#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 1.26 -0.22 1.97 0.52 -1.26 -4.73 118.95 116.49 2jqj s ARG 20 Ca 0.00 0.32 -0.09 0.00 -0.52 0.00 0.00 55.73 55.44 2jqj s ARG 20 Cb 0.00 -1.85 0.03 0.00 0.52 0.00 0.00 34.95 33.65 2jqj s ARG 20 CO 0.00 -2.12 0.18 0.94 0.02 0.00 0.00 175.30 174.32 2jqj n GLN 21 N -3.72 -4.30 -4.08 3.54 7.27 -1.26 -5.06 117.38 109.78 2jqj n GLN 21 Ca 0.07 3.28 -0.25 0.00 0.07 0.00 0.00 57.00 60.17 2jqj n GLN 21 Cb 0.59 -5.17 -0.06 0.00 2.41 0.00 0.00 30.24 28.01 2jqj n GLN 21 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2jqj s GLN 22 N -0.95 2.26 0.82 3.69 -2.07 -1.26 -5.13 119.66 117.02 2jqj s GLN 22 Ca -0.21 -1.87 -0.11 0.00 -1.82 0.00 0.00 55.36 51.35 2jqj s GLN 22 Cb 0.01 -2.01 0.08 0.00 -1.09 0.00 0.00 33.01 30.01 2jqj s GLN 22 CO 0.79 -0.21 1.09 1.03 -1.32 0.00 0.00 175.29 176.68 2jqj s ARG 23 N -3.98 1.88 -0.14 9.60 0.52 -1.26 -5.06 118.95 120.51 2jqj s ARG 23 Ca 0.39 0.98 -0.03 0.00 -0.52 0.00 0.00 55.73 56.55 2jqj s ARG 23 Cb 0.02 -1.87 0.05 0.00 0.52 0.00 0.00 34.95 33.67 2jqj s ARG 23 CO 0.22 -1.86 0.03 -1.12 0.02 0.00 0.00 175.30 172.60 2jqj s SER 24 N -3.46 2.31 0.20 0.23 0.01 -1.26 -5.12 113.70 106.60 2jqj s SER 24 Ca 0.62 -0.50 -0.14 0.00 1.31 0.00 0.00 55.95 57.23 2jqj s SER 24 Cb -0.17 -0.47 0.05 0.00 0.21 0.00 0.00 66.02 65.64 2jqj s SER 24 CO 0.56 -0.27 0.71 -0.46 0.41 0.00 0.00 173.24 174.19 2jqj n ASN 25 N 5.13 -1.46 -3.80 2.44 0.23 -1.26 -5.18 115.26 111.36 2jqj n ASN 25 Ca -0.08 -1.87 -0.13 0.00 -0.53 0.00 0.00 54.58 51.97 2jqj n ASN 25 Cb 0.48 2.41 -0.14 0.00 -2.08 0.00 0.00 39.78 40.45 2jqj n ASN 25 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2jqj s LYS 26 N -2.05 0.07 0.80 -3.83 2.36 -1.26 -5.15 119.74 110.67 2jqj s LYS 26 Ca 0.15 0.21 -0.14 0.00 -2.55 0.00 0.00 55.97 53.64 2jqj s LYS 26 Cb -0.03 -0.08 0.05 0.00 -1.05 0.00 0.00 37.83 36.72 2jqj s LYS 26 CO 0.06 -0.09 1.03 -2.30 1.55 0.00 0.00 175.35 175.60 2jqj n PRO 27 N 3.63 0.22 -3.37 4.03 -0.02 -1.26 -5.02 135.00 133.21 2jqj n PRO 27 Ca -0.20 0.14 -0.02 0.00 -2.02 0.00 0.00 63.50 61.41 2jqj n PRO 27 Cb 0.55 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.75 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 -2.53 -1.32 -4.34 2.55 2.88 -1.26 -5.16 113.62 104.43 2jqj n SER 28 Ca 0.13 -1.66 -0.29 0.00 -1.33 0.00 0.00 58.87 55.72 2jqj n SER 28 Cb 0.50 2.14 0.24 0.00 -0.75 0.00 0.00 64.21 66.34 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 -2.95 1.04 0.00 -3.46 0.01 -1.26 -4.96 113.70 102.13 2jqj s SER 29 Ca 0.19 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2jqj s SER 29 Cb -0.02 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2jqj s SER 29 CO 0.04 -4.12 0.00 -0.62 0.41 0.00 0.00 173.24 168.95 2jqj n GLU 30 N -4.84 0.00 0.00 12.44 1.02 -1.26 -5.11 120.64 122.90 2jqj n GLU 30 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2jqj n GLU 30 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 2jqj n GLU 30 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jqj n TYR 31 N -1.67 0.00 -3.76 -0.32 4.01 -1.26 -5.02 117.16 109.15 2jqj n TYR 31 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 2jqj n TYR 31 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 2jqj n TYR 31 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jqj s THR 32 N 0.00 -0.07 0.04 -0.72 2.01 -1.26 -5.04 115.64 110.60 2jqj s THR 32 Ca 0.00 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2jqj s THR 32 Cb 0.00 -0.10 -0.09 0.00 0.01 0.00 0.00 72.50 72.32 2jqj s THR 32 CO 0.00 0.10 1.97 0.00 -0.69 0.00 0.00 174.62 176.00 2jqj n LEU 34 N 7.47 1.49 0.00 0.00 7.99 -1.12 -4.80 117.00 128.03 2jqj n LEU 34 Ca 0.20 -0.01 -0.02 0.00 -0.01 0.00 0.00 56.01 56.17 2jqj n LEU 34 Cb 0.41 -0.03 0.02 0.00 -0.11 0.00 0.00 43.42 43.70 2jqj n LEU 34 CO 0.68 0.32 0.65 0.61 -1.51 0.00 0.00 177.39 178.14 2jqj n GLY 35 N 3.06 0.74 3.20 -0.72 0.00 -1.15 -2.37 105.19 107.94 2jqj n GLY 35 Ca -0.06 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.88 1.05 -0.18 1.61 3.76 -0.74 -1.07 115.29 116.83 2jqj s HIS 36 Ca 0.18 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 53.91 2jqj s HIS 36 Cb -0.02 -0.59 0.04 0.00 1.11 0.00 0.00 32.58 33.12 2jqj s HIS 36 CO 0.04 -0.43 -0.07 -0.51 -0.85 0.00 0.00 174.74 172.92 2jqj s LEU 37 N -3.12 1.89 -0.25 0.89 1.43 0.51 -2.99 118.68 117.04 2jqj s LEU 37 Ca 0.27 -0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2jqj s LEU 37 Cb 0.07 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 2jqj s LEU 37 CO 0.05 -0.17 0.35 -0.69 0.23 0.00 0.00 176.35 176.12 2jqj s VAL 38 N 1.54 5.20 0.09 -1.59 1.01 -0.63 -1.18 120.40 124.85 2jqj s VAL 38 Ca -0.00 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.37 2jqj s VAL 38 Cb -0.16 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2jqj s VAL 38 CO -0.08 0.20 0.53 0.20 0.00 0.00 0.00 175.10 175.95 2jqj s ASN 39 N 1.46 6.92 -0.39 3.32 0.01 0.16 -0.50 114.94 125.92 2jqj s ASN 39 Ca 0.15 1.14 -0.08 0.00 -0.71 0.00 0.00 52.86 53.35 2jqj s ASN 39 Cb -0.15 -2.31 0.06 0.00 0.41 0.00 0.00 41.25 39.26 2jqj s ASN 39 CO 0.09 0.21 0.21 -0.76 -1.51 0.00 0.00 177.10 175.35 2jqj s LEU 40 N -1.46 4.90 -0.02 0.60 1.43 -0.16 -2.42 118.68 121.55 2jqj s LEU 40 Ca 0.32 -1.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.09 2jqj s LEU 40 Cb -0.17 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2jqj s LEU 40 CO 0.18 -0.47 -0.20 -0.63 0.23 0.00 0.00 176.35 175.46 2jqj s ILE 41 N 1.42 1.60 0.60 -0.59 1.01 -0.69 -4.68 121.20 119.87 2jqj s ILE 41 Ca 0.02 -0.85 0.29 0.00 0.00 0.00 0.00 60.65 60.11 2jqj s ILE 41 Cb -0.22 -1.34 0.37 0.00 0.01 0.00 0.00 42.46 41.29 2jqj s ILE 41 CO 0.02 0.45 1.88 -0.65 0.00 0.00 0.00 174.94 176.65 2jqj h PRO 42 N 5.79 0.00 0.08 2.79 0.11 -2.02 -0.04 132.00 138.71 2jqj h PRO 42 Ca -0.37 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.45 2jqj h PRO 42 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2jqj h PRO 42 CO 0.48 0.00 -1.54 0.78 -0.21 0.00 0.00 178.00 177.51 2jqj h GLY 43 N 0.00 0.18 0.00 -0.55 0.00 -2.02 -3.50 103.07 97.19 2jqj h GLY 43 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2jqj h GLY 43 CO -0.00 0.41 0.00 1.17 0.00 0.00 0.00 176.54 178.12 2jqj n LYS 44 N -3.35 -2.00 -4.15 4.80 4.81 -0.03 -5.17 118.16 113.07 2jqj n LYS 44 Ca -0.15 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.04 2jqj n LYS 44 Cb 1.03 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 36.02 2jqj n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2jqj s GLU 45 N -1.02 2.72 -0.07 1.64 2.02 -1.26 -1.70 118.70 121.02 2jqj s GLU 45 Ca 0.00 -1.07 -0.01 0.00 0.02 0.00 0.00 54.97 53.91 2jqj s GLU 45 Cb 0.00 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.78 2jqj s GLU 45 CO 0.00 0.43 -0.00 -1.14 0.02 0.00 0.00 175.26 174.57 2jqj s GLN 46 N -3.43 0.63 -0.21 1.61 0.74 -1.02 -4.94 119.66 113.03 2jqj s GLN 46 Ca 0.31 0.10 -0.10 0.00 0.05 0.00 0.00 55.36 55.72 2jqj s GLN 46 Cb -0.09 -0.98 -0.05 0.00 1.10 0.00 0.00 33.01 33.00 2jqj s GLN 46 CO 0.22 -0.30 0.13 0.15 -0.55 0.00 0.00 175.29 174.94 2jqj s LYS 47 N 1.94 4.11 -0.02 1.67 -0.14 -1.26 0.37 119.74 126.41 2jqj s LYS 47 Ca 0.05 -0.26 0.07 0.00 -1.36 0.00 0.00 55.97 54.46 2jqj s LYS 47 Cb -0.12 -3.42 -0.02 0.00 -1.68 0.00 0.00 37.83 32.59 2jqj s LYS 47 CO -0.05 0.21 -0.23 0.08 -0.76 0.00 0.00 175.35 174.60 2jqj s VAL 48 N 0.61 1.80 -0.16 3.17 1.01 -0.32 -4.95 120.40 121.56 2jqj s VAL 48 Ca 0.07 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 2jqj s VAL 48 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2jqj s VAL 48 CO 0.01 0.51 0.47 -1.83 0.00 0.00 0.00 175.10 174.25 2jqj s GLU 49 N -0.51 4.26 -0.10 2.72 -1.05 -1.26 -0.36 118.70 122.40 2jqj s GLU 49 Ca 0.08 0.38 0.02 0.00 -0.15 0.00 0.00 54.97 55.30 2jqj s GLU 49 Cb -0.09 -3.49 -0.01 0.00 -0.44 0.00 0.00 34.13 30.10 2jqj s GLU 49 CO -0.01 0.03 -0.17 -1.50 0.95 0.00 0.00 175.26 174.57 2jqj s ILE 50 N 1.04 2.72 0.40 1.83 2.07 -0.23 -4.97 121.20 124.07 2jqj s ILE 50 Ca 0.24 -0.80 0.06 0.00 -1.41 0.00 0.00 60.65 58.74 2jqj s ILE 50 Cb -0.15 -2.10 0.00 0.00 0.13 0.00 0.00 42.46 40.35 2jqj s ILE 50 CO 0.09 0.55 0.56 0.42 -1.91 0.00 0.00 174.94 174.65 2jqj s THR 51 N 0.13 3.43 0.00 4.00 -4.23 -1.26 -2.78 115.64 114.93 2jqj s THR 51 Ca -0.09 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2jqj s THR 51 Cb -0.15 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.50 2jqj s THR 51 CO 0.05 -0.08 0.00 -0.46 -0.54 0.00 0.00 174.62 173.59 2jqj n ASN 52 N -1.84 0.00 0.00 3.99 0.23 -1.20 -4.83 115.26 111.61 2jqj n ASN 52 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.10 2jqj n ASN 52 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.00 0.00 0.00 -3.83 0.63 -1.26 -4.03 116.66 108.17 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 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.44 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 0.00 0.00 -3.95 6.15 2.85 -0.87 -4.81 115.26 114.63 2jqj n ASN 54 Ca 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.31 2jqj n ASN 54 Cb 0.00 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 40.87 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jqj s VAL 55 N 0.00 0.42 -0.08 3.44 1.01 -1.26 -1.86 120.40 122.08 2jqj s VAL 55 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2jqj s VAL 55 Cb 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.01 2jqj s VAL 55 CO 0.00 0.13 -0.17 -0.89 0.00 0.00 0.00 175.10 174.17 2jqj s THR 56 N 0.05 1.49 -0.10 3.92 2.01 0.55 -4.86 115.64 118.70 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 -0.04 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 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 0.49 4.81 -0.05 -0.82 -4.23 -1.26 -0.25 115.64 114.34 2jqj s THR 57 Ca -0.15 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 2jqj s THR 57 Cb -0.16 -3.06 0.02 0.00 1.34 0.00 0.00 72.50 70.63 2jqj s THR 57 CO 0.05 0.61 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.04 2jqj s ILE 58 N -0.91 0.77 0.00 2.99 1.09 -0.86 0.16 121.20 124.43 2jqj s ILE 58 Ca 0.14 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.41 2jqj s ILE 58 Cb -0.12 -0.74 0.00 0.00 -1.06 0.00 0.00 42.46 40.55 2jqj s ILE 58 CO 0.03 0.27 0.00 0.61 -0.10 0.00 0.00 174.94 175.75 2jqj n GLY 59 N 3.83 -0.51 0.13 6.18 0.00 -0.99 -3.06 105.19 110.76 2jqj n GLY 59 Ca -0.24 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 0.63 -1.68 1.61 0.63 -1.20 -2.71 116.66 113.93 2jqj n ARG 60 Ca 0.00 0.16 -0.61 0.00 -0.92 0.00 0.00 57.85 56.47 2jqj n ARG 60 Cb 0.00 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.32 2jqj n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jqj n SER 61 N -3.33 1.86 0.19 6.15 2.88 -1.26 -4.79 113.62 115.32 2jqj n SER 61 Ca -0.45 1.05 0.16 0.00 -1.33 0.00 0.00 58.87 58.29 2jqj n SER 61 Cb 0.97 -1.04 0.77 0.00 -0.75 0.00 0.00 64.21 64.16 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 6.85 0.00 0.00 -1.46 3.08 -1.99 0.14 114.38 121.01 2jqj h ARG 62 Ca -0.42 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.57 2jqj h ARG 62 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 2jqj h ARG 62 CO 0.98 0.00 -0.28 0.77 -1.07 0.00 0.00 179.97 180.37 2jqj h SER 63 N 0.00 0.00 -2.93 7.04 0.02 -2.00 -3.45 113.55 112.22 2jqj h SER 63 Ca 0.09 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.57 2jqj h SER 63 Cb 0.43 0.00 0.22 0.00 0.14 0.00 0.00 62.40 63.20 2jqj h SER 63 CO -0.00 0.28 -0.60 0.00 -1.14 0.00 0.00 176.83 175.36 2jqj h ASP 65 N -2.10 -0.31 -3.23 0.00 5.19 0.12 -3.45 116.42 112.63 2jqj h ASP 65 Ca -0.53 -0.10 -0.65 0.00 -0.62 0.00 0.00 57.03 55.13 2jqj h ASP 65 Cb 1.33 0.08 -0.34 0.00 0.18 0.00 0.00 39.33 40.58 2jqj h ASP 65 CO 0.40 0.17 -0.86 -0.69 -3.12 0.00 0.00 179.24 175.14 2jqj s VAL 66 N -3.07 1.90 -0.30 -1.35 1.01 0.11 -4.93 120.40 113.76 2jqj s VAL 66 Ca -0.08 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 2jqj s VAL 66 Cb 0.01 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2jqj s VAL 66 CO 0.28 0.52 0.39 0.27 0.00 0.00 0.00 175.10 176.55 2jqj s ILE 67 N 0.84 5.15 0.00 2.22 -4.36 -1.26 -2.36 121.20 121.44 2jqj s ILE 67 Ca -0.07 0.41 0.00 0.00 -0.26 0.00 0.00 60.65 60.73 2jqj s ILE 67 Cb -0.15 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 39.79 2jqj s ILE 67 CO -0.01 0.05 0.00 0.18 0.24 0.00 0.00 174.94 175.39 2jqj n LEU 68 N 5.40 0.00 0.00 0.37 4.77 -1.10 -4.95 117.00 121.48 2jqj n LEU 68 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2jqj n LEU 68 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2jqj n LEU 68 CO 0.39 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.91 2jqj n SER 69 N 0.00 0.00 0.00 -1.43 3.41 -1.26 -5.08 113.62 109.26 2jqj n SER 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jqj n SER 69 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jqj n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jqj n GLU 70 N 0.00 0.00 -0.36 4.33 1.02 -1.26 -4.93 120.64 119.44 2jqj n GLU 70 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 2jqj n GLU 70 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.62 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2jqj h PRO 71 N 0.00 1.06 0.00 3.49 0.11 -2.00 -3.02 132.00 131.64 2jqj h PRO 71 Ca 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 2jqj h PRO 71 Cb 0.00 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 30.83 2jqj h PRO 71 CO 0.00 0.70 -0.39 -0.25 -0.21 0.00 0.00 178.00 177.85 2jqj n ASP 72 N -4.56 1.69 -4.51 -2.05 8.00 -1.26 -5.02 116.55 108.84 2jqj n ASP 72 Ca 0.17 -3.23 -0.36 0.00 0.71 0.00 0.00 54.79 52.07 2jqj n ASP 72 Cb 0.26 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jqj s ILE 73 N -2.44 4.62 0.29 0.53 1.10 -1.14 -4.99 121.20 119.18 2jqj s ILE 73 Ca 0.32 -0.07 -0.30 0.00 -0.51 0.00 0.00 60.65 60.10 2jqj s ILE 73 Cb 0.31 -3.16 -0.11 0.00 0.15 0.00 0.00 42.46 39.65 2jqj s ILE 73 CO -0.04 0.34 1.49 -0.44 -2.11 0.00 0.00 174.94 174.18 2jqj s SER 74 N 1.41 6.51 0.19 4.50 0.01 -1.26 -3.99 113.70 121.07 2jqj s SER 74 Ca 0.06 2.84 -0.09 0.00 1.31 0.00 0.00 55.95 60.06 2jqj s SER 74 Cb -0.15 -2.64 0.11 0.00 0.21 0.00 0.00 66.02 63.55 2jqj s SER 74 CO 0.05 -0.79 1.71 0.74 0.41 0.00 0.00 173.24 175.36 2jqj h THR 75 N 3.35 1.26 -0.66 1.44 2.02 -1.92 -2.56 112.91 115.84 2jqj h THR 75 Ca -0.47 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 65.77 2jqj h THR 75 Cb 1.22 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2jqj h THR 75 CO 0.75 0.36 0.00 0.49 0.37 0.00 0.00 175.52 177.49 2jqj n PHE 76 N -4.28 1.37 -0.00 3.16 3.72 -1.26 -4.37 117.46 115.81 2jqj n PHE 76 Ca 0.05 -0.57 -0.00 0.00 -0.05 0.00 0.00 57.45 56.88 2jqj n PHE 76 Cb 0.25 -0.19 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.22 -0.00 -3.69 1.38 -0.00 -0.97 -4.36 115.22 108.80 2jqj n HIS 77 Ca 0.25 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.33 2jqj n HIS 77 Cb 0.83 -0.02 -0.03 0.00 -0.12 0.00 0.00 29.99 30.64 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 -3.07 -1.07 -0.04 1.57 0.00 -1.17 -3.11 121.76 114.86 2jqj s ALA 78 Ca -0.00 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.89 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 0.00 -0.81 -0.12 -1.21 0.00 0.00 0.00 175.76 173.62 2jqj s GLU 79 N -3.85 1.40 -0.09 0.00 2.02 -0.07 -2.02 118.70 116.08 2jqj s GLU 79 Ca 0.08 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 54.69 2jqj s GLU 79 Cb -0.01 -1.23 -0.00 0.00 0.10 0.00 0.00 34.13 32.99 2jqj s GLU 79 CO -0.04 0.12 -0.23 -0.06 0.02 0.00 0.00 175.26 175.07 2jqj s PHE 80 N 0.31 2.57 -0.33 1.61 0.40 0.66 -1.38 117.98 121.82 2jqj s PHE 80 Ca -0.07 -0.92 -0.17 0.00 -0.60 0.00 0.00 56.93 55.17 2jqj s PHE 80 Cb -0.12 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 2jqj s PHE 80 CO 0.02 -0.34 0.46 -1.01 0.70 0.00 0.00 175.22 175.04 2jqj s HIS 81 N 0.22 3.21 -0.37 0.36 3.76 -0.93 0.21 115.29 121.74 2jqj s HIS 81 Ca -0.14 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.89 2jqj s HIS 81 Cb -0.17 -2.79 0.04 0.00 1.11 0.00 0.00 32.58 30.77 2jqj s HIS 81 CO 0.07 -0.44 0.17 -0.51 -0.85 0.00 0.00 174.74 173.19 2jqj s LEU 82 N 2.25 4.62 -0.04 0.89 1.02 -0.78 -2.43 118.68 124.21 2jqj s LEU 82 Ca 0.17 -1.09 0.06 0.00 0.02 0.00 0.00 54.13 53.29 2jqj s LEU 82 Cb -0.16 -1.97 -0.01 0.00 0.02 0.00 0.00 46.19 44.07 2jqj s LEU 82 CO 0.12 -0.38 -0.22 -0.22 0.02 0.00 0.00 176.35 175.67 2jqj s LEU 83 N 1.49 2.03 -0.16 1.79 2.96 -1.17 -2.05 118.68 123.57 2jqj s LEU 83 Ca 0.01 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2jqj s LEU 83 Cb -0.20 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 2jqj s LEU 83 CO 0.05 0.24 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.70 2jqj s GLN 84 N -0.30 3.63 -0.01 1.98 0.74 -1.26 -2.84 119.66 121.59 2jqj s GLN 84 Ca 0.02 -0.54 -0.01 0.00 0.05 0.00 0.00 55.36 54.88 2jqj s GLN 84 Cb -0.11 -2.90 0.00 0.00 1.10 0.00 0.00 33.01 31.10 2jqj s GLN 84 CO 0.01 0.21 0.03 1.41 -0.55 0.00 0.00 175.29 176.40 2jqj s MET 85 N 0.44 0.07 -0.29 1.67 1.75 -1.15 -5.07 119.30 116.73 2jqj s MET 85 Ca -0.04 -0.03 -0.08 0.00 -1.25 0.00 0.00 55.69 54.29 2jqj s MET 85 Cb -0.14 0.03 -0.00 0.00 2.84 0.00 0.00 34.83 37.56 2jqj s MET 85 CO 0.03 -0.01 0.10 0.16 -0.65 0.00 0.00 175.02 174.64 2jqj s ASP 86 N -0.16 5.22 -0.17 1.11 -4.77 -1.26 -1.49 116.67 115.15 2jqj s ASP 86 Ca -0.02 -0.57 0.00 0.00 -3.30 0.00 0.00 52.55 48.66 2jqj s ASP 86 Cb -0.01 -1.92 0.03 0.00 -1.09 0.00 0.00 42.92 39.93 2jqj s ASP 86 CO -0.00 -0.16 -0.12 0.68 0.70 0.00 0.00 175.17 176.27 2jqj s VAL 87 N 1.55 1.55 -0.51 2.11 -7.23 -0.80 -4.88 120.40 112.19 2jqj s VAL 87 Ca 0.04 -0.78 -0.14 0.00 -1.81 0.00 0.00 61.98 59.30 2jqj s VAL 87 Cb -0.17 -1.55 0.02 0.00 0.56 0.00 0.00 36.38 35.24 2jqj s VAL 87 CO 0.04 0.31 0.63 -0.67 -0.31 0.00 0.00 175.10 175.09 2jqj n ASP 88 N 4.75 -7.71 0.00 4.85 -0.08 -1.26 -3.98 116.55 113.12 2jqj n ASP 88 Ca -0.15 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 2jqj n ASP 88 Cb 0.48 -5.07 0.00 0.00 2.34 0.00 0.00 41.12 38.87 2jqj n ASP 88 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2jqj n ASN 89 N -0.68 0.00 -4.74 1.67 3.02 -1.26 -4.77 115.26 108.50 2jqj n ASN 89 Ca 0.07 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.27 2jqj n ASN 89 Cb 0.49 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.72 2jqj n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jqj s PHE 90 N 0.00 2.23 -0.05 3.10 0.08 -1.26 -4.99 117.98 117.09 2jqj s PHE 90 Ca 0.00 1.54 0.06 0.00 0.12 0.00 0.00 56.93 58.65 2jqj s PHE 90 Cb 0.00 -3.50 -0.02 0.00 -0.57 0.00 0.00 43.02 38.94 2jqj s PHE 90 CO 0.00 -2.45 -0.23 1.14 -0.10 0.00 0.00 175.22 173.59 2jqj s GLN 91 N -3.58 2.51 0.10 0.44 -2.07 -1.26 -1.90 119.66 113.89 2jqj s GLN 91 Ca 0.77 -0.86 0.07 0.00 -1.82 0.00 0.00 55.36 53.51 2jqj s GLN 91 Cb -0.31 -2.20 -0.04 0.00 -1.09 0.00 0.00 33.01 29.37 2jqj s GLN 91 CO 0.39 0.45 -0.09 1.03 -1.32 0.00 0.00 175.29 175.74 2jqj s ARG 92 N -0.32 2.16 -0.17 9.60 0.52 -0.55 -4.95 118.95 125.24 2jqj s ARG 92 Ca 0.01 -1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 54.19 2jqj s ARG 92 Cb -0.13 -2.32 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 2jqj s ARG 92 CO 0.02 0.51 -0.07 -0.80 0.02 0.00 0.00 175.30 174.98 2jqj s ASN 93 N -2.19 4.30 -0.18 0.23 0.02 -1.26 -2.92 114.94 112.93 2jqj s ASN 93 Ca 0.21 -0.31 -0.05 0.00 -1.02 0.00 0.00 52.86 51.69 2jqj s ASN 93 Cb -0.11 -1.70 -0.03 0.00 0.02 0.00 0.00 41.25 39.43 2jqj s ASN 93 CO 0.14 0.09 0.00 -0.76 0.02 0.00 0.00 177.10 176.58 2jqj s LEU 94 N 0.84 3.36 -0.05 0.60 1.02 -1.13 -4.90 118.68 118.42 2jqj s LEU 94 Ca -0.02 -0.13 0.06 0.00 0.02 0.00 0.00 54.13 54.06 2jqj s LEU 94 Cb -0.15 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 2jqj s LEU 94 CO 0.01 0.12 -0.22 -0.63 0.02 0.00 0.00 176.35 175.65 2jqj s ILE 95 N 0.68 2.38 0.02 -0.59 1.09 -1.13 -3.04 121.20 120.61 2jqj s ILE 95 Ca -0.00 -0.96 0.05 0.00 -1.10 0.00 0.00 60.65 58.64 2jqj s ILE 95 Cb -0.14 -1.88 -0.03 0.00 -1.06 0.00 0.00 42.46 39.35 2jqj s ILE 95 CO 0.02 0.57 -0.13 0.21 -0.10 0.00 0.00 174.94 175.51 2jqj s ASN 96 N -0.39 4.12 -0.19 3.58 2.47 -1.02 0.73 114.94 124.24 2jqj s ASN 96 Ca 0.04 -0.29 -0.06 0.00 0.42 0.00 0.00 52.86 52.96 2jqj s ASN 96 Cb -0.12 -0.81 -0.03 0.00 -1.45 0.00 0.00 41.25 38.84 2jqj s ASN 96 CO 0.02 0.28 0.03 -0.69 -3.72 0.00 0.00 177.10 173.01 2jqj s VAL 97 N -0.92 4.31 -0.11 -5.21 1.01 0.30 -2.20 120.40 117.58 2jqj s VAL 97 Ca 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 2jqj s VAL 97 Cb -0.11 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.35 2jqj s VAL 97 CO 0.05 0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 174.89 2jqj s ILE 98 N 0.71 0.97 -0.15 2.22 1.01 -0.48 -3.01 121.20 122.49 2jqj s ILE 98 Ca 0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 2jqj s ILE 98 Cb -0.14 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 2jqj s ILE 98 CO 0.02 0.36 0.13 -1.81 0.00 0.00 0.00 174.94 173.64 2jqj s ASP 99 N 1.64 6.30 -0.08 3.58 1.01 -1.26 -0.90 116.67 126.97 2jqj s ASP 99 Ca 0.03 0.38 0.21 0.00 0.71 0.00 0.00 52.55 53.88 2jqj s ASP 99 Cb -0.13 -2.07 0.43 0.00 1.01 0.00 0.00 42.92 42.17 2jqj s ASP 99 CO -0.07 0.33 1.18 0.29 0.21 0.00 0.00 175.17 177.11 2jqj n LYS 100 N 2.52 0.62 -3.52 8.23 4.76 -1.18 -5.00 118.16 124.59 2jqj n LYS 100 Ca -0.19 -2.50 -0.17 0.00 -2.87 0.00 0.00 58.31 52.58 2jqj n LYS 100 Cb 0.54 -0.60 -0.06 0.00 -1.84 0.00 0.00 35.03 33.07 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 -2.48 -0.63 -0.71 4.39 0.01 -1.25 -4.83 113.70 108.19 2jqj s SER 101 Ca 0.35 0.64 -0.01 0.00 1.31 0.00 0.00 55.95 58.24 2jqj s SER 101 Cb 0.38 0.53 0.41 0.00 0.21 0.00 0.00 66.02 67.54 2jqj s SER 101 CO -0.13 -0.62 1.94 -2.11 0.41 0.00 0.00 173.24 172.73 2jqj n ARG 102 N 0.80 2.81 0.04 12.44 1.85 -1.26 -4.54 116.66 128.80 2jqj n ARG 102 Ca -0.18 -3.50 -0.10 0.00 -1.00 0.00 0.00 57.85 53.06 2jqj n ARG 102 Cb 0.58 -2.28 -0.13 0.00 -1.05 0.00 0.00 32.46 29.58 2jqj n ARG 102 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 2jqj h ASN 103 N 2.46 0.12 0.00 2.89 4.21 -1.96 -3.49 115.58 119.81 2jqj h ASN 103 Ca 0.56 -0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.91 2jqj h ASN 103 Cb 0.52 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 2jqj h ASN 103 CO 1.44 1.13 0.00 0.61 -1.29 0.00 0.00 177.43 179.33 2jqj n GLY 104 N 1.49 1.61 3.37 2.83 0.00 -1.26 -4.72 105.19 108.50 2jqj n GLY 104 Ca -0.09 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 3.33 -0.19 2.61 2.01 -1.26 -0.35 115.64 121.79 2jqj s THR 105 Ca 0.00 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2jqj s THR 105 Cb 0.00 -2.45 0.03 0.00 0.01 0.00 0.00 72.50 70.08 2jqj s THR 105 CO 0.00 0.48 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.88 2jqj s PHE 106 N 0.79 2.72 -0.06 4.92 0.40 -0.00 -4.29 117.98 122.45 2jqj s PHE 106 Ca -0.03 -1.67 0.04 0.00 -0.60 0.00 0.00 56.93 54.67 2jqj s PHE 106 Cb -0.15 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 2jqj s PHE 106 CO 0.01 -0.79 -0.17 -1.50 0.70 0.00 0.00 175.22 173.48 2jqj s ILE 107 N 1.30 2.83 -1.88 0.64 1.10 -0.69 -0.09 121.20 124.41 2jqj s ILE 107 Ca 0.03 -0.79 0.00 0.00 -0.51 0.00 0.00 60.65 59.37 2jqj s ILE 107 Cb -0.14 -2.10 0.00 0.00 0.15 0.00 0.00 42.46 40.36 2jqj s ILE 107 CO -0.11 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.88 2jqj n ASN 108 N 2.65 -5.87 0.00 4.50 5.03 0.37 -0.98 115.26 120.96 2jqj n ASN 108 Ca -0.17 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.36 2jqj n ASN 108 Cb 0.52 -4.94 0.00 0.00 -1.02 0.00 0.00 39.78 34.34 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 -0.90 0.30 3.12 7.41 0.00 -1.26 -4.99 105.19 108.87 2jqj n GLY 109 Ca -0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.01 1.21 0.21 1.61 0.01 -0.15 -5.13 114.94 110.69 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 0.01 -0.08 0.00 0.41 0.00 0.00 41.25 41.59 2jqj s ASN 110 CO 0.00 -0.21 1.14 -0.13 -1.51 0.00 0.00 177.10 176.39 2jqj s ARG 111 N -2.07 4.56 0.42 -0.60 0.52 -1.26 -1.70 118.95 118.82 2jqj s ARG 111 Ca -0.03 1.81 -0.24 0.00 -0.52 0.00 0.00 55.73 56.75 2jqj s ARG 111 Cb -0.07 -3.24 -0.08 0.00 0.52 0.00 0.00 34.95 32.08 2jqj s ARG 111 CO 0.00 0.05 1.17 -0.48 0.02 0.00 0.00 175.30 176.07 2jqj s LEU 112 N -0.64 4.12 -0.36 2.53 2.34 -1.26 -4.94 118.68 120.47 2jqj s LEU 112 Ca 0.49 2.35 0.14 0.00 0.06 0.00 0.00 54.13 57.17 2jqj s LEU 112 Cb -0.31 -4.11 0.39 0.00 -0.56 0.00 0.00 46.19 41.60 2jqj s LEU 112 CO 0.38 -0.79 0.84 0.55 -1.06 0.00 0.00 176.35 176.27 2jqj n VAL 113 N -0.16 0.26 -3.96 1.48 3.14 -1.26 -5.10 118.33 112.73 2jqj n VAL 113 Ca 0.05 -3.86 0.02 0.00 -2.96 0.00 0.00 64.34 57.60 2jqj n VAL 113 Cb 0.47 0.17 0.01 0.00 -1.06 0.00 0.00 33.84 33.42 2jqj n VAL 113 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2jqj n LYS 114 N 0.14 0.10 -0.43 1.45 4.81 -1.26 -5.04 118.16 117.94 2jqj n LYS 114 Ca 0.18 -0.47 0.07 0.00 -0.87 0.00 0.00 58.31 57.22 2jqj n LYS 114 Cb 0.72 0.80 0.17 0.00 0.02 0.00 0.00 35.03 36.74 2jqj n LYS 114 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2jqj n LYS 115 N -0.60 1.36 -2.72 1.64 -0.00 -1.26 -4.83 118.16 111.75 2jqj n LYS 115 Ca 0.03 -2.91 -0.06 0.00 -0.00 0.00 0.00 58.31 55.38 2jqj n LYS 115 Cb 0.37 -1.47 0.05 0.00 -0.00 0.00 0.00 35.03 33.98 2jqj n LYS 115 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jqj n ASP 116 N -1.14 -2.40 -4.77 -5.58 -0.08 -1.26 -4.93 116.55 96.38 2jqj n ASP 116 Ca 0.17 -2.56 -0.39 0.00 -1.51 0.00 0.00 54.79 50.50 2jqj n ASP 116 Cb 0.69 1.39 -0.06 0.00 2.34 0.00 0.00 41.12 45.48 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2jqj s TYR 117 N 0.60 3.89 -0.31 -0.67 6.14 -1.16 -4.90 117.35 120.94 2jqj s TYR 117 Ca 0.29 1.62 -0.13 0.00 0.64 0.00 0.00 57.07 59.49 2jqj s TYR 117 Cb 0.17 -2.77 -0.03 0.00 0.42 0.00 0.00 41.96 39.75 2jqj s TYR 117 CO -0.15 0.49 0.28 -1.50 0.64 0.00 0.00 175.55 175.31 2jqj s ILE 118 N -1.03 5.24 -0.16 3.14 1.10 -1.26 -0.54 121.20 127.69 2jqj s ILE 118 Ca 0.36 0.11 -0.07 0.00 -0.51 0.00 0.00 60.65 60.54 2jqj s ILE 118 Cb -0.23 -3.68 -0.04 0.00 0.15 0.00 0.00 42.46 38.66 2jqj s ILE 118 CO 0.26 0.08 0.07 -0.22 -2.11 0.00 0.00 174.94 173.02 2jqj s LEU 119 N 1.87 3.92 0.40 8.50 0.20 0.22 -4.98 118.68 128.82 2jqj s LEU 119 Ca 0.09 0.16 0.04 0.00 0.69 0.00 0.00 54.13 55.12 2jqj s LEU 119 Cb -0.16 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 2jqj s LEU 119 CO 0.11 0.23 0.14 -0.54 -0.29 0.00 0.00 176.35 176.00 2jqj s LYS 120 N 0.02 1.91 0.37 1.98 1.02 -1.26 -2.86 119.74 120.92 2jqj s LYS 120 Ca 0.06 -2.16 -0.27 0.00 0.02 0.00 0.00 55.97 53.62 2jqj s LYS 120 Cb -0.12 -0.53 -0.12 0.00 -0.52 0.00 0.00 37.83 36.54 2jqj s LYS 120 CO 0.01 -0.49 1.20 -1.71 -0.92 0.00 0.00 175.35 173.44 2jqj n ASN 121 N -1.33 2.28 -2.06 2.83 5.15 -1.26 -3.40 115.26 117.47 2jqj n ASN 121 Ca -0.05 1.15 -0.07 0.00 -0.60 0.00 0.00 54.58 55.01 2jqj n ASN 121 Cb 0.65 -1.44 0.03 0.00 -0.53 0.00 0.00 39.78 38.49 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jqj n GLY 122 N 0.90 0.10 2.99 8.20 0.00 -0.44 -5.01 105.19 111.93 2jqj n GLY 122 Ca 0.07 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.44 1.86 -0.19 1.61 1.11 -1.16 -4.97 116.67 111.48 2jqj s ASP 123 Ca 0.06 -0.29 -0.19 0.00 0.18 0.00 0.00 52.55 52.30 2jqj s ASP 123 Cb -0.01 -0.82 -0.03 0.00 1.07 0.00 0.00 42.92 43.13 2jqj s ASP 123 CO 0.30 -0.01 0.54 -0.60 1.18 0.00 0.00 175.17 176.58 2jqj s ARG 124 N 0.97 4.20 -0.11 8.23 6.06 -1.26 -1.04 118.95 136.00 2jqj s ARG 124 Ca -0.09 0.46 0.01 0.00 -2.50 0.00 0.00 55.73 53.61 2jqj s ARG 124 Cb -0.15 -3.56 -0.01 0.00 0.06 0.00 0.00 34.95 31.29 2jqj s ARG 124 CO 0.00 -0.15 -0.15 0.42 -2.50 0.00 0.00 175.30 172.92 2jqj s ILE 125 N 1.63 2.90 -0.10 4.11 1.09 0.19 -0.48 121.20 130.54 2jqj s ILE 125 Ca 0.25 -0.73 0.03 0.00 -1.10 0.00 0.00 60.65 59.10 2jqj s ILE 125 Cb -0.16 -2.19 0.01 0.00 -1.06 0.00 0.00 42.46 39.06 2jqj s ILE 125 CO 0.10 0.54 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.59 2jqj s VAL 126 N 0.18 1.77 -0.18 2.92 1.01 0.87 -2.03 120.40 124.94 2jqj s VAL 126 Ca -0.09 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2jqj s VAL 126 Cb -0.15 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.69 2jqj s VAL 126 CO 0.05 0.50 -0.16 -0.36 0.00 0.00 0.00 175.10 175.13 2jqj s PHE 127 N 0.62 2.62 0.00 5.22 0.08 -0.85 -0.82 117.98 124.85 2jqj s PHE 127 Ca -0.13 -1.60 0.00 0.00 0.12 0.00 0.00 56.93 55.32 2jqj s PHE 127 Cb -0.16 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 2jqj s PHE 127 CO 0.04 -0.77 0.00 0.41 -0.10 0.00 0.00 175.22 174.80 2jqj n GLY 128 N 4.65 1.79 2.07 4.36 0.00 0.53 -3.34 105.19 115.25 2jqj n GLY 128 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 2jqj n GLY 128 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqj n LYS 129 N -2.00 -0.27 0.00 1.61 0.00 -1.22 -4.87 118.16 111.42 2jqj n LYS 129 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 58.31 58.57 2jqj n LYS 129 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 35.03 31.09 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2jqj n SER 130 N 1.37 0.07 -4.56 3.14 3.41 -1.24 -5.04 113.62 110.76 2jqj n SER 130 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 2jqj n SER 130 Cb 0.45 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 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 1.99 3.11 0.04 0.00 0.15 -1.26 -2.00 113.70 115.73 2jqj s SER 132 Ca 0.30 -0.62 -0.03 0.00 0.70 0.00 0.00 55.95 56.30 2jqj s SER 132 Cb -0.13 -1.45 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 2jqj s SER 132 CO 0.20 0.05 0.04 0.72 1.20 0.00 0.00 173.24 175.45 2jqj s PHE 133 N 0.98 0.31 -0.09 3.44 -0.71 -0.86 -0.99 117.98 120.06 2jqj s PHE 133 Ca -0.03 -0.70 -0.01 0.00 -1.04 0.00 0.00 56.93 55.14 2jqj s PHE 133 Cb -0.15 -0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 2jqj s PHE 133 CO -0.06 -0.36 -0.02 -1.17 -1.34 0.00 0.00 175.22 172.28 2jqj s LEU 134 N -2.35 3.43 -0.07 -1.99 0.20 0.34 -0.64 118.68 117.62 2jqj s LEU 134 Ca -0.02 0.07 -0.02 0.00 0.69 0.00 0.00 54.13 54.85 2jqj s LEU 134 Cb 0.01 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 2jqj s LEU 134 CO -0.06 0.35 0.04 0.12 -0.29 0.00 0.00 176.35 176.51 2jqj s PHE 135 N -0.71 3.26 0.05 5.38 5.36 -0.21 -1.60 117.98 129.51 2jqj s PHE 135 Ca 0.11 0.25 -0.20 0.00 -0.96 0.00 0.00 56.93 56.13 2jqj s PHE 135 Cb -0.12 -1.79 0.04 0.00 -0.34 0.00 0.00 43.02 40.81 2jqj s PHE 135 CO 0.02 0.54 0.45 -1.59 -1.46 0.00 0.00 175.22 173.18 2jqj s LYS 136 N -1.15 0.97 0.14 10.12 0.00 -1.16 -1.32 119.74 127.34 2jqj s LYS 136 Ca 0.16 -0.34 -0.24 0.00 0.00 0.00 0.00 55.97 55.55 2jqj s LYS 136 Cb -0.12 0.44 -0.08 0.00 0.00 0.00 0.00 37.83 38.08 2jqj s LYS 136 CO 0.06 -0.35 0.74 0.71 0.00 0.00 0.00 175.35 176.51 2jqj s TYR 137 N -2.56 3.88 0.00 1.78 2.02 -1.26 -1.80 117.35 119.41 2jqj s TYR 137 Ca -0.05 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 2jqj s TYR 137 Cb -0.01 -2.72 0.00 0.00 -0.40 0.00 0.00 41.96 38.83 2jqj s TYR 137 CO -0.03 0.52 0.00 0.00 -1.57 0.00 0.00 175.55 174.47 2jqj n ALA 138 N 1.67 0.00 0.00 3.71 0.00 -1.00 -4.88 120.51 120.01 2jqj n ALA 138 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jqj n ALA 138 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.95 0.00 -4.73 0.00 7.64 -1.26 -4.71 113.62 109.60 2jqj n SER 139 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2jqj n SER 139 Cb 0.00 0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 2jqj n SER 139 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jqj s SER 140 N -1.63 7.12 -0.01 6.43 0.01 -1.26 -4.92 113.70 119.45 2jqj s SER 140 Ca 0.00 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.36 2jqj s SER 140 Cb 0.00 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 2jqj s SER 140 CO 0.00 -0.38 -0.01 -0.24 0.41 0.00 0.00 173.24 173.02 2jqj n SER 141 N 3.13 3.79 -0.05 2.44 2.88 -1.26 -4.76 113.62 119.79 2jqj n SER 141 Ca 0.06 -0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.51 2jqj n SER 141 Cb 0.46 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 2jqj n SER 141 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jqj h SER 142 N -0.00 0.08 -3.35 -3.46 0.02 -2.07 -3.46 113.55 101.31 2jqj h SER 142 Ca -0.01 0.02 -0.40 0.00 -0.84 0.00 0.00 61.79 60.56 2jqj h SER 142 Cb 1.02 0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.58 2jqj h SER 142 CO -0.00 0.08 -0.54 0.41 -1.14 0.00 0.00 176.83 175.63 2jqj n THR 143 N -5.04 -1.28 -3.45 -2.27 -1.04 -1.26 -4.95 114.28 94.99 2jqj n THR 143 Ca -0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2jqj n THR 143 Cb 0.08 -3.08 -0.04 0.00 -1.82 0.00 0.00 70.33 65.48 2jqj n THR 143 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jqj s ASP 144 N -2.28 -0.77 -0.32 8.00 -1.08 -1.26 -5.03 116.67 113.93 2jqj s ASP 144 Ca 0.09 0.99 0.10 0.00 -0.52 0.00 0.00 52.55 53.21 2jqj s ASP 144 Cb -0.04 1.85 0.68 0.00 -1.46 0.00 0.00 42.92 43.96 2jqj s ASP 144 CO 0.11 -0.15 1.74 -0.38 0.52 0.00 0.00 175.17 177.01 2jqj n ILE 145 N 5.16 2.86 -2.56 4.11 5.41 -1.26 -4.98 119.36 128.09 2jqj n ILE 145 Ca -0.09 -1.85 -0.02 0.00 1.00 0.00 0.00 62.75 61.79 2jqj n ILE 145 Cb 0.51 -0.36 -0.02 0.00 -0.71 0.00 0.00 39.64 39.07 2jqj n ILE 145 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2jqj n GLU 146 N -0.45 -3.55 -3.88 0.38 4.07 -1.26 -5.03 120.64 110.92 2jqj n GLU 146 Ca 0.40 2.81 -0.29 0.00 -0.06 0.00 0.00 57.16 60.02 2jqj n GLU 146 Cb 1.33 -4.89 -0.16 0.00 -0.06 0.00 0.00 31.44 27.66 2jqj n GLU 146 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2jqj s ASN 147 N -1.17 3.20 0.02 4.31 2.47 -1.26 -5.00 114.94 117.51 2jqj s ASN 147 Ca -0.09 -0.87 -0.02 0.00 0.42 0.00 0.00 52.86 52.30 2jqj s ASN 147 Cb 0.01 -0.94 -0.01 0.00 -1.45 0.00 0.00 41.25 38.86 2jqj s ASN 147 CO 0.72 -0.22 -0.04 -0.67 -3.72 0.00 0.00 177.10 173.17 2jqj n ASP 148 N 4.84 0.66 0.00 -4.21 2.03 -1.26 -5.02 116.55 113.59 2jqj n ASP 148 Ca -0.11 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2jqj n ASP 148 Cb 0.46 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 2jqj n ASP 148 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jqj n ASP 149 N -3.12 0.83 -2.48 1.67 2.03 -1.26 -5.13 116.55 109.09 2jqj n ASP 149 Ca -0.01 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.25 2jqj n ASP 149 Cb 0.05 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.42 2jqj n ASP 149 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jqj n GLU 150 N -2.46 -4.57 -1.15 -0.67 4.71 -1.26 -4.91 120.64 110.32 2jqj n GLU 150 Ca 0.00 3.43 -0.18 0.00 -0.01 0.00 0.00 57.16 60.39 2jqj n GLU 150 Cb 0.26 -4.83 0.16 0.00 -1.01 0.00 0.00 31.44 26.02 2jqj n GLU 150 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2jqj n LYS 151 N 1.67 2.27 0.22 3.49 3.00 -1.26 -4.68 118.16 122.87 2jqj n LYS 151 Ca -0.32 -3.23 -0.10 0.00 -0.00 0.00 0.00 58.31 54.67 2jqj n LYS 151 Cb 0.49 -2.07 -0.05 0.00 0.00 0.00 0.00 35.03 33.41 2jqj n LYS 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2jqj h VAL 152 N 1.10 0.00 -2.03 3.15 2.07 -2.08 -3.40 116.25 115.07 2jqj h VAL 152 Ca 0.45 -0.45 -0.53 0.00 0.82 0.00 0.00 66.70 66.99 2jqj h VAL 152 Cb 1.95 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 2jqj h VAL 152 CO 0.88 0.00 1.17 -0.55 0.02 0.00 0.00 177.57 179.09 2jqj s SER 153 N -4.56 5.95 -0.04 0.57 0.15 -1.26 -4.98 113.70 109.52 2jqj s SER 153 Ca -0.09 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.18 2jqj s SER 153 Cb 0.01 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 2jqj s SER 153 CO 0.27 -1.97 -0.14 -0.94 1.20 0.00 0.00 173.24 171.67 2jqj s SER 154 N 5.11 4.04 -1.11 5.45 1.04 -1.26 -5.03 113.70 121.94 2jqj s SER 154 Ca 0.46 -0.21 -0.23 0.00 0.48 0.00 0.00 55.95 56.44 2jqj s SER 154 Cb -0.08 -0.84 -0.12 0.00 0.10 0.00 0.00 66.02 65.08 2jqj s SER 154 CO 0.12 0.34 1.95 -0.62 0.98 0.00 0.00 173.24 176.01 2jqj n GLU 155 N 2.21 1.38 -1.48 4.02 1.02 -1.26 -4.77 120.64 121.76 2jqj n GLU 155 Ca -0.17 -2.29 0.18 0.00 -0.02 0.00 0.00 57.16 54.86 2jqj n GLU 155 Cb 0.52 -3.66 -0.08 0.00 -0.02 0.00 0.00 31.44 28.20 2jqj n GLU 155 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jqj n SER 156 N 14.33 -8.50 -4.63 1.62 7.64 -1.26 -4.63 113.62 118.18 2jqj n SER 156 Ca 0.45 1.26 -0.43 0.00 1.01 0.00 0.00 58.87 61.16 2jqj n SER 156 Cb 0.46 -4.93 -0.02 0.00 -1.01 0.00 0.00 64.21 58.71 2jqj n SER 156 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jqj s ARG 157 N -3.78 3.90 -0.55 1.43 0.52 -1.26 -4.97 118.95 114.24 2jqj s ARG 157 Ca 0.00 1.40 0.02 0.00 -0.52 0.00 0.00 55.73 56.63 2jqj s ARG 157 Cb 0.00 -3.92 0.14 0.00 0.52 0.00 0.00 34.95 31.69 2jqj s ARG 157 CO 0.00 -1.15 0.31 0.45 0.02 0.00 0.00 175.30 174.93 2jqj s SER 158 N 3.19 4.56 0.00 0.23 0.15 -1.26 -5.27 113.70 115.30 2jqj s SER 158 Ca 0.61 -2.99 0.00 0.00 0.70 0.00 0.00 55.95 54.27 2jqj s SER 158 Cb -0.20 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 2jqj s SER 158 CO 0.25 -0.26 0.05 0.00 1.20 0.00 0.00 173.24 174.47