#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqj h ARG 20 N 0.00 0.09 -5.57 1.97 0.11 -2.10 -3.45 114.38 105.43 2jqj h ARG 20 Ca 0.00 -0.16 -0.60 0.00 0.10 0.00 0.00 59.98 59.33 2jqj h ARG 20 Cb 0.00 0.06 -0.10 0.00 1.11 0.00 0.00 29.97 31.04 2jqj h ARG 20 CO 0.00 0.81 -0.03 -1.14 0.10 0.00 0.00 179.97 179.71 2jqj s GLN 21 N -2.62 4.20 0.36 0.08 0.74 -1.26 -5.07 119.66 116.10 2jqj s GLN 21 Ca -0.07 0.44 0.09 0.00 0.05 0.00 0.00 55.36 55.87 2jqj s GLN 21 Cb 0.08 -3.55 -0.06 0.00 1.10 0.00 0.00 33.01 30.58 2jqj s GLN 21 CO 0.82 -0.13 0.03 -1.14 -0.55 0.00 0.00 175.29 174.32 2jqj s GLN 22 N 1.58 2.08 0.63 1.67 0.74 -1.26 -5.14 119.66 119.95 2jqj s GLN 22 Ca 0.25 -1.81 -0.07 0.00 0.05 0.00 0.00 55.36 53.77 2jqj s GLN 22 Cb -0.15 -1.90 0.01 0.00 1.10 0.00 0.00 33.01 32.07 2jqj s GLN 22 CO 0.10 0.07 0.96 0.50 -0.55 0.00 0.00 175.29 176.37 2jqj s ARG 23 N -3.74 2.88 0.49 1.67 3.52 -1.26 -4.94 118.95 117.57 2jqj s ARG 23 Ca 0.36 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 2jqj s ARG 23 Cb 0.02 -2.20 0.00 0.00 -1.56 0.00 0.00 34.95 31.21 2jqj s ARG 23 CO 0.20 -0.81 0.00 0.43 -0.81 0.00 0.00 175.30 174.30 2jqj n SER 24 N -2.71 -8.41 -4.78 -2.12 7.64 -1.26 -4.77 113.62 97.22 2jqj n SER 24 Ca 0.05 1.43 -0.38 0.00 1.01 0.00 0.00 58.87 60.98 2jqj n SER 24 Cb 0.58 -4.00 -0.06 0.00 -1.01 0.00 0.00 64.21 59.71 2jqj n SER 24 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2jqj s ASN 25 N -6.91 7.39 0.10 6.43 -0.87 -1.26 -5.07 114.94 114.75 2jqj s ASN 25 Ca 0.00 1.84 0.08 0.00 -1.57 0.00 0.00 52.86 53.22 2jqj s ASN 25 Cb 0.00 -2.58 -0.04 0.00 -0.02 0.00 0.00 41.25 38.61 2jqj s ASN 25 CO 0.00 -0.02 -0.17 -0.54 -2.57 0.00 0.00 177.10 173.80 2jqj s LYS 26 N -1.88 1.88 0.41 -0.60 1.02 -1.26 -5.12 119.74 114.19 2jqj s LYS 26 Ca 0.48 -1.12 -0.25 0.00 0.02 0.00 0.00 55.97 55.11 2jqj s LYS 26 Cb -0.20 -2.15 -0.08 0.00 -0.52 0.00 0.00 37.83 34.88 2jqj s LYS 26 CO 0.25 0.50 1.19 -1.25 -0.92 0.00 0.00 175.35 175.11 2jqj s PRO 27 N -1.97 4.00 0.03 -1.68 0.04 -1.26 -4.97 135.00 129.19 2jqj s PRO 27 Ca 0.17 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2jqj s PRO 27 Cb -0.11 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2jqj s PRO 27 CO 0.09 -0.37 0.00 -1.13 0.04 0.00 0.00 177.00 175.63 2jqj n SER 28 N 0.01 0.28 -0.08 6.66 3.41 -1.26 -4.89 113.62 117.74 2jqj n SER 28 Ca 0.05 0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.61 2jqj n SER 28 Cb 0.46 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.23 2jqj n SER 28 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jqj n SER 29 N -3.11 1.75 -4.72 4.04 7.64 -1.26 -4.95 113.62 113.00 2jqj n SER 29 Ca 0.00 -0.03 -0.39 0.00 1.01 0.00 0.00 58.87 59.46 2jqj n SER 29 Cb 0.34 0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 63.99 2jqj n SER 29 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jqj s GLU 30 N -2.36 4.39 0.00 1.43 2.56 -1.26 -5.05 118.70 118.41 2jqj s GLU 30 Ca -0.13 0.66 0.00 0.00 0.00 0.00 0.00 54.97 55.51 2jqj s GLU 30 Cb 0.05 -3.44 0.00 0.00 2.00 0.00 0.00 34.13 32.74 2jqj s GLU 30 CO 0.55 0.11 0.00 0.66 -0.56 0.00 0.00 175.26 176.02 2jqj n TYR 31 N 3.72 0.00 -3.76 5.30 4.02 -1.26 -4.72 117.16 120.46 2jqj n TYR 31 Ca -0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.70 2jqj n TYR 31 Cb 0.51 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.68 2jqj n TYR 31 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jqj s THR 32 N 0.00 -0.07 0.18 -0.72 2.01 -1.26 -4.83 115.64 110.95 2jqj s THR 32 Ca 0.00 0.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 2jqj s THR 32 Cb 0.00 -0.11 -0.10 0.00 0.01 0.00 0.00 72.50 72.30 2jqj s THR 32 CO 0.00 0.10 1.55 0.00 -0.69 0.00 0.00 174.62 175.58 2jqj n LEU 34 N 3.73 0.17 0.00 0.00 -0.00 -1.11 -4.99 117.00 114.81 2jqj n LEU 34 Ca 0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.95 2jqj n LEU 34 Cb 0.39 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.74 2jqj n LEU 34 CO 0.61 -0.25 -0.10 0.61 -0.00 0.00 0.00 177.39 178.26 2jqj n GLY 35 N 1.82 3.05 3.26 -3.96 0.00 -1.13 -0.87 105.19 107.36 2jqj n GLY 35 Ca 0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.20 0.27 -0.13 1.61 3.76 -1.07 -0.03 115.29 116.51 2jqj s HIS 36 Ca 0.34 -0.68 -0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2jqj s HIS 36 Cb 0.02 -0.07 0.02 0.00 1.11 0.00 0.00 32.58 33.66 2jqj s HIS 36 CO 0.24 -0.62 -0.11 -0.51 -0.85 0.00 0.00 174.74 172.90 2jqj s LEU 37 N -2.91 1.45 -0.24 0.89 1.02 0.22 -2.88 118.68 116.23 2jqj s LEU 37 Ca 0.11 -0.41 -0.13 0.00 0.02 0.00 0.00 54.13 53.71 2jqj s LEU 37 Cb 0.04 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.20 2jqj s LEU 37 CO -0.06 -0.09 0.28 -0.69 0.02 0.00 0.00 176.35 175.80 2jqj s VAL 38 N 1.60 5.26 -0.15 -1.59 1.01 -0.47 -0.63 120.40 125.43 2jqj s VAL 38 Ca 0.05 0.41 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 2jqj s VAL 38 Cb -0.13 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2jqj s VAL 38 CO -0.09 0.26 0.58 0.20 0.00 0.00 0.00 175.10 176.04 2jqj s ASN 39 N 1.32 6.71 -0.50 3.32 -0.87 0.17 0.53 114.94 125.61 2jqj s ASN 39 Ca 0.12 0.85 -0.21 0.00 -1.57 0.00 0.00 52.86 52.05 2jqj s ASN 39 Cb -0.15 -2.33 0.04 0.00 -0.02 0.00 0.00 41.25 38.79 2jqj s ASN 39 CO 0.08 -0.15 0.75 -0.76 -2.57 0.00 0.00 177.10 174.44 2jqj s LEU 40 N 1.32 4.53 -0.01 0.60 1.43 0.12 -2.95 118.68 123.72 2jqj s LEU 40 Ca 0.28 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2jqj s LEU 40 Cb -0.16 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 2jqj s LEU 40 CO 0.11 -0.99 -0.21 -0.63 0.23 0.00 0.00 176.35 174.87 2jqj s ILE 41 N 3.16 1.64 -1.01 -0.59 1.01 -1.10 -4.64 121.20 119.68 2jqj s ILE 41 Ca 0.23 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 2jqj s ILE 41 Cb -0.15 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2jqj s ILE 41 CO 0.17 0.43 1.77 -2.16 0.00 0.00 0.00 174.94 175.15 2jqj s PRO 42 N -0.58 2.99 0.00 2.79 0.04 -1.26 -2.39 135.00 136.60 2jqj s PRO 42 Ca 0.08 -0.80 0.00 0.00 0.04 0.00 0.00 61.00 60.32 2jqj s PRO 42 Cb -0.08 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2jqj s PRO 42 CO -0.00 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.46 2jqj n GLY 43 N 6.62 0.72 0.00 0.56 0.00 -1.26 -5.12 105.19 106.71 2jqj n GLY 43 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2jqj n GLY 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jqj n LYS 44 N 0.00 -1.08 -4.18 1.61 2.85 -1.00 -5.19 118.16 111.17 2jqj n LYS 44 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 2jqj n LYS 44 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 2jqj n LYS 44 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2jqj s GLU 45 N -2.00 0.88 -0.02 -1.58 -1.05 -1.26 -2.69 118.70 110.98 2jqj s GLU 45 Ca 0.00 -1.37 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 2jqj s GLU 45 Cb 0.00 -0.21 0.02 0.00 -0.44 0.00 0.00 34.13 33.50 2jqj s GLU 45 CO 0.00 -0.04 -0.00 -0.65 0.95 0.00 0.00 175.26 175.52 2jqj s GLN 46 N -3.85 0.16 -0.15 -4.83 1.11 -1.15 -4.97 119.66 105.98 2jqj s GLN 46 Ca 0.14 0.04 -0.01 0.00 0.01 0.00 0.00 55.36 55.54 2jqj s GLN 46 Cb 0.05 -0.29 -0.01 0.00 -1.01 0.00 0.00 33.01 31.75 2jqj s GLN 46 CO -0.03 -0.07 -0.10 0.21 0.01 0.00 0.00 175.29 175.31 2jqj s LYS 47 N 0.59 3.42 -0.10 2.91 2.20 -1.26 0.41 119.74 127.91 2jqj s LYS 47 Ca -0.05 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 54.94 2jqj s LYS 47 Cb -0.08 -2.75 -0.00 0.00 -1.51 0.00 0.00 37.83 33.49 2jqj s LYS 47 CO -0.01 0.12 -0.23 0.08 -0.36 0.00 0.00 175.35 174.95 2jqj s VAL 48 N 0.60 2.15 0.13 4.02 1.01 0.20 -4.92 120.40 123.59 2jqj s VAL 48 Ca -0.06 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.64 2jqj s VAL 48 Cb -0.15 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 2jqj s VAL 48 CO 0.03 0.56 0.89 -1.83 0.00 0.00 0.00 175.10 174.75 2jqj s GLU 49 N 0.26 4.67 -0.10 2.72 1.03 -1.26 0.73 118.70 126.75 2jqj s GLU 49 Ca -0.16 1.34 0.02 0.00 0.03 0.00 0.00 54.97 56.20 2jqj s GLU 49 Cb -0.17 -3.34 -0.01 0.00 -0.80 0.00 0.00 34.13 29.81 2jqj s GLU 49 CO 0.08 0.35 -0.17 -1.50 -1.33 0.00 0.00 175.26 172.69 2jqj s ILE 50 N -0.45 2.73 0.44 1.83 2.07 0.96 -4.93 121.20 123.86 2jqj s ILE 50 Ca 0.42 -0.79 0.05 0.00 -1.41 0.00 0.00 60.65 58.91 2jqj s ILE 50 Cb -0.23 -2.10 0.01 0.00 0.13 0.00 0.00 42.46 40.27 2jqj s ILE 50 CO 0.28 0.55 0.62 0.42 -1.91 0.00 0.00 174.94 174.90 2jqj s THR 51 N 0.13 3.30 -1.23 4.00 -4.23 -1.26 -2.75 115.64 113.59 2jqj s THR 51 Ca -0.08 -0.83 -0.06 0.00 -1.18 0.00 0.00 61.69 59.54 2jqj s THR 51 Cb -0.15 -3.16 0.19 0.00 1.34 0.00 0.00 72.50 70.72 2jqj s THR 51 CO 0.05 -0.09 1.95 -0.46 -0.54 0.00 0.00 174.62 175.54 2jqj n ASN 52 N -1.98 6.42 -0.88 3.99 0.23 -1.20 -4.69 115.26 117.15 2jqj n ASN 52 Ca 0.05 -3.23 0.05 0.00 -0.53 0.00 0.00 54.58 50.92 2jqj n ASN 52 Cb 0.59 -1.38 0.18 0.00 -2.08 0.00 0.00 39.78 37.10 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 2.38 2.27 0.00 -3.83 1.85 -1.26 -4.89 116.66 113.18 2jqj n ARG 53 Ca 0.44 -1.48 0.00 0.00 -1.00 0.00 0.00 57.85 55.82 2jqj n ARG 53 Cb 0.31 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.22 2jqj n ARG 53 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jqj n ASN 54 N 0.53 0.00 -3.77 2.89 4.13 -0.84 -4.76 115.26 113.43 2jqj n ASN 54 Ca 0.13 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.20 2jqj n ASN 54 Cb 0.46 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.53 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jqj s VAL 55 N 0.00 0.20 -0.15 2.41 1.01 -1.26 -1.96 120.40 120.65 2jqj s VAL 55 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 2jqj s VAL 55 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2jqj s VAL 55 CO 0.00 0.20 -0.07 -0.89 0.00 0.00 0.00 175.10 174.34 2jqj s THR 56 N 1.61 3.56 -0.11 3.92 2.01 0.50 -4.90 115.64 122.22 2jqj s THR 56 Ca -0.01 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.47 2jqj s THR 56 Cb -0.13 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 2jqj s THR 56 CO -0.03 0.49 0.06 0.42 -0.69 0.00 0.00 174.62 174.88 2jqj s THR 57 N 0.49 4.85 -0.15 -0.82 -4.23 -1.26 -0.02 115.64 114.49 2jqj s THR 57 Ca -0.05 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2jqj s THR 57 Cb -0.15 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.63 2jqj s THR 57 CO 0.03 0.59 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.98 2jqj s ILE 58 N -0.78 1.36 -0.83 2.99 1.09 -0.72 0.96 121.20 125.27 2jqj s ILE 58 Ca 0.13 -0.62 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 2jqj s ILE 58 Cb -0.12 -1.38 0.00 0.00 -1.06 0.00 0.00 42.46 39.91 2jqj s ILE 58 CO 0.03 0.31 0.00 0.61 -0.10 0.00 0.00 174.94 175.79 2jqj n GLY 59 N 4.82 -0.60 0.07 6.18 0.00 -0.97 -3.02 105.19 111.66 2jqj n GLY 59 Ca -0.14 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 -6.58 1.61 2.43 -1.64 -2.79 114.38 107.41 2jqj h ARG 60 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 2jqj h ARG 60 Cb 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 29.61 2jqj h ARG 60 CO 0.00 0.82 0.95 0.45 -1.51 0.00 0.00 179.97 180.67 2jqj n SER 61 N -3.24 3.66 0.29 -3.80 2.88 -1.26 -4.86 113.62 107.30 2jqj n SER 61 Ca -0.05 1.06 0.17 0.00 -1.33 0.00 0.00 58.87 58.72 2jqj n SER 61 Cb 0.97 -1.51 0.91 0.00 -0.75 0.00 0.00 64.21 63.82 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 6.69 0.00 0.00 -1.46 3.08 -1.98 -1.66 114.38 119.04 2jqj h ARG 62 Ca -0.44 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.53 2jqj h ARG 62 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 2jqj h ARG 62 CO 0.93 0.05 -0.37 0.77 -1.07 0.00 0.00 179.97 180.27 2jqj h SER 63 N 0.00 0.00 -3.83 7.04 0.02 -1.98 -3.45 113.55 111.35 2jqj h SER 63 Ca -0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 2jqj h SER 63 Cb 0.21 0.00 0.17 0.00 0.14 0.00 0.00 62.40 62.92 2jqj h SER 63 CO 0.01 0.37 0.22 0.00 -1.14 0.00 0.00 176.83 176.30 2jqj h ASP 65 N 0.09 0.69 -3.40 0.00 1.82 -0.26 -3.40 116.42 111.96 2jqj h ASP 65 Ca -0.49 -0.08 -0.61 0.00 -0.39 0.00 0.00 57.03 55.47 2jqj h ASP 65 Cb 1.34 -0.17 -0.37 0.00 0.68 0.00 0.00 39.33 40.81 2jqj h ASP 65 CO 0.49 0.57 -0.81 -0.69 -1.61 0.00 0.00 179.24 177.19 2jqj s VAL 66 N -5.91 1.56 -0.48 2.25 1.01 0.27 -4.90 120.40 114.21 2jqj s VAL 66 Ca -0.13 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.72 2jqj s VAL 66 Cb 0.12 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.90 2jqj s VAL 66 CO 0.76 0.17 0.61 -0.51 0.00 0.00 0.00 175.10 176.14 2jqj s ILE 67 N 1.44 4.88 1.09 2.22 2.07 -1.26 -2.29 121.20 129.34 2jqj s ILE 67 Ca -0.01 -0.29 -0.18 0.00 -1.41 0.00 0.00 60.65 58.76 2jqj s ILE 67 Cb -0.16 -4.24 0.28 0.00 0.13 0.00 0.00 42.46 38.47 2jqj s ILE 67 CO -0.08 -0.70 0.80 0.18 -1.91 0.00 0.00 174.94 173.23 2jqj n LEU 68 N 6.14 0.00 -3.18 8.50 4.77 -1.05 -4.98 117.00 127.20 2jqj n LEU 68 Ca -0.05 -0.84 -0.26 0.00 -0.03 0.00 0.00 56.01 54.83 2jqj n LEU 68 Cb 0.46 -0.81 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2jqj n LEU 68 CO 0.53 -2.24 0.05 -1.54 -1.33 0.00 0.00 177.39 172.86 2jqj n SER 69 N -4.88 3.52 -4.10 -1.43 3.41 -1.26 -4.89 113.62 103.99 2jqj n SER 69 Ca 0.12 -3.45 -0.21 0.00 -0.26 0.00 0.00 58.87 55.07 2jqj n SER 69 Cb 0.48 -0.62 -0.15 0.00 -0.26 0.00 0.00 64.21 63.67 2jqj n SER 69 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2jqj s GLU 70 N -2.78 1.05 0.54 4.33 0.41 -1.26 -5.03 118.70 115.96 2jqj s GLU 70 Ca 0.43 -0.53 0.35 0.00 -0.41 0.00 0.00 54.97 54.82 2jqj s GLU 70 Cb 0.22 -1.02 1.59 0.00 -1.78 0.00 0.00 34.13 33.14 2jqj s GLU 70 CO -0.08 0.27 2.04 -1.00 -0.49 0.00 0.00 175.26 176.01 2jqj h PRO 71 N 5.64 0.00 -0.25 0.39 0.13 -2.05 -3.10 132.00 132.76 2jqj h PRO 71 Ca -0.35 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.56 2jqj h PRO 71 Cb 1.17 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.96 2jqj h PRO 71 CO 0.48 0.00 -0.95 -0.25 -0.23 0.00 0.00 178.00 177.05 2jqj n ASP 72 N -2.96 1.88 -4.71 1.44 9.92 -1.26 -5.08 116.55 115.78 2jqj n ASP 72 Ca -0.00 -2.57 -0.42 0.00 -0.53 0.00 0.00 54.79 51.27 2jqj n ASP 72 Cb 0.23 -0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 40.28 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2jqj s ILE 73 N -2.46 3.74 0.27 0.53 1.10 -1.18 -4.96 121.20 118.24 2jqj s ILE 73 Ca 0.35 1.22 -0.31 0.00 -0.51 0.00 0.00 60.65 61.40 2jqj s ILE 73 Cb 0.37 -3.78 -0.12 0.00 0.15 0.00 0.00 42.46 39.08 2jqj s ILE 73 CO -0.08 0.07 1.65 -1.20 -2.11 0.00 0.00 174.94 173.27 2jqj n SER 74 N 4.31 3.96 -0.15 4.50 7.64 -1.26 -3.79 113.62 128.83 2jqj n SER 74 Ca 0.11 1.12 -0.09 0.00 1.01 0.00 0.00 58.87 61.01 2jqj n SER 74 Cb 0.44 -1.59 -0.00 0.00 -1.01 0.00 0.00 64.21 62.05 2jqj n SER 74 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2jqj h THR 75 N 3.52 1.23 -0.67 0.44 2.02 -1.91 -2.76 112.91 114.77 2jqj h THR 75 Ca -0.46 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 65.94 2jqj h THR 75 Cb 1.21 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2jqj h THR 75 CO 0.85 0.28 0.00 0.49 0.37 0.00 0.00 175.52 177.51 2jqj n PHE 76 N -4.54 1.41 0.00 3.16 3.01 -1.26 -4.00 117.46 115.24 2jqj n PHE 76 Ca 0.00 -0.58 0.00 0.00 1.01 0.00 0.00 57.45 57.88 2jqj n PHE 76 Cb 0.20 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 1.25 0.00 -3.77 1.38 -0.00 -1.05 -4.64 115.22 108.40 2jqj n HIS 77 Ca 0.26 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.34 2jqj n HIS 77 Cb 0.84 -0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.67 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 -2.86 -0.75 -0.02 1.57 0.00 -1.17 -3.91 121.76 114.62 2jqj s ALA 78 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.67 2jqj s ALA 78 Cb 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 2jqj s ALA 78 CO 0.00 -0.75 -0.13 -1.21 0.00 0.00 0.00 175.76 173.68 2jqj s GLU 79 N -3.88 1.09 -0.09 0.00 2.02 -1.23 -1.75 118.70 114.84 2jqj s GLU 79 Ca 0.10 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.68 2jqj s GLU 79 Cb 0.00 -1.03 -0.00 0.00 0.10 0.00 0.00 34.13 33.20 2jqj s GLU 79 CO -0.04 0.25 -0.23 -0.06 0.02 0.00 0.00 175.26 175.20 2jqj s PHE 80 N -0.19 2.56 -0.33 1.61 0.08 0.97 -3.06 117.98 119.61 2jqj s PHE 80 Ca 0.03 -0.95 -0.17 0.00 0.12 0.00 0.00 56.93 55.96 2jqj s PHE 80 Cb -0.06 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2jqj s PHE 80 CO -0.00 -0.36 0.46 -1.01 -0.10 0.00 0.00 175.22 174.20 2jqj s HIS 81 N 0.24 3.20 -0.36 0.36 3.76 -1.09 0.19 115.29 121.58 2jqj s HIS 81 Ca -0.15 0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 54.84 2jqj s HIS 81 Cb -0.17 -2.81 0.04 0.00 1.11 0.00 0.00 32.58 30.75 2jqj s HIS 81 CO 0.08 -0.46 0.16 -1.17 -0.85 0.00 0.00 174.74 172.49 2jqj s LEU 82 N 2.25 4.54 -0.02 0.89 0.20 -0.83 -2.63 118.68 123.09 2jqj s LEU 82 Ca 0.16 -1.09 0.08 0.00 0.69 0.00 0.00 54.13 53.97 2jqj s LEU 82 Cb -0.16 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.64 2jqj s LEU 82 CO 0.12 -0.36 -0.26 -1.48 -0.29 0.00 0.00 176.35 174.08 2jqj s LEU 83 N 1.47 2.05 -0.13 -0.68 0.05 -1.17 -2.00 118.68 118.28 2jqj s LEU 83 Ca 0.00 -0.47 0.02 0.00 0.05 0.00 0.00 54.13 53.73 2jqj s LEU 83 Cb -0.19 -1.33 -0.00 0.00 -2.05 0.00 0.00 46.19 42.61 2jqj s LEU 83 CO 0.05 0.32 -0.18 -1.58 -0.55 0.00 0.00 176.35 174.40 2jqj s GLN 84 N -0.62 3.18 0.05 1.48 0.74 -1.26 -2.79 119.66 120.44 2jqj s GLN 84 Ca 0.10 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.74 2jqj s GLN 84 Cb -0.10 -2.49 -0.03 0.00 1.10 0.00 0.00 33.01 31.49 2jqj s GLN 84 CO -0.01 0.12 -0.08 1.41 -0.55 0.00 0.00 175.29 176.18 2jqj s MET 85 N 0.53 0.59 -0.24 1.67 1.75 -1.05 -5.02 119.30 117.53 2jqj s MET 85 Ca -0.12 -0.85 -0.07 0.00 -1.25 0.00 0.00 55.69 53.40 2jqj s MET 85 Cb -0.16 -0.31 -0.03 0.00 2.84 0.00 0.00 34.83 37.17 2jqj s MET 85 CO 0.04 0.05 0.06 0.16 -0.65 0.00 0.00 175.02 174.68 2jqj s ASP 86 N -1.79 5.09 -0.12 1.11 -4.77 -1.26 -1.15 116.67 113.77 2jqj s ASP 86 Ca -0.06 -0.20 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 2jqj s ASP 86 Cb -0.08 -1.91 0.02 0.00 -1.09 0.00 0.00 42.92 39.87 2jqj s ASP 86 CO -0.00 -0.01 -0.12 0.54 0.70 0.00 0.00 175.17 176.28 2jqj s VAL 87 N 1.48 1.31 0.00 2.11 0.11 -1.17 -4.87 120.40 119.38 2jqj s VAL 87 Ca 0.06 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 2jqj s VAL 87 Cb -0.15 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 2jqj s VAL 87 CO 0.03 0.41 0.00 -0.67 -3.33 0.00 0.00 175.10 171.54 2jqj n ASP 88 N 4.70 0.00 0.00 3.54 -0.08 -1.26 -3.16 116.55 120.29 2jqj n ASP 88 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2jqj n ASP 88 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2jqj n ASP 88 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2jqj n ASN 89 N 2.88 0.00 -4.75 1.67 5.15 -1.26 -5.13 115.26 113.83 2jqj n ASN 89 Ca 0.00 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.59 2jqj n ASN 89 Cb 0.00 0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.20 2jqj n ASN 89 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jqj s PHE 90 N -1.06 3.62 -0.01 1.20 0.08 -1.19 -5.04 117.98 115.58 2jqj s PHE 90 Ca 0.00 1.11 -0.27 0.00 0.12 0.00 0.00 56.93 57.89 2jqj s PHE 90 Cb 0.00 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 2jqj s PHE 90 CO 0.00 0.27 0.85 1.14 -0.10 0.00 0.00 175.22 177.38 2jqj s GLN 91 N 0.17 4.52 0.00 0.44 0.00 -1.26 -3.04 119.66 120.49 2jqj s GLN 91 Ca 0.30 1.18 0.05 0.00 -0.00 0.00 0.00 55.36 56.89 2jqj s GLN 91 Cb -0.17 -3.44 -0.03 0.00 0.00 0.00 0.00 33.01 29.37 2jqj s GLN 91 CO 0.15 0.06 -0.12 1.03 0.00 0.00 0.00 175.29 176.41 2jqj s ARG 92 N 0.70 2.38 -0.01 9.60 3.00 -0.30 -4.96 118.95 129.37 2jqj s ARG 92 Ca 0.45 -0.80 0.05 0.00 0.00 0.00 0.00 55.73 55.42 2jqj s ARG 92 Cb -0.20 -2.36 -0.03 0.00 0.00 0.00 0.00 34.95 32.36 2jqj s ARG 92 CO 0.24 0.59 -0.14 -0.80 0.00 0.00 0.00 175.30 175.19 2jqj s ASN 93 N -1.26 4.10 -0.02 0.23 0.01 -1.26 -2.53 114.94 114.21 2jqj s ASN 93 Ca 0.15 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.07 2jqj s ASN 93 Cb -0.11 -0.83 0.00 0.00 0.41 0.00 0.00 41.25 40.73 2jqj s ASN 93 CO 0.05 0.30 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.62 2jqj s LEU 94 N -1.14 1.82 -0.03 0.60 2.96 -1.12 -5.00 118.68 116.77 2jqj s LEU 94 Ca 0.14 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 2jqj s LEU 94 Cb -0.11 -0.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.99 2jqj s LEU 94 CO 0.04 0.08 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.36 2jqj s ILE 95 N 0.15 2.98 -0.08 6.68 1.09 -1.14 -3.06 121.20 127.81 2jqj s ILE 95 Ca -0.02 -0.82 0.04 0.00 -1.10 0.00 0.00 60.65 58.74 2jqj s ILE 95 Cb -0.08 -2.18 -0.01 0.00 -1.06 0.00 0.00 42.46 39.13 2jqj s ILE 95 CO 0.00 0.54 -0.20 0.21 -0.10 0.00 0.00 174.94 175.40 2jqj s ASN 96 N -0.86 3.47 -0.19 3.58 2.47 -1.08 0.58 114.94 122.91 2jqj s ASN 96 Ca 0.12 -0.42 -0.14 0.00 0.42 0.00 0.00 52.86 52.84 2jqj s ASN 96 Cb -0.11 -1.16 -0.04 0.00 -1.45 0.00 0.00 41.25 38.49 2jqj s ASN 96 CO 0.01 0.22 0.30 -0.69 -3.72 0.00 0.00 177.10 173.23 2jqj s VAL 97 N -0.01 5.28 -0.01 -5.21 1.01 0.34 -2.69 120.40 119.10 2jqj s VAL 97 Ca -0.06 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.48 2jqj s VAL 97 Cb -0.15 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2jqj s VAL 97 CO 0.05 0.33 -0.13 -0.63 0.00 0.00 0.00 175.10 174.72 2jqj s ILE 98 N 0.89 1.01 -0.13 2.22 1.01 -1.17 -2.96 121.20 122.07 2jqj s ILE 98 Ca 0.15 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 2jqj s ILE 98 Cb -0.14 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 2jqj s ILE 98 CO 0.05 0.29 -0.13 -1.81 0.00 0.00 0.00 174.94 173.34 2jqj s ASP 99 N -0.21 4.00 -0.04 3.58 1.01 -1.26 -3.57 116.67 120.17 2jqj s ASP 99 Ca 0.03 -0.33 0.15 0.00 0.71 0.00 0.00 52.55 53.11 2jqj s ASP 99 Cb -0.06 -1.61 0.27 0.00 1.01 0.00 0.00 42.92 42.53 2jqj s ASP 99 CO -0.00 0.16 1.12 2.29 0.21 0.00 0.00 175.17 178.96 2jqj n LYS 100 N 3.53 0.22 -4.11 8.23 2.85 -1.26 -5.03 118.16 122.59 2jqj n LYS 100 Ca -0.18 -1.67 -0.20 0.00 -1.05 0.00 0.00 58.31 55.20 2jqj n LYS 100 Cb 0.53 0.10 -0.07 0.00 -0.65 0.00 0.00 35.03 34.94 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 0.09 0.32 -2.15 -5.58 7.64 -1.25 -4.93 113.62 107.75 2jqj n SER 101 Ca -0.09 -2.98 -0.07 0.00 1.01 0.00 0.00 58.87 56.74 2jqj n SER 101 Cb 0.93 1.21 0.05 0.00 -1.01 0.00 0.00 64.21 65.40 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 -0.71 2.15 -0.09 1.43 0.63 -1.26 -4.77 116.66 114.03 2jqj n ARG 102 Ca 0.01 -3.52 -0.10 0.00 -0.92 0.00 0.00 57.85 53.32 2jqj n ARG 102 Cb 0.55 -1.64 -0.15 0.00 0.45 0.00 0.00 32.46 31.68 2jqj n ARG 102 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2jqj n ASN 103 N -0.55 0.30 0.00 6.15 4.13 -1.26 -5.08 115.26 118.95 2jqj n ASN 103 Ca 0.21 -0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.47 2jqj n ASN 103 Cb 0.89 0.96 0.00 0.00 -1.54 0.00 0.00 39.78 40.09 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 1.83 2.05 3.10 7.41 0.00 -1.26 -4.61 105.19 113.70 2jqj n GLY 104 Ca -0.31 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 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 1.81 -0.21 2.61 2.01 -1.26 -0.88 115.64 119.71 2jqj s THR 105 Ca 0.00 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2jqj s THR 105 Cb 0.00 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.92 2jqj s THR 105 CO 0.00 0.50 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.93 2jqj s PHE 106 N 1.08 2.88 -0.09 4.92 0.08 -0.03 -3.96 117.98 122.86 2jqj s PHE 106 Ca -0.02 -1.89 -0.00 0.00 0.12 0.00 0.00 56.93 55.13 2jqj s PHE 106 Cb -0.14 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 2jqj s PHE 106 CO -0.05 -0.82 -0.07 -1.50 -0.10 0.00 0.00 175.22 172.68 2jqj s ILE 107 N 1.24 3.67 -1.72 0.64 1.10 0.13 -0.22 121.20 126.05 2jqj s ILE 107 Ca -0.02 -0.48 -0.01 0.00 -0.51 0.00 0.00 60.65 59.63 2jqj s ILE 107 Cb -0.16 -2.52 0.00 0.00 0.15 0.00 0.00 42.46 39.93 2jqj s ILE 107 CO -0.09 0.57 0.18 0.59 -2.11 0.00 0.00 174.94 174.09 2jqj n ASN 108 N 2.58 -5.99 0.00 4.50 5.03 -0.13 -0.95 115.26 120.29 2jqj n ASN 108 Ca -0.18 -0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.17 2jqj n ASN 108 Cb 0.53 -4.94 0.00 0.00 -1.02 0.00 0.00 39.78 34.35 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 -1.17 0.31 3.12 7.41 0.00 -1.26 -4.98 105.19 108.62 2jqj n GLY 109 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.04 1.19 0.29 1.61 0.01 -0.13 -5.12 114.94 110.76 2jqj s ASN 110 Ca 0.00 -0.66 -0.29 0.00 -0.71 0.00 0.00 52.86 51.20 2jqj s ASN 110 Cb 0.00 0.02 -0.09 0.00 0.41 0.00 0.00 41.25 41.58 2jqj s ASN 110 CO 0.00 -0.21 1.09 -0.60 -1.51 0.00 0.00 177.10 175.87 2jqj s ARG 111 N -2.06 4.61 0.13 -0.60 3.52 -1.26 -0.69 118.95 122.59 2jqj s ARG 111 Ca -0.03 1.76 -0.30 0.00 -0.13 0.00 0.00 55.73 57.03 2jqj s ARG 111 Cb -0.07 -3.14 -0.06 0.00 -1.56 0.00 0.00 34.95 30.12 2jqj s ARG 111 CO 0.00 0.20 1.10 -1.17 -0.81 0.00 0.00 175.30 174.62 2jqj s LEU 112 N -1.54 4.45 -0.09 -0.88 0.20 -1.25 -4.90 118.68 114.66 2jqj s LEU 112 Ca 0.45 2.01 0.04 0.00 0.69 0.00 0.00 54.13 57.32 2jqj s LEU 112 Cb -0.31 -3.59 -0.09 0.00 -0.43 0.00 0.00 46.19 41.77 2jqj s LEU 112 CO 0.39 -0.28 -0.02 1.33 -0.29 0.00 0.00 176.35 177.48 2jqj n VAL 113 N 2.95 0.57 -3.06 1.68 0.24 -1.26 -5.05 118.33 114.39 2jqj n VAL 113 Ca 0.05 -0.29 -0.17 0.00 -2.04 0.00 0.00 64.34 61.89 2jqj n VAL 113 Cb 0.47 -0.82 0.06 0.00 -1.47 0.00 0.00 33.84 32.07 2jqj n VAL 113 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2jqj n LYS 114 N -2.51 0.67 -0.95 7.34 5.02 -1.26 -5.05 118.16 121.42 2jqj n LYS 114 Ca -0.15 -2.65 -0.00 0.00 -2.02 0.00 0.00 58.31 53.49 2jqj n LYS 114 Cb 0.73 -0.19 0.16 0.00 -0.02 0.00 0.00 35.03 35.72 2jqj n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jqj n LYS 115 N -2.05 1.92 -2.80 1.97 5.02 -1.26 -4.75 118.16 116.20 2jqj n LYS 115 Ca 0.13 -3.42 -0.10 0.00 -2.02 0.00 0.00 58.31 52.90 2jqj n LYS 115 Cb 0.51 -1.67 0.07 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.96 -1.25 -4.77 4.39 2.03 -1.26 -4.84 116.55 109.90 2jqj n ASP 116 Ca 0.23 -3.13 -0.39 0.00 0.52 0.00 0.00 54.79 52.01 2jqj n ASP 116 Cb 0.77 0.96 -0.06 0.00 -0.72 0.00 0.00 41.12 42.07 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 -0.60 3.89 -0.29 -0.67 6.14 -1.16 -4.93 117.35 119.73 2jqj s TYR 117 Ca 0.26 1.62 -0.13 0.00 0.64 0.00 0.00 57.07 59.46 2jqj s TYR 117 Cb 0.35 -2.78 -0.04 0.00 0.42 0.00 0.00 41.96 39.92 2jqj s TYR 117 CO -0.06 0.48 0.26 -1.50 0.64 0.00 0.00 175.55 175.38 2jqj s ILE 118 N -1.00 5.25 -0.13 3.14 1.10 -1.26 -0.51 121.20 127.80 2jqj s ILE 118 Ca 0.36 0.22 -0.06 0.00 -0.51 0.00 0.00 60.65 60.66 2jqj s ILE 118 Cb -0.23 -3.63 -0.04 0.00 0.15 0.00 0.00 42.46 38.71 2jqj s ILE 118 CO 0.26 0.15 0.08 -0.22 -2.11 0.00 0.00 174.94 173.10 2jqj s LEU 119 N 1.87 3.98 0.40 8.50 0.20 0.20 -4.95 118.68 128.88 2jqj s LEU 119 Ca 0.10 0.25 0.04 0.00 0.69 0.00 0.00 54.13 55.21 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 0.32 0.14 -0.54 -0.29 0.00 0.00 176.35 176.09 2jqj s LYS 120 N -0.53 1.92 0.54 1.98 1.02 -1.26 -2.89 119.74 120.52 2jqj s LYS 120 Ca 0.11 -2.17 -0.20 0.00 0.02 0.00 0.00 55.97 53.73 2jqj s LYS 120 Cb -0.12 -0.56 -0.07 0.00 -0.52 0.00 0.00 37.83 36.56 2jqj s LYS 120 CO 0.02 -0.49 0.88 0.27 -0.92 0.00 0.00 175.35 175.11 2jqj n ASN 121 N -1.32 0.50 -2.32 2.83 0.23 -1.26 -2.79 115.26 111.12 2jqj n ASN 121 Ca -0.05 0.85 -0.16 0.00 -0.53 0.00 0.00 54.58 54.70 2jqj n ASN 121 Cb 0.65 -1.33 0.04 0.00 -2.08 0.00 0.00 39.78 37.06 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 1.37 -0.09 3.57 4.83 0.00 0.19 -4.97 105.19 110.09 2jqj n GLY 122 Ca 0.12 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.00 5.15 -0.22 1.61 1.11 -1.08 -4.94 116.67 115.29 2jqj s ASP 123 Ca 0.29 -0.01 -0.12 0.00 0.18 0.00 0.00 52.55 52.89 2jqj s ASP 123 Cb -0.13 -1.80 -0.05 0.00 1.07 0.00 0.00 42.92 42.02 2jqj s ASP 123 CO 0.36 0.20 0.24 -0.13 1.18 0.00 0.00 175.17 177.03 2jqj s ARG 124 N 0.17 4.12 -0.05 8.23 0.52 -1.26 -1.07 118.95 129.60 2jqj s ARG 124 Ca 0.01 -0.10 0.06 0.00 -0.52 0.00 0.00 55.73 55.18 2jqj s ARG 124 Cb -0.13 -3.53 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 2jqj s ARG 124 CO 0.02 0.05 -0.23 0.42 0.02 0.00 0.00 175.30 175.58 2jqj s ILE 125 N 1.09 1.85 -0.12 1.52 1.09 -0.36 -0.96 121.20 125.30 2jqj s ILE 125 Ca 0.12 -0.96 0.03 0.00 -1.10 0.00 0.00 60.65 58.74 2jqj s ILE 125 Cb -0.14 -1.57 0.01 0.00 -1.06 0.00 0.00 42.46 39.70 2jqj s ILE 125 CO 0.05 0.52 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.51 2jqj s VAL 126 N -0.12 1.97 -0.12 2.92 1.01 0.70 -1.48 120.40 125.27 2jqj s VAL 126 Ca -0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2jqj s VAL 126 Cb -0.13 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2jqj s VAL 126 CO 0.03 0.53 -0.17 -0.36 0.00 0.00 0.00 175.10 175.13 2jqj s PHE 127 N 0.72 2.23 0.00 5.22 0.08 0.76 -0.85 117.98 126.14 2jqj s PHE 127 Ca -0.10 -1.09 0.00 0.00 0.12 0.00 0.00 56.93 55.86 2jqj s PHE 127 Cb -0.16 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 2jqj s PHE 127 CO 0.01 -0.54 0.00 0.41 -0.10 0.00 0.00 175.22 175.00 2jqj n GLY 128 N 4.19 1.63 2.05 4.36 0.00 -0.06 -2.50 105.19 114.87 2jqj n GLY 128 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 -0.18 0.00 1.61 4.81 -1.25 -4.81 118.16 116.33 2jqj n LYS 129 Ca 0.00 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2jqj n LYS 129 Cb 0.00 -3.84 0.00 0.00 0.02 0.00 0.00 35.03 31.21 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2jqj n SER 130 N 1.56 0.00 -4.59 3.14 3.41 -1.24 -5.07 113.62 110.83 2jqj n SER 130 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 2jqj n SER 130 Cb 0.42 0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 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 2.68 2.59 0.05 0.00 0.15 -1.26 -0.17 113.70 117.74 2jqj s SER 132 Ca 0.45 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.64 2jqj s SER 132 Cb -0.07 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.03 2jqj s SER 132 CO 0.29 0.04 -0.05 0.72 1.20 0.00 0.00 173.24 175.43 2jqj s PHE 133 N 0.92 0.58 -0.16 3.44 -0.12 -0.55 -0.70 117.98 121.39 2jqj s PHE 133 Ca -0.07 -0.76 -0.04 0.00 -0.05 0.00 0.00 56.93 56.01 2jqj s PHE 133 Cb -0.15 -0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 41.84 2jqj s PHE 133 CO -0.01 -0.20 -0.02 -1.17 -0.05 0.00 0.00 175.22 173.76 2jqj s LEU 134 N -2.25 3.33 -0.09 -1.99 0.20 0.19 -1.23 118.68 116.85 2jqj s LEU 134 Ca -0.02 -0.10 -0.06 0.00 0.69 0.00 0.00 54.13 54.64 2jqj s LEU 134 Cb -0.02 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 2jqj s LEU 134 CO -0.04 0.17 0.16 0.12 -0.29 0.00 0.00 176.35 176.48 2jqj s PHE 135 N 0.35 3.59 0.05 5.38 2.19 -0.24 -1.37 117.98 127.94 2jqj s PHE 135 Ca -0.03 0.51 -0.20 0.00 0.33 0.00 0.00 56.93 57.54 2jqj s PHE 135 Cb -0.14 -1.93 0.04 0.00 -1.31 0.00 0.00 43.02 39.69 2jqj s PHE 135 CO 0.03 0.71 0.45 0.21 1.83 0.00 0.00 175.22 178.45 2jqj s LYS 136 N -1.27 0.98 0.20 10.12 2.20 -1.14 -0.64 119.74 130.19 2jqj s LYS 136 Ca 0.19 -0.34 -0.28 0.00 -0.36 0.00 0.00 55.97 55.18 2jqj s LYS 136 Cb -0.12 0.44 -0.08 0.00 -1.51 0.00 0.00 37.83 36.55 2jqj s LYS 136 CO 0.08 -0.35 0.88 0.71 -0.36 0.00 0.00 175.35 176.31 2jqj s TYR 137 N -2.55 3.94 -0.63 4.03 2.02 -1.26 -2.60 117.35 120.30 2jqj s TYR 137 Ca -0.05 1.80 0.06 0.00 -0.37 0.00 0.00 57.07 58.51 2jqj s TYR 137 Cb -0.01 -2.90 0.26 0.00 -0.40 0.00 0.00 41.96 38.91 2jqj s TYR 137 CO -0.03 0.46 0.77 0.00 -1.57 0.00 0.00 175.55 175.18 2jqj n ALA 138 N 1.64 4.13 -0.01 3.71 0.00 -0.05 -4.89 120.51 125.03 2jqj n ALA 138 Ca -0.03 -4.74 -0.12 0.00 0.00 0.00 0.00 53.44 48.54 2jqj n ALA 138 Cb 0.48 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 2jqj n ALA 138 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jqj h SER 139 N 4.01 0.09 0.00 0.00 0.87 -1.95 -3.42 113.55 113.15 2jqj h SER 139 Ca 0.19 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2jqj h SER 139 Cb 0.64 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2jqj h SER 139 CO 0.83 0.39 -0.62 -0.24 -0.53 0.00 0.00 176.83 176.66 2jqj n SER 140 N -4.87 1.20 -2.37 6.23 2.88 -1.26 -5.09 113.62 110.35 2jqj n SER 140 Ca -0.07 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.46 2jqj n SER 140 Cb 0.19 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.64 2jqj n SER 140 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jqj n SER 141 N -2.48 -7.44 -4.65 -3.46 7.64 -1.26 -4.98 113.62 96.99 2jqj n SER 141 Ca 0.00 1.71 -0.35 0.00 1.01 0.00 0.00 58.87 61.24 2jqj n SER 141 Cb 0.31 -5.12 -0.09 0.00 -1.01 0.00 0.00 64.21 58.29 2jqj n SER 141 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jqj s SER 142 N -0.60 5.76 -0.25 6.43 0.01 -1.26 -4.96 113.70 118.84 2jqj s SER 142 Ca -0.06 0.10 0.16 0.00 1.31 0.00 0.00 55.95 57.47 2jqj s SER 142 Cb 0.00 -2.00 0.41 0.00 0.21 0.00 0.00 66.02 64.64 2jqj s SER 142 CO 0.17 0.16 1.30 0.35 0.41 0.00 0.00 173.24 175.63 2jqj n THR 143 N 3.61 0.46 -2.46 1.44 -2.24 -1.26 -5.08 114.28 108.76 2jqj n THR 143 Ca -0.16 -1.59 -0.41 0.00 -2.27 0.00 0.00 64.05 59.61 2jqj n THR 143 Cb 0.52 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 2jqj n THR 143 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jqj s ASP 144 N -2.16 6.18 0.00 3.42 1.01 -1.26 -4.94 116.67 118.91 2jqj s ASP 144 Ca 0.17 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.52 2jqj s ASP 144 Cb 0.35 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.73 2jqj s ASP 144 CO -0.09 -1.71 0.00 -0.38 0.21 0.00 0.00 175.17 173.20 2jqj n ILE 145 N 6.73 0.00 0.00 0.77 2.08 -1.26 -5.10 119.36 122.57 2jqj n ILE 145 Ca 0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.41 2jqj n ILE 145 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 2jqj n ILE 145 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2jqj n GLU 146 N 0.00 0.00 -3.75 0.38 4.07 -1.26 -5.01 120.64 115.07 2jqj n GLU 146 Ca 0.00 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.80 2jqj n GLU 146 Cb 0.00 -0.37 -0.14 0.00 -0.06 0.00 0.00 31.44 30.87 2jqj n GLU 146 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2jqj s ASN 147 N -4.42 3.92 0.29 4.31 -0.87 -1.26 -5.12 114.94 111.79 2jqj s ASN 147 Ca 0.00 -2.17 -0.25 0.00 -1.57 0.00 0.00 52.86 48.87 2jqj s ASN 147 Cb 0.00 -1.02 -0.09 0.00 -0.02 0.00 0.00 41.25 40.11 2jqj s ASN 147 CO 0.00 -0.34 0.89 -0.62 -2.57 0.00 0.00 177.10 174.46 2jqj s ASP 148 N 0.93 7.31 -1.20 -1.22 2.15 -1.26 -4.99 116.67 118.39 2jqj s ASP 148 Ca 0.14 1.74 -0.13 0.00 0.43 0.00 0.00 52.55 54.73 2jqj s ASP 148 Cb -0.21 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.05 2jqj s ASP 148 CO -0.11 -0.01 1.40 -1.81 -0.17 0.00 0.00 175.17 174.47 2jqj s ASP 149 N -1.56 7.11 -0.30 -0.34 1.01 -1.26 -4.88 116.67 116.45 2jqj s ASP 149 Ca 0.47 -3.08 -0.17 0.00 0.71 0.00 0.00 52.55 50.48 2jqj s ASP 149 Cb -0.19 -2.38 0.20 0.00 1.01 0.00 0.00 42.92 41.56 2jqj s ASP 149 CO 0.24 -0.69 1.21 -0.70 0.21 0.00 0.00 175.17 175.44 2jqj s GLU 150 N 1.22 0.12 0.04 8.23 2.12 -1.26 -5.14 118.70 124.03 2jqj s GLU 150 Ca 0.41 0.20 -0.30 0.00 0.36 0.00 0.00 54.97 55.64 2jqj s GLU 150 Cb -0.04 0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.33 2jqj s GLU 150 CO -0.01 -0.02 1.16 0.15 -0.54 0.00 0.00 175.26 176.00 2jqj s LYS 151 N 1.04 4.44 -0.11 4.30 -0.14 -1.26 -5.03 119.74 122.98 2jqj s LYS 151 Ca -0.07 1.70 -0.01 0.00 -1.36 0.00 0.00 55.97 56.23 2jqj s LYS 151 Cb -0.03 -3.39 0.03 0.00 -1.68 0.00 0.00 37.83 32.76 2jqj s LYS 151 CO -0.11 -0.24 -0.06 0.14 -0.76 0.00 0.00 175.35 174.32 2jqj s VAL 152 N 1.18 0.89 0.16 3.17 -7.23 -1.26 -5.14 120.40 112.18 2jqj s VAL 152 Ca 0.57 -0.21 0.06 0.00 -1.81 0.00 0.00 61.98 60.60 2jqj s VAL 152 Cb -0.28 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2jqj s VAL 152 CO 0.28 0.34 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.72 2jqj s SER 153 N 1.76 2.20 -0.10 4.85 0.15 -1.26 -5.06 113.70 116.25 2jqj s SER 153 Ca 0.05 -0.92 0.05 0.00 0.70 0.00 0.00 55.95 55.83 2jqj s SER 153 Cb -0.13 -0.09 -0.09 0.00 -1.71 0.00 0.00 66.02 64.01 2jqj s SER 153 CO -0.08 -0.18 -0.03 -1.54 1.20 0.00 0.00 173.24 172.62 2jqj n SER 154 N 0.09 2.96 -4.84 5.45 3.41 -1.26 -5.04 113.62 114.39 2jqj n SER 154 Ca -0.12 -0.03 -0.22 0.00 -0.26 0.00 0.00 58.87 58.24 2jqj n SER 154 Cb 0.59 0.31 0.07 0.00 -0.26 0.00 0.00 64.21 64.93 2jqj n SER 154 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2jqj s GLU 155 N -2.22 2.09 0.09 4.33 2.12 -1.26 -5.13 118.70 118.72 2jqj s GLU 155 Ca -0.09 -1.09 0.04 0.00 0.36 0.00 0.00 54.97 54.19 2jqj s GLU 155 Cb 0.03 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.94 2jqj s GLU 155 CO 0.32 -1.08 -0.11 0.45 -0.54 0.00 0.00 175.26 174.29 2jqj s SER 156 N -4.61 1.51 -1.72 -1.70 0.15 -1.26 -4.79 113.70 101.28 2jqj s SER 156 Ca 0.62 -0.76 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 2jqj s SER 156 Cb -0.07 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2jqj s SER 156 CO 0.41 -0.22 0.21 0.54 1.20 0.00 0.00 173.24 175.38 2jqj n ARG 157 N 0.72 -2.80 -3.72 5.44 1.74 -1.26 -4.96 116.66 111.83 2jqj n ARG 157 Ca -0.17 0.98 -0.10 0.00 -0.77 0.00 0.00 57.85 57.79 2jqj n ARG 157 Cb 0.57 -5.72 -0.05 0.00 -1.02 0.00 0.00 32.46 26.24 2jqj n ARG 157 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jqj s SER 158 N -2.27 -0.20 0.00 0.55 1.04 -1.26 -5.31 113.70 106.25 2jqj s SER 158 Ca 0.10 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2jqj s SER 158 Cb -0.05 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2jqj s SER 158 CO 0.13 -0.92 0.00 0.00 0.98 0.00 0.00 173.24 173.43