqj s LYS 120 Ca 0.06 -2.19 -0.30 0.00 0.02 0.00 0.00 55.97 53.57 2jqj s LYS 120 Cb -0.12 -1.84 -0.13 0.00 -0.52 0.00 0.00 37.83 35.23 2jqj s LYS 120 CO 0.01 -0.48 1.41 0.27 -0.92 0.00 0.00 175.35 175.64 2jqj n ASN 121 N -1.51 3.02 -2.30 2.83 6.94 -1.26 -3.03 115.26 119.95 2jqj n ASN 121 Ca -0.10 1.17 -0.09 0.00 -0.02 0.00 0.00 54.58 55.54 2jqj n ASN 121 Cb 0.66 -1.49 0.05 0.00 -2.36 0.00 0.00 39.78 36.63 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jqj n GLY 122 N 1.65 -0.01 3.43 4.83 0.00 -1.02 -5.03 105.19 109.04 2jqj n GLY 122 Ca 0.08 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.65 4.39 -0.18 1.61 1.11 -1.16 -4.99 116.67 113.80 2jqj s ASP 123 Ca 0.03 -0.24 -0.22 0.00 0.18 0.00 0.00 52.55 52.31 2jqj s ASP 123 Cb -0.00 -1.70 -0.02 0.00 1.07 0.00 0.00 42.92 42.27 2jqj s ASP 123 CO 0.38 0.16 0.67 -0.60 1.18 0.00 0.00 175.17 176.96 2jqj s ARG 124 N 0.40 4.24 -0.08 8.23 3.52 -1.26 -2.60 118.95 131.39 2jqj s ARG 124 Ca -0.07 0.70 0.04 0.00 -0.13 0.00 0.00 55.73 56.26 2jqj s ARG 124 Cb -0.15 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2jqj s ARG 124 CO 0.04 -0.23 -0.20 0.42 -0.81 0.00 0.00 175.30 174.52 2jqj s ILE 125 N 1.87 1.74 -0.06 4.11 1.09 -0.83 0.12 121.20 129.23 2jqj s ILE 125 Ca 0.31 -0.83 0.05 0.00 -1.10 0.00 0.00 60.65 59.07 2jqj s ILE 125 Cb -0.16 -1.52 -0.00 0.00 -1.06 0.00 0.00 42.46 39.72 2jqj s ILE 125 CO 0.11 0.49 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.55 2jqj s VAL 126 N 0.41 1.63 -0.05 2.92 1.01 0.93 -1.67 120.40 125.60 2jqj s VAL 126 Ca -0.16 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.04 2jqj s VAL 126 Cb -0.17 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 2jqj s VAL 126 CO 0.07 0.46 -0.17 -0.36 0.00 0.00 0.00 175.10 175.10 2jqj s PHE 127 N 0.09 2.61 0.00 5.22 0.08 0.99 -1.23 117.98 125.74 2jqj s PHE 127 Ca -0.07 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.71 2jqj s PHE 127 Cb -0.13 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 2jqj s PHE 127 CO 0.04 0.10 0.00 0.41 -0.10 0.00 0.00 175.22 175.66 2jqj n GLY 128 N 2.42 0.95 0.00 4.36 0.00 0.29 -2.69 105.19 110.52 2jqj n GLY 128 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.00 -0.13 1.61 5.02 -1.26 -4.18 118.16 119.21 2jqj n LYS 129 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 2jqj n LYS 129 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jqj n SER 130 N 0.00 1.97 -4.51 4.39 3.41 -1.23 -4.90 113.62 112.75 2jqj n SER 130 Ca 0.00 0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.22 2jqj n SER 130 Cb 0.00 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.32 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 9.56 2.46 0.04 0.00 1.04 -1.26 -0.01 113.70 125.54 2jqj s SER 132 Ca 1.09 -0.44 -0.03 0.00 0.48 0.00 0.00 55.95 57.05 2jqj s SER 132 Cb -0.63 -1.12 -0.02 0.00 0.10 0.00 0.00 66.02 64.35 2jqj s SER 132 CO 0.39 0.06 0.04 0.72 0.98 0.00 0.00 173.24 175.43 2jqj s PHE 133 N 0.73 0.31 -0.20 5.02 -0.71 -0.67 0.69 117.98 123.16 2jqj s PHE 133 Ca -0.12 -0.71 -0.01 0.00 -1.04 0.00 0.00 56.93 55.05 2jqj s PHE 133 Cb -0.16 -0.23 0.01 0.00 -1.21 0.00 0.00 43.02 41.43 2jqj s PHE 133 CO 0.02 -0.36 -0.13 -1.17 -1.34 0.00 0.00 175.22 172.25 2jqj s LEU 134 N -2.35 2.48 -0.05 -1.99 1.98 0.15 -1.97 118.68 116.93 2jqj s LEU 134 Ca -0.02 -0.53 -0.08 0.00 -2.89 0.00 0.00 54.13 50.61 2jqj s LEU 134 Cb 0.01 -1.60 -0.05 0.00 0.66 0.00 0.00 46.19 45.22 2jqj s LEU 134 CO -0.06 -0.00 0.23 0.12 -1.89 0.00 0.00 176.35 174.75 2jqj s PHE 135 N 1.35 3.62 -0.08 5.38 2.19 -1.07 -1.90 117.98 127.46 2jqj s PHE 135 Ca 0.05 0.63 -0.21 0.00 0.33 0.00 0.00 56.93 57.72 2jqj s PHE 135 Cb -0.14 -2.02 0.05 0.00 -1.31 0.00 0.00 43.02 39.60 2jqj s PHE 135 CO -0.08 0.68 0.49 0.15 1.83 0.00 0.00 175.22 178.29 2jqj s LYS 136 N -1.30 0.78 0.26 10.12 1.02 -1.16 -2.42 119.74 127.04 2jqj s LYS 136 Ca 0.21 0.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.12 2jqj s LYS 136 Cb -0.13 0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 37.45 2jqj s LYS 136 CO 0.10 -0.20 1.04 0.71 -0.92 0.00 0.00 175.35 176.08 2jqj s TYR 137 N -0.82 3.74 -0.25 3.18 2.02 -1.26 -2.67 117.35 121.30 2jqj s TYR 137 Ca -0.09 1.79 0.10 0.00 -0.37 0.00 0.00 57.07 58.50 2jqj s TYR 137 Cb -0.03 -3.16 0.45 0.00 -0.40 0.00 0.00 41.96 38.82 2jqj s TYR 137 CO 0.05 -0.15 1.31 0.00 -1.57 0.00 0.00 175.55 175.19 2jqj n ALA 138 N 1.31 4.01 -0.05 3.71 0.00 0.36 -4.65 120.51 125.19 2jqj n ALA 138 Ca -0.01 -3.30 -0.08 0.00 0.00 0.00 0.00 53.44 50.05 2jqj n ALA 138 Cb 0.46 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 2jqj n ALA 138 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jqj n SER 139 N -1.09 2.21 -4.27 0.00 7.64 -0.95 -4.73 113.62 112.43 2jqj n SER 139 Ca 0.26 0.02 -0.32 0.00 1.01 0.00 0.00 58.87 59.84 2jqj n SER 139 Cb 0.82 -0.20 -0.16 0.00 -1.01 0.00 0.00 64.21 63.66 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 -5.27 3.41 0.48 6.43 0.15 -1.26 -5.05 113.70 112.58 2jqj s SER 140 Ca -0.13 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.02 2jqj s SER 140 Cb 0.04 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.86 2jqj s SER 140 CO 0.19 0.16 0.75 -0.94 1.20 0.00 0.00 173.24 174.60 2jqj s SER 141 N 0.36 5.92 -0.51 5.45 1.04 -1.26 -4.95 113.70 119.75 2jqj s SER 141 Ca -0.16 0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.91 2jqj s SER 141 Cb -0.17 -1.80 0.19 0.00 0.10 0.00 0.00 66.02 64.34 2jqj s SER 141 CO 0.08 -0.73 0.75 -0.24 0.98 0.00 0.00 173.24 174.08 2jqj n SER 142 N -2.23 -3.38 -4.23 7.02 2.88 -1.26 -5.09 113.62 107.34 2jqj n SER 142 Ca 0.01 -2.87 -0.42 0.00 -1.33 0.00 0.00 58.87 54.26 2jqj n SER 142 Cb 0.57 1.73 -0.05 0.00 -0.75 0.00 0.00 64.21 65.71 2jqj n SER 142 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2jqj s THR 143 N 0.87 4.86 -0.49 2.46 2.01 -1.26 -4.92 115.64 119.17 2jqj s THR 143 Ca 0.30 -2.89 0.08 0.00 0.31 0.00 0.00 61.69 59.49 2jqj s THR 143 Cb 0.01 -4.04 0.27 0.00 0.01 0.00 0.00 72.50 68.76 2jqj s THR 143 CO -0.06 -1.00 0.67 0.47 -0.69 0.00 0.00 174.62 174.01 2jqj n ASP 144 N 3.50 1.93 -1.47 3.53 9.92 -1.26 -4.87 116.55 127.82 2jqj n ASP 144 Ca 0.14 -3.09 -0.03 0.00 -0.53 0.00 0.00 54.79 51.28 2jqj n ASP 144 Cb 0.42 -0.64 0.26 0.00 -0.64 0.00 0.00 41.12 40.52 2jqj n ASP 144 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2jqj n ILE 145 N 0.88 2.67 -3.58 0.53 5.41 -1.26 -4.95 119.36 119.06 2jqj n ILE 145 Ca 0.26 -2.03 -0.36 0.00 1.00 0.00 0.00 62.75 61.61 2jqj n ILE 145 Cb 0.49 -0.33 -0.08 0.00 -0.71 0.00 0.00 39.64 39.02 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 -3.04 4.18 -0.28 0.38 2.02 -1.26 -4.98 118.70 115.72 2jqj s GLU 146 Ca 0.49 -0.05 0.09 0.00 0.02 0.00 0.00 54.97 55.52 2jqj s GLU 146 Cb 0.41 -3.48 0.47 0.00 0.10 0.00 0.00 34.13 31.62 2jqj s GLU 146 CO 0.08 0.15 1.35 0.09 0.02 0.00 0.00 175.26 176.95 2jqj n ASN 147 N 3.94 2.85 -4.85 -0.19 4.13 -1.26 -5.03 115.26 114.84 2jqj n ASN 147 Ca -0.13 -3.83 -0.33 0.00 1.68 0.00 0.00 54.58 51.97 2jqj n ASN 147 Cb 0.52 -0.56 -0.06 0.00 -1.54 0.00 0.00 39.78 38.14 2jqj n ASN 147 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jqj s ASP 148 N -2.96 6.76 0.02 6.41 -1.08 -1.26 -5.09 116.67 119.46 2jqj s ASP 148 Ca 0.44 1.09 0.03 0.00 -0.52 0.00 0.00 52.55 53.60 2jqj s ASP 148 Cb 0.40 -2.30 -0.01 0.00 -1.46 0.00 0.00 42.92 39.55 2jqj s ASP 148 CO -0.02 -0.04 -0.11 -1.81 0.52 0.00 0.00 175.17 173.71 2jqj s ASP 149 N -2.08 1.25 0.43 -0.34 1.11 -1.26 -5.16 116.67 110.62 2jqj s ASP 149 Ca 0.45 -0.32 0.07 0.00 0.18 0.00 0.00 52.55 52.93 2jqj s ASP 149 Cb -0.13 -0.09 -0.04 0.00 1.07 0.00 0.00 42.92 43.73 2jqj s ASP 149 CO 0.20 0.04 0.21 -1.61 1.18 0.00 0.00 175.17 175.19 2jqj s GLU 150 N -0.74 2.26 -0.18 8.23 2.02 -1.26 -4.88 118.70 124.14 2jqj s GLU 150 Ca 0.01 -1.85 -0.13 0.00 0.02 0.00 0.00 54.97 53.03 2jqj s GLU 150 Cb -0.06 -2.01 0.05 0.00 0.10 0.00 0.00 34.13 32.21 2jqj s GLU 150 CO 0.00 -0.17 0.25 1.63 0.02 0.00 0.00 175.26 177.00 2jqj n LYS 151 N -1.31 -4.62 -2.38 1.61 5.02 -1.26 -4.82 118.16 110.39 2jqj n LYS 151 Ca -0.01 3.47 -0.04 0.00 -2.02 0.00 0.00 58.31 59.71 2jqj n LYS 151 Cb 0.64 -5.06 -0.03 0.00 -0.02 0.00 0.00 35.03 30.56 2jqj n LYS 151 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jqj n VAL 152 N 1.70-11.78 -2.47 -0.18 0.31 -1.26 -5.01 118.33 99.65 2jqj n VAL 152 Ca -0.43 2.53 -0.28 0.00 -0.01 0.00 0.00 64.34 66.15 2jqj n VAL 152 Cb 0.66 -6.07 0.00 0.00 -0.91 0.00 0.00 33.84 27.52 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 -0.56 6.21 -0.40 4.52 1.04 -1.26 -5.07 113.70 118.18 2jqj s SER 153 Ca -0.20 1.01 0.02 0.00 0.48 0.00 0.00 55.95 57.26 2jqj s SER 153 Cb 0.01 -2.25 0.12 0.00 0.10 0.00 0.00 66.02 64.00 2jqj s SER 153 CO 0.54 -0.67 0.18 -0.44 0.98 0.00 0.00 173.24 173.82 2jqj s SER 154 N -4.14 3.95 -0.84 7.02 0.01 -1.26 -5.07 113.70 113.38 2jqj s SER 154 Ca 0.49 -2.32 -0.21 0.00 1.31 0.00 0.00 55.95 55.23 2jqj s SER 154 Cb -0.10 -1.11 0.10 0.00 0.21 0.00 0.00 66.02 65.12 2jqj s SER 154 CO 0.47 -0.32 1.10 -0.70 0.41 0.00 0.00 173.24 174.20 2jqj s GLU 155 N 0.73 3.42 -0.69 12.44 2.12 -1.26 -4.94 118.70 130.53 2jqj s GLU 155 Ca 0.14 -1.34 0.04 0.00 0.36 0.00 0.00 54.97 54.17 2jqj s GLU 155 Cb -0.22 -4.71 0.17 0.00 0.26 0.00 0.00 34.13 29.63 2jqj s GLU 155 CO -0.08 -1.84 0.48 0.45 -0.54 0.00 0.00 175.26 173.73 2jqj s SER 156 N 3.80 4.86 0.12 -1.70 0.15 -1.26 -5.07 113.70 114.59 2jqj s SER 156 Ca 0.30 -3.65 0.09 0.00 0.70 0.00 0.00 55.95 53.39 2jqj s SER 156 Cb -0.09 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 2jqj s SER 156 CO -0.02 -0.13 -0.20 0.00 1.20 0.00 0.00 173.24 174.09 2jqj s ARG 157 N -1.19 1.73 -0.10 5.44 1.70 -1.26 -5.03 118.95 120.24 2jqj s ARG 157 Ca 0.23 -1.20 0.10 0.00 -0.47 0.00 0.00 55.73 54.39 2jqj s ARG 157 Cb -0.09 -2.08 -0.14 0.00 -0.57 0.00 0.00 34.95 32.07 2jqj s ARG 157 CO -0.13 0.48 0.06 -1.13 -1.08 0.00 0.00 175.30 173.50 2jqj n SER 158 N 0.86 2.35 0.00 -2.89 3.41 -1.26 -5.34 113.62 110.75 2jqj n SER 158 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2jqj n SER 158 Cb 0.53 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 2jqj n SER 158 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66