#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 0.79 -0.10 1.97 3.52 -1.26 -4.96 118.95 118.92 2jqj s ARG 20 Ca 0.00 -0.86 0.20 0.00 -0.13 0.00 0.00 55.73 54.94 2jqj s ARG 20 Cb 0.00 -2.09 0.43 0.00 -1.56 0.00 0.00 34.95 31.73 2jqj s ARG 20 CO 0.00 -0.84 1.19 0.94 -0.81 0.00 0.00 175.30 175.78 2jqj n GLN 21 N 4.89 0.76 -0.92 5.12 7.27 -1.26 -5.13 117.38 128.12 2jqj n GLN 21 Ca -0.05 -2.61 0.12 0.00 0.07 0.00 0.00 57.00 54.53 2jqj n GLN 21 Cb 0.44 -0.73 -0.03 0.00 2.41 0.00 0.00 30.24 32.33 2jqj n GLN 21 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2jqj n GLN 22 N -0.18 -1.85 -3.53 3.69 6.02 -1.26 -5.00 117.38 115.28 2jqj n GLN 22 Ca 0.12 1.22 -0.16 0.00 -0.01 0.00 0.00 57.00 58.17 2jqj n GLN 22 Cb 0.96 -2.25 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 2jqj n GLN 22 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2jqj s ARG 23 N -1.42 0.93 -0.67 -1.09 6.06 -1.26 -5.12 118.95 116.39 2jqj s ARG 23 Ca 0.00 0.21 -0.06 0.00 -2.50 0.00 0.00 55.73 53.38 2jqj s ARG 23 Cb 0.00 0.44 0.17 0.00 0.06 0.00 0.00 34.95 35.62 2jqj s ARG 23 CO 0.00 -0.29 0.52 -1.12 -2.50 0.00 0.00 175.30 171.90 2jqj s SER 24 N -1.20 5.66 0.57 -2.12 0.01 -1.26 -5.07 113.70 110.29 2jqj s SER 24 Ca -0.08 -2.75 -0.02 0.00 1.31 0.00 0.00 55.95 54.41 2jqj s SER 24 Cb -0.00 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.30 2jqj s SER 24 CO 0.07 -0.44 0.83 0.20 0.41 0.00 0.00 173.24 174.30 2jqj s ASN 25 N 1.20 5.32 0.00 2.44 0.01 -1.26 -5.01 114.94 117.64 2jqj s ASN 25 Ca 0.16 0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 52.26 2jqj s ASN 25 Cb -0.18 -1.16 -0.08 0.00 0.41 0.00 0.00 41.25 40.24 2jqj s ASN 25 CO -0.05 -1.15 1.84 -0.54 -1.51 0.00 0.00 177.10 175.69 2jqj s LYS 26 N -4.86 4.16 0.41 -0.60 -0.14 -1.26 -4.96 119.74 112.49 2jqj s LYS 26 Ca 0.56 2.44 -0.25 0.00 -1.36 0.00 0.00 55.97 57.36 2jqj s LYS 26 Cb -0.10 -4.08 -0.08 0.00 -1.68 0.00 0.00 37.83 31.88 2jqj s LYS 26 CO 0.41 -0.91 1.18 -1.25 -0.76 0.00 0.00 175.35 174.01 2jqj s PRO 27 N 4.26 3.98 1.20 -1.68 0.04 -1.26 -5.03 135.00 136.51 2jqj s PRO 27 Ca 0.82 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 63.54 2jqj s PRO 27 Cb -0.39 -2.61 0.28 0.00 0.04 0.00 0.00 34.50 31.82 2jqj s PRO 27 CO 0.37 -0.39 1.05 -1.12 0.04 0.00 0.00 177.00 176.95 2jqj s SER 28 N -1.16 0.87 -0.43 6.66 0.01 -1.26 -5.05 113.70 113.34 2jqj s SER 28 Ca 0.59 1.00 0.05 0.00 1.31 0.00 0.00 55.95 58.89 2jqj s SER 28 Cb -0.31 -1.50 0.17 0.00 0.21 0.00 0.00 66.02 64.60 2jqj s SER 28 CO 0.38 -4.20 0.49 -0.44 0.41 0.00 0.00 173.24 169.89 2jqj s SER 29 N -3.32 0.21 -0.28 2.44 0.01 -1.26 -5.12 113.70 106.38 2jqj s SER 29 Ca 0.69 -1.97 -0.17 0.00 1.31 0.00 0.00 55.95 55.80 2jqj s SER 29 Cb -0.16 0.81 0.11 0.00 0.21 0.00 0.00 66.02 66.99 2jqj s SER 29 CO 0.59 -0.16 0.83 -1.83 0.41 0.00 0.00 173.24 173.07 2jqj s GLU 30 N 0.92 0.58 0.00 12.44 -1.05 -1.26 -5.12 118.70 125.20 2jqj s GLU 30 Ca 0.25 0.95 0.00 0.00 -0.15 0.00 0.00 54.97 56.02 2jqj s GLU 30 Cb -0.05 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 2jqj s GLU 30 CO -0.08 -0.11 0.00 0.66 0.95 0.00 0.00 175.26 176.67 2jqj n TYR 31 N 3.80 0.00 -3.79 4.83 4.02 -1.26 -4.90 117.16 119.86 2jqj n TYR 31 Ca -0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.56 2jqj n TYR 31 Cb 0.58 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.75 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 -0.05 0.51 -0.72 2.01 -1.26 -5.03 115.64 111.10 2jqj s THR 32 Ca 0.00 0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.94 2jqj s THR 32 Cb 0.00 -0.09 -0.06 0.00 0.01 0.00 0.00 72.50 72.36 2jqj s THR 32 CO 0.00 0.07 1.38 0.00 -0.69 0.00 0.00 174.62 175.38 2jqj n LEU 34 N -0.68 0.00 -3.84 0.00 0.00 -0.96 -4.86 117.00 106.67 2jqj n LEU 34 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 56.00 2jqj n LEU 34 Cb 0.43 0.15 -0.08 0.00 0.00 0.00 0.00 43.42 43.92 2jqj n LEU 34 CO 0.56 -0.25 -0.08 -0.83 0.00 0.00 0.00 177.39 176.79 2jqj s GLY 35 N -2.57 0.04 0.28 -3.96 0.00 -1.13 0.11 107.32 100.09 2jqj s GLY 35 Ca 0.00 -0.42 0.12 0.00 0.00 0.00 0.00 44.72 44.42 2jqj s GLY 35 CO 0.00 -0.61 -0.19 0.30 0.00 0.00 0.00 173.10 172.61 2jqj s HIS 36 N -3.26 2.31 -0.20 1.90 3.76 0.52 0.11 115.29 120.43 2jqj s HIS 36 Ca 0.00 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2jqj s HIS 36 Cb 0.02 -1.03 0.05 0.00 1.11 0.00 0.00 32.58 32.73 2jqj s HIS 36 CO -0.08 0.71 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.95 2jqj s LEU 37 N -3.52 2.09 -0.26 0.89 1.43 0.69 -2.46 118.68 117.54 2jqj s LEU 37 Ca 0.30 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 2jqj s LEU 37 Cb -0.04 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 2jqj s LEU 37 CO 0.15 -0.20 0.19 -0.69 0.23 0.00 0.00 176.35 176.03 2jqj s VAL 38 N 1.51 5.32 -0.35 -1.59 1.01 -0.44 0.20 120.40 126.05 2jqj s VAL 38 Ca -0.02 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 2jqj s VAL 38 Cb -0.17 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2jqj s VAL 38 CO -0.07 0.28 0.66 0.20 0.00 0.00 0.00 175.10 176.17 2jqj s ASN 39 N 1.51 6.45 -0.52 3.32 -0.87 0.12 0.05 114.94 125.01 2jqj s ASN 39 Ca 0.08 0.21 -0.23 0.00 -1.57 0.00 0.00 52.86 51.34 2jqj s ASN 39 Cb -0.15 -2.34 0.04 0.00 -0.02 0.00 0.00 41.25 38.78 2jqj s ASN 39 CO 0.09 -0.61 0.85 -0.76 -2.57 0.00 0.00 177.10 174.10 2jqj s LEU 40 N 2.76 4.29 -0.02 0.60 1.43 0.98 -2.80 118.68 125.93 2jqj s LEU 40 Ca 0.26 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2jqj s LEU 40 Cb -0.14 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 2jqj s LEU 40 CO 0.15 -1.09 -0.20 -0.63 0.23 0.00 0.00 176.35 174.81 2jqj s ILE 41 N 3.55 1.63 -0.79 -0.59 1.01 -0.26 -4.32 121.20 121.43 2jqj s ILE 41 Ca 0.28 -0.87 -0.23 0.00 0.00 0.00 0.00 60.65 59.82 2jqj s ILE 41 Cb -0.14 -1.36 -0.17 0.00 0.01 0.00 0.00 42.46 40.80 2jqj s ILE 41 CO 0.19 0.46 2.39 -2.65 0.00 0.00 0.00 174.94 175.33 2jqj n PRO 42 N 2.65 0.50 -1.36 2.79 -0.02 -1.26 -0.60 135.00 137.70 2jqj n PRO 42 Ca -0.16 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 60.88 2jqj n PRO 42 Cb 0.53 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 2jqj n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jqj n GLY 43 N 6.36 0.99 3.65 -1.23 0.00 -1.26 -5.06 105.19 108.64 2jqj n GLY 43 Ca 0.51 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.94 0.00 0.01 1.61 2.20 0.23 -5.19 119.74 115.66 2jqj s LYS 44 Ca 0.00 0.00 -0.17 0.00 -0.36 0.00 0.00 55.97 55.44 2jqj s LYS 44 Cb 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 37.83 36.35 2jqj s LYS 44 CO 0.00 -0.00 0.36 -1.21 -0.36 0.00 0.00 175.35 174.14 2jqj s GLU 45 N -1.06 0.78 -0.07 4.03 8.01 -1.26 -1.10 118.70 128.03 2jqj s GLU 45 Ca 0.10 -0.26 -0.03 0.00 0.01 0.00 0.00 54.97 54.79 2jqj s GLU 45 Cb -0.01 0.35 0.04 0.00 -4.31 0.00 0.00 34.13 30.20 2jqj s GLU 45 CO -0.09 -0.24 0.16 -0.65 0.01 0.00 0.00 175.26 174.45 2jqj s GLN 46 N -1.81 0.07 -0.21 1.61 -0.21 -1.12 -4.94 119.66 113.05 2jqj s GLN 46 Ca -0.10 0.45 -0.07 0.00 0.02 0.00 0.00 55.36 55.66 2jqj s GLN 46 Cb -0.03 -0.21 -0.04 0.00 1.00 0.00 0.00 33.01 33.73 2jqj s GLN 46 CO 0.02 -0.22 0.07 0.21 -2.12 0.00 0.00 175.29 173.24 2jqj s LYS 47 N 1.60 3.85 0.11 2.91 2.20 -1.26 0.15 119.74 129.31 2jqj s LYS 47 Ca -0.05 -0.40 0.07 0.00 -0.36 0.00 0.00 55.97 55.23 2jqj s LYS 47 Cb -0.12 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2jqj s LYS 47 CO -0.06 0.09 -0.06 0.08 -0.36 0.00 0.00 175.35 175.04 2jqj s VAL 48 N 0.86 3.58 -0.28 4.02 1.01 0.13 -4.91 120.40 124.82 2jqj s VAL 48 Ca 0.04 -1.23 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 2jqj s VAL 48 Cb -0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2jqj s VAL 48 CO 0.02 0.07 0.18 -1.61 0.00 0.00 0.00 175.10 173.77 2jqj s GLU 49 N -2.37 3.92 -0.14 2.72 8.01 -1.26 -0.22 118.70 129.36 2jqj s GLU 49 Ca 0.24 -0.34 -0.13 0.00 0.01 0.00 0.00 54.97 54.75 2jqj s GLU 49 Cb -0.11 -3.64 -0.05 0.00 -4.31 0.00 0.00 34.13 26.03 2jqj s GLU 49 CO 0.16 -0.18 0.30 0.42 0.01 0.00 0.00 175.26 175.96 2jqj s ILE 50 N 1.75 5.29 0.39 -1.63 -1.09 0.31 -4.98 121.20 121.24 2jqj s ILE 50 Ca 0.07 0.56 0.08 0.00 -2.23 0.00 0.00 60.65 59.12 2jqj s ILE 50 Cb -0.16 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2jqj s ILE 50 CO 0.10 0.43 0.26 0.42 -1.23 0.00 0.00 174.94 174.92 2jqj s THR 51 N 0.16 2.70 -1.58 2.92 -4.23 -1.26 -2.26 115.64 112.09 2jqj s THR 51 Ca 0.17 -1.53 -0.10 0.00 -1.18 0.00 0.00 61.69 59.06 2jqj s THR 51 Cb -0.13 -3.01 -0.06 0.00 1.34 0.00 0.00 72.50 70.64 2jqj s THR 51 CO 0.05 -0.05 2.86 -0.46 -0.54 0.00 0.00 174.62 176.48 2jqj n ASN 52 N -1.35 8.50 -0.15 3.99 0.23 -1.21 -4.54 115.26 120.74 2jqj n ASN 52 Ca 0.00 -2.65 0.14 0.00 -0.53 0.00 0.00 54.58 51.53 2jqj n ASN 52 Cb 0.62 -1.54 0.72 0.00 -2.08 0.00 0.00 39.78 37.51 2jqj n ASN 52 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jqj n ARG 53 N 3.44 1.20 0.00 -3.83 0.63 -1.26 -4.88 116.66 111.96 2jqj n ARG 53 Ca 0.76 -0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 2jqj n ARG 53 Cb 0.24 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 -0.60 0.00 -3.94 6.15 3.02 -0.85 -4.80 115.26 114.25 2jqj n ASN 54 Ca 0.20 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.60 2jqj n ASN 54 Cb 0.17 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.20 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jqj s VAL 55 N 0.00 0.30 -0.09 2.41 1.01 -1.26 -2.07 120.40 120.70 2jqj s VAL 55 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2jqj s VAL 55 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2jqj s VAL 55 CO 0.00 0.04 -0.16 -0.89 0.00 0.00 0.00 175.10 174.09 2jqj s THR 56 N -0.18 1.50 -0.17 3.92 2.01 0.52 -4.86 115.64 118.38 2jqj s THR 56 Ca 0.00 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 2jqj s THR 56 Cb -0.02 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2jqj s THR 56 CO -0.00 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.84 2jqj s THR 57 N 0.70 4.76 -0.15 -0.82 -4.23 -1.26 -0.64 115.64 114.01 2jqj s THR 57 Ca -0.13 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 2jqj s THR 57 Cb -0.16 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.57 2jqj s THR 57 CO 0.03 0.47 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.80 2jqj s ILE 58 N 0.27 1.62 -0.67 2.99 1.09 -0.85 0.86 121.20 126.51 2jqj s ILE 58 Ca 0.03 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 2jqj s ILE 58 Cb -0.12 -1.51 0.00 0.00 -1.06 0.00 0.00 42.46 39.77 2jqj s ILE 58 CO 0.00 0.47 0.00 0.61 -0.10 0.00 0.00 174.94 175.92 2jqj n GLY 59 N 4.65 -0.78 0.10 6.18 0.00 -1.01 -3.04 105.19 111.30 2jqj n GLY 59 Ca -0.18 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 2jqj n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jqj n ARG 60 N 0.00 0.67 -1.59 1.61 0.63 -1.23 -3.03 116.66 113.73 2jqj n ARG 60 Ca 0.00 0.16 -0.49 0.00 -0.92 0.00 0.00 57.85 56.60 2jqj n ARG 60 Cb 0.00 -1.65 -0.04 0.00 0.45 0.00 0.00 32.46 31.22 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 -3.01 1.46 0.15 6.15 2.88 -1.26 -4.86 113.62 115.14 2jqj n SER 61 Ca -0.28 1.14 0.01 0.00 -1.33 0.00 0.00 58.87 58.41 2jqj n SER 61 Cb 1.09 -1.23 0.33 0.00 -0.75 0.00 0.00 64.21 63.65 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 3.57 0.12 0.00 -1.46 3.08 -1.98 -2.33 114.38 115.38 2jqj h ARG 62 Ca -0.44 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 2jqj h ARG 62 Cb 1.34 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.38 2jqj h ARG 62 CO 0.71 0.44 -0.16 0.66 -1.07 0.00 0.00 179.97 180.56 2jqj h SER 63 N 0.11 0.00 -3.11 7.04 4.64 -1.99 -3.45 113.55 116.78 2jqj h SER 63 Ca 0.01 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.75 2jqj h SER 63 Cb 0.63 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.87 2jqj h SER 63 CO 0.05 0.16 -0.00 0.00 -0.87 0.00 0.00 176.83 176.16 2jqj h ASP 65 N 0.95 0.71 -3.68 0.00 1.82 0.15 -3.42 116.42 112.94 2jqj h ASP 65 Ca -0.45 -0.07 -0.58 0.00 -0.39 0.00 0.00 57.03 55.54 2jqj h ASP 65 Cb 1.36 -0.18 -0.32 0.00 0.68 0.00 0.00 39.33 40.87 2jqj h ASP 65 CO 0.53 0.57 -0.84 -0.69 -1.61 0.00 0.00 179.24 177.20 2jqj s VAL 66 N -5.95 1.51 -0.17 2.25 1.01 0.24 -4.90 120.40 114.40 2jqj s VAL 66 Ca -0.13 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 2jqj s VAL 66 Cb 0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2jqj s VAL 66 CO 0.76 0.44 -0.04 0.27 0.00 0.00 0.00 175.10 176.53 2jqj s ILE 67 N 0.24 3.74 0.00 2.22 -4.36 -1.26 -2.39 121.20 119.39 2jqj s ILE 67 Ca -0.09 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 59.90 2jqj s ILE 67 Cb -0.14 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 40.91 2jqj s ILE 67 CO 0.04 0.47 0.00 0.18 0.24 0.00 0.00 174.94 175.87 2jqj n LEU 68 N 3.90 0.00 0.00 0.37 4.77 -1.17 -4.99 117.00 119.88 2jqj n LEU 68 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2jqj n LEU 68 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2jqj n LEU 68 CO 0.32 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.14 2jqj n SER 69 N 0.00 0.00 0.00 -1.43 2.88 -1.26 -5.02 113.62 108.79 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 -0.62 -1.23 0.00 0.00 175.04 173.19 2jqj n GLU 70 N 0.00 0.00 -0.35 -1.46 1.02 -1.26 -4.94 120.64 113.65 2jqj n GLU 70 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2jqj n GLU 70 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.51 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jqj h PRO 71 N 0.00 1.28 -0.30 3.49 0.13 -2.01 -2.81 132.00 131.78 2jqj h PRO 71 Ca 0.00 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 2jqj h PRO 71 Cb 0.00 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 30.85 2jqj h PRO 71 CO 0.00 0.90 0.00 -0.25 -0.23 0.00 0.00 178.00 178.43 2jqj n ASP 72 N -4.35 3.90 -4.39 1.44 8.00 -1.26 -4.95 116.55 114.94 2jqj n ASP 72 Ca 0.10 -3.08 -0.35 0.00 0.71 0.00 0.00 54.79 52.17 2jqj n ASP 72 Cb 0.07 -0.57 -0.13 0.00 -0.02 0.00 0.00 41.12 40.47 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 -2.87 3.79 0.10 0.53 1.10 -1.06 -4.86 121.20 117.94 2jqj s ILE 73 Ca 0.43 -0.36 -0.26 0.00 -0.51 0.00 0.00 60.65 59.96 2jqj s ILE 73 Cb 0.35 -2.73 -0.06 0.00 0.15 0.00 0.00 42.46 40.17 2jqj s ILE 73 CO 0.09 0.41 0.82 -0.55 -2.11 0.00 0.00 174.94 173.59 2jqj s SER 74 N 1.33 7.34 0.50 4.50 0.15 -1.26 -4.02 113.70 122.22 2jqj s SER 74 Ca 0.04 1.59 0.15 0.00 0.70 0.00 0.00 55.95 58.44 2jqj s SER 74 Cb -0.15 -2.51 1.18 0.00 -1.71 0.00 0.00 66.02 62.84 2jqj s SER 74 CO 0.00 0.06 2.10 0.74 1.20 0.00 0.00 173.24 177.34 2jqj h THR 75 N 3.85 1.04 -0.55 6.45 2.02 -1.90 -1.25 112.91 122.58 2jqj h THR 75 Ca -0.45 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2jqj h THR 75 Cb 1.21 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2jqj h THR 75 CO 0.70 0.06 0.00 0.49 0.37 0.00 0.00 175.52 177.14 2jqj n PHE 76 N -4.47 1.18 0.00 3.16 3.72 -1.26 -4.48 117.46 115.31 2jqj n PHE 76 Ca -0.03 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 2jqj n PHE 76 Cb 0.14 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 0.82 0.00 -3.69 1.38 -0.00 -0.47 -4.49 115.22 108.76 2jqj n HIS 77 Ca 0.22 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.31 2jqj n HIS 77 Cb 0.79 -0.17 -0.03 0.00 -0.12 0.00 0.00 29.99 30.45 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 -2.89 -1.05 -0.03 1.57 0.00 -1.17 -3.60 121.76 114.58 2jqj s ALA 78 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.88 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 -0.13 -1.21 0.00 0.00 0.00 175.76 173.61 2jqj s GLU 79 N -3.85 1.33 -0.12 0.00 8.01 0.16 -2.01 118.70 122.22 2jqj s GLU 79 Ca 0.08 -0.46 0.03 0.00 0.01 0.00 0.00 54.97 54.63 2jqj s GLU 79 Cb -0.01 -1.20 0.00 0.00 -4.31 0.00 0.00 34.13 28.61 2jqj s GLU 79 CO -0.04 0.19 -0.22 -0.06 0.01 0.00 0.00 175.26 175.14 2jqj s PHE 80 N 0.07 2.63 -0.32 1.61 0.40 0.19 0.03 117.98 122.58 2jqj s PHE 80 Ca -0.02 -1.13 -0.17 0.00 -0.60 0.00 0.00 56.93 55.01 2jqj s PHE 80 Cb -0.09 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 2jqj s PHE 80 CO 0.01 -0.48 0.45 -1.01 0.70 0.00 0.00 175.22 174.89 2jqj s HIS 81 N 0.55 3.21 -0.36 0.36 3.76 -0.10 0.20 115.29 122.90 2jqj s HIS 81 Ca -0.13 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.89 2jqj s HIS 81 Cb -0.17 -2.77 0.04 0.00 1.11 0.00 0.00 32.58 30.79 2jqj s HIS 81 CO 0.04 -0.43 0.17 -1.17 -0.85 0.00 0.00 174.74 172.50 2jqj s LEU 82 N 2.22 4.59 -0.02 0.89 2.96 -0.88 -1.02 118.68 127.42 2jqj s LEU 82 Ca 0.16 -1.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.06 2jqj s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2jqj s LEU 82 CO 0.12 -0.37 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.32 2jqj s LEU 83 N 1.48 2.05 -0.25 -0.68 1.98 -1.16 -2.00 118.68 120.10 2jqj s LEU 83 Ca 0.00 -0.42 -0.09 0.00 -2.89 0.00 0.00 54.13 50.73 2jqj s LEU 83 Cb -0.20 -1.19 -0.04 0.00 0.66 0.00 0.00 46.19 45.42 2jqj s LEU 83 CO 0.05 0.28 0.13 -1.58 -1.89 0.00 0.00 176.35 173.34 2jqj s GLN 84 N -0.55 3.89 -0.23 1.98 0.74 -1.26 -2.95 119.66 121.27 2jqj s GLN 84 Ca 0.09 -0.36 0.02 0.00 0.05 0.00 0.00 55.36 55.16 2jqj s GLN 84 Cb -0.09 -3.47 0.05 0.00 1.10 0.00 0.00 33.01 30.60 2jqj s GLN 84 CO -0.01 -0.07 -0.14 1.41 -0.55 0.00 0.00 175.29 175.93 2jqj s MET 85 N 1.38 2.46 -0.23 1.67 1.75 -1.09 -5.05 119.30 120.19 2jqj s MET 85 Ca 0.06 -1.15 -0.06 0.00 -1.25 0.00 0.00 55.69 53.29 2jqj s MET 85 Cb -0.15 -2.76 -0.03 0.00 2.84 0.00 0.00 34.83 34.74 2jqj s MET 85 CO 0.06 -0.45 0.04 0.16 -0.65 0.00 0.00 175.02 174.19 2jqj s ASP 86 N 1.18 5.01 -0.04 1.11 1.47 -1.26 -0.64 116.67 123.50 2jqj s ASP 86 Ca -0.04 -0.21 -0.02 0.00 1.18 0.00 0.00 52.55 53.46 2jqj s ASP 86 Cb -0.18 -1.89 0.03 0.00 -0.34 0.00 0.00 42.92 40.55 2jqj s ASP 86 CO -0.08 -0.00 0.06 0.54 0.68 0.00 0.00 175.17 176.37 2jqj s VAL 87 N 1.40 -0.11 -0.89 2.11 0.11 -1.10 -4.92 120.40 117.00 2jqj s VAL 87 Ca 0.05 0.43 -0.04 0.00 -2.93 0.00 0.00 61.98 59.49 2jqj s VAL 87 Cb -0.15 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2jqj s VAL 87 CO 0.02 0.18 0.78 0.47 -3.33 0.00 0.00 175.10 173.23 2jqj n ASP 88 N 5.29 -7.01 0.00 3.54 9.92 -1.26 -3.74 116.55 123.29 2jqj n ASP 88 Ca -0.03 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.79 2jqj n ASP 88 Cb 0.50 -4.91 0.00 0.00 -0.64 0.00 0.00 41.12 36.07 2jqj n ASP 88 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2jqj n ASN 89 N -2.42 0.00 -4.68 -2.24 5.15 -1.26 -4.80 115.26 105.01 2jqj n ASN 89 Ca -0.05 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.51 2jqj n ASN 89 Cb 0.56 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.78 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 0.00 1.72 -0.15 1.20 0.08 -1.25 -4.98 117.98 114.61 2jqj s PHE 90 Ca 0.00 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 56.79 2jqj s PHE 90 Cb 0.00 -4.21 -0.02 0.00 -0.57 0.00 0.00 43.02 38.22 2jqj s PHE 90 CO 0.00 -5.20 -0.07 1.14 -0.10 0.00 0.00 175.22 170.99 2jqj s GLN 91 N 3.59 3.54 -0.12 0.44 -2.07 -1.26 -2.70 119.66 121.07 2jqj s GLN 91 Ca 0.84 -0.59 -0.04 0.00 -1.82 0.00 0.00 55.36 53.76 2jqj s GLN 91 Cb -0.44 -2.82 -0.03 0.00 -1.09 0.00 0.00 33.01 28.63 2jqj s GLN 91 CO 0.39 0.20 0.01 1.03 -1.32 0.00 0.00 175.29 175.59 2jqj s ARG 92 N 0.45 3.36 -0.19 9.60 0.52 0.18 -4.93 118.95 127.94 2jqj s ARG 92 Ca -0.06 -0.42 -0.10 0.00 -0.52 0.00 0.00 55.73 54.64 2jqj s ARG 92 Cb -0.15 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 2jqj s ARG 92 CO 0.04 0.51 0.13 -0.80 0.02 0.00 0.00 175.30 175.20 2jqj s ASN 93 N -0.33 6.24 -0.10 0.23 0.01 -1.26 -2.68 114.94 117.04 2jqj s ASN 93 Ca 0.07 0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.51 2jqj s ASN 93 Cb -0.12 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.46 2jqj s ASN 93 CO 0.02 0.21 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.85 2jqj s LEU 94 N 0.18 1.98 -0.04 0.60 2.01 -1.15 -4.97 118.68 117.29 2jqj s LEU 94 Ca 0.09 -0.51 0.03 0.00 0.01 0.00 0.00 54.13 53.75 2jqj s LEU 94 Cb -0.11 -1.29 -0.03 0.00 0.01 0.00 0.00 46.19 44.77 2jqj s LEU 94 CO -0.01 0.11 -0.12 -0.63 1.01 0.00 0.00 176.35 176.71 2jqj s ILE 95 N 0.56 3.28 0.01 -0.59 1.09 -1.12 -2.98 121.20 121.45 2jqj s ILE 95 Ca -0.14 -0.72 0.05 0.00 -1.10 0.00 0.00 60.65 58.74 2jqj s ILE 95 Cb -0.17 -2.33 -0.03 0.00 -1.06 0.00 0.00 42.46 38.87 2jqj s ILE 95 CO 0.05 0.54 -0.13 0.21 -0.10 0.00 0.00 174.94 175.50 2jqj s ASN 96 N -0.92 4.12 -0.19 3.58 2.47 -0.19 0.10 114.94 123.91 2jqj s ASN 96 Ca 0.13 -0.29 -0.06 0.00 0.42 0.00 0.00 52.86 53.06 2jqj s ASN 96 Cb -0.11 -0.81 -0.03 0.00 -1.45 0.00 0.00 41.25 38.85 2jqj s ASN 96 CO 0.02 0.28 0.02 -0.69 -3.72 0.00 0.00 177.10 173.01 2jqj s VAL 97 N -0.92 4.21 -0.12 -5.21 1.01 0.16 -0.92 120.40 118.62 2jqj s VAL 97 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2jqj s VAL 97 Cb -0.11 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.40 2jqj s VAL 97 CO 0.05 0.44 -0.10 -0.63 0.00 0.00 0.00 175.10 174.86 2jqj s ILE 98 N 0.77 1.17 -0.06 2.22 1.09 0.10 -2.89 121.20 123.60 2jqj s ILE 98 Ca 0.01 -0.39 0.03 0.00 -1.10 0.00 0.00 60.65 59.20 2jqj s ILE 98 Cb -0.14 -1.15 -0.02 0.00 -1.06 0.00 0.00 42.46 40.09 2jqj s ILE 98 CO 0.02 0.39 -0.14 -0.62 -0.10 0.00 0.00 174.94 174.49 2jqj s ASP 99 N 1.55 4.02 -0.00 3.58 -1.08 -1.26 0.38 116.67 123.86 2jqj s ASP 99 Ca 0.03 -0.21 0.20 0.00 -0.52 0.00 0.00 52.55 52.05 2jqj s ASP 99 Cb -0.13 -0.94 -0.23 0.00 -1.46 0.00 0.00 42.92 40.16 2jqj s ASP 99 CO -0.08 0.32 0.80 0.29 0.52 0.00 0.00 175.17 177.03 2jqj n LYS 100 N 2.46 0.44 -2.22 4.34 4.76 -1.24 -5.01 118.16 121.71 2jqj n LYS 100 Ca -0.17 -0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.21 2jqj n LYS 100 Cb 0.52 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 2jqj n LYS 100 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2jqj n SER 101 N -1.55 -2.33 0.01 4.39 7.64 -1.26 -5.07 113.62 115.46 2jqj n SER 101 Ca 0.03 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2jqj n SER 101 Cb 0.33 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 2jqj n SER 101 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jqj n ARG 102 N 1.26 0.00 -0.05 1.43 5.12 -1.26 -4.98 116.66 118.18 2jqj n ARG 102 Ca -0.24 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.63 2jqj n ARG 102 Cb 0.37 -0.03 -0.07 0.00 -1.16 0.00 0.00 32.46 31.57 2jqj n ARG 102 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2jqj n ASN 103 N -2.60 2.83 0.00 0.55 6.94 -1.26 -5.06 115.26 116.66 2jqj n ASN 103 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 2jqj n ASN 103 Cb 0.00 0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 2jqj n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jqj n GLY 104 N 2.57 1.55 3.16 4.83 0.00 -1.26 -4.98 105.19 111.05 2jqj n GLY 104 Ca -0.16 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 2.09 -0.03 2.61 2.01 -1.26 0.31 115.64 121.36 2jqj s THR 105 Ca 0.00 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.11 2jqj s THR 105 Cb 0.00 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 2jqj s THR 105 CO 0.00 0.55 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.87 2jqj s PHE 106 N 0.92 2.24 -0.04 4.92 0.40 -0.13 -4.14 117.98 122.15 2jqj s PHE 106 Ca -0.04 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 55.83 2jqj s PHE 106 Cb -0.15 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 2jqj s PHE 106 CO -0.04 -0.11 -0.23 -1.50 0.70 0.00 0.00 175.22 174.04 2jqj s ILE 107 N -0.40 1.88 -1.78 0.64 1.10 -0.07 -0.77 121.20 121.80 2jqj s ILE 107 Ca 0.04 -0.99 -0.00 0.00 -0.51 0.00 0.00 60.65 59.19 2jqj s ILE 107 Cb -0.11 -1.58 0.00 0.00 0.15 0.00 0.00 42.46 40.92 2jqj s ILE 107 CO 0.01 0.53 0.05 0.59 -2.11 0.00 0.00 174.94 174.01 2jqj n ASN 108 N 2.79 -5.97 -0.20 4.50 5.03 -0.11 -1.01 115.26 120.29 2jqj n ASN 108 Ca -0.17 -0.04 -0.03 0.00 0.87 0.00 0.00 54.58 55.21 2jqj n ASN 108 Cb 0.52 -4.95 -0.01 0.00 -1.02 0.00 0.00 39.78 34.32 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 -1.06 0.52 3.21 7.41 0.00 -1.26 -5.00 105.19 109.02 2jqj n GLY 109 Ca -0.24 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 2jqj n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqj s ASN 110 N -2.28 1.91 0.35 1.61 0.01 -0.18 -5.13 114.94 111.23 2jqj s ASN 110 Ca 0.00 -0.71 -0.26 0.00 -0.71 0.00 0.00 52.86 51.18 2jqj s ASN 110 Cb 0.00 -0.07 -0.09 0.00 0.41 0.00 0.00 41.25 41.50 2jqj s ASN 110 CO 0.00 -0.09 1.06 -0.60 -1.51 0.00 0.00 177.10 175.96 2jqj s ARG 111 N -2.17 4.37 0.28 -0.60 3.52 -1.26 -0.89 118.95 122.19 2jqj s ARG 111 Ca 0.04 1.63 -0.29 0.00 -0.13 0.00 0.00 55.73 56.97 2jqj s ARG 111 Cb -0.08 -2.82 -0.10 0.00 -1.56 0.00 0.00 34.95 30.40 2jqj s ARG 111 CO 0.03 0.02 1.25 -0.51 -0.81 0.00 0.00 175.30 175.28 2jqj s LEU 112 N -2.13 4.46 0.00 -0.88 2.01 -1.26 -4.89 118.68 115.99 2jqj s LEU 112 Ca 0.52 2.49 0.00 0.00 0.01 0.00 0.00 54.13 57.15 2jqj s LEU 112 Cb -0.26 -3.63 0.00 0.00 0.01 0.00 0.00 46.19 42.31 2jqj s LEU 112 CO 0.33 -0.43 0.00 1.33 1.01 0.00 0.00 176.35 178.59 2jqj n VAL 113 N 1.47 0.00 -2.63 -1.59 0.24 -1.26 -5.10 118.33 109.45 2jqj n VAL 113 Ca 0.02 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.06 2jqj n VAL 113 Cb 0.43 -0.53 0.02 0.00 -1.47 0.00 0.00 33.84 32.28 2jqj n VAL 113 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2jqj s LYS 114 N -1.72 3.17 -0.40 7.34 2.20 -1.26 -5.01 119.74 124.07 2jqj s LYS 114 Ca 0.00 -0.05 0.05 0.00 -0.36 0.00 0.00 55.97 55.61 2jqj s LYS 114 Cb 0.00 -2.38 0.56 0.00 -1.51 0.00 0.00 37.83 34.50 2jqj s LYS 114 CO 0.00 -0.42 1.68 1.63 -0.36 0.00 0.00 175.35 177.88 2jqj n LYS 115 N -2.35 2.21 -2.73 4.03 4.76 -1.26 -4.63 118.16 118.19 2jqj n LYS 115 Ca 0.02 -3.21 -0.08 0.00 -2.87 0.00 0.00 58.31 52.17 2jqj n LYS 115 Cb 0.57 -2.04 0.07 0.00 -1.84 0.00 0.00 35.03 31.79 2jqj n LYS 115 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2jqj n ASP 116 N -1.08 -2.52 -4.77 4.39 8.00 -1.26 -4.96 116.55 114.35 2jqj n ASP 116 Ca 0.47 -3.30 -0.39 0.00 0.71 0.00 0.00 54.79 52.28 2jqj n ASP 116 Cb 1.22 1.78 -0.06 0.00 -0.02 0.00 0.00 41.12 44.04 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2jqj s TYR 117 N 0.47 3.88 -0.26 1.24 2.02 -1.14 -4.92 117.35 118.64 2jqj s TYR 117 Ca 0.27 1.62 -0.12 0.00 -0.37 0.00 0.00 57.07 58.47 2jqj s TYR 117 Cb 0.25 -2.78 -0.05 0.00 -0.40 0.00 0.00 41.96 38.99 2jqj s TYR 117 CO -0.16 0.48 0.24 -1.50 -1.57 0.00 0.00 175.55 173.04 2jqj s ILE 118 N -0.97 5.28 -0.16 2.71 1.10 -1.26 0.40 121.20 128.30 2jqj s ILE 118 Ca 0.36 0.30 -0.07 0.00 -0.51 0.00 0.00 60.65 60.74 2jqj s ILE 118 Cb -0.23 -3.58 -0.04 0.00 0.15 0.00 0.00 42.46 38.76 2jqj s ILE 118 CO 0.26 0.25 0.07 -0.22 -2.11 0.00 0.00 174.94 173.19 2jqj s LEU 119 N 1.65 3.92 0.44 8.50 2.96 0.29 -4.91 118.68 131.53 2jqj s LEU 119 Ca 0.10 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 2jqj s LEU 119 Cb -0.15 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2jqj s LEU 119 CO 0.09 0.24 0.08 -0.75 -1.32 0.00 0.00 176.35 174.69 2jqj s LYS 120 N -0.01 2.02 0.44 1.98 2.47 -1.26 -2.80 119.74 122.58 2jqj s LYS 120 Ca 0.07 -2.26 -0.25 0.00 -1.56 0.00 0.00 55.97 51.97 2jqj s LYS 120 Cb -0.12 -0.94 -0.08 0.00 -1.46 0.00 0.00 37.83 35.22 2jqj s LYS 120 CO 0.01 -0.43 1.36 0.54 0.16 0.00 0.00 175.35 176.99 2jqj s ASN 121 N -3.70 6.02 -0.64 1.43 2.20 -1.26 -3.53 114.94 115.46 2jqj s ASN 121 Ca 0.18 2.78 -0.00 0.00 -0.94 0.00 0.00 52.86 54.87 2jqj s ASN 121 Cb 0.02 -2.64 -0.00 0.00 -2.00 0.00 0.00 41.25 36.63 2jqj s ASN 121 CO 0.11 -1.06 0.53 0.61 -2.94 0.00 0.00 177.10 174.34 2jqj n GLY 122 N 0.62 0.01 3.39 0.45 0.00 -0.19 -5.00 105.19 104.47 2jqj n GLY 122 Ca 0.05 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2jqj n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jqj s ASP 123 N -3.70 3.48 -0.22 1.61 1.11 -1.16 -4.97 116.67 112.82 2jqj s ASP 123 Ca 0.01 -0.42 -0.10 0.00 0.18 0.00 0.00 52.55 52.22 2jqj s ASP 123 Cb -0.00 -0.51 -0.05 0.00 1.07 0.00 0.00 42.92 43.43 2jqj s ASP 123 CO 0.39 0.30 0.13 -0.13 1.18 0.00 0.00 175.17 177.03 2jqj s ARG 124 N -0.98 4.07 -0.04 8.23 0.52 -1.26 -1.76 118.95 127.73 2jqj s ARG 124 Ca 0.12 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.11 2jqj s ARG 124 Cb -0.10 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 2jqj s ARG 124 CO 0.02 0.16 -0.21 0.42 0.02 0.00 0.00 175.30 175.70 2jqj s ILE 125 N 0.75 1.70 -0.12 1.52 1.09 0.26 -0.94 121.20 125.47 2jqj s ILE 125 Ca 0.07 -0.89 0.02 0.00 -1.10 0.00 0.00 60.65 58.74 2jqj s ILE 125 Cb -0.13 -1.44 0.02 0.00 -1.06 0.00 0.00 42.46 39.85 2jqj s ILE 125 CO 0.02 0.48 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.49 2jqj s VAL 126 N -0.21 1.63 -0.12 2.92 1.01 0.05 -0.20 120.40 125.48 2jqj s VAL 126 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2jqj s VAL 126 Cb -0.11 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2jqj s VAL 126 CO 0.02 0.47 -0.09 -0.36 0.00 0.00 0.00 175.10 175.13 2jqj s PHE 127 N 1.07 2.89 0.00 5.22 0.40 0.30 -0.95 117.98 126.90 2jqj s PHE 127 Ca -0.04 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2jqj s PHE 127 Cb -0.15 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.56 2jqj s PHE 127 CO -0.04 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.29 2jqj n GLY 128 N 3.14 2.06 0.00 4.36 0.00 0.15 -2.99 105.19 111.90 2jqj n GLY 128 Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.00 -0.08 1.61 4.81 -1.25 -4.39 118.16 118.86 2jqj n LYS 129 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2jqj n LYS 129 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 2jqj n LYS 129 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2jqj n SER 130 N 0.00 2.46 -4.49 3.14 7.64 -1.25 -4.94 113.62 116.17 2jqj n SER 130 Ca 0.00 -0.03 -0.45 0.00 1.01 0.00 0.00 58.87 59.41 2jqj n SER 130 Cb 0.00 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 62.83 2jqj n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jqj s SER 132 N 8.97 2.41 0.04 0.00 1.04 -1.26 0.11 113.70 125.01 2jqj s SER 132 Ca 1.11 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 57.11 2jqj s SER 132 Cb -0.72 -0.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.67 2jqj s SER 132 CO 0.42 0.17 0.04 0.72 0.98 0.00 0.00 173.24 175.57 2jqj s PHE 133 N 0.04 0.29 -0.07 5.02 -0.71 0.72 -0.01 117.98 123.26 2jqj s PHE 133 Ca -0.05 -0.65 0.02 0.00 -1.04 0.00 0.00 56.93 55.21 2jqj s PHE 133 Cb -0.13 -0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.44 2jqj s PHE 133 CO 0.03 -0.33 -0.11 -1.17 -1.34 0.00 0.00 175.22 172.30 2jqj s LEU 134 N -2.17 2.90 -0.05 -1.99 2.96 0.11 -0.57 118.68 119.87 2jqj s LEU 134 Ca -0.04 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2jqj s LEU 134 Cb -0.01 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2jqj s LEU 134 CO -0.05 0.32 -0.02 0.12 -1.32 0.00 0.00 176.35 175.40 2jqj s PHE 135 N -0.58 3.07 0.04 5.38 5.36 -0.72 -1.33 117.98 129.19 2jqj s PHE 135 Ca 0.08 0.11 -0.20 0.00 -0.96 0.00 0.00 56.93 55.97 2jqj s PHE 135 Cb -0.11 -1.73 0.04 0.00 -0.34 0.00 0.00 43.02 40.88 2jqj s PHE 135 CO 0.02 0.43 0.46 -1.59 -1.46 0.00 0.00 175.22 173.08 2jqj s LYS 136 N -1.08 0.96 0.12 10.12 -2.85 -1.03 -1.02 119.74 124.96 2jqj s LYS 136 Ca 0.15 -0.26 -0.23 0.00 -1.00 0.00 0.00 55.97 54.62 2jqj s LYS 136 Cb -0.11 0.43 -0.07 0.00 -2.06 0.00 0.00 37.83 36.02 2jqj s LYS 136 CO 0.04 -0.33 0.70 0.71 0.10 0.00 0.00 175.35 176.58 2jqj s TYR 137 N -2.31 3.86 -0.03 1.78 2.02 -1.26 -0.35 117.35 121.06 2jqj s TYR 137 Ca -0.06 1.49 0.12 0.00 -0.37 0.00 0.00 57.07 58.25 2jqj s TYR 137 Cb -0.01 -2.67 -0.23 0.00 -0.40 0.00 0.00 41.96 38.65 2jqj s TYR 137 CO -0.01 0.53 0.70 0.00 -1.57 0.00 0.00 175.55 175.20 2jqj h ALA 138 N 4.49 0.75 -2.33 3.71 0.00 0.44 -3.46 119.26 122.85 2jqj h ALA 138 Ca -0.48 -1.43 -0.51 0.00 0.00 0.00 0.00 54.91 52.49 2jqj h ALA 138 Cb 1.21 0.45 0.11 0.00 0.00 0.00 0.00 17.79 19.55 2jqj h ALA 138 CO 0.65 1.57 0.35 -1.12 0.00 0.00 0.00 179.25 180.70 2jqj s SER 139 N -6.14 5.02 0.25 0.00 0.01 -1.13 -5.01 113.70 106.70 2jqj s SER 139 Ca -0.04 1.66 0.01 0.00 1.31 0.00 0.00 55.95 58.89 2jqj s SER 139 Cb 0.08 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 2jqj s SER 139 CO 0.82 -1.68 0.09 -0.44 0.41 0.00 0.00 173.24 172.44 2jqj s SER 140 N -3.67 1.16 -0.04 2.44 0.01 -1.26 -5.07 113.70 107.26 2jqj s SER 140 Ca 0.59 -1.37 -0.21 0.00 1.31 0.00 0.00 55.95 56.27 2jqj s SER 140 Cb -0.15 0.17 -0.32 0.00 0.21 0.00 0.00 66.02 65.93 2jqj s SER 140 CO 0.55 -0.72 0.89 0.77 0.41 0.00 0.00 173.24 175.14 2jqj h SER 141 N 2.42 0.50 -3.40 2.44 4.64 -1.98 -3.44 113.55 114.73 2jqj h SER 141 Ca -0.38 -0.95 -0.60 0.00 -0.47 0.00 0.00 61.79 59.39 2jqj h SER 141 Cb 1.24 -0.16 -0.12 0.00 -0.31 0.00 0.00 62.40 63.05 2jqj h SER 141 CO 0.61 1.43 -0.40 -0.44 -0.87 0.00 0.00 176.83 177.16 2jqj s SER 142 N -7.04 6.28 -0.61 4.97 0.01 -1.26 -5.05 113.70 111.01 2jqj s SER 142 Ca -0.13 0.32 -0.01 0.00 1.31 0.00 0.00 55.95 57.43 2jqj s SER 142 Cb 0.01 -2.14 0.16 0.00 0.21 0.00 0.00 66.02 64.26 2jqj s SER 142 CO 0.84 0.09 0.40 -0.89 0.41 0.00 0.00 173.24 174.09 2jqj s THR 143 N 0.74 3.44 0.24 1.44 2.01 -1.26 -4.77 115.64 117.48 2jqj s THR 143 Ca 0.12 -3.09 0.00 0.00 0.31 0.00 0.00 61.69 59.03 2jqj s THR 143 Cb -0.13 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.11 2jqj s THR 143 CO 0.03 -0.86 0.00 0.47 -0.69 0.00 0.00 174.62 173.56 2jqj n ASP 144 N 3.34 -1.05 -1.74 3.53 8.00 -1.26 -4.90 116.55 122.47 2jqj n ASP 144 Ca 0.08 0.44 -0.06 0.00 0.71 0.00 0.00 54.79 55.95 2jqj n ASP 144 Cb 0.36 1.14 0.27 0.00 -0.02 0.00 0.00 41.12 42.87 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 -3.16 2.82 -4.33 0.53 5.41 -1.26 -4.95 119.36 114.42 2jqj n ILE 145 Ca 0.00 -1.89 -0.23 0.00 1.00 0.00 0.00 62.75 61.63 2jqj n ILE 145 Cb 0.00 -0.35 -0.08 0.00 -0.71 0.00 0.00 39.64 38.50 2jqj n ILE 145 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2jqj s GLU 146 N -3.05 2.18 -0.60 0.38 2.12 -1.26 -5.09 118.70 113.38 2jqj s GLU 146 Ca 0.52 -1.48 -0.14 0.00 0.36 0.00 0.00 54.97 54.23 2jqj s GLU 146 Cb 0.43 -2.09 0.15 0.00 0.26 0.00 0.00 34.13 32.88 2jqj s GLU 146 CO 0.10 0.36 0.54 -0.80 -0.54 0.00 0.00 175.26 174.92 2jqj s ASN 147 N -3.65 6.20 0.00 -1.70 -0.87 -1.26 -4.80 114.94 108.87 2jqj s ASN 147 Ca 0.31 -2.08 0.00 0.00 -1.57 0.00 0.00 52.86 49.52 2jqj s ASN 147 Cb -0.06 -2.16 0.00 0.00 -0.02 0.00 0.00 41.25 39.01 2jqj s ASN 147 CO 0.19 -0.74 0.00 0.47 -2.57 0.00 0.00 177.10 174.45 2jqj n ASP 148 N 4.80 0.69 0.00 -1.22 9.92 -1.26 -5.02 116.55 124.45 2jqj n ASP 148 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2jqj n ASP 148 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 2jqj n ASP 148 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2jqj n ASP 149 N -2.91 0.00 -2.73 -2.24 5.68 -1.26 -5.12 116.55 107.97 2jqj n ASP 149 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2jqj n ASP 149 Cb 0.49 0.14 -0.00 0.00 -1.14 0.00 0.00 41.12 40.61 2jqj n ASP 149 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2jqj n GLU 150 N -2.45 -3.47 -3.91 0.11 4.07 -1.26 -4.99 120.64 108.75 2jqj n GLU 150 Ca 0.00 2.77 -0.29 0.00 -0.06 0.00 0.00 57.16 59.58 2jqj n GLU 150 Cb 0.00 -5.24 -0.13 0.00 -0.06 0.00 0.00 31.44 26.01 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 -1.57 2.02 -0.08 5.31 2.20 -1.26 -5.08 119.74 121.28 2jqj s LYS 151 Ca -0.01 -2.75 -0.30 0.00 -0.36 0.00 0.00 55.97 52.55 2jqj s LYS 151 Cb 0.00 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2jqj s LYS 151 CO 0.76 -1.16 1.13 0.08 -0.36 0.00 0.00 175.35 175.80 2jqj s VAL 152 N -0.53 4.44 0.49 4.02 1.01 -1.26 -5.04 120.40 123.53 2jqj s VAL 152 Ca 0.19 1.75 0.01 0.00 0.00 0.00 0.00 61.98 63.93 2jqj s VAL 152 Cb -0.20 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.07 2jqj s VAL 152 CO -0.05 -0.01 0.71 -0.44 0.00 0.00 0.00 175.10 175.31 2jqj s SER 153 N 1.36 5.62 -0.20 3.32 0.01 -1.26 -5.12 113.70 117.44 2jqj s SER 153 Ca 0.53 0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.66 2jqj s SER 153 Cb -0.22 -1.27 0.14 0.00 0.21 0.00 0.00 66.02 64.88 2jqj s SER 153 CO 0.20 -0.87 1.08 -0.55 0.41 0.00 0.00 173.24 173.52 2jqj s SER 154 N -4.30 -0.30 0.41 2.44 0.15 -1.26 -5.16 113.70 105.68 2jqj s SER 154 Ca 0.52 0.35 -0.23 0.00 0.70 0.00 0.00 55.95 57.29 2jqj s SER 154 Cb -0.10 0.28 -0.09 0.00 -1.71 0.00 0.00 66.02 64.39 2jqj s SER 154 CO 0.38 -0.26 1.01 -1.83 1.20 0.00 0.00 173.24 173.74 2jqj s GLU 155 N -0.99 4.17 0.39 5.44 -1.05 -1.26 -4.93 118.70 120.48 2jqj s GLU 155 Ca 0.01 1.37 0.00 0.00 -0.15 0.00 0.00 54.97 56.20 2jqj s GLU 155 Cb -0.01 -2.42 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2jqj s GLU 155 CO -0.01 -0.11 0.00 0.43 0.95 0.00 0.00 175.26 176.52 2jqj n SER 156 N -0.27 -2.15 -4.74 0.83 7.64 -1.26 -5.11 113.62 108.57 2jqj n SER 156 Ca 0.06 0.71 -0.35 0.00 1.01 0.00 0.00 58.87 60.29 2jqj n SER 156 Cb 0.51 2.12 -0.08 0.00 -1.01 0.00 0.00 64.21 65.75 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 -2.00 3.71 0.51 1.43 3.00 -1.26 -5.10 118.95 119.24 2jqj s ARG 157 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 55.73 55.47 2jqj s ARG 157 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 34.95 31.77 2jqj s ARG 157 CO 0.00 0.50 0.02 -1.13 0.00 0.00 0.00 175.30 174.69 2jqj n SER 158 N 2.84 3.37 0.00 0.23 3.41 -1.26 -5.26 113.62 116.96 2jqj n SER 158 Ca -0.18 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 2jqj n SER 158 Cb 0.53 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 2jqj n SER 158 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66