#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 -3.80 -2.48 1.97 0.63 -1.26 -3.97 116.66 107.76 2jqj n ARG 20 Ca 0.00 2.97 -0.20 0.00 -0.92 0.00 0.00 57.85 59.70 2jqj n ARG 20 Cb 0.00 -5.28 -0.00 0.00 0.45 0.00 0.00 32.46 27.62 2jqj n ARG 20 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2jqj n GLN 21 N 0.97 -2.10 -3.34 -0.14 1.13 -1.26 -4.93 117.38 107.71 2jqj n GLN 21 Ca -0.12 0.97 -0.23 0.00 -1.94 0.00 0.00 57.00 55.68 2jqj n GLN 21 Cb 0.18 -5.65 -0.09 0.00 0.11 0.00 0.00 30.24 24.79 2jqj n GLN 21 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2jqj s GLN 22 N -5.13 0.79 0.00 -1.09 2.00 -1.25 -4.93 119.66 110.05 2jqj s GLN 22 Ca 0.04 -1.62 0.00 0.00 -2.00 0.00 0.00 55.36 51.78 2jqj s GLN 22 Cb -0.02 -1.13 0.00 0.00 0.80 0.00 0.00 33.01 32.66 2jqj s GLN 22 CO 0.05 -1.31 0.00 -2.13 -0.50 0.00 0.00 175.29 171.40 2jqj n ARG 23 N 3.36 0.00 -2.50 1.67 0.63 -1.26 -3.84 116.66 114.72 2jqj n ARG 23 Ca 0.21 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.92 2jqj n ARG 23 Cb 0.46 -0.09 0.05 0.00 0.45 0.00 0.00 32.46 33.32 2jqj n ARG 23 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2jqj s SER 24 N -3.81 5.08 0.28 6.15 1.04 -1.26 -5.12 113.70 116.06 2jqj s SER 24 Ca 0.00 0.10 0.11 0.00 0.48 0.00 0.00 55.95 56.64 2jqj s SER 24 Cb 0.00 -0.89 -0.05 0.00 0.10 0.00 0.00 66.02 65.19 2jqj s SER 24 CO 0.00 -1.32 -0.09 0.54 0.98 0.00 0.00 173.24 173.35 2jqj s ASN 25 N -4.47 4.08 -0.44 7.02 4.22 -1.26 -5.11 114.94 118.98 2jqj s ASN 25 Ca 0.59 -0.86 0.03 0.00 -2.14 0.00 0.00 52.86 50.48 2jqj s ASN 25 Cb -0.10 -0.57 0.16 0.00 1.28 0.00 0.00 41.25 42.02 2jqj s ASN 25 CO 0.41 -0.01 0.33 -0.54 -2.04 0.00 0.00 177.10 175.24 2jqj s LYS 26 N -3.61 1.10 0.90 3.55 1.02 -1.26 -5.13 119.74 116.31 2jqj s LYS 26 Ca 0.31 -2.13 -0.11 0.00 0.02 0.00 0.00 55.97 54.06 2jqj s LYS 26 Cb -0.05 -1.78 0.11 0.00 -0.52 0.00 0.00 37.83 35.58 2jqj s LYS 26 CO 0.18 -1.31 0.97 -2.30 -0.92 0.00 0.00 175.35 171.96 2jqj n PRO 27 N 3.02 -0.29 -0.03 -1.68 -0.02 -1.26 -5.01 135.00 129.74 2jqj n PRO 27 Ca 0.23 -0.02 -0.04 0.00 -2.02 0.00 0.00 63.50 61.64 2jqj n PRO 27 Cb 0.43 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 2jqj n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jqj n SER 28 N -3.28 1.39 -4.87 2.55 2.88 -1.26 -5.04 113.62 106.00 2jqj n SER 28 Ca 0.11 0.22 -0.31 0.00 -1.33 0.00 0.00 58.87 57.56 2jqj n SER 28 Cb 0.52 -0.53 -0.05 0.00 -0.75 0.00 0.00 64.21 63.40 2jqj n SER 28 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jqj s SER 29 N -5.77 6.62 0.47 -3.46 0.01 -1.26 -5.09 113.70 105.22 2jqj s SER 29 Ca -0.14 1.05 0.03 0.00 1.31 0.00 0.00 55.95 58.19 2jqj s SER 29 Cb 0.02 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 63.98 2jqj s SER 29 CO 0.21 -0.20 0.67 -1.61 0.41 0.00 0.00 173.24 172.72 2jqj s GLU 30 N -3.19 2.84 -0.30 12.44 0.41 -1.26 -5.09 118.70 124.55 2jqj s GLU 30 Ca 0.50 -0.77 -0.12 0.00 -0.41 0.00 0.00 54.97 54.17 2jqj s GLU 30 Cb -0.11 -2.59 0.17 0.00 -1.78 0.00 0.00 34.13 29.82 2jqj s GLU 30 CO 0.23 -0.40 0.92 0.71 -0.49 0.00 0.00 175.26 176.23 2jqj s TYR 31 N -2.56 -0.84 0.11 1.61 1.51 -1.26 -3.83 117.35 112.09 2jqj s TYR 31 Ca 0.52 1.20 0.02 0.00 -1.01 0.00 0.00 57.07 57.80 2jqj s TYR 31 Cb -0.10 0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 42.12 2jqj s TYR 31 CO 0.37 -0.44 0.20 0.99 -1.11 0.00 0.00 175.55 175.56 2jqj s THR 32 N 2.69 5.05 0.30 -0.71 2.01 -1.26 -4.77 115.64 118.95 2jqj s THR 32 Ca 0.01 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 2jqj s THR 32 Cb -0.09 -3.53 -0.11 0.00 0.01 0.00 0.00 72.50 68.78 2jqj s THR 32 CO -0.16 0.02 1.61 0.00 -0.69 0.00 0.00 174.62 175.39 2jqj n LEU 34 N 2.14 0.02 -4.28 0.00 7.94 -1.12 -4.93 117.00 116.76 2jqj n LEU 34 Ca 0.08 0.29 -0.19 0.00 -1.11 0.00 0.00 56.01 55.08 2jqj n LEU 34 Cb 0.37 0.19 -0.08 0.00 0.53 0.00 0.00 43.42 44.43 2jqj n LEU 34 CO 0.64 -0.69 -0.13 -0.83 -1.11 0.00 0.00 177.39 175.27 2jqj s GLY 35 N -4.47 2.26 0.21 -3.96 0.00 -0.99 0.53 107.32 100.90 2jqj s GLY 35 Ca 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 44.72 42.74 2jqj s GLY 35 CO 0.00 -1.48 0.02 0.30 0.00 0.00 0.00 173.10 171.94 2jqj s HIS 36 N -3.51 1.40 -0.20 1.90 3.76 0.60 0.10 115.29 119.34 2jqj s HIS 36 Ca 0.40 -1.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 2jqj s HIS 36 Cb 0.03 -0.81 0.05 0.00 1.11 0.00 0.00 32.58 32.96 2jqj s HIS 36 CO 0.26 -0.18 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.38 2jqj s LEU 37 N -3.25 2.09 -0.25 0.89 1.43 0.28 -2.53 118.68 117.34 2jqj s LEU 37 Ca 0.28 -0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 2jqj s LEU 37 Cb 0.06 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 2jqj s LEU 37 CO 0.08 -0.18 0.34 -0.69 0.23 0.00 0.00 176.35 176.12 2jqj s VAL 38 N 1.49 5.21 -0.37 -1.59 1.01 -0.76 -0.52 120.40 124.87 2jqj s VAL 38 Ca -0.02 0.52 -0.21 0.00 0.00 0.00 0.00 61.98 62.28 2jqj s VAL 38 Cb -0.16 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2jqj s VAL 38 CO -0.08 0.21 0.68 0.20 0.00 0.00 0.00 175.10 176.11 2jqj s ASN 39 N 1.43 6.44 -0.54 3.32 0.01 0.22 -1.25 114.94 124.58 2jqj s ASN 39 Ca 0.14 0.13 -0.28 0.00 -0.71 0.00 0.00 52.86 52.14 2jqj s ASN 39 Cb -0.15 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.18 2jqj s ASN 39 CO 0.09 -0.66 1.31 -0.76 -1.51 0.00 0.00 177.10 175.56 2jqj s LEU 40 N 2.85 3.47 -0.01 0.60 1.43 -0.52 -3.09 118.68 123.40 2jqj s LEU 40 Ca 0.26 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.75 2jqj s LEU 40 Cb -0.14 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 2jqj s LEU 40 CO 0.16 -1.54 -0.21 -0.63 0.23 0.00 0.00 176.35 174.36 2jqj s ILE 41 N 5.42 1.63 -1.15 -0.59 1.09 -1.21 -4.68 121.20 121.71 2jqj s ILE 41 Ca 0.50 -0.90 -0.21 0.00 -1.10 0.00 0.00 60.65 58.94 2jqj s ILE 41 Cb -0.10 -1.36 0.01 0.00 -1.06 0.00 0.00 42.46 39.96 2jqj s ILE 41 CO 0.27 0.45 1.75 -2.16 -0.10 0.00 0.00 174.94 175.14 2jqj s PRO 42 N -0.52 3.34 0.00 2.79 0.04 -1.26 -2.83 135.00 136.56 2jqj s PRO 42 Ca 0.08 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.77 2jqj s PRO 42 Cb -0.08 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.10 2jqj s PRO 42 CO -0.01 -2.82 0.00 0.41 0.04 0.00 0.00 177.00 174.63 2jqj n GLY 43 N 6.05 1.87 3.58 0.56 0.00 -1.26 -5.12 105.19 110.88 2jqj n GLY 43 Ca 0.43 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.47 2jqj n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jqj s LYS 44 N -0.09 0.04 -0.08 1.61 2.20 -1.13 -5.17 119.74 117.12 2jqj s LYS 44 Ca 0.00 -0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 55.55 2jqj s LYS 44 Cb 0.00 0.02 0.04 0.00 -1.51 0.00 0.00 37.83 36.38 2jqj s LYS 44 CO 0.00 -0.02 0.18 -1.21 -0.36 0.00 0.00 175.35 173.94 2jqj s GLU 45 N -2.05 0.12 -0.21 4.03 2.02 -1.26 -3.33 118.70 118.02 2jqj s GLU 45 Ca 0.14 0.45 -0.01 0.00 0.02 0.00 0.00 54.97 55.57 2jqj s GLU 45 Cb 0.05 -0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.12 2jqj s GLU 45 CO -0.05 -0.19 -0.11 -0.65 0.02 0.00 0.00 175.26 174.27 2jqj s GLN 46 N 1.40 3.08 -0.20 1.61 -1.52 -1.18 -4.97 119.66 117.88 2jqj s GLN 46 Ca -0.07 -0.80 -0.05 0.00 -1.95 0.00 0.00 55.36 52.49 2jqj s GLN 46 Cb -0.11 -2.82 -0.02 0.00 -0.22 0.00 0.00 33.01 29.84 2jqj s GLN 46 CO -0.07 -0.25 -0.01 0.15 -0.25 0.00 0.00 175.29 174.86 2jqj s LYS 47 N 1.36 3.60 -0.04 2.91 -0.14 -1.26 0.71 119.74 126.89 2jqj s LYS 47 Ca 0.04 -0.53 0.07 0.00 -1.36 0.00 0.00 55.97 54.19 2jqj s LYS 47 Cb -0.14 -3.06 -0.01 0.00 -1.68 0.00 0.00 37.83 32.93 2jqj s LYS 47 CO -0.08 0.02 -0.25 0.08 -0.76 0.00 0.00 175.35 174.36 2jqj s VAL 48 N 0.97 2.02 -0.00 3.17 1.01 0.33 -4.95 120.40 122.94 2jqj s VAL 48 Ca 0.01 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.68 2jqj s VAL 48 Cb -0.14 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 2jqj s VAL 48 CO 0.02 0.57 0.73 -1.83 0.00 0.00 0.00 175.10 174.58 2jqj s GLU 49 N -0.37 4.45 -0.28 2.72 -1.05 -1.26 1.00 118.70 123.91 2jqj s GLU 49 Ca 0.03 0.97 -0.06 0.00 -0.15 0.00 0.00 54.97 55.76 2jqj s GLU 49 Cb -0.12 -3.39 0.00 0.00 -0.44 0.00 0.00 34.13 30.18 2jqj s GLU 49 CO 0.01 0.21 0.06 0.42 0.95 0.00 0.00 175.26 176.91 2jqj s ILE 50 N 0.27 3.89 0.38 1.83 -1.09 0.28 -4.89 121.20 121.87 2jqj s ILE 50 Ca 0.38 -0.61 0.07 0.00 -2.23 0.00 0.00 60.65 58.26 2jqj s ILE 50 Cb -0.19 -2.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.73 2jqj s ILE 50 CO 0.21 0.17 0.50 0.42 -1.23 0.00 0.00 174.94 175.00 2jqj s THR 51 N 1.51 3.44 0.00 2.92 -4.23 -1.26 -2.34 115.64 115.67 2jqj s THR 51 Ca 0.03 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2jqj s THR 51 Cb -0.16 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.50 2jqj s THR 51 CO 0.02 -0.07 0.00 0.59 -0.54 0.00 0.00 174.62 174.61 2jqj n ASN 52 N -1.71 0.00 0.00 3.99 5.03 -1.08 -4.80 115.26 116.69 2jqj n ASN 52 Ca 0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.49 2jqj n ASN 52 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.35 2jqj n ASN 52 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2jqj n ARG 53 N 0.00 0.00 0.00 3.52 0.63 -1.25 -3.89 116.66 115.67 2jqj n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jqj n ARG 53 Cb 0.00 -3.08 0.00 0.00 0.45 0.00 0.00 32.46 29.83 2jqj n ARG 53 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2jqj n ASN 54 N 0.00 0.00 -3.95 6.15 5.03 -0.87 -4.81 115.26 116.81 2jqj n ASN 54 Ca 0.00 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.30 2jqj n ASN 54 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.62 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jqj s VAL 55 N 0.00 0.35 -0.08 2.41 1.01 -1.25 -1.93 120.40 120.91 2jqj s VAL 55 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2jqj s VAL 55 Cb 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.08 2jqj s VAL 55 CO 0.00 0.06 -0.17 -0.89 0.00 0.00 0.00 175.10 174.10 2jqj s THR 56 N -0.19 1.49 -0.14 3.92 2.01 0.53 -4.85 115.64 118.41 2jqj s THR 56 Ca 0.01 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 2jqj s THR 56 Cb -0.02 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2jqj s THR 56 CO -0.00 0.43 0.06 0.42 -0.69 0.00 0.00 174.62 174.84 2jqj s THR 57 N 0.52 4.79 -0.10 -0.82 -4.23 -1.26 -0.43 115.64 114.11 2jqj s THR 57 Ca -0.16 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 2jqj s THR 57 Cb -0.16 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.60 2jqj s THR 57 CO 0.06 0.55 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.95 2jqj s ILE 58 N -0.36 1.15 0.00 2.99 1.01 -0.81 0.83 121.20 126.01 2jqj s ILE 58 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2jqj s ILE 58 Cb -0.12 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.25 2jqj s ILE 58 CO 0.02 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2jqj n GLY 59 N 4.46 -0.61 0.13 6.18 0.00 -1.00 -3.04 105.19 111.32 2jqj n GLY 59 Ca -0.17 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 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 0.65 -1.65 1.61 0.63 -1.21 -2.99 116.66 113.70 2jqj n ARG 60 Ca 0.00 0.15 -0.59 0.00 -0.92 0.00 0.00 57.85 56.49 2jqj n ARG 60 Cb 0.00 -1.52 -0.08 0.00 0.45 0.00 0.00 32.46 31.31 2jqj n ARG 60 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jqj n SER 61 N -3.27 2.02 0.10 6.15 7.64 -1.26 -4.79 113.62 120.21 2jqj n SER 61 Ca -0.46 0.99 0.18 0.00 1.01 0.00 0.00 58.87 60.59 2jqj n SER 61 Cb 0.99 -1.09 0.73 0.00 -1.01 0.00 0.00 64.21 63.83 2jqj n SER 61 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2jqj h ARG 62 N 7.53 0.00 0.00 1.43 1.12 -1.99 0.31 114.38 122.78 2jqj h ARG 62 Ca -0.41 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.43 2jqj h ARG 62 Cb 1.34 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.29 2jqj h ARG 62 CO 0.98 0.00 -0.15 0.77 -3.11 0.00 0.00 179.97 178.47 2jqj h SER 63 N 0.00 0.00 -3.56 -3.80 0.02 -2.00 -3.45 113.55 100.76 2jqj h SER 63 Ca 0.17 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.56 2jqj h SER 63 Cb 0.73 0.00 0.19 0.00 0.14 0.00 0.00 62.40 63.46 2jqj h SER 63 CO -0.00 0.15 -0.13 0.00 -1.14 0.00 0.00 176.83 175.70 2jqj h ASP 65 N -0.49 0.40 -3.71 0.00 1.82 0.12 -3.44 116.42 111.13 2jqj h ASP 65 Ca -0.46 -0.29 -0.58 0.00 -0.39 0.00 0.00 57.03 55.31 2jqj h ASP 65 Cb 1.33 -0.11 -0.32 0.00 0.68 0.00 0.00 39.33 40.91 2jqj h ASP 65 CO 0.44 0.60 -0.84 -0.69 -1.61 0.00 0.00 179.24 177.13 2jqj s VAL 66 N -5.05 1.51 -0.23 2.25 1.01 0.24 -4.90 120.40 115.24 2jqj s VAL 66 Ca -0.14 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 2jqj s VAL 66 Cb 0.07 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2jqj s VAL 66 CO 0.74 0.44 0.06 0.27 0.00 0.00 0.00 175.10 176.60 2jqj s ILE 67 N 0.21 4.33 0.00 2.22 -4.36 -1.26 -2.38 121.20 119.96 2jqj s ILE 67 Ca -0.09 -0.17 0.00 0.00 -0.26 0.00 0.00 60.65 60.13 2jqj s ILE 67 Cb -0.14 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.57 2jqj s ILE 67 CO 0.04 0.37 0.00 0.18 0.24 0.00 0.00 174.94 175.77 2jqj n LEU 68 N 4.58 0.14 0.00 0.37 7.99 -1.16 -4.97 117.00 123.95 2jqj n LEU 68 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 2jqj n LEU 68 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2jqj n LEU 68 CO 0.32 0.00 0.00 -0.24 -1.51 0.00 0.00 177.39 175.96 2jqj n SER 69 N -0.20 0.00 0.00 -1.43 2.88 -1.26 -5.11 113.62 108.50 2jqj n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jqj n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jqj n SER 69 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jqj n GLU 70 N 0.00 0.00 -0.37 -1.46 2.13 -1.26 -4.85 120.64 114.83 2jqj n GLU 70 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 2jqj n GLU 70 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 2jqj h PRO 71 N 0.00 1.27 -0.04 5.31 0.11 -2.00 -3.02 132.00 133.64 2jqj h PRO 71 Ca 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2jqj h PRO 71 Cb 0.00 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 30.82 2jqj h PRO 71 CO 0.00 0.84 0.00 -0.25 -0.21 0.00 0.00 178.00 178.38 2jqj n ASP 72 N -4.42 2.56 -4.53 -2.05 9.92 -1.26 -4.99 116.55 111.79 2jqj n ASP 72 Ca 0.12 -3.06 -0.36 0.00 -0.53 0.00 0.00 54.79 50.96 2jqj n ASP 72 Cb 0.05 -0.44 -0.12 0.00 -0.64 0.00 0.00 41.12 39.97 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 -2.84 4.68 0.19 0.53 1.10 -1.14 -4.88 121.20 118.84 2jqj s ILE 73 Ca 0.33 -0.05 -0.30 0.00 -0.51 0.00 0.00 60.65 60.12 2jqj s ILE 73 Cb 0.28 -3.18 -0.08 0.00 0.15 0.00 0.00 42.46 39.63 2jqj s ILE 73 CO 0.04 0.34 1.23 -0.94 -2.11 0.00 0.00 174.94 173.50 2jqj s SER 74 N 1.38 7.03 0.47 4.50 1.04 -1.26 -4.01 113.70 122.85 2jqj s SER 74 Ca 0.06 2.28 0.14 0.00 0.48 0.00 0.00 55.95 58.91 2jqj s SER 74 Cb -0.15 -2.61 1.09 0.00 0.10 0.00 0.00 66.02 64.45 2jqj s SER 74 CO 0.05 -0.42 2.06 0.74 0.98 0.00 0.00 173.24 176.65 2jqj h THR 75 N 3.75 1.08 -0.38 2.02 2.02 -1.91 -1.73 112.91 117.75 2jqj h THR 75 Ca -0.45 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2jqj h THR 75 Cb 1.21 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2jqj h THR 75 CO 0.75 0.11 0.00 0.49 0.37 0.00 0.00 175.52 177.24 2jqj n PHE 76 N -4.42 0.82 -0.02 3.16 3.72 -1.26 -4.50 117.46 114.96 2jqj n PHE 76 Ca -0.02 -0.64 -0.00 0.00 -0.05 0.00 0.00 57.45 56.73 2jqj n PHE 76 Cb 0.17 -0.16 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.32 -0.02 -3.68 1.38 -0.00 -0.65 -4.24 115.22 108.33 2jqj n HIS 77 Ca 0.18 0.04 -0.10 0.00 0.46 0.00 0.00 57.72 58.30 2jqj n HIS 77 Cb 0.67 -0.19 -0.03 0.00 -0.12 0.00 0.00 29.99 30.31 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 -3.52 -1.12 -0.02 1.57 0.00 -1.17 -2.17 121.76 115.33 2jqj s ALA 78 Ca -0.00 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2jqj s ALA 78 Cb 0.00 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 2jqj s ALA 78 CO 0.02 -0.82 -0.10 -1.21 0.00 0.00 0.00 175.76 173.65 2jqj s GLU 79 N -3.85 0.95 -0.10 0.00 8.01 0.06 -1.93 118.70 121.85 2jqj s GLU 79 Ca 0.07 -0.36 0.04 0.00 0.01 0.00 0.00 54.97 54.73 2jqj s GLU 79 Cb -0.02 -0.90 -0.00 0.00 -4.31 0.00 0.00 34.13 28.90 2jqj s GLU 79 CO -0.04 0.18 -0.23 -0.06 0.01 0.00 0.00 175.26 175.12 2jqj s PHE 80 N -0.04 2.59 -0.33 1.61 0.40 0.43 -0.55 117.98 122.08 2jqj s PHE 80 Ca 0.01 -0.99 -0.17 0.00 -0.60 0.00 0.00 56.93 55.18 2jqj s PHE 80 Cb -0.06 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2jqj s PHE 80 CO 0.00 -0.39 0.45 -1.01 0.70 0.00 0.00 175.22 174.97 2jqj s HIS 81 N 0.33 3.20 -0.37 0.36 3.76 -0.42 0.20 115.29 122.36 2jqj s HIS 81 Ca -0.18 0.20 -0.09 0.00 -0.15 0.00 0.00 55.06 54.84 2jqj s HIS 81 Cb -0.18 -2.79 0.04 0.00 1.11 0.00 0.00 32.58 30.76 2jqj s HIS 81 CO 0.08 -0.45 0.18 -1.17 -0.85 0.00 0.00 174.74 172.54 2jqj s LEU 82 N 2.24 4.63 -0.01 0.89 2.96 -0.81 -2.03 118.68 126.54 2jqj s LEU 82 Ca 0.17 -1.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.04 2jqj s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2jqj s LEU 82 CO 0.12 -0.38 -0.23 -1.48 -1.32 0.00 0.00 176.35 173.06 2jqj s LEU 83 N 1.48 2.05 -0.14 -0.68 2.34 -1.17 -2.06 118.68 120.50 2jqj s LEU 83 Ca 0.01 -0.42 -0.10 0.00 0.06 0.00 0.00 54.13 53.68 2jqj s LEU 83 Cb -0.20 -1.17 -0.05 0.00 -0.56 0.00 0.00 46.19 44.21 2jqj s LEU 83 CO 0.05 0.28 0.20 -1.58 -1.06 0.00 0.00 176.35 174.23 2jqj s GLN 84 N -0.57 3.89 -0.22 1.48 -0.44 -1.26 -3.10 119.66 119.44 2jqj s GLN 84 Ca 0.09 -0.05 -0.06 0.00 -2.50 0.00 0.00 55.36 52.84 2jqj s GLN 84 Cb -0.09 -3.31 -0.03 0.00 -1.64 0.00 0.00 33.01 27.94 2jqj s GLN 84 CO -0.01 0.51 0.04 1.41 0.50 0.00 0.00 175.29 177.74 2jqj s MET 85 N -0.30 3.66 -0.28 1.67 -2.45 -0.53 -5.04 119.30 116.03 2jqj s MET 85 Ca 0.14 -0.49 -0.14 0.00 -1.25 0.00 0.00 55.69 53.96 2jqj s MET 85 Cb -0.12 -3.20 -0.04 0.00 1.25 0.00 0.00 34.83 32.71 2jqj s MET 85 CO 0.03 -0.06 0.32 0.16 1.05 0.00 0.00 175.02 176.53 2jqj s ASP 86 N 1.23 6.18 -0.00 1.11 -4.77 -1.26 -2.70 116.67 116.46 2jqj s ASP 86 Ca 0.04 0.16 -0.00 0.00 -3.30 0.00 0.00 52.55 49.45 2jqj s ASP 86 Cb -0.15 -2.19 0.00 0.00 -1.09 0.00 0.00 42.92 39.50 2jqj s ASP 86 CO 0.02 -0.16 0.00 -0.69 0.70 0.00 0.00 175.17 175.04 2jqj s VAL 87 N 1.98 -0.01 0.15 2.11 1.01 -1.26 -5.03 120.40 119.36 2jqj s VAL 87 Ca 0.13 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.85 2jqj s VAL 87 Cb -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 2jqj s VAL 87 CO 0.10 0.01 1.58 0.44 0.00 0.00 0.00 175.10 177.23 2jqj h ASP 88 N 6.24 -1.31 0.00 3.32 3.32 -2.04 -3.15 116.42 122.81 2jqj h ASP 88 Ca -0.26 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2jqj h ASP 88 Cb 1.20 0.56 0.00 0.00 0.22 0.00 0.00 39.33 41.31 2jqj h ASP 88 CO 0.51 -0.38 0.00 0.59 -1.72 0.00 0.00 179.24 178.24 2jqj n ASN 89 N -5.42 0.00 -3.82 6.45 4.13 -1.26 -4.89 115.26 110.45 2jqj n ASN 89 Ca -0.02 0.74 -0.11 0.00 1.68 0.00 0.00 54.58 56.88 2jqj n ASN 89 Cb 0.35 -0.24 -0.08 0.00 -1.54 0.00 0.00 39.78 38.27 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 -1.98 0.02 -0.07 3.10 0.40 -1.19 -5.14 117.98 113.12 2jqj s PHE 90 Ca 0.00 -0.23 -0.27 0.00 -0.60 0.00 0.00 56.93 55.83 2jqj s PHE 90 Cb 0.00 0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.51 2jqj s PHE 90 CO 0.00 -0.46 0.87 1.14 0.70 0.00 0.00 175.22 177.47 2jqj s GLN 91 N -2.67 4.45 -0.08 0.44 -2.07 -1.26 -4.08 119.66 114.39 2jqj s GLN 91 Ca -0.04 1.17 0.04 0.00 -1.82 0.00 0.00 55.36 54.70 2jqj s GLN 91 Cb -0.01 -3.49 -0.02 0.00 -1.09 0.00 0.00 33.01 28.41 2jqj s GLN 91 CO -0.04 -0.12 -0.19 0.50 -1.32 0.00 0.00 175.29 174.12 2jqj s ARG 92 N 1.34 2.77 -0.05 9.60 3.52 -1.10 -5.01 118.95 130.03 2jqj s ARG 92 Ca 0.44 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 2jqj s ARG 92 Cb -0.19 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.83 2jqj s ARG 92 CO 0.20 0.39 -0.09 -0.80 -0.81 0.00 0.00 175.30 174.20 2jqj s ASN 93 N -0.16 4.49 -0.01 -2.12 0.01 -1.26 -1.45 114.94 114.44 2jqj s ASN 93 Ca -0.02 -0.08 0.03 0.00 -0.71 0.00 0.00 52.86 52.08 2jqj s ASN 93 Cb -0.14 -1.07 -0.01 0.00 0.41 0.00 0.00 41.25 40.44 2jqj s ASN 93 CO 0.04 0.35 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.65 2jqj s LEU 94 N -0.88 1.99 -0.05 0.60 2.96 -1.18 -5.00 118.68 117.12 2jqj s LEU 94 Ca 0.13 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 2jqj s LEU 94 Cb -0.11 -0.54 -0.00 0.00 0.50 0.00 0.00 46.19 46.04 2jqj s LEU 94 CO 0.02 0.12 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.36 2jqj s ILE 95 N -0.19 1.53 0.01 6.68 1.09 -1.12 -3.04 121.20 126.16 2jqj s ILE 95 Ca 0.03 -0.76 0.05 0.00 -1.10 0.00 0.00 60.65 58.87 2jqj s ILE 95 Cb -0.05 -1.32 -0.03 0.00 -1.06 0.00 0.00 42.46 40.00 2jqj s ILE 95 CO -0.00 0.44 -0.14 0.21 -0.10 0.00 0.00 174.94 175.35 2jqj s ASN 96 N 0.10 4.12 -0.14 3.58 2.47 -0.86 0.11 114.94 124.31 2jqj s ASN 96 Ca -0.06 -0.29 -0.03 0.00 0.42 0.00 0.00 52.86 52.89 2jqj s ASN 96 Cb -0.13 -0.81 -0.03 0.00 -1.45 0.00 0.00 41.25 38.84 2jqj s ASN 96 CO 0.03 0.28 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.97 2jqj s VAL 97 N -0.92 3.95 -0.10 -5.21 1.01 -0.29 -1.30 120.40 117.54 2jqj s VAL 97 Ca 0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 2jqj s VAL 97 Cb -0.11 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.58 2jqj s VAL 97 CO 0.05 0.51 -0.07 -0.63 0.00 0.00 0.00 175.10 174.96 2jqj s ILE 98 N 0.16 0.97 0.13 2.22 1.09 0.28 -2.94 121.20 123.12 2jqj s ILE 98 Ca -0.01 -0.27 -0.24 0.00 -1.10 0.00 0.00 60.65 59.02 2jqj s ILE 98 Cb -0.14 -0.99 -0.07 0.00 -1.06 0.00 0.00 42.46 40.20 2jqj s ILE 98 CO 0.03 0.35 0.75 1.51 -0.10 0.00 0.00 174.94 177.48 2jqj s ASP 99 N 1.60 7.32 -0.01 3.58 1.47 -1.26 -0.76 116.67 128.61 2jqj s ASP 99 Ca 0.03 1.56 0.21 0.00 1.18 0.00 0.00 52.55 55.53 2jqj s ASP 99 Cb -0.13 -2.48 0.36 0.00 -0.34 0.00 0.00 42.92 40.33 2jqj s ASP 99 CO -0.07 0.19 1.14 0.29 0.68 0.00 0.00 175.17 177.40 2jqj n LYS 100 N 1.81 0.08 -3.65 2.11 4.76 -0.92 -4.93 118.16 117.42 2jqj n LYS 100 Ca -0.06 -1.88 -0.14 0.00 -2.87 0.00 0.00 58.31 53.36 2jqj n LYS 100 Cb 0.49 0.03 -0.07 0.00 -1.84 0.00 0.00 35.03 33.64 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 -1.89 -0.36 -0.46 4.39 0.01 -1.09 -4.52 113.70 109.78 2jqj s SER 101 Ca 0.28 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.78 2jqj s SER 101 Cb 0.32 0.42 0.53 0.00 0.21 0.00 0.00 66.02 67.50 2jqj s SER 101 CO -0.14 -0.59 1.74 0.54 0.41 0.00 0.00 173.24 175.20 2jqj n ARG 102 N 0.82 2.47 -0.01 12.44 5.12 -1.26 -4.49 116.66 131.76 2jqj n ARG 102 Ca -0.20 -3.31 -0.10 0.00 -1.93 0.00 0.00 57.85 52.31 2jqj n ARG 102 Cb 0.58 -2.14 -0.14 0.00 -1.16 0.00 0.00 32.46 29.61 2jqj n ARG 102 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2jqj h ASN 103 N 1.49 0.06 0.00 0.55 4.21 -1.96 -3.50 115.58 116.42 2jqj h ASN 103 Ca 0.49 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.88 2jqj h ASN 103 Cb 1.72 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.90 2jqj h ASN 103 CO 1.03 1.10 0.00 0.61 -1.29 0.00 0.00 177.43 178.88 2jqj n GLY 104 N 1.59 3.07 2.94 2.83 0.00 -1.26 -4.74 105.19 109.61 2jqj n GLY 104 Ca -0.17 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 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 0.81 -0.21 2.61 2.01 -1.26 -1.48 115.64 118.12 2jqj s THR 105 Ca 0.00 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.75 2jqj s THR 105 Cb 0.00 -0.80 0.04 0.00 0.01 0.00 0.00 72.50 71.76 2jqj s THR 105 CO 0.00 0.29 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.72 2jqj s PHE 106 N 0.93 2.88 -0.08 4.92 0.40 -0.59 -4.44 117.98 121.99 2jqj s PHE 106 Ca -0.10 -1.89 0.01 0.00 -0.60 0.00 0.00 56.93 54.34 2jqj s PHE 106 Cb -0.15 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 2jqj s PHE 106 CO 0.01 -0.82 -0.09 -1.50 0.70 0.00 0.00 175.22 173.52 2jqj s ILE 107 N 1.24 3.50 -1.76 0.64 1.10 -0.89 -0.14 121.20 124.89 2jqj s ILE 107 Ca -0.02 -0.54 0.00 0.00 -0.51 0.00 0.00 60.65 59.58 2jqj s ILE 107 Cb -0.16 -2.44 0.00 0.00 0.15 0.00 0.00 42.46 40.01 2jqj s ILE 107 CO -0.09 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.91 2jqj n ASN 108 N 2.59 -5.41 0.00 4.50 5.03 0.20 -1.28 115.26 120.88 2jqj n ASN 108 Ca -0.18 0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.42 2jqj n ASN 108 Cb 0.53 -4.50 0.00 0.00 -1.02 0.00 0.00 39.78 34.78 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 -0.89 0.32 3.12 7.41 0.00 -1.26 -4.98 105.19 108.92 2jqj n GLY 109 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.06 1.20 0.12 1.61 0.01 -0.40 -5.12 114.94 110.28 2jqj s ASN 110 Ca 0.00 -0.66 -0.30 0.00 -0.71 0.00 0.00 52.86 51.19 2jqj s ASN 110 Cb 0.00 0.02 -0.06 0.00 0.41 0.00 0.00 41.25 41.61 2jqj s ASN 110 CO 0.00 -0.21 1.14 -0.13 -1.51 0.00 0.00 177.10 176.40 2jqj s ARG 111 N -2.07 4.51 0.25 -0.60 0.52 -1.26 -2.10 118.95 118.20 2jqj s ARG 111 Ca -0.03 1.74 -0.23 0.00 -0.52 0.00 0.00 55.73 56.68 2jqj s ARG 111 Cb -0.07 -3.32 -0.09 0.00 0.52 0.00 0.00 34.95 31.99 2jqj s ARG 111 CO 0.00 -0.09 0.82 -0.48 0.02 0.00 0.00 175.30 175.57 2jqj s LEU 112 N 0.36 4.40 -0.03 2.53 2.34 -1.26 -4.97 118.68 122.04 2jqj s LEU 112 Ca 0.54 1.64 0.05 0.00 0.06 0.00 0.00 54.13 56.41 2jqj s LEU 112 Cb -0.29 -3.70 0.07 0.00 -0.56 0.00 0.00 46.19 41.71 2jqj s LEU 112 CO 0.32 0.03 0.92 0.55 -1.06 0.00 0.00 176.35 177.11 2jqj n VAL 113 N 0.84 0.79 -4.64 1.48 3.14 -1.26 -5.07 118.33 113.61 2jqj n VAL 113 Ca -0.01 -0.89 -0.28 0.00 -2.96 0.00 0.00 64.34 60.20 2jqj n VAL 113 Cb 0.50 0.43 -0.06 0.00 -1.06 0.00 0.00 33.84 33.65 2jqj n VAL 113 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2jqj n LYS 114 N -0.52 0.85 -0.05 1.45 4.01 -1.26 -5.07 118.16 117.57 2jqj n LYS 114 Ca 0.04 -3.27 -0.05 0.00 -0.51 0.00 0.00 58.31 54.53 2jqj n LYS 114 Cb 0.50 1.02 -0.08 0.00 -0.51 0.00 0.00 35.03 35.96 2jqj n LYS 114 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2jqj n LYS 115 N -1.08 2.30 -3.65 1.97 5.02 -1.26 -4.80 118.16 116.68 2jqj n LYS 115 Ca -0.16 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.78 2jqj n LYS 115 Cb 0.57 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.35 4.05 -4.75 4.39 2.03 -1.26 -4.54 116.55 114.12 2jqj n ASP 116 Ca -0.16 -3.19 -0.40 0.00 0.52 0.00 0.00 54.79 51.57 2jqj n ASP 116 Cb 0.80 -0.98 -0.06 0.00 -0.72 0.00 0.00 41.12 40.17 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 -1.55 3.95 -0.33 -0.67 6.14 -1.15 -4.92 117.35 118.81 2jqj s TYR 117 Ca 0.28 1.85 -0.14 0.00 0.64 0.00 0.00 57.07 59.70 2jqj s TYR 117 Cb -0.04 -2.95 -0.02 0.00 0.42 0.00 0.00 41.96 39.37 2jqj s TYR 117 CO -0.12 0.44 0.30 -1.50 0.64 0.00 0.00 175.55 175.31 2jqj s ILE 118 N -1.03 5.23 -0.16 3.14 1.10 -1.26 -1.13 121.20 127.08 2jqj s ILE 118 Ca 0.41 -0.02 -0.07 0.00 -0.51 0.00 0.00 60.65 60.46 2jqj s ILE 118 Cb -0.25 -3.75 -0.04 0.00 0.15 0.00 0.00 42.46 38.57 2jqj s ILE 118 CO 0.31 -0.02 0.07 -0.22 -2.11 0.00 0.00 174.94 172.97 2jqj s LEU 119 N 1.88 3.92 0.35 8.50 0.20 0.29 -4.97 118.68 128.86 2jqj s LEU 119 Ca 0.09 0.17 0.05 0.00 0.69 0.00 0.00 54.13 55.13 2jqj s LEU 119 Cb -0.17 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.59 2jqj s LEU 119 CO 0.11 0.24 0.21 -0.54 -0.29 0.00 0.00 176.35 176.08 2jqj s LYS 120 N -0.02 1.79 0.30 1.98 1.02 -1.26 -2.80 119.74 120.75 2jqj s LYS 120 Ca 0.07 -2.06 -0.28 0.00 0.02 0.00 0.00 55.97 53.72 2jqj s LYS 120 Cb -0.12 -0.05 -0.14 0.00 -0.52 0.00 0.00 37.83 37.00 2jqj s LYS 120 CO 0.01 -0.57 1.06 -1.71 -0.92 0.00 0.00 175.35 173.22 2jqj n ASN 121 N -1.38 1.54 -2.15 2.83 2.85 -1.26 -3.13 115.26 114.57 2jqj n ASN 121 Ca 0.02 1.18 -0.08 0.00 -0.11 0.00 0.00 54.58 55.59 2jqj n ASN 121 Cb 0.64 -1.32 0.04 0.00 1.24 0.00 0.00 39.78 40.37 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jqj n GLY 122 N 1.14 0.05 3.19 8.20 0.00 -0.91 -5.03 105.19 111.83 2jqj n GLY 122 Ca 0.09 -0.16 -0.31 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 -3.56 2.87 -0.24 1.61 1.11 -1.16 -4.98 116.67 112.32 2jqj s ASP 123 Ca 0.03 -0.52 -0.12 0.00 0.18 0.00 0.00 52.55 52.12 2jqj s ASP 123 Cb -0.00 -1.31 -0.05 0.00 1.07 0.00 0.00 42.92 42.63 2jqj s ASP 123 CO 0.34 0.14 0.24 -0.60 1.18 0.00 0.00 175.17 176.47 2jqj s ARG 124 N 0.39 4.08 -0.08 8.23 3.52 -1.26 -0.34 118.95 133.48 2jqj s ARG 124 Ca -0.18 -0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.32 2jqj s ARG 124 Cb -0.18 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 2jqj s ARG 124 CO 0.08 -0.02 -0.16 0.42 -0.81 0.00 0.00 175.30 174.81 2jqj s ILE 125 N 1.29 2.82 -0.06 4.11 1.09 0.22 0.59 121.20 131.25 2jqj s ILE 125 Ca 0.11 -0.78 0.04 0.00 -1.10 0.00 0.00 60.65 58.92 2jqj s ILE 125 Cb -0.14 -2.12 -0.00 0.00 -1.06 0.00 0.00 42.46 39.13 2jqj s ILE 125 CO 0.07 0.56 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.58 2jqj s VAL 126 N -0.15 1.63 -0.03 2.92 1.01 0.80 -0.52 120.40 126.05 2jqj s VAL 126 Ca -0.02 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2jqj s VAL 126 Cb -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2jqj s VAL 126 CO 0.04 0.46 -0.09 -0.36 0.00 0.00 0.00 175.10 175.15 2jqj s PHE 127 N 0.11 1.01 0.00 5.22 0.08 0.45 -1.54 117.98 123.31 2jqj s PHE 127 Ca -0.07 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2jqj s PHE 127 Cb -0.13 -0.74 0.00 0.00 -0.57 0.00 0.00 43.02 41.57 2jqj s PHE 127 CO 0.04 -0.13 0.00 0.41 -0.10 0.00 0.00 175.22 175.43 2jqj n GLY 128 N 3.44 1.39 2.10 4.36 0.00 -0.55 -2.30 105.19 113.64 2jqj n GLY 128 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.37 0.22 1.61 5.02 -1.24 -4.80 118.16 116.61 2jqj n LYS 129 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2jqj n LYS 129 Cb 0.00 -4.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.93 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 1.12 -3.19 -4.60 4.39 3.41 -1.22 -5.07 113.62 108.46 2jqj n SER 130 Ca -0.05 0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 58.95 2jqj n SER 130 Cb 0.46 3.02 -0.03 0.00 -0.26 0.00 0.00 64.21 67.40 2jqj n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqj s SER 132 N 8.17 3.03 0.04 0.00 1.04 -1.26 -0.41 113.70 124.31 2jqj s SER 132 Ca 0.96 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 56.79 2jqj s SER 132 Cb -0.29 -1.39 -0.02 0.00 0.10 0.00 0.00 66.02 64.42 2jqj s SER 132 CO 0.34 0.12 0.04 0.72 0.98 0.00 0.00 173.24 175.44 2jqj s PHE 133 N 0.55 0.31 -0.05 5.02 -0.71 0.32 -1.44 117.98 121.98 2jqj s PHE 133 Ca -0.14 -0.70 0.03 0.00 -1.04 0.00 0.00 56.93 55.08 2jqj s PHE 133 Cb -0.17 -0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.39 2jqj s PHE 133 CO 0.04 -0.35 -0.13 -1.17 -1.34 0.00 0.00 175.22 172.28 2jqj s LEU 134 N -2.31 2.83 -0.07 -1.99 0.20 -0.38 0.72 118.68 117.67 2jqj s LEU 134 Ca -0.02 -0.16 -0.03 0.00 0.69 0.00 0.00 54.13 54.61 2jqj s LEU 134 Cb 0.01 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 2jqj s LEU 134 CO -0.06 0.35 0.06 0.12 -0.29 0.00 0.00 176.35 176.52 2jqj s PHE 135 N -0.75 3.30 0.11 5.38 2.19 0.53 -1.83 117.98 126.92 2jqj s PHE 135 Ca 0.12 0.28 -0.18 0.00 0.33 0.00 0.00 56.93 57.48 2jqj s PHE 135 Cb -0.11 -1.81 0.04 0.00 -1.31 0.00 0.00 43.02 39.83 2jqj s PHE 135 CO 0.01 0.56 0.44 -1.59 1.83 0.00 0.00 175.22 176.47 2jqj s LYS 136 N -1.15 1.08 0.13 10.12 -2.85 -1.05 -2.14 119.74 123.87 2jqj s LYS 136 Ca 0.16 -0.60 -0.23 0.00 -1.00 0.00 0.00 55.97 54.31 2jqj s LYS 136 Cb -0.12 0.48 -0.07 0.00 -2.06 0.00 0.00 37.83 36.06 2jqj s LYS 136 CO 0.06 -0.42 0.70 0.71 0.10 0.00 0.00 175.35 176.49 2jqj s TYR 137 N -3.53 3.86 -0.47 1.78 2.02 -1.26 -0.29 117.35 119.46 2jqj s TYR 137 Ca 0.01 1.49 0.03 0.00 -0.37 0.00 0.00 57.07 58.24 2jqj s TYR 137 Cb 0.01 -2.67 0.51 0.00 -0.40 0.00 0.00 41.96 39.41 2jqj s TYR 137 CO -0.10 0.53 1.74 0.00 -1.57 0.00 0.00 175.55 176.15 2jqj n ALA 138 N 1.69 5.51 -1.99 3.71 0.00 0.19 -4.46 120.51 125.16 2jqj n ALA 138 Ca -0.07 -3.34 0.02 0.00 0.00 0.00 0.00 53.44 50.05 2jqj n ALA 138 Cb 0.49 -1.22 0.12 0.00 0.00 0.00 0.00 19.45 18.85 2jqj n ALA 138 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jqj n SER 139 N -0.98 1.81 -2.68 0.00 2.88 -1.25 -4.91 113.62 108.49 2jqj n SER 139 Ca 0.53 -3.19 -0.00 0.00 -1.33 0.00 0.00 58.87 54.87 2jqj n SER 139 Cb 1.03 -0.44 -0.00 0.00 -0.75 0.00 0.00 64.21 64.05 2jqj n SER 139 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jqj n SER 140 N -0.55 -7.40 -3.92 -3.46 7.64 -1.26 -5.04 113.62 99.63 2jqj n SER 140 Ca 0.17 1.41 -0.25 0.00 1.01 0.00 0.00 58.87 61.20 2jqj n SER 140 Cb 0.87 -5.26 -0.17 0.00 -1.01 0.00 0.00 64.21 58.64 2jqj n SER 140 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jqj s SER 141 N -1.54 1.92 0.12 6.43 0.01 -1.26 -5.14 113.70 114.25 2jqj s SER 141 Ca -0.02 -0.27 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 2jqj s SER 141 Cb 0.00 -0.77 -0.06 0.00 0.21 0.00 0.00 66.02 65.40 2jqj s SER 141 CO 0.77 -0.08 0.39 -0.94 0.41 0.00 0.00 173.24 173.79 2jqj s SER 142 N 1.39 6.55 -0.10 2.44 1.04 -1.26 -5.03 113.70 118.73 2jqj s SER 142 Ca -0.01 0.68 0.01 0.00 0.48 0.00 0.00 55.95 57.11 2jqj s SER 142 Cb -0.13 -2.13 0.02 0.00 0.10 0.00 0.00 66.02 63.87 2jqj s SER 142 CO -0.04 0.10 -0.13 0.28 0.98 0.00 0.00 173.24 174.42 2jqj s THR 143 N -1.56 1.36 0.28 2.02 -1.32 -1.26 -5.14 115.64 110.02 2jqj s THR 143 Ca 0.38 -0.55 0.03 0.00 -1.21 0.00 0.00 61.69 60.34 2jqj s THR 143 Cb -0.13 -1.26 0.03 0.00 -1.51 0.00 0.00 72.50 69.64 2jqj s THR 143 CO 0.22 0.41 0.26 0.47 -2.21 0.00 0.00 174.62 173.76 2jqj n ASP 144 N 4.27 1.67 -1.93 8.08 8.00 -1.26 -5.02 116.55 130.36 2jqj n ASP 144 Ca -0.19 -1.91 -0.07 0.00 0.71 0.00 0.00 54.79 53.33 2jqj n ASP 144 Cb 0.51 -0.07 0.28 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.27 2.93 -3.14 0.53 2.08 -1.26 -4.73 119.36 114.49 2jqj n ILE 145 Ca 0.01 -1.75 0.04 0.00 0.56 0.00 0.00 62.75 61.61 2jqj n ILE 145 Cb 0.31 -0.36 -0.00 0.00 -0.75 0.00 0.00 39.64 38.84 2jqj n ILE 145 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2jqj s GLU 146 N -3.04 0.50 0.32 0.38 -6.30 -1.26 -5.03 118.70 104.27 2jqj s GLU 146 Ca 0.54 0.33 0.00 0.00 -2.50 0.00 0.00 54.97 53.34 2jqj s GLU 146 Cb 0.44 0.18 0.54 0.00 0.00 0.00 0.00 34.13 35.29 2jqj s GLU 146 CO 0.12 -0.89 1.98 -0.91 0.02 0.00 0.00 175.26 175.58 2jqj h ASN 147 N 7.60 0.85 -4.17 -1.70 -0.26 -2.03 -3.42 115.58 112.45 2jqj h ASN 147 Ca -0.02 -0.02 -0.49 0.00 -0.56 0.00 0.00 56.30 55.21 2jqj h ASN 147 Cb 1.19 -0.21 0.06 0.00 -1.06 0.00 0.00 38.32 38.30 2jqj h ASN 147 CO 0.09 0.61 0.38 -0.62 -1.06 0.00 0.00 177.43 176.82 2jqj s ASP 148 N -6.32 5.83 -0.17 5.81 -1.08 -1.26 -5.07 116.67 114.41 2jqj s ASP 148 Ca -0.11 1.87 -0.10 0.00 -0.52 0.00 0.00 52.55 53.69 2jqj s ASP 148 Cb 0.18 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 39.15 2jqj s ASP 148 CO 0.78 -1.13 0.42 -1.81 0.52 0.00 0.00 175.17 173.95 2jqj s ASP 149 N -2.56 -0.51 0.00 -0.34 1.01 -1.26 -5.00 116.67 108.01 2jqj s ASP 149 Ca 0.65 0.90 0.00 0.00 0.71 0.00 0.00 52.55 54.81 2jqj s ASP 149 Cb -0.17 0.80 0.00 0.00 1.01 0.00 0.00 42.92 44.56 2jqj s ASP 149 CO 0.33 -0.19 0.00 1.21 0.21 0.00 0.00 175.17 176.74 2jqj n GLU 150 N 4.01 0.00 -2.29 8.23 4.07 -1.26 -5.11 120.64 128.28 2jqj n GLU 150 Ca -0.21 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.46 2jqj n GLU 150 Cb 0.56 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.91 2jqj n GLU 150 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2jqj s LYS 151 N -1.08 4.00 -0.17 5.31 2.20 -1.26 -5.00 119.74 123.74 2jqj s LYS 151 Ca 0.00 1.58 0.01 0.00 -0.36 0.00 0.00 55.97 57.19 2jqj s LYS 151 Cb 0.00 -3.90 0.02 0.00 -1.51 0.00 0.00 37.83 32.44 2jqj s LYS 151 CO 0.00 -1.02 -0.17 0.14 -0.36 0.00 0.00 175.35 173.94 2jqj s VAL 152 N 4.31 1.84 -0.06 4.02 -7.23 -1.26 -5.03 120.40 116.99 2jqj s VAL 152 Ca 0.62 -0.80 -0.09 0.00 -1.81 0.00 0.00 61.98 59.89 2jqj s VAL 152 Cb -0.22 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 2jqj s VAL 152 CO 0.23 0.50 0.38 0.28 -0.31 0.00 0.00 175.10 176.18 2jqj h SER 153 N 7.98 -0.27 -1.73 4.85 0.02 -2.02 -3.48 113.55 118.91 2jqj h SER 153 Ca -0.42 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.90 2jqj h SER 153 Cb 1.14 0.07 -0.13 0.00 0.14 0.00 0.00 62.40 63.62 2jqj h SER 153 CO 0.59 0.19 -0.62 -0.94 -1.14 0.00 0.00 176.83 174.92 2jqj s SER 154 N -5.19 3.87 -0.25 3.07 1.04 -1.26 -5.08 113.70 109.91 2jqj s SER 154 Ca -0.05 -1.31 -0.29 0.00 0.48 0.00 0.00 55.95 54.79 2jqj s SER 154 Cb 0.00 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 2jqj s SER 154 CO 0.15 -0.39 1.71 -1.61 0.98 0.00 0.00 173.24 174.07 2jqj s GLU 155 N -3.69 3.64 -0.43 4.02 2.02 -1.26 -4.92 118.70 118.09 2jqj s GLU 155 Ca 0.35 1.63 0.06 0.00 0.02 0.00 0.00 54.97 57.03 2jqj s GLU 155 Cb 0.08 -4.10 0.17 0.00 0.10 0.00 0.00 34.13 30.38 2jqj s GLU 155 CO 0.18 -1.49 0.54 -1.12 0.02 0.00 0.00 175.26 173.39 2jqj s SER 156 N 4.96 -0.33 -0.38 -0.19 0.01 -1.26 -5.10 113.70 111.42 2jqj s SER 156 Ca 0.76 -1.53 0.04 0.00 1.31 0.00 0.00 55.95 56.52 2jqj s SER 156 Cb -0.25 1.24 0.11 0.00 0.21 0.00 0.00 66.02 67.32 2jqj s SER 156 CO 0.31 -0.17 0.10 -0.13 0.41 0.00 0.00 173.24 173.77 2jqj s ARG 157 N 1.27 1.52 0.60 12.44 0.52 -1.26 -5.07 118.95 128.97 2jqj s ARG 157 Ca 0.22 -1.98 0.00 0.00 -0.52 0.00 0.00 55.73 53.45 2jqj s ARG 157 Cb -0.06 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2jqj s ARG 157 CO -0.06 -0.98 0.00 0.43 0.02 0.00 0.00 175.30 174.70 2jqj n SER 158 N 4.04 -8.17 -0.26 0.23 7.64 -1.26 -5.35 113.62 110.50 2jqj n SER 158 Ca 0.04 1.31 0.03 0.00 1.01 0.00 0.00 58.87 61.26 2jqj n SER 158 Cb 0.40 -3.68 0.03 0.00 -1.01 0.00 0.00 64.21 59.94 2jqj n SER 158 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03