#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 0.00 -4.46 1.97 1.85 -1.26 -5.09 116.66 109.67 2jqj n ARG 20 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2jqj n ARG 20 Cb 0.00 -0.34 -0.10 0.00 -1.05 0.00 0.00 32.46 30.97 2jqj n ARG 20 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2jqj s GLN 21 N -1.78 2.58 -0.61 2.89 -1.52 -1.26 -5.07 119.66 114.88 2jqj s GLN 21 Ca 0.00 -0.70 -0.27 0.00 -1.95 0.00 0.00 55.36 52.44 2jqj s GLN 21 Cb 0.00 -2.52 0.03 0.00 -0.22 0.00 0.00 33.01 30.31 2jqj s GLN 21 CO 0.00 0.61 1.16 -0.65 -0.25 0.00 0.00 175.29 176.16 2jqj s GLN 22 N -1.37 3.40 0.19 2.91 1.11 -1.26 -4.40 119.66 120.23 2jqj s GLN 22 Ca 0.17 0.02 0.00 0.00 0.01 0.00 0.00 55.36 55.56 2jqj s GLN 22 Cb -0.11 -4.07 0.00 0.00 -1.01 0.00 0.00 33.01 27.82 2jqj s GLN 22 CO 0.07 -1.76 0.00 -2.13 0.01 0.00 0.00 175.29 171.48 2jqj n ARG 23 N 8.47 0.00 -2.64 2.91 3.00 -1.26 -5.07 116.66 122.08 2jqj n ARG 23 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.49 2jqj n ARG 23 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.92 2jqj n ARG 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jqj s SER 24 N -1.78 6.32 0.32 6.15 0.15 -1.26 -4.99 113.70 118.62 2jqj s SER 24 Ca 0.00 -1.02 0.10 0.00 0.70 0.00 0.00 55.95 55.73 2jqj s SER 24 Cb 0.00 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2jqj s SER 24 CO 0.00 -1.59 -0.05 0.21 1.20 0.00 0.00 173.24 173.01 2jqj s ASN 25 N 4.12 4.01 -0.04 5.45 2.47 -1.26 -5.10 114.94 124.60 2jqj s ASN 25 Ca 0.36 -1.01 -0.02 0.00 0.42 0.00 0.00 52.86 52.61 2jqj s ASN 25 Cb -0.06 -0.48 -0.04 0.00 -1.45 0.00 0.00 41.25 39.21 2jqj s ASN 25 CO 0.04 -0.16 0.08 -0.54 -3.72 0.00 0.00 177.10 172.80 2jqj s LYS 26 N -3.65 3.14 0.45 0.43 3.01 -1.26 -5.09 119.74 116.76 2jqj s LYS 26 Ca 0.33 -0.40 -0.23 0.00 -1.01 0.00 0.00 55.97 54.66 2jqj s LYS 26 Cb -0.01 -2.92 -0.08 0.00 -1.01 0.00 0.00 37.83 33.82 2jqj s LYS 26 CO 0.18 0.68 1.16 -1.25 0.51 0.00 0.00 175.35 176.63 2jqj s PRO 27 N -1.44 3.79 0.03 -1.68 0.04 -1.26 -4.97 135.00 129.51 2jqj s PRO 27 Ca 0.20 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2jqj s PRO 27 Cb -0.12 -2.43 -0.26 0.00 0.04 0.00 0.00 34.50 31.73 2jqj s PRO 27 CO 0.10 -0.52 0.95 0.66 0.04 0.00 0.00 177.00 178.23 2jqj h SER 28 N 2.10 0.28 -4.31 6.66 4.64 -2.09 -3.47 113.55 117.36 2jqj h SER 28 Ca -0.49 -0.37 -0.17 0.00 -0.47 0.00 0.00 61.79 60.29 2jqj h SER 28 Cb 1.24 -0.09 -0.24 0.00 -0.31 0.00 0.00 62.40 63.01 2jqj h SER 28 CO 0.60 1.30 -0.51 -0.55 -0.87 0.00 0.00 176.83 176.81 2jqj s SER 29 N -6.85 -0.09 0.32 4.97 0.15 -1.26 -5.17 113.70 105.77 2jqj s SER 29 Ca -0.06 0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.77 2jqj s SER 29 Cb 0.08 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 2jqj s SER 29 CO 0.85 -0.20 0.25 -0.70 1.20 0.00 0.00 173.24 174.64 2jqj s GLU 30 N -0.56 2.69 -0.30 5.44 2.12 -1.26 -5.12 118.70 121.71 2jqj s GLU 30 Ca -0.06 -1.30 -0.11 0.00 0.36 0.00 0.00 54.97 53.85 2jqj s GLU 30 Cb -0.04 -2.44 0.17 0.00 0.26 0.00 0.00 34.13 32.08 2jqj s GLU 30 CO 0.01 0.15 0.89 0.71 -0.54 0.00 0.00 175.26 176.48 2jqj s TYR 31 N -2.30 -0.89 0.26 5.30 1.51 -1.26 -4.87 117.35 115.10 2jqj s TYR 31 Ca 0.39 1.26 0.02 0.00 -1.01 0.00 0.00 57.07 57.74 2jqj s TYR 31 Cb -0.06 0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 42.19 2jqj s TYR 31 CO 0.26 -0.46 0.42 0.99 -1.11 0.00 0.00 175.55 175.64 2jqj s THR 32 N 2.71 5.20 0.33 -0.71 2.01 -1.26 -4.82 115.64 119.10 2jqj s THR 32 Ca 0.02 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2jqj s THR 32 Cb -0.09 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.47 2jqj s THR 32 CO -0.17 -0.36 1.56 0.00 -0.69 0.00 0.00 174.62 174.96 2jqj n LEU 34 N 1.42 0.74 0.00 0.00 0.00 -1.02 -4.92 117.00 113.21 2jqj n LEU 34 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.06 2jqj n LEU 34 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.80 2jqj n LEU 34 CO 0.64 -0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.64 2jqj n GLY 35 N 2.36 2.45 3.30 -3.96 0.00 -1.10 0.85 105.19 109.09 2jqj n GLY 35 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 -7.04 0.37 -0.25 1.61 3.76 -0.57 -1.47 115.29 111.70 2jqj s HIS 36 Ca 0.00 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 2jqj s HIS 36 Cb 0.00 -0.08 0.07 0.00 1.11 0.00 0.00 32.58 33.68 2jqj s HIS 36 CO 0.00 -0.67 -0.02 -0.51 -0.85 0.00 0.00 174.74 172.70 2jqj s LEU 37 N -2.95 2.54 -0.26 0.89 1.02 0.59 -2.93 118.68 117.58 2jqj s LEU 37 Ca 0.15 -1.27 -0.13 0.00 0.02 0.00 0.00 54.13 52.90 2jqj s LEU 37 Cb 0.04 -1.11 -0.04 0.00 0.02 0.00 0.00 46.19 45.10 2jqj s LEU 37 CO -0.02 -0.28 0.26 -0.69 0.02 0.00 0.00 176.35 175.64 2jqj s VAL 38 N 1.44 5.27 -0.31 -1.59 1.01 -1.12 -0.72 120.40 124.38 2jqj s VAL 38 Ca -0.02 0.36 -0.21 0.00 0.00 0.00 0.00 61.98 62.12 2jqj s VAL 38 Cb -0.18 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2jqj s VAL 38 CO -0.09 0.25 0.64 0.20 0.00 0.00 0.00 175.10 176.10 2jqj s ASN 39 N 1.45 6.50 -0.56 3.32 0.01 0.17 -1.16 114.94 124.67 2jqj s ASN 39 Ca 0.11 0.41 -0.28 0.00 -0.71 0.00 0.00 52.86 52.40 2jqj s ASN 39 Cb -0.15 -2.34 0.03 0.00 0.41 0.00 0.00 41.25 39.20 2jqj s ASN 39 CO 0.09 -0.50 1.14 -0.76 -1.51 0.00 0.00 177.10 175.55 2jqj s LEU 40 N 2.65 3.58 -0.01 0.60 1.43 -0.86 -2.87 118.68 123.20 2jqj s LEU 40 Ca 0.26 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 2jqj s LEU 40 Cb -0.15 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 2jqj s LEU 40 CO 0.12 -1.41 -0.21 -0.63 0.23 0.00 0.00 176.35 174.45 2jqj s ILE 41 N 4.72 1.63 -1.19 -0.59 1.01 -1.10 -4.80 121.20 120.89 2jqj s ILE 41 Ca 0.41 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 2jqj s ILE 41 Cb -0.08 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2jqj s ILE 41 CO 0.25 0.42 1.82 -2.16 0.00 0.00 0.00 174.94 175.27 2jqj s PRO 42 N -0.60 3.15 0.00 2.79 0.04 -1.26 -2.46 135.00 136.66 2jqj s PRO 42 Ca 0.08 -1.40 0.00 0.00 0.04 0.00 0.00 61.00 59.72 2jqj s PRO 42 Cb -0.08 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.11 2jqj s PRO 42 CO -0.00 -3.14 0.00 0.41 0.04 0.00 0.00 177.00 174.30 2jqj n GLY 43 N 5.84 0.53 3.75 0.56 0.00 -1.26 -5.13 105.19 109.47 2jqj n GLY 43 Ca 0.45 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.51 2jqj n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqj s LYS 44 N 0.00 0.10 0.11 1.61 -2.85 -1.03 -5.18 119.74 112.49 2jqj s LYS 44 Ca 0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 55.97 54.95 2jqj s LYS 44 Cb 0.00 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.76 2jqj s LYS 44 CO 0.00 -0.05 -0.10 -1.21 0.10 0.00 0.00 175.35 174.09 2jqj s GLU 45 N -2.06 0.89 -0.17 1.78 0.41 -1.26 -2.71 118.70 115.58 2jqj s GLU 45 Ca 0.21 -1.22 -0.03 0.00 -0.41 0.00 0.00 54.97 53.53 2jqj s GLU 45 Cb 0.04 -0.55 0.05 0.00 -1.78 0.00 0.00 34.13 31.90 2jqj s GLU 45 CO -0.05 0.08 0.03 -1.14 -0.49 0.00 0.00 175.26 173.70 2jqj s GLN 46 N -3.00 0.58 -0.15 1.61 0.74 -1.14 -4.94 119.66 113.36 2jqj s GLN 46 Ca 0.08 -0.27 -0.05 0.00 0.05 0.00 0.00 55.36 55.16 2jqj s GLN 46 Cb -0.02 -1.84 -0.04 0.00 1.10 0.00 0.00 33.01 32.22 2jqj s GLN 46 CO -0.00 -0.57 0.03 -1.59 -0.55 0.00 0.00 175.29 172.60 2jqj s LYS 47 N 1.91 3.69 0.14 1.67 -2.85 -1.25 0.44 119.74 123.48 2jqj s LYS 47 Ca 0.01 -0.39 0.10 0.00 -1.00 0.00 0.00 55.97 54.69 2jqj s LYS 47 Cb -0.16 -3.05 -0.04 0.00 -2.06 0.00 0.00 37.83 32.52 2jqj s LYS 47 CO -0.07 0.37 -0.25 0.08 0.10 0.00 0.00 175.35 175.58 2jqj s VAL 48 N 0.06 2.17 -0.13 1.79 1.01 0.11 -4.90 120.40 120.50 2jqj s VAL 48 Ca 0.03 -1.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.08 2jqj s VAL 48 Cb -0.13 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2jqj s VAL 48 CO 0.01 0.00 0.35 -1.61 0.00 0.00 0.00 175.10 173.86 2jqj s GLU 49 N -2.19 4.22 -0.16 2.72 2.02 -1.26 -0.30 118.70 123.74 2jqj s GLU 49 Ca 0.14 0.21 -0.00 0.00 0.02 0.00 0.00 54.97 55.34 2jqj s GLU 49 Cb -0.09 -3.40 -0.00 0.00 0.10 0.00 0.00 34.13 30.74 2jqj s GLU 49 CO 0.07 0.28 -0.14 -1.50 0.02 0.00 0.00 175.26 173.98 2jqj s ILE 50 N 0.30 2.71 0.39 -1.63 2.07 -0.54 -4.95 121.20 119.55 2jqj s ILE 50 Ca 0.20 -0.75 0.07 0.00 -1.41 0.00 0.00 60.65 58.76 2jqj s ILE 50 Cb -0.14 -2.15 -0.00 0.00 0.13 0.00 0.00 42.46 40.30 2jqj s ILE 50 CO 0.06 0.51 0.50 0.42 -1.91 0.00 0.00 174.94 174.53 2jqj s THR 51 N 0.90 3.36 -1.51 4.00 -4.23 -1.26 -2.44 115.64 114.45 2jqj s THR 51 Ca -0.04 -1.05 -0.12 0.00 -1.18 0.00 0.00 61.69 59.30 2jqj s THR 51 Cb -0.15 -3.15 -0.00 0.00 1.34 0.00 0.00 72.50 70.54 2jqj s THR 51 CO -0.01 -0.06 2.48 -0.46 -0.54 0.00 0.00 174.62 176.03 2jqj n ASN 52 N -1.73 5.68 0.00 3.99 0.23 -1.19 -4.62 115.26 117.63 2jqj n ASN 52 Ca 0.04 -2.75 0.13 0.00 -0.53 0.00 0.00 54.58 51.47 2jqj n ASN 52 Cb 0.59 -1.62 0.78 0.00 -2.08 0.00 0.00 39.78 37.45 2jqj n ASN 52 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jqj n ARG 53 N 5.11 0.97 0.00 -3.83 0.63 -1.26 -4.83 116.66 113.45 2jqj n ARG 53 Ca 0.61 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 2jqj n ARG 53 Cb 0.33 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.82 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 -0.92 0.00 -3.86 6.15 2.85 -0.84 -4.78 115.26 113.86 2jqj n ASN 54 Ca 0.20 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.50 2jqj n ASN 54 Cb 0.09 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.95 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 0.23 -0.12 3.44 1.01 -1.26 -2.13 120.40 121.58 2jqj s VAL 55 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2jqj s VAL 55 Cb 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.11 2jqj s VAL 55 CO 0.00 0.13 -0.15 -0.89 0.00 0.00 0.00 175.10 174.19 2jqj s THR 56 N 0.69 1.50 -0.16 3.92 2.01 0.46 -4.90 115.64 119.16 2jqj s THR 56 Ca -0.07 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 2jqj s THR 56 Cb -0.10 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2jqj s THR 56 CO -0.01 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.85 2jqj s THR 57 N 1.09 4.82 -0.20 -0.82 -4.23 -1.26 0.64 115.64 115.67 2jqj s THR 57 Ca -0.04 -0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.42 2jqj s THR 57 Cb -0.14 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2jqj s THR 57 CO -0.03 0.50 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.81 2jqj s ILE 58 N 0.05 2.84 0.00 2.99 1.01 -0.27 0.92 121.20 128.74 2jqj s ILE 58 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2jqj s ILE 58 Cb -0.12 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.09 2jqj s ILE 58 CO 0.01 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2jqj n GLY 59 N 4.68 -0.65 0.00 6.18 0.00 -0.95 -2.71 105.19 111.74 2jqj n GLY 59 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jqj n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jqj n ARG 60 N 0.00 0.78 -1.65 1.61 1.85 -1.24 -2.77 116.66 115.23 2jqj n ARG 60 Ca 0.00 -0.01 -0.50 0.00 -1.00 0.00 0.00 57.85 56.34 2jqj n ARG 60 Cb 0.00 -1.03 -0.05 0.00 -1.05 0.00 0.00 32.46 30.32 2jqj n ARG 60 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jqj n SER 61 N -1.65 2.62 0.14 2.89 2.88 -1.26 -4.81 113.62 114.43 2jqj n SER 61 Ca -0.01 1.07 0.19 0.00 -1.33 0.00 0.00 58.87 58.79 2jqj n SER 61 Cb 0.13 -1.30 0.78 0.00 -0.75 0.00 0.00 64.21 63.07 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 6.38 0.00 0.00 -1.46 2.47 -1.97 0.35 114.38 120.14 2jqj h ARG 62 Ca -0.47 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.20 2jqj h ARG 62 Cb 1.29 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.60 2jqj h ARG 62 CO 0.88 0.00 -0.23 0.77 0.56 0.00 0.00 179.97 181.95 2jqj h SER 63 N 0.00 0.00 -3.42 7.04 0.02 -2.00 -3.46 113.55 111.74 2jqj h SER 63 Ca 0.15 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.59 2jqj h SER 63 Cb 0.78 0.00 0.22 0.00 0.14 0.00 0.00 62.40 63.53 2jqj h SER 63 CO -0.00 0.23 -0.43 0.00 -1.14 0.00 0.00 176.83 175.49 2jqj h ASP 65 N -1.82 0.07 -3.30 0.00 1.82 0.24 -3.46 116.42 109.98 2jqj h ASP 65 Ca -0.46 -0.83 -0.62 0.00 -0.39 0.00 0.00 57.03 54.73 2jqj h ASP 65 Cb 1.30 -0.02 -0.36 0.00 0.68 0.00 0.00 39.33 40.92 2jqj h ASP 65 CO 0.38 1.24 -0.82 -0.69 -1.61 0.00 0.00 179.24 177.74 2jqj s VAL 66 N -2.30 1.68 -0.21 2.25 1.01 0.13 -4.90 120.40 118.06 2jqj s VAL 66 Ca -0.22 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.77 2jqj s VAL 66 Cb 0.01 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2jqj s VAL 66 CO 0.68 0.30 0.13 0.27 0.00 0.00 0.00 175.10 176.47 2jqj s ILE 67 N 1.41 5.26 0.00 2.22 -4.36 -1.26 -2.25 121.20 122.22 2jqj s ILE 67 Ca 0.01 0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.54 2jqj s ILE 67 Cb -0.15 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 40.14 2jqj s ILE 67 CO -0.09 0.40 0.00 0.18 0.24 0.00 0.00 174.94 175.67 2jqj n LEU 68 N 3.86 0.00 0.00 0.37 7.99 -1.12 -4.97 117.00 123.13 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 0.36 0.00 0.00 -1.20 -1.51 0.00 0.00 177.39 175.04 2jqj n SER 69 N 0.00 0.00 0.00 -1.43 7.64 -1.26 -5.08 113.62 113.48 2jqj n SER 69 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jqj n SER 69 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jqj n SER 69 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jqj n GLU 70 N 0.00 0.00 -0.17 1.43 2.13 -1.26 -4.90 120.64 117.87 2jqj n GLU 70 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 2jqj n GLU 70 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 1.00 -0.34 5.31 0.11 -1.99 -3.16 132.00 132.93 2jqj h PRO 71 Ca 0.00 -0.40 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 2jqj h PRO 71 Cb 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 2jqj h PRO 71 CO 0.00 1.08 0.02 -0.25 -0.21 0.00 0.00 178.00 178.63 2jqj n ASP 72 N -4.15 4.03 -4.31 -2.05 8.00 -1.26 -4.94 116.55 111.87 2jqj n ASP 72 Ca 0.01 -3.10 -0.35 0.00 0.71 0.00 0.00 54.79 52.05 2jqj n ASP 72 Cb 0.42 -0.59 -0.14 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 -2.88 3.32 0.21 0.53 1.10 -1.20 -4.88 121.20 117.40 2jqj s ILE 73 Ca 0.45 -0.51 -0.32 0.00 -0.51 0.00 0.00 60.65 59.75 2jqj s ILE 73 Cb 0.36 -2.50 -0.13 0.00 0.15 0.00 0.00 42.46 40.35 2jqj s ILE 73 CO 0.09 0.43 1.62 -1.20 -2.11 0.00 0.00 174.94 173.78 2jqj n SER 74 N 4.71 3.57 -0.22 4.50 7.64 -1.26 -4.21 113.62 128.35 2jqj n SER 74 Ca -0.18 1.09 -0.05 0.00 1.01 0.00 0.00 58.87 60.74 2jqj n SER 74 Cb 0.51 -1.52 0.05 0.00 -1.01 0.00 0.00 64.21 62.24 2jqj n SER 74 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2jqj h THR 75 N 3.58 1.10 -0.49 0.44 2.02 -1.92 -2.36 112.91 115.28 2jqj h THR 75 Ca -0.45 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2jqj h THR 75 Cb 1.23 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2jqj h THR 75 CO 0.88 0.14 0.00 0.49 0.37 0.00 0.00 175.52 177.41 2jqj n PHE 76 N -4.70 1.02 0.00 3.16 3.01 -1.26 -4.19 117.46 114.50 2jqj n PHE 76 Ca 0.05 -0.61 0.00 0.00 1.01 0.00 0.00 57.45 57.90 2jqj n PHE 76 Cb 0.06 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 2jqj n PHE 76 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jqj n HIS 77 N 0.69 0.00 -3.72 1.38 -0.00 -0.89 -4.51 115.22 108.18 2jqj n HIS 77 Ca 0.20 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.26 2jqj n HIS 77 Cb 0.72 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.52 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 -2.21 -0.85 -0.08 1.57 0.00 -1.17 -4.17 121.76 114.85 2jqj s ALA 78 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.23 2jqj s ALA 78 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 2jqj s ALA 78 CO 0.00 -0.38 -0.19 -1.83 0.00 0.00 0.00 175.76 173.35 2jqj s GLU 79 N -2.14 2.86 -0.09 0.00 -1.05 -1.12 -1.11 118.70 116.05 2jqj s GLU 79 Ca -0.08 -0.80 0.04 0.00 -0.15 0.00 0.00 54.97 53.98 2jqj s GLU 79 Cb -0.02 -2.36 -0.00 0.00 -0.44 0.00 0.00 34.13 31.31 2jqj s GLU 79 CO -0.00 0.35 -0.23 -0.06 0.95 0.00 0.00 175.26 176.26 2jqj s PHE 80 N -0.04 2.56 -0.32 4.83 0.40 0.21 -2.10 117.98 123.51 2jqj s PHE 80 Ca -0.05 -0.95 -0.17 0.00 -0.60 0.00 0.00 56.93 55.16 2jqj s PHE 80 Cb -0.14 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 2jqj s PHE 80 CO 0.05 -0.36 0.44 -1.01 0.70 0.00 0.00 175.22 175.04 2jqj s HIS 81 N 0.23 3.21 -0.37 0.36 3.76 0.03 0.17 115.29 122.69 2jqj s HIS 81 Ca -0.15 0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 54.89 2jqj s HIS 81 Cb -0.17 -2.76 0.04 0.00 1.11 0.00 0.00 32.58 30.80 2jqj s HIS 81 CO 0.08 -0.42 0.18 -0.51 -0.85 0.00 0.00 174.74 173.22 2jqj s LEU 82 N 2.22 4.63 -0.02 0.89 1.02 -0.91 -1.47 118.68 125.04 2jqj s LEU 82 Ca 0.16 -1.09 0.07 0.00 0.02 0.00 0.00 54.13 53.29 2jqj s LEU 82 Cb -0.16 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.07 2jqj s LEU 82 CO 0.12 -0.38 -0.23 -0.22 0.02 0.00 0.00 176.35 175.66 2jqj s LEU 83 N 1.49 2.04 -0.05 1.79 0.20 -1.14 -1.99 118.68 121.02 2jqj s LEU 83 Ca 0.01 -0.42 0.03 0.00 0.69 0.00 0.00 54.13 54.43 2jqj s LEU 83 Cb -0.20 -1.20 0.01 0.00 -0.43 0.00 0.00 46.19 44.38 2jqj s LEU 83 CO 0.05 0.28 -0.12 -1.58 -0.29 0.00 0.00 176.35 174.68 2jqj s GLN 84 N -0.48 1.55 0.01 1.98 0.74 -1.26 -3.07 119.66 119.13 2jqj s GLN 84 Ca 0.07 -0.41 -0.02 0.00 0.05 0.00 0.00 55.36 55.05 2jqj s GLN 84 Cb -0.09 -1.32 -0.01 0.00 1.10 0.00 0.00 33.01 32.69 2jqj s GLN 84 CO -0.00 0.07 0.02 1.41 -0.55 0.00 0.00 175.29 176.24 2jqj s MET 85 N 0.49 0.31 -0.20 1.67 1.75 -1.16 -5.01 119.30 117.14 2jqj s MET 85 Ca -0.11 -0.47 -0.06 0.00 -1.25 0.00 0.00 55.69 53.81 2jqj s MET 85 Cb -0.14 0.12 -0.03 0.00 2.84 0.00 0.00 34.83 37.62 2jqj s MET 85 CO 0.03 -0.06 0.02 0.16 -0.65 0.00 0.00 175.02 174.52 2jqj s ASP 86 N -1.22 5.06 -0.03 1.11 1.47 -1.26 -0.43 116.67 121.36 2jqj s ASP 86 Ca -0.13 -0.13 -0.01 0.00 1.18 0.00 0.00 52.55 53.46 2jqj s ASP 86 Cb -0.08 -1.87 0.03 0.00 -0.34 0.00 0.00 42.92 40.66 2jqj s ASP 86 CO -0.00 0.09 0.04 -0.69 0.68 0.00 0.00 175.17 175.28 2jqj s VAL 87 N 0.88 -0.07 -1.35 2.11 1.01 0.11 -4.85 120.40 118.22 2jqj s VAL 87 Ca 0.02 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 2jqj s VAL 87 Cb -0.14 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.15 2jqj s VAL 87 CO 0.02 0.12 1.11 0.47 0.00 0.00 0.00 175.10 176.82 2jqj n ASP 88 N 4.60 -5.20 -2.09 3.32 9.92 -1.26 -1.41 116.55 124.43 2jqj n ASP 88 Ca -0.19 -0.60 -0.19 0.00 -0.53 0.00 0.00 54.79 53.28 2jqj n ASP 88 Cb 0.50 -4.86 -0.02 0.00 -0.64 0.00 0.00 41.12 36.11 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 -3.02 -5.44 -3.79 -2.24 2.85 -1.26 -4.98 115.26 97.38 2jqj n ASN 89 Ca -0.05 0.03 -0.15 0.00 -0.11 0.00 0.00 54.58 54.29 2jqj n ASN 89 Cb 0.58 -4.50 -0.16 0.00 1.24 0.00 0.00 39.78 36.94 2jqj n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2jqj s PHE 90 N -2.92 0.10 -0.01 1.20 0.40 -0.50 -5.11 117.98 111.13 2jqj s PHE 90 Ca 0.00 0.09 -0.24 0.00 -0.60 0.00 0.00 56.93 56.18 2jqj s PHE 90 Cb 0.00 -0.26 -0.04 0.00 0.51 0.00 0.00 43.02 43.23 2jqj s PHE 90 CO 0.00 -0.09 0.74 -0.65 0.70 0.00 0.00 175.22 175.92 2jqj s GLN 91 N 0.96 4.46 -0.18 0.44 -1.52 -1.26 0.04 119.66 122.59 2jqj s GLN 91 Ca -0.08 0.98 -0.03 0.00 -1.95 0.00 0.00 55.36 54.28 2jqj s GLN 91 Cb -0.12 -3.40 -0.01 0.00 -0.22 0.00 0.00 33.01 29.25 2jqj s GLN 91 CO -0.02 0.17 -0.06 1.03 -0.25 0.00 0.00 175.29 176.16 2jqj s ARG 92 N 0.38 3.45 -0.24 2.91 1.81 0.42 -4.98 118.95 122.71 2jqj s ARG 92 Ca 0.38 -0.61 -0.08 0.00 -1.72 0.00 0.00 55.73 53.70 2jqj s ARG 92 Cb -0.19 -2.90 -0.04 0.00 -0.45 0.00 0.00 34.95 31.37 2jqj s ARG 92 CO 0.21 0.00 0.10 -0.80 -0.68 0.00 0.00 175.30 174.13 2jqj s ASN 93 N 0.96 5.51 -0.08 0.23 -0.87 -1.26 -3.00 114.94 116.42 2jqj s ASN 93 Ca -0.01 -0.08 -0.00 0.00 -1.57 0.00 0.00 52.86 51.21 2jqj s ASN 93 Cb -0.15 -1.99 0.02 0.00 -0.02 0.00 0.00 41.25 39.12 2jqj s ASN 93 CO 0.00 0.02 -0.05 -0.76 -2.57 0.00 0.00 177.10 173.74 2jqj s LEU 94 N 1.33 1.09 -0.08 0.60 1.43 -1.17 -4.95 118.68 116.93 2jqj s LEU 94 Ca 0.06 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2jqj s LEU 94 Cb -0.15 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 2jqj s LEU 94 CO 0.05 -0.11 -0.12 -0.63 0.23 0.00 0.00 176.35 175.77 2jqj s ILE 95 N 1.52 3.22 -0.09 -0.59 -1.09 -1.14 -2.89 121.20 120.14 2jqj s ILE 95 Ca -0.00 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 57.79 2jqj s ILE 95 Cb -0.13 -2.30 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 2jqj s ILE 95 CO -0.04 0.57 -0.14 0.21 -1.23 0.00 0.00 174.94 174.31 2jqj s ASN 96 N -0.45 4.04 -0.15 3.58 2.47 -0.54 0.91 114.94 124.79 2jqj s ASN 96 Ca 0.06 -0.25 -0.01 0.00 0.42 0.00 0.00 52.86 53.07 2jqj s ASN 96 Cb -0.12 -1.21 -0.02 0.00 -1.45 0.00 0.00 41.25 38.45 2jqj s ASN 96 CO 0.02 0.26 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.87 2jqj s VAL 97 N -0.23 3.26 -0.11 -5.21 1.01 0.13 -0.79 120.40 118.45 2jqj s VAL 97 Ca 0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2jqj s VAL 97 Cb -0.13 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2jqj s VAL 97 CO 0.03 0.51 -0.08 -0.63 0.00 0.00 0.00 175.10 174.93 2jqj s ILE 98 N 0.51 1.02 -0.16 2.22 1.01 -0.89 -2.14 121.20 122.77 2jqj s ILE 98 Ca -0.07 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 2jqj s ILE 98 Cb -0.15 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2jqj s ILE 98 CO 0.04 0.36 0.09 -0.62 0.00 0.00 0.00 174.94 174.81 2jqj s ASP 99 N 1.62 5.91 -0.06 3.58 2.15 -1.26 -2.80 116.67 125.80 2jqj s ASP 99 Ca 0.03 0.23 0.14 0.00 0.43 0.00 0.00 52.55 53.38 2jqj s ASP 99 Cb -0.13 -1.95 0.27 0.00 -0.30 0.00 0.00 42.92 40.81 2jqj s ASP 99 CO -0.07 0.27 1.14 2.29 -0.17 0.00 0.00 175.17 178.62 2jqj n LYS 100 N 2.92 0.34 -4.23 4.34 2.85 -1.26 -4.94 118.16 118.19 2jqj n LYS 100 Ca -0.18 -1.70 -0.27 0.00 -1.05 0.00 0.00 58.31 55.11 2jqj n LYS 100 Cb 0.53 0.06 -0.06 0.00 -0.65 0.00 0.00 35.03 34.91 2jqj n LYS 100 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jqj n SER 101 N -0.03 3.17 -2.52 -5.58 7.64 -1.26 -5.02 113.62 110.03 2jqj n SER 101 Ca -0.09 -2.85 -0.01 0.00 1.01 0.00 0.00 58.87 56.92 2jqj n SER 101 Cb 0.91 0.29 0.05 0.00 -1.01 0.00 0.00 64.21 64.45 2jqj n SER 101 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jqj n ARG 102 N -1.06 1.55 -0.09 1.43 1.85 -1.26 -4.85 116.66 114.24 2jqj n ARG 102 Ca -0.17 -3.29 -0.12 0.00 -1.00 0.00 0.00 57.85 53.27 2jqj n ARG 102 Cb 0.54 -1.37 -0.09 0.00 -1.05 0.00 0.00 32.46 30.48 2jqj n ARG 102 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jqj n ASN 103 N -0.42 2.34 0.00 2.89 4.13 -1.26 -5.08 115.26 117.86 2jqj n ASN 103 Ca 0.09 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2jqj n ASN 103 Cb 0.87 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 39.01 2jqj n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jqj n GLY 104 N 2.52 2.17 3.22 7.41 0.00 -1.26 -4.79 105.19 114.47 2jqj n GLY 104 Ca -0.32 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 2.46 -0.16 2.61 2.01 -1.26 -0.06 115.64 121.24 2jqj s THR 105 Ca 0.00 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.18 2jqj s THR 105 Cb 0.00 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.49 2jqj s THR 105 CO 0.00 0.52 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.90 2jqj s PHE 106 N 0.93 2.61 -0.04 4.92 0.40 -0.06 -3.22 117.98 123.51 2jqj s PHE 106 Ca -0.03 -1.46 0.07 0.00 -0.60 0.00 0.00 56.93 54.91 2jqj s PHE 106 Cb -0.15 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 2jqj s PHE 106 CO -0.03 -0.71 -0.25 -1.50 0.70 0.00 0.00 175.22 173.43 2jqj s ILE 107 N 1.16 1.99 -1.48 0.64 1.10 -0.01 -0.05 121.20 124.55 2jqj s ILE 107 Ca 0.01 -1.05 -0.02 0.00 -0.51 0.00 0.00 60.65 59.08 2jqj s ILE 107 Cb -0.14 -1.68 0.01 0.00 0.15 0.00 0.00 42.46 40.80 2jqj s ILE 107 CO -0.09 0.56 0.16 0.59 -2.11 0.00 0.00 174.94 174.05 2jqj n ASN 108 N 2.77 -5.18 -0.20 4.50 5.03 0.21 -0.47 115.26 121.91 2jqj n ASN 108 Ca -0.17 -0.04 -0.03 0.00 0.87 0.00 0.00 54.58 55.22 2jqj n ASN 108 Cb 0.52 -4.30 -0.01 0.00 -1.02 0.00 0.00 39.78 34.96 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 3.10 7.41 0.00 -1.26 -5.00 105.19 108.91 2jqj n GLY 109 Ca -0.17 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 2jqj n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqj s ASN 110 N -2.28 1.16 0.41 1.61 2.20 0.38 -5.13 114.94 113.29 2jqj s ASN 110 Ca 0.00 -0.59 -0.26 0.00 -0.94 0.00 0.00 52.86 51.07 2jqj s ASN 110 Cb 0.00 0.01 -0.09 0.00 -2.00 0.00 0.00 41.25 39.16 2jqj s ASN 110 CO 0.00 -0.17 1.39 -0.60 -2.94 0.00 0.00 177.10 174.78 2jqj s ARG 111 N -1.71 3.94 -0.23 3.55 3.52 -1.26 -0.83 118.95 125.92 2jqj s ARG 111 Ca -0.06 2.35 -0.10 0.00 -0.13 0.00 0.00 55.73 57.78 2jqj s ARG 111 Cb -0.10 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 30.44 2jqj s ARG 111 CO 0.01 -0.59 0.15 -1.17 -0.81 0.00 0.00 175.30 172.90 2jqj s LEU 112 N -2.39 4.12 -0.36 -0.88 0.20 -1.20 -4.82 118.68 113.35 2jqj s LEU 112 Ca 0.57 0.12 0.14 0.00 0.69 0.00 0.00 54.13 55.65 2jqj s LEU 112 Cb -0.42 -2.10 0.43 0.00 -0.43 0.00 0.00 46.19 43.66 2jqj s LEU 112 CO 0.55 0.08 1.16 0.55 -0.29 0.00 0.00 176.35 178.40 2jqj n VAL 113 N 4.18 0.50 -4.49 1.68 3.14 -1.26 -4.96 118.33 117.13 2jqj n VAL 113 Ca -0.15 -2.27 -0.23 0.00 -2.96 0.00 0.00 64.34 58.74 2jqj n VAL 113 Cb 0.52 0.85 -0.05 0.00 -1.06 0.00 0.00 33.84 34.09 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 -0.36 0.84 -0.05 1.45 4.01 -1.26 -5.08 118.16 117.72 2jqj n LYS 114 Ca 0.03 -2.79 -0.05 0.00 -0.51 0.00 0.00 58.31 54.98 2jqj n LYS 114 Cb 0.84 1.13 -0.06 0.00 -0.51 0.00 0.00 35.03 36.43 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 -0.85 1.73 -3.38 1.97 5.02 -1.26 -4.43 118.16 116.96 2jqj n LYS 115 Ca -0.10 0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 55.95 2jqj n LYS 115 Cb 0.49 -1.22 -0.09 0.00 -0.02 0.00 0.00 35.03 34.19 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 -2.51 0.14 -4.75 4.39 2.03 -1.26 -4.70 116.55 109.89 2jqj n ASP 116 Ca -0.16 -2.57 -0.40 0.00 0.52 0.00 0.00 54.79 52.18 2jqj n ASP 116 Cb 0.75 -0.60 -0.05 0.00 -0.72 0.00 0.00 41.12 40.50 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jqj s TYR 117 N -0.51 3.80 -0.29 -0.67 5.04 -0.91 -4.92 117.35 118.89 2jqj s TYR 117 Ca 0.33 1.56 -0.13 0.00 -2.44 0.00 0.00 57.07 56.40 2jqj s TYR 117 Cb 0.07 -2.83 -0.04 0.00 0.35 0.00 0.00 41.96 39.52 2jqj s TYR 117 CO -0.16 0.35 0.26 -1.50 -1.34 0.00 0.00 175.55 173.15 2jqj s ILE 118 N -0.42 5.26 -0.01 3.14 1.10 -1.26 0.17 121.20 129.18 2jqj s ILE 118 Ca 0.38 0.21 -0.01 0.00 -0.51 0.00 0.00 60.65 60.72 2jqj s ILE 118 Cb -0.22 -3.62 -0.04 0.00 0.15 0.00 0.00 42.46 38.73 2jqj s ILE 118 CO 0.25 0.16 0.11 -0.22 -2.11 0.00 0.00 174.94 173.13 2jqj s LEU 119 N 1.86 4.04 0.39 8.50 0.20 0.26 -4.95 118.68 128.98 2jqj s LEU 119 Ca 0.09 0.21 0.04 0.00 0.69 0.00 0.00 54.13 55.16 2jqj s LEU 119 Cb -0.16 -2.37 -0.03 0.00 -0.43 0.00 0.00 46.19 43.20 2jqj s LEU 119 CO 0.11 0.27 0.16 -0.54 -0.29 0.00 0.00 176.35 176.06 2jqj s LYS 120 N -1.79 1.88 0.34 1.98 1.02 -1.26 -2.87 119.74 119.05 2jqj s LYS 120 Ca 0.24 -2.14 -0.29 0.00 0.02 0.00 0.00 55.97 53.81 2jqj s LYS 120 Cb -0.12 -0.41 -0.12 0.00 -0.52 0.00 0.00 37.83 36.66 2jqj s LYS 120 CO 0.15 -0.51 1.44 0.27 -0.92 0.00 0.00 175.35 175.79 2jqj n ASN 121 N -1.33 3.44 -1.58 2.83 0.23 -1.26 -3.73 115.26 113.86 2jqj n ASN 121 Ca -0.03 1.20 -0.01 0.00 -0.53 0.00 0.00 54.58 55.21 2jqj n ASN 121 Cb 0.64 -1.56 0.01 0.00 -2.08 0.00 0.00 39.78 36.79 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jqj n GLY 122 N 0.95 0.65 2.87 4.83 0.00 0.54 -4.98 105.19 110.04 2jqj n GLY 122 Ca 0.04 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.05 1.21 -0.16 1.61 1.01 -1.13 -4.96 116.67 111.19 2jqj s ASP 123 Ca 0.03 -0.13 -0.17 0.00 0.71 0.00 0.00 52.55 52.99 2jqj s ASP 123 Cb -0.00 -0.48 -0.04 0.00 1.01 0.00 0.00 42.92 43.40 2jqj s ASP 123 CO 0.07 -0.09 0.43 -0.60 0.21 0.00 0.00 175.17 175.19 2jqj s ARG 124 N 1.23 4.25 -0.06 8.23 3.52 -1.26 -0.79 118.95 134.07 2jqj s ARG 124 Ca -0.06 0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.90 2jqj s ARG 124 Cb -0.14 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.76 2jqj s ARG 124 CO -0.02 0.06 -0.23 0.42 -0.81 0.00 0.00 175.30 174.73 2jqj s ILE 125 N 0.97 1.88 -0.12 4.11 1.09 -0.08 -0.62 121.20 128.42 2jqj s ILE 125 Ca 0.22 -0.96 0.01 0.00 -1.10 0.00 0.00 60.65 58.82 2jqj s ILE 125 Cb -0.15 -1.60 0.02 0.00 -1.06 0.00 0.00 42.46 39.66 2jqj s ILE 125 CO 0.08 0.53 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.60 2jqj s VAL 126 N -0.01 1.62 -0.29 2.92 1.01 0.93 -1.92 120.40 124.66 2jqj s VAL 126 Ca -0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 2jqj s VAL 126 Cb -0.14 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.80 2jqj s VAL 126 CO 0.04 0.46 -0.00 -0.36 0.00 0.00 0.00 175.10 175.24 2jqj s PHE 127 N 1.09 3.20 0.00 5.22 0.08 -1.08 -0.88 117.98 125.60 2jqj s PHE 127 Ca -0.04 -1.68 0.00 0.00 0.12 0.00 0.00 56.93 55.34 2jqj s PHE 127 Cb -0.14 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.19 2jqj s PHE 127 CO -0.04 -0.76 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 2jqj n GLY 128 N 4.67 2.41 2.05 4.36 0.00 0.91 -3.65 105.19 115.95 2jqj n GLY 128 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.23 0.00 1.61 3.00 -1.26 -4.92 118.16 114.37 2jqj n LYS 129 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2jqj n LYS 129 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 35.03 31.23 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 1.45 1.68 -4.14 3.14 3.41 -1.24 -5.03 113.62 112.90 2jqj n SER 130 Ca -0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.24 2jqj n SER 130 Cb 0.53 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 2jqj n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqj s SER 132 N 1.27 2.47 0.04 0.00 1.04 -1.26 -2.64 113.70 114.62 2jqj s SER 132 Ca 0.01 -0.43 -0.03 0.00 0.48 0.00 0.00 55.95 55.98 2jqj s SER 132 Cb -0.15 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 64.86 2jqj s SER 132 CO -0.09 0.11 0.04 0.72 0.98 0.00 0.00 173.24 175.00 2jqj s PHE 133 N 0.43 0.32 -0.16 5.02 -0.71 -0.81 -2.03 117.98 120.03 2jqj s PHE 133 Ca -0.15 -0.71 -0.06 0.00 -1.04 0.00 0.00 56.93 54.97 2jqj s PHE 133 Cb -0.16 -0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 2jqj s PHE 133 CO 0.06 -0.35 0.02 -1.17 -1.34 0.00 0.00 175.22 172.45 2jqj s LEU 134 N -2.32 3.61 0.01 -1.99 2.96 -0.31 -0.91 118.68 119.74 2jqj s LEU 134 Ca -0.02 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.78 2jqj s LEU 134 Cb 0.01 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 2jqj s LEU 134 CO -0.06 0.19 0.38 0.12 -1.32 0.00 0.00 176.35 175.66 2jqj s PHE 135 N 0.24 3.67 -0.03 5.38 2.19 0.03 -2.77 117.98 126.69 2jqj s PHE 135 Ca 0.01 0.88 -0.23 0.00 0.33 0.00 0.00 56.93 57.93 2jqj s PHE 135 Cb -0.13 -2.21 0.05 0.00 -1.31 0.00 0.00 43.02 39.42 2jqj s PHE 135 CO 0.01 0.62 0.49 0.21 1.83 0.00 0.00 175.22 178.39 2jqj s LYS 136 N -1.31 0.86 0.27 10.12 2.20 -1.15 -0.34 119.74 130.39 2jqj s LYS 136 Ca 0.25 0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.61 2jqj s LYS 136 Cb -0.15 0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 36.47 2jqj s LYS 136 CO 0.14 -0.25 1.04 0.71 -0.36 0.00 0.00 175.35 176.63 2jqj s TYR 137 N -1.24 3.71 0.27 4.03 2.02 -1.26 -1.52 117.35 123.37 2jqj s TYR 137 Ca -0.12 1.77 0.02 0.00 -0.37 0.00 0.00 57.07 58.37 2jqj s TYR 137 Cb -0.03 -3.18 -0.03 0.00 -0.40 0.00 0.00 41.96 38.32 2jqj s TYR 137 CO 0.07 -0.21 0.44 0.00 -1.57 0.00 0.00 175.55 174.28 2jqj s ALA 138 N -1.18 3.82 -0.33 3.71 0.00 0.25 -4.78 121.76 123.26 2jqj s ALA 138 Ca 0.43 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 2jqj s ALA 138 Cb -0.30 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 20.90 2jqj s ALA 138 CO 0.38 0.18 0.20 0.43 0.00 0.00 0.00 175.76 176.95 2jqj n SER 139 N -1.40 -7.55 -4.67 0.00 7.64 -1.26 -4.74 113.62 101.64 2jqj n SER 139 Ca -0.07 1.03 -0.39 0.00 1.01 0.00 0.00 58.87 60.45 2jqj n SER 139 Cb 0.56 -5.03 0.04 0.00 -1.01 0.00 0.00 64.21 58.77 2jqj n SER 139 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jqj n SER 140 N 0.30 1.72 -3.92 6.43 7.64 -1.26 -5.01 113.62 119.52 2jqj n SER 140 Ca 0.04 0.92 -0.28 0.00 1.01 0.00 0.00 58.87 60.56 2jqj n SER 140 Cb 0.16 -1.47 -0.17 0.00 -1.01 0.00 0.00 64.21 61.72 2jqj n SER 140 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jqj s SER 141 N -1.02 2.63 -0.32 6.43 1.04 -1.26 -4.93 113.70 116.27 2jqj s SER 141 Ca 0.72 -0.53 -0.04 0.00 0.48 0.00 0.00 55.95 56.58 2jqj s SER 141 Cb -0.44 -0.94 0.01 0.00 0.10 0.00 0.00 66.02 64.75 2jqj s SER 141 CO 0.49 -0.15 0.16 -0.24 0.98 0.00 0.00 173.24 174.48 2jqj n SER 142 N 4.87 -7.58 -4.76 7.02 2.88 -1.26 -5.06 113.62 109.73 2jqj n SER 142 Ca -0.13 1.10 -0.21 0.00 -1.33 0.00 0.00 58.87 58.30 2jqj n SER 142 Cb 0.49 -5.05 0.04 0.00 -0.75 0.00 0.00 64.21 58.93 2jqj n SER 142 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jqj n THR 143 N 0.38 0.00 -4.78 2.46 -2.24 -1.26 -5.13 114.28 103.71 2jqj n THR 143 Ca 0.03 -1.95 -0.27 0.00 -2.27 0.00 0.00 64.05 59.60 2jqj n THR 143 Cb 0.12 -0.32 -0.17 0.00 -2.10 0.00 0.00 70.33 67.86 2jqj n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jqj s ASP 144 N -4.28 2.15 -0.32 3.42 -1.08 -1.26 -5.01 116.67 110.30 2jqj s ASP 144 Ca 0.46 -0.37 0.10 0.00 -0.52 0.00 0.00 52.55 52.22 2jqj s ASP 144 Cb -0.04 -0.92 0.69 0.00 -1.46 0.00 0.00 42.92 41.19 2jqj s ASP 144 CO 0.29 0.08 1.74 -0.38 0.52 0.00 0.00 175.17 177.42 2jqj n ILE 145 N 3.62 2.85 -2.85 4.11 2.08 -1.26 -4.96 119.36 122.96 2jqj n ILE 145 Ca -0.21 -1.85 -0.06 0.00 0.56 0.00 0.00 62.75 61.19 2jqj n ILE 145 Cb 0.52 -0.35 0.01 0.00 -0.75 0.00 0.00 39.64 39.06 2jqj n ILE 145 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2jqj n GLU 146 N -0.44 -2.03 0.02 0.38 1.02 -1.26 -5.00 120.64 113.33 2jqj n GLU 146 Ca 0.40 1.91 -0.01 0.00 -0.02 0.00 0.00 57.16 59.43 2jqj n GLU 146 Cb 1.32 -5.54 -0.01 0.00 -0.02 0.00 0.00 31.44 27.19 2jqj n GLU 146 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2jqj h ASN 147 N 1.54 -0.08 -4.90 1.62 2.35 -2.01 -3.50 115.58 110.59 2jqj h ASN 147 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2jqj h ASN 147 Cb 0.97 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 39.28 2jqj h ASN 147 CO 0.22 0.13 -1.37 0.47 -1.65 0.00 0.00 177.43 175.23 2jqj n ASP 148 N -3.28 -4.03 -3.58 5.81 8.00 -1.26 -5.08 116.55 113.14 2jqj n ASP 148 Ca -0.01 1.57 -0.11 0.00 0.71 0.00 0.00 54.79 56.95 2jqj n ASP 148 Cb 0.04 -5.27 -0.05 0.00 -0.02 0.00 0.00 41.12 35.82 2jqj n ASP 148 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jqj s ASP 149 N -0.64 -0.40 0.37 -2.24 -1.08 -1.26 -5.19 116.67 106.23 2jqj s ASP 149 Ca -0.18 0.46 0.04 0.00 -0.52 0.00 0.00 52.55 52.36 2jqj s ASP 149 Cb 0.01 0.37 -0.01 0.00 -1.46 0.00 0.00 42.92 41.82 2jqj s ASP 149 CO 0.48 -0.35 0.14 -1.84 0.52 0.00 0.00 175.17 174.12 2jqj n GLU 150 N 0.86 0.60 -4.24 4.34 0.28 -1.26 -5.18 120.64 116.04 2jqj n GLU 150 Ca -0.11 -3.15 -0.15 0.00 -0.16 0.00 0.00 57.16 53.59 2jqj n GLU 150 Cb 0.58 1.75 -0.09 0.00 1.43 0.00 0.00 31.44 35.10 2jqj n GLU 150 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2jqj s LYS 151 N -3.41 1.46 -0.32 3.44 1.02 -1.26 -5.07 119.74 115.59 2jqj s LYS 151 Ca 0.20 -1.81 0.06 0.00 0.02 0.00 0.00 55.97 54.44 2jqj s LYS 151 Cb 0.01 0.28 0.46 0.00 -0.52 0.00 0.00 37.83 38.06 2jqj s LYS 151 CO 0.14 -0.51 1.29 1.55 -0.92 0.00 0.00 175.35 176.90 2jqj n VAL 152 N -0.43 2.62 -3.51 3.17 3.14 -1.26 -4.91 118.33 117.15 2jqj n VAL 152 Ca 0.04 -3.97 -0.28 0.00 -2.96 0.00 0.00 64.34 57.18 2jqj n VAL 152 Cb 0.64 -1.05 -0.14 0.00 -1.06 0.00 0.00 33.84 32.24 2jqj n VAL 152 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2jqj s SER 153 N -3.35 3.21 0.23 6.55 1.04 -1.26 -4.97 113.70 115.15 2jqj s SER 153 Ca 0.51 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2jqj s SER 153 Cb 0.42 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2jqj s SER 153 CO 0.03 -0.41 0.00 -1.20 0.98 0.00 0.00 173.24 172.64 2jqj n SER 154 N 4.99 -0.02 -1.27 7.02 7.64 -1.26 -5.16 113.62 125.55 2jqj n SER 154 Ca -0.02 0.39 0.12 0.00 1.01 0.00 0.00 58.87 60.37 2jqj n SER 154 Cb 0.41 0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.86 2jqj n SER 154 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jqj n GLU 155 N -3.33 -1.74 -0.64 1.43 4.07 -1.26 -4.82 120.64 114.35 2jqj n GLU 155 Ca 0.00 1.14 -0.28 0.00 -0.06 0.00 0.00 57.16 57.96 2jqj n GLU 155 Cb 0.00 -2.12 0.25 0.00 -0.06 0.00 0.00 31.44 29.51 2jqj n GLU 155 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2jqj s SER 156 N -5.90 0.96 0.07 4.31 1.04 -1.26 -5.07 113.70 107.85 2jqj s SER 156 Ca 0.00 1.35 -0.26 0.00 0.48 0.00 0.00 55.95 57.52 2jqj s SER 156 Cb 0.00 -2.10 0.09 0.00 0.10 0.00 0.00 66.02 64.11 2jqj s SER 156 CO 0.00 -4.19 0.81 -0.60 0.98 0.00 0.00 173.24 170.24 2jqj s ARG 157 N -4.60 1.03 -0.43 4.02 3.52 -1.26 -5.13 118.95 116.11 2jqj s ARG 157 Ca 0.68 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.88 2jqj s ARG 157 Cb -0.23 0.45 0.12 0.00 -1.56 0.00 0.00 34.95 33.73 2jqj s ARG 157 CO 0.63 -0.46 0.18 0.45 -0.81 0.00 0.00 175.30 175.29 2jqj s SER 158 N -2.63 4.86 0.00 -2.12 0.15 -1.26 -5.33 113.70 107.37 2jqj s SER 158 Ca 0.05 -2.38 0.00 0.00 0.70 0.00 0.00 55.95 54.32 2jqj s SER 158 Cb -0.01 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2jqj s SER 158 CO -0.08 -0.39 0.00 0.00 1.20 0.00 0.00 173.24 173.97