#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 1.79 1.26 1.97 0.52 -1.26 -4.84 118.95 118.39 2jqj s ARG 20 Ca 0.00 -2.05 -0.17 0.00 -0.52 0.00 0.00 55.73 52.99 2jqj s ARG 20 Cb 0.00 -0.73 0.31 0.00 0.52 0.00 0.00 34.95 35.06 2jqj s ARG 20 CO 0.00 -0.34 1.00 -0.65 0.02 0.00 0.00 175.30 175.33 2jqj s GLN 21 N -3.81 -1.67 -0.31 3.54 -1.52 -1.26 -4.64 119.66 109.99 2jqj s GLN 21 Ca 0.29 0.41 -0.00 0.00 -1.95 0.00 0.00 55.36 54.11 2jqj s GLN 21 Cb 0.05 -1.50 0.00 0.00 -0.22 0.00 0.00 33.01 31.34 2jqj s GLN 21 CO 0.14 -4.11 0.00 1.04 -0.25 0.00 0.00 175.29 172.12 2jqj n GLN 22 N -5.13 -3.52 -3.59 2.91 6.02 -1.26 -5.07 117.38 107.74 2jqj n GLN 22 Ca 0.08 2.81 -0.12 0.00 -0.01 0.00 0.00 57.00 59.76 2jqj n GLN 22 Cb 0.57 -5.37 -0.06 0.00 1.02 0.00 0.00 30.24 26.40 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 -1.61 0.65 -0.91 -1.09 3.52 -1.26 -5.08 118.95 113.17 2jqj s ARG 23 Ca -0.00 0.37 -0.25 0.00 -0.13 0.00 0.00 55.73 55.72 2jqj s ARG 23 Cb 0.00 0.31 -0.08 0.00 -1.56 0.00 0.00 34.95 33.62 2jqj s ARG 23 CO 0.78 -0.16 2.06 -1.12 -0.81 0.00 0.00 175.30 176.05 2jqj s SER 24 N -0.58 4.78 0.25 -2.12 0.01 -1.26 -4.86 113.70 109.91 2jqj s SER 24 Ca -0.01 -0.61 -0.06 0.00 1.31 0.00 0.00 55.95 56.58 2jqj s SER 24 Cb -0.02 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2jqj s SER 24 CO 0.00 -3.11 0.34 0.54 0.41 0.00 0.00 173.24 171.42 2jqj s ASN 25 N 8.58 0.26 -0.10 2.44 2.20 -1.26 -5.17 114.94 121.90 2jqj s ASN 25 Ca 0.76 -1.24 0.02 0.00 -0.94 0.00 0.00 52.86 51.46 2jqj s ASN 25 Cb -0.08 0.52 -0.01 0.00 -2.00 0.00 0.00 41.25 39.68 2jqj s ASN 25 CO 0.03 -1.05 -0.17 -1.59 -2.94 0.00 0.00 177.10 171.38 2jqj s LYS 26 N -3.87 3.02 0.72 3.55 0.00 -1.26 -5.12 119.74 116.77 2jqj s LYS 26 Ca 0.31 -0.75 -0.12 0.00 0.00 0.00 0.00 55.97 55.40 2jqj s LYS 26 Cb 0.02 -2.45 0.03 0.00 0.00 0.00 0.00 37.83 35.43 2jqj s LYS 26 CO 0.13 0.32 1.10 -1.25 0.00 0.00 0.00 175.35 175.65 2jqj s PRO 27 N 0.04 2.53 -0.26 1.78 0.04 -1.26 -4.59 135.00 133.28 2jqj s PRO 27 Ca -0.06 1.25 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 2jqj s PRO 27 Cb -0.15 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2jqj s PRO 27 CO 0.05 -1.44 0.08 0.43 0.04 0.00 0.00 177.00 176.16 2jqj n SER 28 N -3.04 -5.46 -3.08 6.66 7.64 -1.26 -5.03 113.62 110.06 2jqj n SER 28 Ca 0.09 1.38 -0.16 0.00 1.01 0.00 0.00 58.87 61.20 2jqj n SER 28 Cb 0.53 -5.16 -0.05 0.00 -1.01 0.00 0.00 64.21 58.52 2jqj n SER 28 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jqj n SER 29 N 1.09 -1.94 -4.85 6.43 3.41 -1.26 -5.13 113.62 111.37 2jqj n SER 29 Ca -0.14 -2.65 -0.37 0.00 -0.26 0.00 0.00 58.87 55.45 2jqj n SER 29 Cb 0.24 0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 2jqj n SER 29 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2jqj s GLU 30 N 0.44 3.53 0.00 4.33 1.03 -1.26 -5.08 118.70 121.69 2jqj s GLU 30 Ca 0.32 -0.16 0.00 0.00 0.03 0.00 0.00 54.97 55.16 2jqj s GLU 30 Cb 0.02 -3.20 0.00 0.00 -0.80 0.00 0.00 34.13 30.15 2jqj s GLU 30 CO -0.13 0.70 0.00 0.66 -1.33 0.00 0.00 175.26 175.17 2jqj n TYR 31 N 2.22 0.00 -3.81 4.83 4.02 -1.26 -4.96 117.16 118.20 2jqj n TYR 31 Ca -0.19 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.56 2jqj n TYR 31 Cb 0.54 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.72 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 -0.03 0.17 -0.72 2.01 -1.26 -5.01 115.64 110.80 2jqj s THR 32 Ca 0.00 0.11 -0.32 0.00 0.31 0.00 0.00 61.69 61.80 2jqj s THR 32 Cb 0.00 -0.07 -0.11 0.00 0.01 0.00 0.00 72.50 72.33 2jqj s THR 32 CO 0.00 0.05 1.79 0.00 -0.69 0.00 0.00 174.62 175.77 2jqj n LEU 34 N 4.85 0.98 0.00 0.00 -0.00 -0.96 -4.56 117.00 117.31 2jqj n LEU 34 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 2jqj n LEU 34 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 2jqj n LEU 34 CO 0.65 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.72 2jqj n GLY 35 N 2.50 2.76 3.27 -3.96 0.00 -1.07 -2.29 105.19 106.40 2jqj n GLY 35 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 -5.51 0.41 -0.13 1.61 3.76 -0.78 -1.40 115.29 113.24 2jqj s HIS 36 Ca 0.00 -0.79 -0.00 0.00 -0.15 0.00 0.00 55.06 54.12 2jqj s HIS 36 Cb 0.00 -0.12 0.02 0.00 1.11 0.00 0.00 32.58 33.59 2jqj s HIS 36 CO 0.00 -0.64 -0.11 -0.51 -0.85 0.00 0.00 174.74 172.63 2jqj s LEU 37 N -2.95 1.45 -0.25 0.89 1.02 0.15 -2.69 118.68 116.30 2jqj s LEU 37 Ca 0.15 -0.40 -0.14 0.00 0.02 0.00 0.00 54.13 53.75 2jqj s LEU 37 Cb 0.04 -1.02 -0.04 0.00 0.02 0.00 0.00 46.19 45.19 2jqj s LEU 37 CO -0.03 -0.09 0.34 -0.69 0.02 0.00 0.00 176.35 175.91 2jqj s VAL 38 N 1.59 5.21 -0.37 -1.59 1.01 0.21 0.09 120.40 126.56 2jqj s VAL 38 Ca 0.05 0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.35 2jqj s VAL 38 Cb -0.13 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2jqj s VAL 38 CO -0.10 0.21 0.70 0.20 0.00 0.00 0.00 175.10 176.12 2jqj s ASN 39 N 1.43 6.47 -0.52 3.32 -0.87 0.25 0.10 114.94 125.11 2jqj s ASN 39 Ca 0.15 0.18 -0.23 0.00 -1.57 0.00 0.00 52.86 51.39 2jqj s ASN 39 Cb -0.15 -2.36 0.04 0.00 -0.02 0.00 0.00 41.25 38.76 2jqj s ASN 39 CO 0.09 -0.68 0.84 -0.76 -2.57 0.00 0.00 177.10 174.01 2jqj s LEU 40 N 2.91 4.33 -0.01 0.60 1.43 -0.71 -2.72 118.68 124.52 2jqj s LEU 40 Ca 0.27 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2jqj s LEU 40 Cb -0.14 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 2jqj s LEU 40 CO 0.16 -1.09 -0.20 -0.63 0.23 0.00 0.00 176.35 174.82 2jqj s ILE 41 N 3.51 1.60 -1.19 -0.59 1.09 -1.07 -4.55 121.20 120.00 2jqj s ILE 41 Ca 0.27 -0.91 -0.22 0.00 -1.10 0.00 0.00 60.65 58.69 2jqj s ILE 41 Cb -0.14 -1.34 -0.05 0.00 -1.06 0.00 0.00 42.46 39.87 2jqj s ILE 41 CO 0.18 0.41 1.88 -2.16 -0.10 0.00 0.00 174.94 175.16 2jqj s PRO 42 N -0.58 2.85 0.00 2.79 0.04 -1.26 -2.28 135.00 136.56 2jqj s PRO 42 Ca 0.08 -1.31 0.00 0.00 0.04 0.00 0.00 61.00 59.81 2jqj s PRO 42 Cb -0.08 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.16 2jqj s PRO 42 CO -0.00 -3.54 0.00 0.41 0.04 0.00 0.00 177.00 173.91 2jqj n GLY 43 N 5.79 0.54 3.61 0.56 0.00 -1.26 -5.13 105.19 109.29 2jqj n GLY 43 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 2jqj n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jqj s LYS 44 N 0.00 0.12 0.28 1.61 2.47 -0.97 -5.19 119.74 118.07 2jqj s LYS 44 Ca 0.00 -0.06 0.07 0.00 -1.56 0.00 0.00 55.97 54.42 2jqj s LYS 44 Cb 0.00 0.05 -0.06 0.00 -1.46 0.00 0.00 37.83 36.36 2jqj s LYS 44 CO 0.00 -0.06 -0.05 -1.21 0.16 0.00 0.00 175.35 174.19 2jqj s GLU 45 N -2.15 1.56 -0.16 4.03 2.02 -1.26 -2.59 118.70 120.14 2jqj s GLU 45 Ca 0.13 -1.80 -0.07 0.00 0.02 0.00 0.00 54.97 53.25 2jqj s GLU 45 Cb 0.02 -1.16 0.07 0.00 0.10 0.00 0.00 34.13 33.16 2jqj s GLU 45 CO -0.04 0.03 0.37 -1.14 0.02 0.00 0.00 175.26 174.50 2jqj s GLN 46 N -3.73 0.30 -0.15 1.61 2.00 -1.10 -4.96 119.66 113.63 2jqj s GLN 46 Ca 0.30 0.83 -0.07 0.00 -2.00 0.00 0.00 55.36 54.42 2jqj s GLN 46 Cb 0.04 0.08 -0.04 0.00 0.80 0.00 0.00 33.01 33.89 2jqj s GLN 46 CO 0.12 -0.21 0.09 0.15 -0.50 0.00 0.00 175.29 174.94 2jqj s LYS 47 N 1.97 3.69 0.12 1.67 1.02 -1.26 0.84 119.74 127.80 2jqj s LYS 47 Ca -0.05 -0.27 0.10 0.00 0.02 0.00 0.00 55.97 55.78 2jqj s LYS 47 Cb -0.10 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2jqj s LYS 47 CO -0.12 0.50 -0.25 0.08 -0.92 0.00 0.00 175.35 174.65 2jqj s VAL 48 N -0.27 2.08 -0.12 3.17 1.01 0.11 -4.92 120.40 121.47 2jqj s VAL 48 Ca 0.09 -1.70 -0.15 0.00 0.00 0.00 0.00 61.98 60.23 2jqj s VAL 48 Cb -0.12 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 2jqj s VAL 48 CO 0.01 0.03 0.34 -1.61 0.00 0.00 0.00 175.10 173.88 2jqj s GLU 49 N -2.04 4.17 -0.10 2.72 2.02 -1.26 0.30 118.70 124.50 2jqj s GLU 49 Ca 0.12 0.22 0.02 0.00 0.02 0.00 0.00 54.97 55.34 2jqj s GLU 49 Cb -0.10 -3.38 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 2jqj s GLU 49 CO 0.06 0.33 -0.17 -1.50 0.02 0.00 0.00 175.26 174.00 2jqj s ILE 50 N 0.14 2.74 0.41 -1.63 2.07 -0.50 -4.92 121.20 119.51 2jqj s ILE 50 Ca 0.20 -0.79 0.06 0.00 -1.41 0.00 0.00 60.65 58.71 2jqj s ILE 50 Cb -0.14 -2.10 0.01 0.00 0.13 0.00 0.00 42.46 40.35 2jqj s ILE 50 CO 0.07 0.55 0.56 0.42 -1.91 0.00 0.00 174.94 174.63 2jqj s THR 51 N 0.12 3.38 -1.04 4.00 -4.23 -1.26 -2.26 115.64 114.35 2jqj s THR 51 Ca -0.08 -0.94 -0.05 0.00 -1.18 0.00 0.00 61.69 59.44 2jqj s THR 51 Cb -0.15 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 70.81 2jqj s THR 51 CO 0.05 -0.07 1.21 -0.46 -0.54 0.00 0.00 174.62 174.82 2jqj n ASN 52 N -1.84 5.64 -1.95 3.99 0.23 -1.08 -4.79 115.26 115.46 2jqj n ASN 52 Ca 0.05 -3.25 -0.03 0.00 -0.53 0.00 0.00 54.58 50.83 2jqj n ASN 52 Cb 0.59 -1.24 0.32 0.00 -2.08 0.00 0.00 39.78 37.37 2jqj n ASN 52 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2jqj n ARG 53 N 1.90 3.94 0.00 -3.83 1.85 -1.26 -4.81 116.66 114.45 2jqj n ARG 53 Ca 0.25 -2.98 0.00 0.00 -1.00 0.00 0.00 57.85 54.12 2jqj n ARG 53 Cb 0.36 -2.20 0.00 0.00 -1.05 0.00 0.00 32.46 29.57 2jqj n ARG 53 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jqj n ASN 54 N 0.07 0.00 -3.89 2.89 4.13 -0.86 -4.80 115.26 112.79 2jqj n ASN 54 Ca 0.36 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.47 2jqj n ASN 54 Cb 1.31 -0.03 -0.15 0.00 -1.54 0.00 0.00 39.78 39.37 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jqj s VAL 55 N -0.04 0.21 -0.08 2.41 1.01 -1.26 -2.07 120.40 120.59 2jqj s VAL 55 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2jqj s VAL 55 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.17 2jqj s VAL 55 CO 0.00 0.09 -0.17 -0.89 0.00 0.00 0.00 175.10 174.14 2jqj s THR 56 N 0.30 1.48 -0.11 3.92 2.01 0.44 -4.88 115.64 118.80 2jqj s THR 56 Ca -0.03 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 2jqj s THR 56 Cb -0.05 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2jqj s THR 56 CO -0.01 0.43 0.06 0.42 -0.69 0.00 0.00 174.62 174.83 2jqj s THR 57 N 0.55 4.81 -0.03 -0.82 -4.23 -1.26 -0.63 115.64 114.03 2jqj s THR 57 Ca -0.16 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 2jqj s THR 57 Cb -0.17 -3.07 0.01 0.00 1.34 0.00 0.00 72.50 70.61 2jqj s THR 57 CO 0.06 0.59 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.02 2jqj s ILE 58 N -0.79 0.75 0.00 2.99 1.09 -0.89 0.20 121.20 124.55 2jqj s ILE 58 Ca 0.13 -0.33 0.00 0.00 -1.10 0.00 0.00 60.65 59.34 2jqj s ILE 58 Cb -0.12 -0.68 0.00 0.00 -1.06 0.00 0.00 42.46 40.61 2jqj s ILE 58 CO 0.03 0.24 0.00 0.61 -0.10 0.00 0.00 174.94 175.72 2jqj n GLY 59 N 3.37 -0.36 0.12 6.18 0.00 -0.98 -3.01 105.19 110.51 2jqj n GLY 59 Ca -0.19 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 0.59 -1.61 1.61 0.63 -1.07 -2.89 116.66 113.92 2jqj n ARG 60 Ca 0.00 0.40 -0.61 0.00 -0.92 0.00 0.00 57.85 56.72 2jqj n ARG 60 Cb 0.00 -1.62 -0.09 0.00 0.45 0.00 0.00 32.46 31.20 2jqj n ARG 60 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2jqj n SER 61 N -4.27 1.60 0.27 6.15 3.41 -1.26 -4.78 113.62 114.74 2jqj n SER 61 Ca -0.43 0.97 0.18 0.00 -0.26 0.00 0.00 58.87 59.33 2jqj n SER 61 Cb 0.80 -1.01 0.94 0.00 -0.26 0.00 0.00 64.21 64.68 2jqj n SER 61 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2jqj h ARG 62 N 7.27 0.00 0.00 4.33 3.08 -1.91 0.14 114.38 127.28 2jqj h ARG 62 Ca -0.36 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 2jqj h ARG 62 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 2jqj h ARG 62 CO 1.00 0.00 -0.20 0.77 -1.07 0.00 0.00 179.97 180.47 2jqj h SER 63 N 0.00 0.00 -3.04 7.04 0.02 -1.88 -3.45 113.55 112.24 2jqj h SER 63 Ca 0.04 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.54 2jqj h SER 63 Cb 0.34 0.00 0.22 0.00 0.14 0.00 0.00 62.40 63.10 2jqj h SER 63 CO -0.00 0.20 -0.32 0.00 -1.14 0.00 0.00 176.83 175.57 2jqj h ASP 65 N -2.43 -0.39 -3.68 0.00 5.19 0.20 -3.45 116.42 111.86 2jqj h ASP 65 Ca -0.58 -0.15 -0.58 0.00 -0.62 0.00 0.00 57.03 55.10 2jqj h ASP 65 Cb 1.33 0.10 -0.32 0.00 0.18 0.00 0.00 39.33 40.62 2jqj h ASP 65 CO 0.45 0.05 -0.84 -0.69 -3.12 0.00 0.00 179.24 175.09 2jqj s VAL 66 N -3.95 1.51 -0.20 -1.35 1.01 0.90 -4.94 120.40 113.38 2jqj s VAL 66 Ca -0.12 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 2jqj s VAL 66 Cb 0.01 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2jqj s VAL 66 CO 0.43 0.44 0.09 0.27 0.00 0.00 0.00 175.10 176.32 2jqj s ILE 67 N 0.24 4.92 0.00 2.22 -4.36 -1.26 -2.33 121.20 120.64 2jqj s ILE 67 Ca -0.09 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.32 2jqj s ILE 67 Cb -0.14 -3.25 0.00 0.00 1.25 0.00 0.00 42.46 40.32 2jqj s ILE 67 CO 0.04 0.42 0.00 0.18 0.24 0.00 0.00 174.94 175.82 2jqj n LEU 68 N 3.81 0.22 0.00 0.37 4.77 -1.14 -4.96 117.00 120.07 2jqj n LEU 68 Ca -0.16 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2jqj n LEU 68 Cb 0.52 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2jqj n LEU 68 CO 0.35 -0.43 0.00 -0.24 -1.33 0.00 0.00 177.39 175.74 2jqj n SER 69 N -2.06 0.00 0.00 -1.43 2.88 -1.26 -5.09 113.62 106.66 2jqj n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jqj n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jqj n SER 69 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jqj n GLU 70 N 0.00 0.00 -0.33 -1.46 2.13 -1.26 -4.87 120.64 114.86 2jqj n GLU 70 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2jqj n GLU 70 Cb 0.00 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.79 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2jqj h PRO 71 N 0.00 1.25 0.00 5.31 0.13 -2.00 -3.19 132.00 133.50 2jqj h PRO 71 Ca 0.00 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2jqj h PRO 71 Cb 0.00 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 30.85 2jqj h PRO 71 CO 0.00 0.93 -0.51 -0.25 -0.23 0.00 0.00 178.00 177.94 2jqj n ASP 72 N -4.32 1.67 -4.41 1.44 8.00 -1.26 -5.02 116.55 112.66 2jqj n ASP 72 Ca 0.09 -3.59 -0.34 0.00 0.71 0.00 0.00 54.79 51.66 2jqj n ASP 72 Cb 0.12 -0.49 -0.13 0.00 -0.02 0.00 0.00 41.12 40.60 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 -2.80 3.58 0.27 0.53 1.10 -1.21 -4.99 121.20 117.69 2jqj s ILE 73 Ca 0.36 -0.45 -0.31 0.00 -0.51 0.00 0.00 60.65 59.75 2jqj s ILE 73 Cb 0.36 -2.59 -0.12 0.00 0.15 0.00 0.00 42.46 40.26 2jqj s ILE 73 CO -0.07 0.46 1.62 -1.20 -2.11 0.00 0.00 174.94 173.64 2jqj n SER 74 N 4.05 3.85 -0.13 4.50 7.64 -1.26 -4.06 113.62 128.20 2jqj n SER 74 Ca -0.18 1.13 -0.10 0.00 1.01 0.00 0.00 58.87 60.73 2jqj n SER 74 Cb 0.52 -1.58 -0.02 0.00 -1.01 0.00 0.00 64.21 62.12 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 3.43 1.25 -0.68 0.44 2.02 -1.92 -2.79 112.91 114.67 2jqj h THR 75 Ca -0.46 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 65.77 2jqj h THR 75 Cb 1.22 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 2jqj h THR 75 CO 0.83 0.32 0.00 0.49 0.37 0.00 0.00 175.52 177.52 2jqj n PHE 76 N -4.51 1.40 0.00 3.16 3.01 -1.26 -4.16 117.46 115.10 2jqj n PHE 76 Ca -0.01 -0.59 0.00 0.00 1.01 0.00 0.00 57.45 57.86 2jqj n PHE 76 Cb 0.26 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 2jqj n PHE 76 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jqj n HIS 77 N 1.27 0.00 -3.77 1.38 -0.00 -1.09 -4.63 115.22 108.38 2jqj n HIS 77 Ca 0.26 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.34 2jqj n HIS 77 Cb 0.84 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.67 2jqj n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jqj s ALA 78 N -2.00 -0.75 -0.04 1.57 0.00 -1.16 -3.98 121.76 115.39 2jqj s ALA 78 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.65 2jqj s ALA 78 Cb 0.00 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.96 2jqj s ALA 78 CO 0.00 -0.75 -0.08 -1.21 0.00 0.00 0.00 175.76 173.72 2jqj s GLU 79 N -3.88 1.03 -0.09 0.00 2.02 -1.22 -2.09 118.70 114.47 2jqj s GLU 79 Ca 0.10 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.88 2jqj s GLU 79 Cb 0.00 -0.95 -0.00 0.00 0.10 0.00 0.00 34.13 33.28 2jqj s GLU 79 CO -0.04 0.03 -0.23 -0.06 0.02 0.00 0.00 175.26 174.98 2jqj s PHE 80 N 0.53 2.56 -0.32 1.61 0.40 0.20 -2.78 117.98 120.19 2jqj s PHE 80 Ca -0.08 -0.94 -0.16 0.00 -0.60 0.00 0.00 56.93 55.15 2jqj s PHE 80 Cb -0.12 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 2jqj s PHE 80 CO 0.01 -0.36 0.40 -1.01 0.70 0.00 0.00 175.22 174.96 2jqj s HIS 81 N 0.24 3.22 -0.37 0.36 3.76 -0.96 0.17 115.29 121.70 2jqj s HIS 81 Ca -0.15 0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 54.83 2jqj s HIS 81 Cb -0.17 -2.69 0.04 0.00 1.11 0.00 0.00 32.58 30.87 2jqj s HIS 81 CO 0.08 -0.39 0.18 -0.51 -0.85 0.00 0.00 174.74 173.25 2jqj s LEU 82 N 2.12 4.66 -0.01 0.89 1.02 -0.88 -1.77 118.68 124.70 2jqj s LEU 82 Ca 0.14 -1.11 0.07 0.00 0.02 0.00 0.00 54.13 53.25 2jqj s LEU 82 Cb -0.16 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 2jqj s LEU 82 CO 0.11 -0.39 -0.23 -1.48 0.02 0.00 0.00 176.35 174.39 2jqj s LEU 83 N 1.49 2.05 -0.25 1.79 0.05 -1.09 -2.04 118.68 120.68 2jqj s LEU 83 Ca 0.01 -0.42 -0.08 0.00 0.05 0.00 0.00 54.13 53.69 2jqj s LEU 83 Cb -0.20 -1.17 -0.04 0.00 -2.05 0.00 0.00 46.19 42.74 2jqj s LEU 83 CO 0.05 0.28 0.10 -1.10 -0.55 0.00 0.00 176.35 175.13 2jqj s GLN 84 N -0.56 3.77 0.02 1.48 -0.21 -1.26 -2.99 119.66 119.90 2jqj s GLN 84 Ca 0.09 -0.42 0.09 0.00 0.02 0.00 0.00 55.36 55.13 2jqj s GLN 84 Cb -0.09 -3.41 -0.03 0.00 1.00 0.00 0.00 33.01 30.49 2jqj s GLN 84 CO -0.01 -0.14 -0.26 -1.64 -2.12 0.00 0.00 175.29 171.12 2jqj s MET 85 N 1.54 1.95 -0.21 2.91 -1.94 -1.02 -4.97 119.30 117.57 2jqj s MET 85 Ca 0.06 -1.03 -0.06 0.00 -1.71 0.00 0.00 55.69 52.96 2jqj s MET 85 Cb -0.15 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.64 2jqj s MET 85 CO 0.05 0.53 0.03 0.16 -0.01 0.00 0.00 175.02 175.78 2jqj s ASP 86 N -1.00 5.04 -0.07 3.03 1.47 -1.26 -0.22 116.67 123.67 2jqj s ASP 86 Ca 0.11 -0.15 0.05 0.00 1.18 0.00 0.00 52.55 53.74 2jqj s ASP 86 Cb -0.10 -1.87 -0.00 0.00 -0.34 0.00 0.00 42.92 40.61 2jqj s ASP 86 CO 0.01 0.07 -0.22 0.68 0.68 0.00 0.00 175.17 176.39 2jqj s VAL 87 N 0.99 1.86 0.00 2.11 -7.23 -1.09 -4.87 120.40 112.17 2jqj s VAL 87 Ca 0.02 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2jqj s VAL 87 Cb -0.14 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.20 2jqj s VAL 87 CO 0.02 0.52 0.00 0.47 -0.31 0.00 0.00 175.10 175.80 2jqj n ASP 88 N 3.31 0.00 0.00 4.85 8.00 -1.26 -2.25 116.55 129.20 2jqj n ASP 88 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2jqj n ASP 88 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2jqj n ASP 88 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jqj n ASN 89 N 1.69 0.00 -2.56 -2.24 5.15 -1.26 -5.17 115.26 110.87 2jqj n ASN 89 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 2jqj n ASN 89 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 2jqj n ASN 89 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2jqj n PHE 90 N 0.00 -1.02 -4.93 1.20 3.72 -0.95 -5.16 117.46 110.31 2jqj n PHE 90 Ca 0.00 -1.88 -0.33 0.00 -0.05 0.00 0.00 57.45 55.19 2jqj n PHE 90 Cb 0.00 0.36 -0.16 0.00 -0.94 0.00 0.00 39.48 38.74 2jqj n PHE 90 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2jqj s GLN 91 N -2.73 3.20 0.12 -1.08 0.00 -1.26 -2.68 119.66 115.23 2jqj s GLN 91 Ca 0.24 -0.79 0.09 0.00 -0.00 0.00 0.00 55.36 54.91 2jqj s GLN 91 Cb -0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 33.01 30.49 2jqj s GLN 91 CO 0.17 0.16 -0.18 1.03 0.00 0.00 0.00 175.29 176.48 2jqj s ARG 92 N 0.43 1.78 -0.18 9.60 0.52 0.70 -4.99 118.95 126.80 2jqj s ARG 92 Ca -0.14 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 53.87 2jqj s ARG 92 Cb -0.17 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 2jqj s ARG 92 CO 0.06 0.48 -0.10 -0.80 0.02 0.00 0.00 175.30 174.96 2jqj s ASN 93 N -2.17 4.00 -0.09 0.23 0.02 -1.26 -2.42 114.94 113.25 2jqj s ASN 93 Ca 0.18 -0.41 0.00 0.00 -1.02 0.00 0.00 52.86 51.62 2jqj s ASN 93 Cb -0.10 -1.65 0.02 0.00 0.02 0.00 0.00 41.25 39.54 2jqj s ASN 93 CO 0.10 0.05 -0.08 -0.76 0.02 0.00 0.00 177.10 176.43 2jqj s LEU 94 N 1.03 1.30 -0.02 0.60 1.02 -1.16 -4.93 118.68 116.52 2jqj s LEU 94 Ca -0.00 -0.27 0.06 0.00 0.02 0.00 0.00 54.13 53.93 2jqj s LEU 94 Cb -0.15 -0.78 -0.03 0.00 0.02 0.00 0.00 46.19 45.26 2jqj s LEU 94 CO -0.02 -0.07 -0.18 -0.63 0.02 0.00 0.00 176.35 175.47 2jqj s ILE 95 N 1.34 2.71 0.01 -0.59 1.09 -1.14 -2.67 121.20 121.96 2jqj s ILE 95 Ca -0.02 -0.93 0.05 0.00 -1.10 0.00 0.00 60.65 58.65 2jqj s ILE 95 Cb -0.14 -2.05 -0.03 0.00 -1.06 0.00 0.00 42.46 39.18 2jqj s ILE 95 CO -0.04 0.54 -0.14 0.21 -0.10 0.00 0.00 174.94 175.41 2jqj s ASN 96 N -0.84 4.12 -0.15 3.58 2.47 -0.73 0.73 114.94 124.11 2jqj s ASN 96 Ca 0.12 -0.29 -0.00 0.00 0.42 0.00 0.00 52.86 53.10 2jqj s ASN 96 Cb -0.10 -0.81 -0.01 0.00 -1.45 0.00 0.00 41.25 38.88 2jqj s ASN 96 CO 0.01 0.28 -0.14 -0.69 -3.72 0.00 0.00 177.10 172.84 2jqj s VAL 97 N -0.92 2.83 -0.04 -5.21 1.01 0.80 -2.27 120.40 116.60 2jqj s VAL 97 Ca 0.15 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2jqj s VAL 97 Cb -0.11 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 2jqj s VAL 97 CO 0.05 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 174.89 2jqj s ILE 98 N 0.76 1.22 -0.24 2.22 1.09 -1.12 -2.81 121.20 122.33 2jqj s ILE 98 Ca -0.06 -0.60 -0.06 0.00 -1.10 0.00 0.00 60.65 58.83 2jqj s ILE 98 Cb -0.15 -1.06 -0.02 0.00 -1.06 0.00 0.00 42.46 40.16 2jqj s ILE 98 CO 0.01 0.36 0.04 1.51 -0.10 0.00 0.00 174.94 176.76 2jqj s ASP 99 N 0.08 4.93 -0.08 3.58 -4.77 -1.26 -3.37 116.67 115.77 2jqj s ASP 99 Ca -0.03 -0.25 0.23 0.00 -3.30 0.00 0.00 52.55 49.20 2jqj s ASP 99 Cb -0.10 -1.88 0.45 0.00 -1.09 0.00 0.00 42.92 40.29 2jqj s ASP 99 CO 0.02 -0.03 1.16 2.29 0.70 0.00 0.00 175.17 179.31 2jqj n LYS 100 N 4.86 0.62 -4.60 2.11 2.85 -1.26 -5.09 118.16 117.65 2jqj n LYS 100 Ca -0.17 -2.51 -0.28 0.00 -1.05 0.00 0.00 58.31 54.30 2jqj n LYS 100 Cb 0.51 -0.56 -0.08 0.00 -0.65 0.00 0.00 35.03 34.25 2jqj n LYS 100 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jqj s SER 101 N -2.55 3.27 -0.27 -5.58 0.01 -1.26 -4.94 113.70 102.40 2jqj s SER 101 Ca 0.33 -1.69 0.13 0.00 1.31 0.00 0.00 55.95 56.03 2jqj s SER 101 Cb 0.37 0.56 0.47 0.00 0.21 0.00 0.00 66.02 67.64 2jqj s SER 101 CO -0.13 -0.93 1.16 -2.11 0.41 0.00 0.00 173.24 171.64 2jqj n ARG 102 N -1.05 2.74 -0.04 12.44 1.85 -1.26 -4.83 116.66 126.51 2jqj n ARG 102 Ca -0.11 -3.82 -0.06 0.00 -1.00 0.00 0.00 57.85 52.86 2jqj n ARG 102 Cb 0.65 -1.94 -0.02 0.00 -1.05 0.00 0.00 32.46 30.11 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 -0.65 1.56 0.00 2.89 4.13 -1.26 -5.11 115.26 116.82 2jqj n ASN 103 Ca 0.29 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.80 2jqj n ASN 103 Cb 0.90 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 38.55 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 2.14 2.06 3.22 7.41 0.00 -1.26 -4.91 105.19 113.85 2jqj n GLY 104 Ca -0.09 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 2.40 -0.14 2.61 2.01 -1.26 -0.25 115.64 121.00 2jqj s THR 105 Ca 0.00 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.16 2jqj s THR 105 Cb 0.00 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.53 2jqj s THR 105 CO 0.00 0.53 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.90 2jqj s PHE 106 N 0.85 2.56 -0.09 4.92 0.40 -0.42 -4.07 117.98 122.12 2jqj s PHE 106 Ca -0.05 -1.34 -0.00 0.00 -0.60 0.00 0.00 56.93 54.93 2jqj s PHE 106 Cb -0.15 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 2jqj s PHE 106 CO -0.01 -0.64 -0.06 -1.50 0.70 0.00 0.00 175.22 173.71 2jqj s ILE 107 N 0.98 3.78 -1.76 0.64 1.10 -0.31 -0.95 121.20 124.68 2jqj s ILE 107 Ca -0.04 -0.44 0.00 0.00 -0.51 0.00 0.00 60.65 59.67 2jqj s ILE 107 Cb -0.15 -2.57 0.00 0.00 0.15 0.00 0.00 42.46 39.89 2jqj s ILE 107 CO -0.05 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.95 2jqj n ASN 108 N 2.56 -5.78 -0.09 4.50 5.03 -0.48 -1.09 115.26 119.91 2jqj n ASN 108 Ca -0.18 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.26 2jqj n ASN 108 Cb 0.53 -4.81 -0.01 0.00 -1.02 0.00 0.00 39.78 34.47 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 -1.00 0.40 3.12 7.41 0.00 -1.26 -4.98 105.19 108.88 2jqj n GLY 109 Ca -0.24 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.13 1.21 0.43 1.61 0.01 -0.25 -5.12 114.94 110.71 2jqj s ASN 110 Ca 0.00 -0.66 -0.25 0.00 -0.71 0.00 0.00 52.86 51.23 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 1.35 -0.13 -1.51 0.00 0.00 177.10 176.60 2jqj s ARG 111 N -2.08 3.81 0.03 -0.60 0.52 -1.26 -1.17 118.95 118.20 2jqj s ARG 111 Ca -0.03 2.26 -0.26 0.00 -0.52 0.00 0.00 55.73 57.18 2jqj s ARG 111 Cb -0.07 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.67 2jqj s ARG 111 CO 0.00 -0.66 0.80 -1.17 0.02 0.00 0.00 175.30 174.30 2jqj s LEU 112 N -2.61 4.42 0.00 2.53 0.20 -1.26 -4.83 118.68 117.13 2jqj s LEU 112 Ca 0.59 1.46 0.00 0.00 0.69 0.00 0.00 54.13 56.88 2jqj s LEU 112 Cb -0.40 -3.29 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 2jqj s LEU 112 CO 0.52 -0.05 0.00 0.55 -0.29 0.00 0.00 176.35 177.07 2jqj n VAL 113 N 3.13 0.00 -2.37 1.68 3.14 -1.26 -5.05 118.33 117.59 2jqj n VAL 113 Ca -0.01 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.01 2jqj n VAL 113 Cb 0.50 -0.76 -0.02 0.00 -1.06 0.00 0.00 33.84 32.50 2jqj n VAL 113 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2jqj s LYS 114 N -1.98 3.80 0.08 1.45 3.01 -1.26 -4.97 119.74 119.88 2jqj s LYS 114 Ca 0.00 1.62 -0.09 0.00 -1.01 0.00 0.00 55.97 56.49 2jqj s LYS 114 Cb 0.00 -2.32 -0.23 0.00 -1.01 0.00 0.00 37.83 34.26 2jqj s LYS 114 CO 0.00 -0.48 1.17 0.87 0.51 0.00 0.00 175.35 177.42 2jqj h LYS 115 N 1.94 0.47 -3.11 1.68 1.57 -1.97 -3.38 116.57 113.77 2jqj h LYS 115 Ca -0.49 -0.63 -0.70 0.00 -1.87 0.00 0.00 60.65 56.97 2jqj h LYS 115 Cb 1.24 0.21 -0.36 0.00 0.08 0.00 0.00 32.23 33.40 2jqj h LYS 115 CO 0.60 1.26 -0.10 -0.25 -0.57 0.00 0.00 179.45 180.39 2jqj n ASP 116 N -3.71 4.30 -4.73 0.86 9.92 -1.26 -4.55 116.55 117.38 2jqj n ASP 116 Ca -0.10 -3.21 -0.41 0.00 -0.53 0.00 0.00 54.79 50.54 2jqj n ASP 116 Cb 0.96 -1.01 -0.05 0.00 -0.64 0.00 0.00 41.12 40.38 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2jqj s TYR 117 N -1.68 3.86 -0.26 1.24 5.04 -1.12 -4.91 117.35 119.52 2jqj s TYR 117 Ca 0.29 1.83 -0.12 0.00 -2.44 0.00 0.00 57.07 56.63 2jqj s TYR 117 Cb -0.03 -3.03 -0.05 0.00 0.35 0.00 0.00 41.96 39.20 2jqj s TYR 117 CO -0.09 0.27 0.23 -1.50 -1.34 0.00 0.00 175.55 173.12 2jqj s ILE 118 N -0.29 5.29 -0.16 3.14 1.10 -1.26 -0.14 121.20 128.88 2jqj s ILE 118 Ca 0.45 0.29 -0.07 0.00 -0.51 0.00 0.00 60.65 60.82 2jqj s ILE 118 Cb -0.24 -3.57 -0.04 0.00 0.15 0.00 0.00 42.46 38.76 2jqj s ILE 118 CO 0.30 0.27 0.07 -0.22 -2.11 0.00 0.00 174.94 173.26 2jqj s LEU 119 N 1.52 3.93 0.47 8.50 0.20 0.22 -4.96 118.68 128.56 2jqj s LEU 119 Ca 0.10 0.17 0.02 0.00 0.69 0.00 0.00 54.13 55.11 2jqj s LEU 119 Cb -0.15 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.61 2jqj s LEU 119 CO 0.08 0.24 0.05 -0.54 -0.29 0.00 0.00 176.35 175.89 2jqj s LYS 120 N -0.01 2.09 0.35 1.98 -0.14 -1.26 -2.89 119.74 119.86 2jqj s LYS 120 Ca 0.07 -2.31 -0.29 0.00 -1.36 0.00 0.00 55.97 52.08 2jqj s LYS 120 Cb -0.12 -1.18 -0.11 0.00 -1.68 0.00 0.00 37.83 34.74 2jqj s LYS 120 CO 0.01 -0.40 1.52 0.54 -0.76 0.00 0.00 175.35 176.26 2jqj s ASN 121 N -3.77 6.34 -0.29 2.83 2.20 -1.26 -3.63 114.94 117.36 2jqj s ASN 121 Ca 0.13 3.03 -0.01 0.00 -0.94 0.00 0.00 52.86 55.07 2jqj s ASN 121 Cb 0.02 -2.66 -0.01 0.00 -2.00 0.00 0.00 41.25 36.60 2jqj s ASN 121 CO 0.08 -0.89 0.25 0.61 -2.94 0.00 0.00 177.10 174.20 2jqj n GLY 122 N 0.96 0.32 3.00 0.45 0.00 0.13 -4.98 105.19 105.07 2jqj n GLY 122 Ca 0.03 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.20 1.42 0.01 1.61 1.11 -1.15 -4.98 116.67 111.48 2jqj s ASP 123 Ca 0.07 -0.23 -0.26 0.00 0.18 0.00 0.00 52.55 52.32 2jqj s ASP 123 Cb -0.01 -0.52 -0.05 0.00 1.07 0.00 0.00 42.92 43.41 2jqj s ASP 123 CO 0.19 0.04 0.80 -0.13 1.18 0.00 0.00 175.17 177.25 2jqj s ARG 124 N 0.45 4.51 -0.18 8.23 0.52 -1.26 -2.10 118.95 129.11 2jqj s ARG 124 Ca -0.08 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.23 2jqj s ARG 124 Cb -0.12 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.96 2jqj s ARG 124 CO 0.02 0.17 -0.16 0.42 0.02 0.00 0.00 175.30 175.76 2jqj s ILE 125 N 0.33 2.44 -0.14 1.52 -1.09 0.22 -1.38 121.20 123.10 2jqj s ILE 125 Ca 0.41 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2jqj s ILE 125 Cb -0.20 -2.04 -0.01 0.00 -1.58 0.00 0.00 42.46 38.63 2jqj s ILE 125 CO 0.23 0.51 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.62 2jqj s VAL 126 N 1.17 2.87 -0.18 2.92 1.01 -0.12 -0.65 120.40 127.41 2jqj s VAL 126 Ca 0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2jqj s VAL 126 Cb -0.14 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.09 2jqj s VAL 126 CO -0.07 0.52 0.00 -0.36 0.00 0.00 0.00 175.10 175.19 2jqj s PHE 127 N 0.52 1.36 0.00 5.22 0.08 -0.46 -1.30 117.98 123.40 2jqj s PHE 127 Ca -0.09 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 55.96 2jqj s PHE 127 Cb -0.16 -1.16 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 2jqj s PHE 127 CO 0.04 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 174.96 2jqj n GLY 128 N 4.96 2.03 0.00 4.36 0.00 0.65 -4.02 105.19 113.17 2jqj n GLY 128 Ca -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.61 4.81 -1.26 -4.60 118.16 118.72 2jqj n LYS 129 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jqj n LYS 129 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2jqj n SER 130 N 0.00 0.00 -4.54 3.14 3.41 -1.26 -5.10 113.62 109.27 2jqj n SER 130 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2jqj n SER 130 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 9.99 3.75 0.22 0.00 0.15 -1.26 -1.36 113.70 125.19 2jqj s SER 132 Ca 1.04 -1.09 0.11 0.00 0.70 0.00 0.00 55.95 56.72 2jqj s SER 132 Cb -0.43 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.58 2jqj s SER 132 CO 0.35 -0.19 -0.22 -0.36 1.20 0.00 0.00 173.24 174.01 2jqj s PHE 133 N 1.35 2.26 -0.06 3.44 0.08 0.17 -1.74 117.98 123.48 2jqj s PHE 133 Ca -0.04 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.66 2jqj s PHE 133 Cb -0.18 -1.07 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 2jqj s PHE 133 CO -0.07 0.55 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.34 2jqj s LEU 134 N -2.93 3.02 -0.01 -0.37 0.20 0.28 0.69 118.68 119.56 2jqj s LEU 134 Ca 0.23 -0.08 0.06 0.00 0.69 0.00 0.00 54.13 55.03 2jqj s LEU 134 Cb -0.07 -1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 44.02 2jqj s LEU 134 CO 0.11 0.36 -0.19 0.12 -0.29 0.00 0.00 176.35 176.46 2jqj s PHE 135 N -0.79 2.56 0.13 5.38 2.19 -0.89 0.66 117.98 127.21 2jqj s PHE 135 Ca 0.12 -0.26 -0.17 0.00 0.33 0.00 0.00 56.93 56.95 2jqj s PHE 135 Cb -0.11 -1.54 0.04 0.00 -1.31 0.00 0.00 43.02 40.10 2jqj s PHE 135 CO 0.01 0.15 0.43 0.21 1.83 0.00 0.00 175.22 177.85 2jqj s LYS 136 N -0.94 1.09 0.17 10.12 2.20 -1.09 -0.69 119.74 130.59 2jqj s LYS 136 Ca 0.12 -0.66 -0.25 0.00 -0.36 0.00 0.00 55.97 54.82 2jqj s LYS 136 Cb -0.10 0.48 -0.08 0.00 -1.51 0.00 0.00 37.83 36.62 2jqj s LYS 136 CO 0.02 -0.43 0.77 0.71 -0.36 0.00 0.00 175.35 176.06 2jqj s TYR 137 N -3.73 3.89 -0.18 4.03 2.02 -1.26 -1.86 117.35 120.26 2jqj s TYR 137 Ca 0.02 1.62 -0.12 0.00 -0.37 0.00 0.00 57.07 58.22 2jqj s TYR 137 Cb 0.01 -2.76 -0.08 0.00 -0.40 0.00 0.00 41.96 38.74 2jqj s TYR 137 CO -0.12 0.51 -0.28 0.00 -1.57 0.00 0.00 175.55 174.09 2jqj n ALA 138 N 1.54 1.46 -3.60 3.71 0.00 -0.97 -4.87 120.51 117.78 2jqj n ALA 138 Ca -0.06 -0.79 0.03 0.00 0.00 0.00 0.00 53.44 52.62 2jqj n ALA 138 Cb 0.49 0.16 -0.00 0.00 0.00 0.00 0.00 19.45 20.09 2jqj n ALA 138 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jqj s SER 139 N -6.58 -0.03 -0.05 0.00 0.01 -1.19 -5.03 113.70 100.84 2jqj s SER 139 Ca -0.28 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2jqj s SER 139 Cb 0.09 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 2jqj s SER 139 CO 0.37 -0.18 -0.04 -1.20 0.41 0.00 0.00 173.24 172.60 2jqj n SER 140 N -0.51 3.53 -2.98 2.44 7.64 -1.26 -4.06 113.62 118.42 2jqj n SER 140 Ca -0.09 -0.02 -0.14 0.00 1.01 0.00 0.00 58.87 59.64 2jqj n SER 140 Cb 0.63 -0.07 0.07 0.00 -1.01 0.00 0.00 64.21 63.83 2jqj n SER 140 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jqj n SER 141 N -2.65 -3.11 -0.91 6.43 2.88 -1.26 -4.78 113.62 110.22 2jqj n SER 141 Ca -0.08 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2jqj n SER 141 Cb 0.58 -4.33 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 2jqj n SER 141 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jqj n SER 142 N -2.80 -5.67 -3.87 -3.46 2.88 -1.26 -4.93 113.62 94.52 2jqj n SER 142 Ca -0.19 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.17 2jqj n SER 142 Cb 0.63 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.08 2jqj n SER 142 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2jqj n THR 143 N -1.82 0.00 0.00 2.46 5.66 -1.26 -5.12 114.28 114.19 2jqj n THR 143 Ca 0.00 -1.50 0.00 0.00 -3.05 0.00 0.00 64.05 59.50 2jqj n THR 143 Cb 0.00 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 2jqj n THR 143 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2jqj n ASP 144 N -1.69 0.00 0.00 1.09 9.92 -1.26 -5.14 116.55 119.47 2jqj n ASP 144 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2jqj n ASP 144 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 2jqj n ASP 144 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2jqj n ILE 145 N -1.02 0.00 -3.23 0.53 -0.00 -1.26 -5.16 119.36 109.22 2jqj n ILE 145 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.79 2jqj n ILE 145 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 2jqj n ILE 145 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2jqj s GLU 146 N 4.34 0.12 -1.42 0.38 -1.05 -1.26 -4.97 118.70 114.84 2jqj s GLU 146 Ca 0.00 0.29 -0.06 0.00 -0.15 0.00 0.00 54.97 55.05 2jqj s GLU 146 Cb 0.00 0.17 0.01 0.00 -0.44 0.00 0.00 34.13 33.87 2jqj s GLU 146 CO 0.00 -0.07 0.74 -1.71 0.95 0.00 0.00 175.26 175.18 2jqj n ASN 147 N 4.92 -6.00 -3.62 0.83 4.05 -1.26 -4.97 115.26 109.21 2jqj n ASN 147 Ca -0.08 -0.34 -0.29 0.00 0.45 0.00 0.00 54.58 54.32 2jqj n ASN 147 Cb 0.54 -4.76 -0.13 0.00 1.23 0.00 0.00 39.78 36.66 2jqj n ASN 147 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jqj s ASP 148 N -2.90 3.47 -0.21 1.20 -1.08 -1.26 -5.08 116.67 110.82 2jqj s ASP 148 Ca 0.37 -2.21 -0.07 0.00 -0.52 0.00 0.00 52.55 50.11 2jqj s ASP 148 Cb -0.16 -0.74 0.09 0.00 -1.46 0.00 0.00 42.92 40.65 2jqj s ASP 148 CO 0.46 -0.32 0.44 -0.62 0.52 0.00 0.00 175.17 175.65 2jqj s ASP 149 N 0.94 -0.35 0.04 -0.34 -1.08 -1.26 -5.00 116.67 109.63 2jqj s ASP 149 Ca 0.16 1.04 -0.03 0.00 -0.52 0.00 0.00 52.55 53.20 2jqj s ASP 149 Cb -0.22 1.39 -0.03 0.00 -1.46 0.00 0.00 42.92 42.61 2jqj s ASP 149 CO -0.06 -0.23 0.02 -1.61 0.52 0.00 0.00 175.17 173.81 2jqj s GLU 150 N 2.56 0.57 -0.27 4.34 8.01 -1.26 -5.14 118.70 127.51 2jqj s GLU 150 Ca -0.03 -0.96 -0.01 0.00 0.01 0.00 0.00 54.97 53.98 2jqj s GLU 150 Cb -0.12 0.21 0.15 0.00 -4.31 0.00 0.00 34.13 30.06 2jqj s GLU 150 CO -0.13 -0.12 0.43 0.21 0.01 0.00 0.00 175.26 175.66 2jqj s LYS 151 N -3.12 0.41 -1.07 1.61 2.20 -1.26 -5.09 119.74 113.43 2jqj s LYS 151 Ca -0.01 0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.93 2jqj s LYS 151 Cb 0.02 -0.23 0.12 0.00 -1.51 0.00 0.00 37.83 36.23 2jqj s LYS 151 CO -0.07 -0.76 1.35 0.14 -0.36 0.00 0.00 175.35 175.66 2jqj s VAL 152 N 2.61 4.55 -0.09 4.02 -7.23 -1.26 -4.61 120.40 118.39 2jqj s VAL 152 Ca 0.13 -1.71 0.19 0.00 -1.81 0.00 0.00 61.98 58.79 2jqj s VAL 152 Cb -0.14 -4.93 0.36 0.00 0.56 0.00 0.00 36.38 32.23 2jqj s VAL 152 CO -0.21 -1.70 1.16 -0.24 -0.31 0.00 0.00 175.10 173.80 2jqj n SER 153 N 7.07 0.53 -4.59 4.85 2.88 -1.26 -5.07 113.62 118.04 2jqj n SER 153 Ca 0.32 -2.02 -0.42 0.00 -1.33 0.00 0.00 58.87 55.42 2jqj n SER 153 Cb 0.48 -0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 2jqj n SER 153 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jqj s SER 154 N -2.14 6.34 0.07 -3.46 0.15 -1.26 -4.97 113.70 108.42 2jqj s SER 154 Ca 0.24 0.42 -0.10 0.00 0.70 0.00 0.00 55.95 57.21 2jqj s SER 154 Cb 0.31 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2jqj s SER 154 CO -0.10 -1.51 0.21 -0.70 1.20 0.00 0.00 173.24 172.34 2jqj s GLU 155 N 5.06 0.82 -0.07 5.44 2.12 -1.26 -5.14 118.70 125.67 2jqj s GLU 155 Ca 0.52 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 2jqj s GLU 155 Cb -0.10 0.34 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 2jqj s GLU 155 CO 0.28 -0.26 1.08 0.45 -0.54 0.00 0.00 175.26 176.27 2jqj s SER 156 N -2.60 7.19 -0.00 -1.70 0.15 -1.26 -4.98 113.70 110.50 2jqj s SER 156 Ca 0.01 1.66 -0.30 0.00 0.70 0.00 0.00 55.95 58.03 2jqj s SER 156 Cb 0.03 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 2jqj s SER 156 CO -0.09 -0.47 1.69 -0.13 1.20 0.00 0.00 173.24 175.44 2jqj s ARG 157 N 1.92 4.18 -0.06 5.44 3.00 -1.26 -4.31 118.95 127.86 2jqj s ARG 157 Ca 0.52 2.29 -0.05 0.00 0.00 0.00 0.00 55.73 58.49 2jqj s ARG 157 Cb -0.21 -3.88 0.02 0.00 0.00 0.00 0.00 34.95 30.87 2jqj s ARG 157 CO 0.21 -0.82 0.10 0.43 0.00 0.00 0.00 175.30 175.22 2jqj n SER 158 N 6.67 -5.93 0.00 0.23 7.64 -1.26 -5.32 113.62 115.66 2jqj n SER 158 Ca 0.17 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.70 2jqj n SER 158 Cb 0.42 -5.21 0.00 0.00 -1.01 0.00 0.00 64.21 58.41 2jqj n SER 158 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81