#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 -1.57 -2.21 1.97 3.00 -1.26 -4.98 116.66 111.61 2jqj n ARG 20 Ca 0.00 0.97 -0.10 0.00 -0.01 0.00 0.00 57.85 58.71 2jqj n ARG 20 Cb 0.00 -5.56 0.02 0.00 0.00 0.00 0.00 32.46 26.92 2jqj n ARG 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2jqj n GLN 21 N -2.87 0.94 -2.45 5.56 6.02 -1.26 -4.97 117.38 118.35 2jqj n GLN 21 Ca -0.23 -1.53 -0.04 0.00 -0.01 0.00 0.00 57.00 55.19 2jqj n GLN 21 Cb 0.68 0.01 -0.03 0.00 1.02 0.00 0.00 30.24 31.91 2jqj n GLN 21 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2jqj n GLN 22 N -1.39 -4.60 -4.45 -1.09 0.00 -1.26 -5.07 117.38 99.52 2jqj n GLN 22 Ca 0.04 3.44 -0.22 0.00 -0.00 0.00 0.00 57.00 60.26 2jqj n GLN 22 Cb 0.29 -4.77 -0.10 0.00 0.00 0.00 0.00 30.24 25.66 2jqj n GLN 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2jqj s ARG 23 N -0.69 1.69 0.31 3.69 3.00 -1.26 -5.12 118.95 120.57 2jqj s ARG 23 Ca -0.19 -1.96 -0.29 0.00 0.00 0.00 0.00 55.73 53.29 2jqj s ARG 23 Cb 0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 34.95 34.11 2jqj s ARG 23 CO 0.51 -0.27 1.48 -1.12 0.00 0.00 0.00 175.30 175.90 2jqj s SER 24 N -3.50 6.50 0.19 0.23 0.01 -1.26 -4.79 113.70 111.08 2jqj s SER 24 Ca 0.33 2.86 0.00 0.00 1.31 0.00 0.00 55.95 60.46 2jqj s SER 24 Cb 0.07 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2jqj s SER 24 CO 0.15 -0.79 0.00 -3.20 0.41 0.00 0.00 173.24 169.81 2jqj n ASN 25 N 1.58 -1.71 -4.47 2.44 2.85 -1.26 -5.08 115.26 109.60 2jqj n ASN 25 Ca 0.05 0.37 -0.43 0.00 -0.11 0.00 0.00 54.58 54.45 2jqj n ASN 25 Cb 0.39 1.88 -0.09 0.00 1.24 0.00 0.00 39.78 43.20 2jqj n ASN 25 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2jqj s LYS 26 N -2.00 3.06 0.72 1.20 -0.14 -1.26 -5.06 119.74 116.26 2jqj s LYS 26 Ca 0.00 -0.86 -0.16 0.00 -1.36 0.00 0.00 55.97 53.59 2jqj s LYS 26 Cb 0.00 -3.99 0.02 0.00 -1.68 0.00 0.00 37.83 32.18 2jqj s LYS 26 CO 0.00 -0.87 1.09 -2.30 -0.76 0.00 0.00 175.35 172.51 2jqj n PRO 27 N 5.52 0.59 0.09 -1.68 -0.02 -1.26 -4.96 135.00 133.28 2jqj n PRO 27 Ca -0.08 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2jqj n PRO 27 Cb 0.47 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2jqj n PRO 27 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jqj n SER 28 N -2.04 -0.11 -3.20 2.55 7.64 -1.26 -5.07 113.62 112.13 2jqj n SER 28 Ca 0.14 0.30 -0.06 0.00 1.01 0.00 0.00 58.87 60.26 2jqj n SER 28 Cb 0.49 0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 2jqj n SER 28 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jqj s SER 29 N -4.60 -0.57 0.57 6.43 1.04 -1.26 -5.13 113.70 110.17 2jqj s SER 29 Ca 0.00 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.16 2jqj s SER 29 Cb 0.00 1.42 0.00 0.00 0.10 0.00 0.00 66.02 67.54 2jqj s SER 29 CO 0.00 -0.18 0.00 1.21 0.98 0.00 0.00 173.24 175.25 2jqj n GLU 30 N 4.07 -3.31 0.00 4.02 4.07 -1.26 -5.01 120.64 123.22 2jqj n GLU 30 Ca 0.13 2.59 0.00 0.00 -0.06 0.00 0.00 57.16 59.82 2jqj n GLU 30 Cb 0.53 -3.92 0.00 0.00 -0.06 0.00 0.00 31.44 27.99 2jqj n GLU 30 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2jqj n TYR 31 N -4.38 0.00 -3.76 4.31 4.01 -1.26 -5.11 117.16 110.97 2jqj n TYR 31 Ca -0.07 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.52 2jqj n TYR 31 Cb 0.70 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.57 2jqj n TYR 31 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jqj s THR 32 N 3.14 -0.06 0.34 -0.72 2.01 -1.26 -5.03 115.64 114.05 2jqj s THR 32 Ca 0.00 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 2jqj s THR 32 Cb 0.00 -0.10 -0.11 0.00 0.01 0.00 0.00 72.50 72.31 2jqj s THR 32 CO 0.00 0.09 1.48 0.00 -0.69 0.00 0.00 174.62 175.50 2jqj n LEU 34 N 1.08 0.00 0.00 0.00 7.94 -1.08 -4.95 117.00 119.99 2jqj n LEU 34 Ca 0.03 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.83 2jqj n LEU 34 Cb 0.39 0.05 -0.04 0.00 0.53 0.00 0.00 43.42 44.36 2jqj n LEU 34 CO 0.63 -0.39 -0.06 0.61 -1.11 0.00 0.00 177.39 177.07 2jqj n GLY 35 N 1.12 3.54 3.24 -3.96 0.00 -1.11 -1.47 105.19 106.54 2jqj n GLY 35 Ca 0.00 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 2jqj n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jqj s HIS 36 N -2.56 0.48 -0.07 1.61 3.76 -0.92 -1.19 115.29 116.39 2jqj s HIS 36 Ca 0.17 -0.88 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 2jqj s HIS 36 Cb 0.01 -0.20 0.01 0.00 1.11 0.00 0.00 32.58 33.51 2jqj s HIS 36 CO 0.12 -0.60 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.74 2jqj s LEU 37 N -2.96 1.78 -0.24 0.89 1.43 0.25 -2.87 118.68 116.97 2jqj s LEU 37 Ca 0.16 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 2jqj s LEU 37 Cb 0.05 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 2jqj s LEU 37 CO -0.03 0.08 0.08 -0.69 0.23 0.00 0.00 176.35 176.02 2jqj s VAL 38 N 0.48 4.46 -0.16 -1.59 1.01 -0.52 0.34 120.40 124.41 2jqj s VAL 38 Ca -0.13 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 2jqj s VAL 38 Cb -0.15 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2jqj s VAL 38 CO 0.04 0.36 0.58 0.20 0.00 0.00 0.00 175.10 176.28 2jqj s ASN 39 N 1.39 6.70 -0.48 3.32 -0.87 0.17 -0.45 114.94 124.71 2jqj s ASN 39 Ca 0.05 0.84 -0.19 0.00 -1.57 0.00 0.00 52.86 52.00 2jqj s ASN 39 Cb -0.15 -2.33 0.05 0.00 -0.02 0.00 0.00 41.25 38.80 2jqj s ASN 39 CO 0.04 -0.17 0.58 -0.76 -2.57 0.00 0.00 177.10 174.22 2jqj s LEU 40 N 1.40 4.97 -0.00 0.60 1.02 -0.50 -2.91 118.68 123.26 2jqj s LEU 40 Ca 0.28 -0.87 0.06 0.00 0.02 0.00 0.00 54.13 53.63 2jqj s LEU 40 Cb -0.16 -2.44 -0.02 0.00 0.02 0.00 0.00 46.19 43.60 2jqj s LEU 40 CO 0.11 -0.81 -0.20 -0.63 0.02 0.00 0.00 176.35 174.84 2jqj s ILE 41 N 2.48 1.61 -1.15 -0.59 1.09 -1.10 -4.53 121.20 119.01 2jqj s ILE 41 Ca 0.14 -0.94 -0.22 0.00 -1.10 0.00 0.00 60.65 58.54 2jqj s ILE 41 Cb -0.19 -1.35 -0.01 0.00 -1.06 0.00 0.00 42.46 39.85 2jqj s ILE 41 CO 0.12 0.40 1.80 -2.16 -0.10 0.00 0.00 174.94 175.00 2jqj s PRO 42 N -0.63 3.13 0.00 2.79 0.04 -1.26 -2.47 135.00 136.59 2jqj s PRO 42 Ca 0.08 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 59.85 2jqj s PRO 42 Cb -0.08 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2jqj s PRO 42 CO -0.00 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.36 2jqj n GLY 43 N 6.02 0.60 3.86 0.56 0.00 -1.26 -5.13 105.19 109.84 2jqj n GLY 43 Ca 0.44 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.49 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 0.14 1.61 0.00 -1.03 -5.19 119.74 115.38 2jqj s LYS 44 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 55.97 55.94 2jqj s LYS 44 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 37.83 37.82 2jqj s LYS 44 CO 0.00 -0.05 -0.08 -1.21 0.00 0.00 0.00 175.35 174.01 2jqj s GLU 45 N -2.04 1.03 -0.03 1.78 2.02 -1.26 -2.72 118.70 117.48 2jqj s GLU 45 Ca 0.26 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.81 2jqj s GLU 45 Cb 0.03 -0.50 0.03 0.00 0.10 0.00 0.00 34.13 33.78 2jqj s GLU 45 CO -0.04 0.03 -0.00 -1.14 0.02 0.00 0.00 175.26 174.13 2jqj s GLN 46 N -3.78 0.30 -0.19 1.61 0.74 -1.15 -4.97 119.66 112.22 2jqj s GLN 46 Ca 0.17 0.07 -0.06 0.00 0.05 0.00 0.00 55.36 55.58 2jqj s GLN 46 Cb 0.04 -0.47 -0.03 0.00 1.10 0.00 0.00 33.01 33.64 2jqj s GLN 46 CO 0.00 -0.13 0.03 0.21 -0.55 0.00 0.00 175.29 174.85 2jqj s LYS 47 N 0.97 3.79 0.09 1.67 2.20 -1.26 0.41 119.74 127.61 2jqj s LYS 47 Ca -0.10 -0.44 0.09 0.00 -0.36 0.00 0.00 55.97 55.16 2jqj s LYS 47 Cb -0.13 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2jqj s LYS 47 CO -0.02 0.14 -0.21 0.08 -0.36 0.00 0.00 175.35 174.98 2jqj s VAL 48 N 0.70 2.62 -0.11 4.02 1.01 0.15 -4.93 120.40 123.85 2jqj s VAL 48 Ca 0.01 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.44 2jqj s VAL 48 Cb -0.14 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2jqj s VAL 48 CO 0.02 0.21 0.25 -1.61 0.00 0.00 0.00 175.10 173.97 2jqj s GLU 49 N -1.79 3.89 -0.11 2.72 2.02 -1.26 0.86 118.70 125.04 2jqj s GLU 49 Ca 0.15 0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.21 2jqj s GLU 49 Cb -0.10 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.81 2jqj s GLU 49 CO 0.07 0.53 -0.15 -1.50 0.02 0.00 0.00 175.26 174.23 2jqj s ILE 50 N -0.41 2.86 0.39 -1.63 2.07 -0.33 -4.91 121.20 119.24 2jqj s ILE 50 Ca 0.17 -0.75 0.08 0.00 -1.41 0.00 0.00 60.65 58.74 2jqj s ILE 50 Cb -0.13 -2.16 -0.02 0.00 0.13 0.00 0.00 42.46 40.27 2jqj s ILE 50 CO 0.05 0.54 0.36 0.42 -1.91 0.00 0.00 174.94 174.40 2jqj s THR 51 N 0.12 2.94 -1.38 4.00 -4.23 -1.26 -2.63 115.64 113.19 2jqj s THR 51 Ca -0.07 -1.34 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 2jqj s THR 51 Cb -0.15 -3.05 0.10 0.00 1.34 0.00 0.00 72.50 70.73 2jqj s THR 51 CO 0.05 -0.05 2.11 -0.46 -0.54 0.00 0.00 174.62 175.73 2jqj n ASN 52 N -1.50 4.94 -0.45 3.99 0.23 -1.19 -4.64 115.26 116.65 2jqj n ASN 52 Ca 0.02 -2.97 0.10 0.00 -0.53 0.00 0.00 54.58 51.20 2jqj n ASN 52 Cb 0.61 -1.55 0.40 0.00 -2.08 0.00 0.00 39.78 37.16 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 4.64 1.59 0.00 -3.83 0.63 -1.26 -4.89 116.66 113.53 2jqj n ARG 53 Ca 0.48 -0.88 0.00 0.00 -0.92 0.00 0.00 57.85 56.53 2jqj n ARG 53 Cb 0.36 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.90 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 0.11 0.00 -3.88 6.15 4.13 -0.87 -4.76 115.26 116.13 2jqj n ASN 54 Ca 0.15 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.26 2jqj n ASN 54 Cb 0.28 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.36 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 0.00 0.26 -0.10 2.41 1.01 -1.26 -2.20 120.40 120.52 2jqj s VAL 55 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.95 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 0.11 -0.16 -0.89 0.00 0.00 0.00 175.10 174.17 2jqj s THR 56 N 0.42 1.51 -0.17 3.92 2.01 0.54 -4.89 115.64 118.98 2jqj s THR 56 Ca -0.04 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 2jqj s THR 56 Cb -0.07 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 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 0.87 4.79 -0.19 -0.82 -4.23 -1.26 0.53 115.64 115.33 2jqj s THR 57 Ca -0.09 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2jqj s THR 57 Cb -0.15 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.56 2jqj s THR 57 CO 0.00 0.48 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.74 2jqj s ILE 58 N 0.22 2.11 0.00 2.99 1.09 -0.78 0.64 121.20 127.47 2jqj s ILE 58 Ca 0.04 -1.00 0.00 0.00 -1.10 0.00 0.00 60.65 58.59 2jqj s ILE 58 Cb -0.12 -1.93 0.00 0.00 -1.06 0.00 0.00 42.46 39.35 2jqj s ILE 58 CO 0.00 0.47 0.00 0.61 -0.10 0.00 0.00 174.94 175.93 2jqj n GLY 59 N 4.60 -0.77 0.10 6.18 0.00 -1.00 -3.09 105.19 111.21 2jqj n GLY 59 Ca -0.20 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.60 1.61 0.63 -1.22 -2.92 116.66 113.83 2jqj n ARG 60 Ca 0.00 0.10 -0.56 0.00 -0.92 0.00 0.00 57.85 56.47 2jqj n ARG 60 Cb 0.00 -1.43 -0.07 0.00 0.45 0.00 0.00 32.46 31.41 2jqj n ARG 60 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jqj n SER 61 N -3.04 1.39 0.25 6.15 7.64 -1.26 -4.82 113.62 119.92 2jqj n SER 61 Ca -0.36 1.12 0.08 0.00 1.01 0.00 0.00 58.87 60.72 2jqj n SER 61 Cb 0.94 -1.10 0.62 0.00 -1.01 0.00 0.00 64.21 63.66 2jqj n SER 61 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2jqj h ARG 62 N 4.73 0.00 0.00 1.43 2.43 -1.97 -0.78 114.38 120.22 2jqj h ARG 62 Ca -0.48 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 2jqj h ARG 62 Cb 1.36 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 2jqj h ARG 62 CO 0.80 0.08 -0.18 0.66 -1.51 0.00 0.00 179.97 179.82 2jqj h SER 63 N 0.00 0.00 -3.49 -3.80 4.64 -2.00 -3.45 113.55 105.45 2jqj h SER 63 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2jqj h SER 63 Cb 0.15 0.00 0.20 0.00 -0.31 0.00 0.00 62.40 62.45 2jqj h SER 63 CO 0.01 0.18 -0.40 0.00 -0.87 0.00 0.00 176.83 175.75 2jqj h ASP 65 N -1.24 0.23 -3.71 0.00 1.82 -0.53 -3.45 116.42 109.53 2jqj h ASP 65 Ca -0.44 -0.69 -0.58 0.00 -0.39 0.00 0.00 57.03 54.92 2jqj h ASP 65 Cb 1.30 -0.07 -0.32 0.00 0.68 0.00 0.00 39.33 40.92 2jqj h ASP 65 CO 0.38 0.88 -0.84 -0.69 -1.61 0.00 0.00 179.24 177.36 2jqj s VAL 66 N -3.45 1.52 -0.29 2.25 1.01 0.21 -4.89 120.40 116.75 2jqj s VAL 66 Ca -0.16 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2jqj s VAL 66 Cb 0.02 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2jqj s VAL 66 CO 0.74 0.44 0.20 0.27 0.00 0.00 0.00 175.10 176.74 2jqj s ILE 67 N 0.21 5.27 0.00 2.22 -4.36 -1.26 -2.38 121.20 120.89 2jqj s ILE 67 Ca -0.09 0.07 0.00 0.00 -0.26 0.00 0.00 60.65 60.37 2jqj s ILE 67 Cb -0.14 -3.55 0.00 0.00 1.25 0.00 0.00 42.46 40.02 2jqj s ILE 67 CO 0.04 0.19 0.00 0.18 0.24 0.00 0.00 174.94 175.59 2jqj n LEU 68 N 5.07 0.76 0.00 0.37 4.32 -1.15 -4.95 117.00 121.41 2jqj n LEU 68 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 2jqj n LEU 68 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 2jqj n LEU 68 CO 0.34 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.31 2jqj n SER 69 N -0.25 0.00 0.00 -1.43 7.64 -1.26 -5.10 113.62 113.23 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 -0.62 -3.01 0.00 0.00 175.04 171.41 2jqj n GLU 70 N 0.00 0.00 0.29 1.43 1.02 -1.26 -4.90 120.64 117.22 2jqj n GLU 70 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 2jqj n GLU 70 Cb 0.00 0.00 0.87 0.00 -0.02 0.00 0.00 31.44 32.29 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2jqj h PRO 71 N 0.00 0.00 0.00 3.49 0.11 -2.00 -3.13 132.00 130.48 2jqj h PRO 71 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2jqj h PRO 71 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2jqj h PRO 71 CO 0.00 0.05 -0.52 -0.25 -0.21 0.00 0.00 178.00 177.07 2jqj n ASP 72 N -3.34 0.58 -4.47 -2.05 8.00 -1.26 -5.05 116.55 108.96 2jqj n ASP 72 Ca -0.02 -2.23 -0.36 0.00 0.71 0.00 0.00 54.79 52.89 2jqj n ASP 72 Cb 0.20 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 40.92 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 -0.54 4.40 0.21 0.53 1.10 -1.18 -4.97 121.20 120.74 2jqj s ILE 73 Ca 0.12 -0.15 -0.31 0.00 -0.51 0.00 0.00 60.65 59.81 2jqj s ILE 73 Cb 0.12 -3.05 -0.10 0.00 0.15 0.00 0.00 42.46 39.58 2jqj s ILE 73 CO -0.03 0.35 1.48 -0.44 -2.11 0.00 0.00 174.94 174.19 2jqj s SER 74 N 1.47 6.64 0.38 4.50 0.01 -1.26 -3.79 113.70 121.64 2jqj s SER 74 Ca 0.06 2.63 0.06 0.00 1.31 0.00 0.00 55.95 60.01 2jqj s SER 74 Cb -0.15 -2.61 0.78 0.00 0.21 0.00 0.00 66.02 64.25 2jqj s SER 74 CO 0.04 -0.74 2.00 0.74 0.41 0.00 0.00 173.24 175.69 2jqj h THR 75 N 3.74 1.07 -0.27 1.44 2.02 -1.91 -1.89 112.91 117.10 2jqj h THR 75 Ca -0.45 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2jqj h THR 75 Cb 1.21 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2jqj h THR 75 CO 0.83 0.12 0.00 0.49 0.37 0.00 0.00 175.52 177.33 2jqj n PHE 76 N -4.47 0.58 -0.01 3.16 3.72 -1.26 -4.42 117.46 114.76 2jqj n PHE 76 Ca 0.07 -0.66 -0.00 0.00 -0.05 0.00 0.00 57.45 56.81 2jqj n PHE 76 Cb 0.15 -0.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2jqj n PHE 76 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jqj n HIS 77 N -0.03 -0.01 -3.87 1.38 -0.00 -0.71 -4.44 115.22 107.53 2jqj n HIS 77 Ca 0.14 0.03 -0.09 0.00 -0.00 0.00 0.00 57.72 57.80 2jqj n HIS 77 Cb 0.59 -0.16 -0.06 0.00 -0.00 0.00 0.00 29.99 30.37 2jqj n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jqj s ALA 78 N -3.41 -0.31 -0.02 1.57 0.00 -1.18 -0.66 121.76 117.75 2jqj s ALA 78 Ca -0.00 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.36 2jqj s ALA 78 Cb 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 2jqj s ALA 78 CO 0.01 -0.66 -0.14 -1.21 0.00 0.00 0.00 175.76 173.76 2jqj s GLU 79 N -3.92 1.26 -0.13 0.00 2.02 -0.95 -1.87 118.70 115.11 2jqj s GLU 79 Ca 0.12 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.65 2jqj s GLU 79 Cb 0.02 -1.17 0.01 0.00 0.10 0.00 0.00 34.13 33.09 2jqj s GLU 79 CO -0.03 0.25 -0.22 -0.06 0.02 0.00 0.00 175.26 175.22 2jqj s PHE 80 N -0.13 2.66 -0.33 1.61 0.40 0.19 -1.13 117.98 121.25 2jqj s PHE 80 Ca 0.01 -1.26 -0.17 0.00 -0.60 0.00 0.00 56.93 54.92 2jqj s PHE 80 Cb -0.08 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 2jqj s PHE 80 CO 0.00 -0.56 0.45 -1.01 0.70 0.00 0.00 175.22 174.80 2jqj s HIS 81 N 0.73 3.20 -0.37 0.36 3.76 -0.28 0.20 115.29 122.90 2jqj s HIS 81 Ca -0.09 0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.92 2jqj s HIS 81 Cb -0.16 -2.79 0.04 0.00 1.11 0.00 0.00 32.58 30.78 2jqj s HIS 81 CO 0.00 -0.44 0.17 -1.17 -0.85 0.00 0.00 174.74 172.45 2jqj s LEU 82 N 2.23 4.62 -0.01 0.89 2.96 -0.93 -1.96 118.68 126.47 2jqj s LEU 82 Ca 0.16 -1.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.04 2jqj s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2jqj s LEU 82 CO 0.12 -0.38 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.32 2jqj s LEU 83 N 1.48 2.05 -0.15 -0.68 2.96 -1.16 -2.05 118.68 121.12 2jqj s LEU 83 Ca 0.01 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2jqj s LEU 83 Cb -0.20 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.34 2jqj s LEU 83 CO 0.05 0.28 -0.17 0.00 -1.32 0.00 0.00 176.35 175.19 2jqj s GLN 84 N -0.56 2.56 -0.15 1.98 -2.07 -1.26 -3.05 119.66 117.10 2jqj s GLN 84 Ca 0.09 -0.67 -0.00 0.00 -1.82 0.00 0.00 55.36 52.96 2jqj s GLN 84 Cb -0.09 -2.25 -0.01 0.00 -1.09 0.00 0.00 33.01 29.57 2jqj s GLN 84 CO -0.01 -0.19 -0.14 -1.64 -1.32 0.00 0.00 175.29 171.99 2jqj s MET 85 N 1.32 3.27 -0.27 9.60 -1.94 -1.17 -5.04 119.30 125.08 2jqj s MET 85 Ca 0.03 -0.72 -0.07 0.00 -1.71 0.00 0.00 55.69 53.21 2jqj s MET 85 Cb -0.13 -2.64 -0.01 0.00 2.01 0.00 0.00 34.83 34.05 2jqj s MET 85 CO -0.10 0.07 0.08 0.16 -0.01 0.00 0.00 175.02 175.22 2jqj s ASP 86 N 0.70 5.13 -0.07 3.03 1.47 -1.26 -2.13 116.67 123.54 2jqj s ASP 86 Ca -0.07 -0.44 0.00 0.00 1.18 0.00 0.00 52.55 53.22 2jqj s ASP 86 Cb -0.15 -1.91 0.02 0.00 -0.34 0.00 0.00 42.92 40.54 2jqj s ASP 86 CO 0.02 -0.11 -0.04 -0.69 0.68 0.00 0.00 175.17 175.02 2jqj s VAL 87 N 1.56 0.61 0.00 2.11 1.01 -1.26 -4.91 120.40 119.52 2jqj s VAL 87 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2jqj s VAL 87 Cb -0.16 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2jqj s VAL 87 CO 0.03 0.27 0.00 -0.67 0.00 0.00 0.00 175.10 174.73 2jqj n ASP 88 N 4.52 0.00 0.00 3.32 -0.08 -1.26 -3.05 116.55 120.00 2jqj n ASP 88 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 2jqj n ASP 88 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2jqj n ASP 88 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2jqj n ASN 89 N 2.12 0.00 -4.45 1.67 2.85 -1.26 -5.08 115.26 111.11 2jqj n ASN 89 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 2jqj n ASN 89 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 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 -0.97 2.77 0.29 1.20 0.08 -1.17 -5.03 117.98 115.15 2jqj s PHE 90 Ca 0.00 -0.54 -0.22 0.00 0.12 0.00 0.00 56.93 56.29 2jqj s PHE 90 Cb 0.00 -4.15 -0.09 0.00 -0.57 0.00 0.00 43.02 38.21 2jqj s PHE 90 CO 0.00 -1.50 0.83 1.14 -0.10 0.00 0.00 175.22 175.60 2jqj s GLN 91 N 3.70 4.36 -0.04 0.44 -2.07 -1.26 -4.32 119.66 120.47 2jqj s GLN 91 Ca 0.21 1.06 0.03 0.00 -1.82 0.00 0.00 55.36 54.84 2jqj s GLN 91 Cb -0.18 -2.74 -0.03 0.00 -1.09 0.00 0.00 33.01 28.97 2jqj s GLN 91 CO 0.11 0.29 -0.12 0.50 -1.32 0.00 0.00 175.29 174.75 2jqj s ARG 92 N -2.21 2.52 -0.16 9.60 3.52 -0.91 -4.98 118.95 126.33 2jqj s ARG 92 Ca 0.49 -0.70 -0.05 0.00 -0.13 0.00 0.00 55.73 55.34 2jqj s ARG 92 Cb -0.16 -2.42 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 2jqj s ARG 92 CO 0.21 0.62 -0.01 -0.80 -0.81 0.00 0.00 175.30 174.52 2jqj s ASN 93 N -0.92 5.06 -0.05 -2.12 0.02 -1.26 -3.03 114.94 112.65 2jqj s ASN 93 Ca 0.13 -0.06 0.04 0.00 -1.02 0.00 0.00 52.86 51.94 2jqj s ASN 93 Cb -0.11 -1.84 0.00 0.00 0.02 0.00 0.00 41.25 39.32 2jqj s ASN 93 CO 0.02 0.17 -0.16 -0.76 0.02 0.00 0.00 177.10 176.39 2jqj s LEU 94 N 0.36 1.86 -0.02 0.60 1.02 -1.17 -4.93 118.68 116.40 2jqj s LEU 94 Ca -0.02 -0.34 0.06 0.00 0.02 0.00 0.00 54.13 53.85 2jqj s LEU 94 Cb -0.14 -0.93 -0.02 0.00 0.02 0.00 0.00 46.19 45.12 2jqj s LEU 94 CO 0.02 0.12 -0.21 -0.63 0.02 0.00 0.00 176.35 175.67 2jqj s ILE 95 N 0.20 2.50 -0.14 -0.59 1.09 -1.13 -3.01 121.20 120.11 2jqj s ILE 95 Ca -0.07 -0.99 0.01 0.00 -1.10 0.00 0.00 60.65 58.50 2jqj s ILE 95 Cb -0.13 -1.94 0.00 0.00 -1.06 0.00 0.00 42.46 39.34 2jqj s ILE 95 CO 0.03 0.55 -0.18 0.21 -0.10 0.00 0.00 174.94 175.44 2jqj s ASN 96 N -0.78 3.44 -0.15 3.58 3.04 -0.83 -0.05 114.94 123.19 2jqj s ASN 96 Ca 0.11 -0.52 -0.13 0.00 0.04 0.00 0.00 52.86 52.36 2jqj s ASN 96 Cb -0.10 -1.51 -0.05 0.00 -1.54 0.00 0.00 41.25 38.05 2jqj s ASN 96 CO 0.00 0.09 0.29 -0.69 -3.04 0.00 0.00 177.10 173.75 2jqj s VAL 97 N 0.76 5.30 -0.15 -5.21 1.01 0.18 -1.12 120.40 121.16 2jqj s VAL 97 Ca -0.07 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.45 2jqj s VAL 97 Cb -0.16 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2jqj s VAL 97 CO 0.00 0.42 -0.16 -0.63 0.00 0.00 0.00 175.10 174.73 2jqj s ILE 98 N 0.25 1.73 -0.29 2.22 1.01 -0.29 -2.87 121.20 122.97 2jqj s ILE 98 Ca 0.17 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 59.85 2jqj s ILE 98 Cb -0.13 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 2jqj s ILE 98 CO 0.04 0.49 0.74 -0.62 0.00 0.00 0.00 174.94 175.59 2jqj s ASP 99 N 1.33 6.64 -0.00 3.58 2.15 -1.26 -2.23 116.67 126.87 2jqj s ASP 99 Ca 0.03 0.67 0.25 0.00 0.43 0.00 0.00 52.55 53.92 2jqj s ASP 99 Cb -0.13 -2.39 0.41 0.00 -0.30 0.00 0.00 42.92 40.51 2jqj s ASP 99 CO -0.10 -0.55 1.16 0.29 -0.17 0.00 0.00 175.17 175.81 2jqj n LYS 100 N 6.06 0.01 -2.82 4.34 5.02 -0.70 -5.02 118.16 125.06 2jqj n LYS 100 Ca 0.03 -1.96 -0.21 0.00 -2.02 0.00 0.00 58.31 54.14 2jqj n LYS 100 Cb 0.48 0.02 0.08 0.00 -0.02 0.00 0.00 35.03 35.59 2jqj n LYS 100 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jqj s SER 101 N -1.96 4.76 0.00 4.39 0.01 0.17 -4.24 113.70 116.83 2jqj s SER 101 Ca 0.32 -0.59 0.24 0.00 1.31 0.00 0.00 55.95 57.23 2jqj s SER 101 Cb 0.37 0.09 0.39 0.00 0.21 0.00 0.00 66.02 67.09 2jqj s SER 101 CO -0.16 -1.57 1.15 0.54 0.41 0.00 0.00 173.24 173.62 2jqj n ARG 102 N -2.51 0.00 0.00 12.44 1.74 -1.26 -4.88 116.66 122.19 2jqj n ARG 102 Ca 0.15 -1.91 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 2jqj n ARG 102 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 2jqj n ARG 102 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2jqj n ASN 103 N 0.46 0.50 0.00 0.55 6.94 -1.26 -5.13 115.26 117.31 2jqj n ASN 103 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 2jqj n ASN 103 Cb 1.11 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.53 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 1.92 2.37 2.88 4.83 0.00 -1.26 -5.04 105.19 110.89 2jqj n GLY 104 Ca 0.00 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 2jqj n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqj s THR 105 N 0.00 0.76 -0.03 2.61 2.01 -1.26 -1.16 115.64 118.58 2jqj s THR 105 Ca 0.00 -0.16 0.07 0.00 0.31 0.00 0.00 61.69 61.91 2jqj s THR 105 Cb 0.00 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 2jqj s THR 105 CO 0.00 0.31 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.64 2jqj s PHE 106 N 1.54 2.21 -0.04 4.92 0.08 -0.47 -4.30 117.98 121.92 2jqj s PHE 106 Ca 0.00 -0.47 0.06 0.00 0.12 0.00 0.00 56.93 56.64 2jqj s PHE 106 Cb -0.13 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.88 2jqj s PHE 106 CO -0.05 -0.07 -0.22 -1.50 -0.10 0.00 0.00 175.22 173.28 2jqj s ILE 107 N -0.48 1.76 -1.75 0.64 1.10 0.04 -1.23 121.20 121.28 2jqj s ILE 107 Ca 0.07 -0.93 -0.00 0.00 -0.51 0.00 0.00 60.65 59.28 2jqj s ILE 107 Cb -0.10 -1.49 0.00 0.00 0.15 0.00 0.00 42.46 41.02 2jqj s ILE 107 CO -0.00 0.50 0.00 0.59 -2.11 0.00 0.00 174.94 173.92 2jqj n ASN 108 N 2.82 -5.83 -0.18 4.50 5.03 -0.37 -1.04 115.26 120.19 2jqj n ASN 108 Ca -0.17 -0.02 -0.02 0.00 0.87 0.00 0.00 54.58 55.24 2jqj n ASN 108 Cb 0.52 -4.85 -0.01 0.00 -1.02 0.00 0.00 39.78 34.43 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 -1.02 0.50 3.12 7.41 0.00 -1.26 -4.99 105.19 108.94 2jqj n GLY 109 Ca -0.24 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.24 1.19 0.34 1.61 0.01 -0.21 -5.13 114.94 110.52 2jqj s ASN 110 Ca 0.00 -0.66 -0.27 0.00 -0.71 0.00 0.00 52.86 51.22 2jqj s ASN 110 Cb 0.00 0.02 -0.09 0.00 0.41 0.00 0.00 41.25 41.58 2jqj s ASN 110 CO 0.00 -0.21 1.07 -0.60 -1.51 0.00 0.00 177.10 175.85 2jqj s ARG 111 N -2.07 4.39 0.08 -0.60 3.52 -1.26 -0.78 118.95 122.23 2jqj s ARG 111 Ca -0.03 1.65 -0.30 0.00 -0.13 0.00 0.00 55.73 56.92 2jqj s ARG 111 Cb -0.07 -2.86 -0.06 0.00 -1.56 0.00 0.00 34.95 30.40 2jqj s ARG 111 CO 0.00 0.03 1.17 -0.51 -0.81 0.00 0.00 175.30 175.18 2jqj s LEU 112 N -2.06 4.40 -0.06 -0.88 1.02 -1.26 -4.89 118.68 114.93 2jqj s LEU 112 Ca 0.51 2.02 0.02 0.00 0.02 0.00 0.00 54.13 56.70 2jqj s LEU 112 Cb -0.27 -3.58 -0.05 0.00 0.02 0.00 0.00 46.19 42.31 2jqj s LEU 112 CO 0.34 -0.41 -0.04 0.55 0.02 0.00 0.00 176.35 176.82 2jqj n VAL 113 N 3.56 0.39 -4.30 -1.59 3.14 -1.26 -5.04 118.33 113.23 2jqj n VAL 113 Ca 0.07 -0.17 -0.30 0.00 -2.96 0.00 0.00 64.34 60.99 2jqj n VAL 113 Cb 0.47 -0.78 -0.11 0.00 -1.06 0.00 0.00 33.84 32.36 2jqj n VAL 113 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2jqj s LYS 114 N -2.13 1.88 0.73 1.45 2.20 -1.26 -5.13 119.74 117.47 2jqj s LYS 114 Ca -0.07 -1.13 -0.11 0.00 -0.36 0.00 0.00 55.97 54.29 2jqj s LYS 114 Cb 0.02 -2.17 0.03 0.00 -1.51 0.00 0.00 37.83 34.21 2jqj s LYS 114 CO 0.18 0.49 1.11 -1.59 -0.36 0.00 0.00 175.35 175.18 2jqj s LYS 115 N -2.13 2.63 -0.79 4.03 0.00 -1.26 -4.51 119.74 117.71 2jqj s LYS 115 Ca 0.19 0.35 -0.03 0.00 0.00 0.00 0.00 55.97 56.48 2jqj s LYS 115 Cb -0.11 -2.02 -0.03 0.00 0.00 0.00 0.00 37.83 35.68 2jqj s LYS 115 CO 0.11 -1.16 0.71 -3.47 0.00 0.00 0.00 175.35 171.54 2jqj n ASP 116 N -3.07 -6.56 -4.77 0.03 2.03 -1.26 -4.98 116.55 97.97 2jqj n ASP 116 Ca 0.07 -0.36 -0.40 0.00 0.52 0.00 0.00 54.79 54.63 2jqj n ASP 116 Cb 0.58 -4.71 -0.06 0.00 -0.72 0.00 0.00 41.12 36.22 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 -3.18 3.87 -0.27 -0.67 5.04 -1.14 -4.93 117.35 116.06 2jqj s TYR 117 Ca 0.21 1.61 -0.12 0.00 -2.44 0.00 0.00 57.07 56.33 2jqj s TYR 117 Cb -0.03 -2.79 -0.05 0.00 0.35 0.00 0.00 41.96 39.44 2jqj s TYR 117 CO 0.65 0.45 0.24 -1.50 -1.34 0.00 0.00 175.55 174.05 2jqj s ILE 118 N -0.84 5.27 -0.11 3.14 1.10 -1.26 -0.65 121.20 127.85 2jqj s ILE 118 Ca 0.37 0.29 -0.05 0.00 -0.51 0.00 0.00 60.65 60.75 2jqj s ILE 118 Cb -0.23 -3.58 -0.04 0.00 0.15 0.00 0.00 42.46 38.77 2jqj s ILE 118 CO 0.26 0.23 0.08 -0.22 -2.11 0.00 0.00 174.94 173.17 2jqj s LEU 119 N 1.81 4.02 0.41 8.50 0.20 0.92 -4.96 118.68 129.58 2jqj s LEU 119 Ca 0.09 0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.26 2jqj s LEU 119 Cb -0.16 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2jqj s LEU 119 CO 0.10 0.38 0.13 -0.54 -0.29 0.00 0.00 176.35 176.13 2jqj s LYS 120 N -0.84 1.94 0.54 1.98 -0.14 -1.26 -2.86 119.74 119.11 2jqj s LYS 120 Ca 0.13 -2.19 -0.20 0.00 -1.36 0.00 0.00 55.97 52.35 2jqj s LYS 120 Cb -0.12 -0.62 -0.07 0.00 -1.68 0.00 0.00 37.83 35.34 2jqj s LYS 120 CO 0.03 -0.48 0.90 0.27 -0.76 0.00 0.00 175.35 175.31 2jqj n ASN 121 N -1.33 0.60 -2.70 2.83 6.94 -1.26 -2.70 115.26 117.64 2jqj n ASN 121 Ca -0.06 0.86 -0.19 0.00 -0.02 0.00 0.00 54.58 55.17 2jqj n ASN 121 Cb 0.65 -1.34 0.05 0.00 -2.36 0.00 0.00 39.78 36.77 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jqj n GLY 122 N 1.34 -0.26 3.45 4.83 0.00 -0.86 -5.00 105.19 108.69 2jqj n GLY 122 Ca 0.12 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.00 4.66 -0.10 1.61 1.11 -1.10 -4.97 116.67 114.88 2jqj s ASP 123 Ca 0.35 -0.19 -0.16 0.00 0.18 0.00 0.00 52.55 52.73 2jqj s ASP 123 Cb -0.16 -1.77 -0.05 0.00 1.07 0.00 0.00 42.92 42.02 2jqj s ASP 123 CO 0.44 0.13 0.40 -0.13 1.18 0.00 0.00 175.17 177.18 2jqj s ARG 124 N 0.60 4.20 -0.17 8.23 0.52 -1.26 -1.14 118.95 129.93 2jqj s ARG 124 Ca -0.03 0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.52 2jqj s ARG 124 Cb -0.14 -3.38 0.01 0.00 0.52 0.00 0.00 34.95 31.96 2jqj s ARG 124 CO 0.03 0.32 -0.18 0.96 0.02 0.00 0.00 175.30 176.45 2jqj s ILE 125 N 0.13 2.32 -0.19 1.52 -0.00 0.23 -1.23 121.20 123.97 2jqj s ILE 125 Ca 0.22 -0.87 -0.02 0.00 -0.00 0.00 0.00 60.65 59.98 2jqj s ILE 125 Cb -0.15 -1.98 -0.01 0.00 -0.00 0.00 0.00 42.46 40.32 2jqj s ILE 125 CO 0.09 0.52 -0.08 -0.69 -0.00 0.00 0.00 174.94 174.79 2jqj s VAL 126 N 1.13 3.26 0.10 8.37 1.01 -0.36 -0.57 120.40 133.34 2jqj s VAL 126 Ca 0.01 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.54 2jqj s VAL 126 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2jqj s VAL 126 CO -0.07 0.47 -0.26 -0.36 0.00 0.00 0.00 175.10 174.87 2jqj s PHE 127 N 1.03 2.27 0.00 5.22 0.08 0.14 -1.37 117.98 125.36 2jqj s PHE 127 Ca -0.00 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.66 2jqj s PHE 127 Cb -0.15 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 2jqj s PHE 127 CO -0.01 0.26 0.00 0.41 -0.10 0.00 0.00 175.22 175.78 2jqj n GLY 128 N 1.22 1.25 0.00 4.36 0.00 -0.31 -2.80 105.19 108.91 2jqj n GLY 128 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.10 1.61 4.81 -1.26 -4.41 118.16 118.81 2jqj n LYS 129 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 2jqj n LYS 129 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 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 1.04 -4.53 3.14 7.64 -1.25 -4.91 113.62 114.74 2jqj n SER 130 Ca 0.00 -0.04 -0.42 0.00 1.01 0.00 0.00 58.87 59.42 2jqj n SER 130 Cb 0.00 0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 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 9.57 2.42 0.04 0.00 1.04 -1.26 0.28 113.70 125.79 2jqj s SER 132 Ca 1.06 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 57.06 2jqj s SER 132 Cb -0.50 -0.55 -0.02 0.00 0.10 0.00 0.00 66.02 65.05 2jqj s SER 132 CO 0.37 0.20 0.04 -0.36 0.98 0.00 0.00 173.24 174.47 2jqj s PHE 133 N -0.16 0.31 -0.20 5.02 0.40 0.27 -1.41 117.98 122.20 2jqj s PHE 133 Ca -0.00 -0.70 0.01 0.00 -0.60 0.00 0.00 56.93 55.65 2jqj s PHE 133 Cb -0.11 -0.22 0.04 0.00 0.51 0.00 0.00 43.02 43.24 2jqj s PHE 133 CO 0.02 -0.36 -0.15 -1.17 0.70 0.00 0.00 175.22 174.26 2jqj s LEU 134 N -2.34 2.44 0.00 -0.37 0.20 0.40 0.74 118.68 119.75 2jqj s LEU 134 Ca -0.02 -0.88 -0.12 0.00 0.69 0.00 0.00 54.13 53.80 2jqj s LEU 134 Cb 0.01 -1.40 -0.05 0.00 -0.43 0.00 0.00 46.19 44.32 2jqj s LEU 134 CO -0.06 -0.09 0.36 0.12 -0.29 0.00 0.00 176.35 176.39 2jqj s PHE 135 N 1.29 3.67 0.14 5.38 2.19 -0.29 -1.44 117.98 128.91 2jqj s PHE 135 Ca -0.00 0.85 -0.17 0.00 0.33 0.00 0.00 56.93 57.94 2jqj s PHE 135 Cb -0.16 -2.19 0.04 0.00 -1.31 0.00 0.00 43.02 39.40 2jqj s PHE 135 CO -0.10 0.63 0.44 0.21 1.83 0.00 0.00 175.22 178.23 2jqj s LYS 136 N -1.32 1.12 0.13 10.12 2.20 -1.14 -2.03 119.74 128.82 2jqj s LYS 136 Ca 0.25 -0.69 -0.23 0.00 -0.36 0.00 0.00 55.97 54.94 2jqj s LYS 136 Cb -0.15 0.49 -0.07 0.00 -1.51 0.00 0.00 37.83 36.58 2jqj s LYS 136 CO 0.13 -0.45 0.70 0.71 -0.36 0.00 0.00 175.35 176.08 2jqj s TYR 137 N -3.80 3.87 0.51 4.03 2.02 -1.26 -2.17 117.35 120.55 2jqj s TYR 137 Ca 0.03 1.50 0.04 0.00 -0.37 0.00 0.00 57.07 58.27 2jqj s TYR 137 Cb 0.01 -2.66 0.03 0.00 -0.40 0.00 0.00 41.96 38.94 2jqj s TYR 137 CO -0.11 0.54 0.71 0.00 -1.57 0.00 0.00 175.55 175.12 2jqj s ALA 138 N -1.13 4.13 0.21 3.71 0.00 -0.54 -4.87 121.76 123.26 2jqj s ALA 138 Ca 0.33 -1.48 0.07 0.00 0.00 0.00 0.00 51.96 50.88 2jqj s ALA 138 Cb -0.22 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 2jqj s ALA 138 CO 0.23 -0.62 0.06 -1.12 0.00 0.00 0.00 175.76 174.32 2jqj s SER 139 N -4.42 5.01 -0.33 0.00 0.01 -1.26 -4.84 113.70 107.86 2jqj s SER 139 Ca 0.57 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 57.53 2jqj s SER 139 Cb -0.10 -1.13 0.52 0.00 0.21 0.00 0.00 66.02 65.51 2jqj s SER 139 CO 0.37 0.04 1.52 -1.54 0.41 0.00 0.00 173.24 174.04 2jqj n SER 140 N -0.55 3.13 -2.01 2.44 3.41 -1.26 -5.01 113.62 113.77 2jqj n SER 140 Ca -0.08 -3.78 -0.00 0.00 -0.26 0.00 0.00 58.87 54.75 2jqj n SER 140 Cb 0.56 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2jqj n SER 140 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jqj n SER 141 N -1.08 0.01 -4.75 4.04 2.88 -1.26 -5.08 113.62 108.38 2jqj n SER 141 Ca 0.39 -1.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.52 2jqj n SER 141 Cb 1.07 -0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.47 2jqj n SER 141 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jqj s SER 142 N -1.01 7.59 -0.08 -3.46 0.01 -1.26 -4.96 113.70 110.53 2jqj s SER 142 Ca 0.00 1.88 0.03 0.00 1.31 0.00 0.00 55.95 59.17 2jqj s SER 142 Cb -0.00 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.57 2jqj s SER 142 CO 0.00 0.11 -0.04 0.35 0.41 0.00 0.00 173.24 174.07 2jqj n THR 143 N 1.82 0.49 -1.39 1.44 -2.24 -1.26 -5.13 114.28 108.01 2jqj n THR 143 Ca -0.01 -0.23 0.18 0.00 -2.27 0.00 0.00 64.05 61.72 2jqj n THR 143 Cb 0.48 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 67.84 2jqj n THR 143 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jqj n ASP 144 N -2.58 -8.34 -1.51 3.42 8.00 -1.26 -4.46 116.55 109.81 2jqj n ASP 144 Ca -0.14 0.83 -0.03 0.00 0.71 0.00 0.00 54.79 56.16 2jqj n ASP 144 Cb 0.68 -4.40 0.26 0.00 -0.02 0.00 0.00 41.12 37.64 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 -4.20 2.69 -3.62 0.53 2.08 -1.26 -4.90 119.36 110.67 2jqj n ILE 145 Ca -0.02 -2.01 -0.40 0.00 0.56 0.00 0.00 62.75 60.88 2jqj n ILE 145 Cb 0.64 -0.33 -0.11 0.00 -0.75 0.00 0.00 39.64 39.09 2jqj n ILE 145 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2jqj s GLU 146 N -3.04 2.80 -0.21 0.38 2.12 -1.26 -5.04 118.70 114.45 2jqj s GLU 146 Ca 0.49 -1.09 -0.04 0.00 0.36 0.00 0.00 54.97 54.69 2jqj s GLU 146 Cb 0.41 -3.68 0.07 0.00 0.26 0.00 0.00 34.13 31.19 2jqj s GLU 146 CO 0.09 -0.69 0.08 1.21 -0.54 0.00 0.00 175.26 175.41 2jqj s ASN 147 N 1.53 2.81 0.60 -1.70 3.84 -1.26 -5.14 114.94 115.62 2jqj s ASN 147 Ca 0.01 -0.85 -0.04 0.00 0.21 0.00 0.00 52.86 52.19 2jqj s ASN 147 Cb -0.19 -0.39 0.03 0.00 -0.55 0.00 0.00 41.25 40.15 2jqj s ASN 147 CO 0.06 -0.36 0.88 1.51 -2.79 0.00 0.00 177.10 176.40 2jqj s ASP 148 N 2.03 5.28 0.13 -4.21 1.47 -1.26 -5.04 116.67 115.07 2jqj s ASP 148 Ca 0.03 0.41 0.00 0.00 1.18 0.00 0.00 52.55 54.17 2jqj s ASP 148 Cb -0.16 -1.28 0.00 0.00 -0.34 0.00 0.00 42.92 41.13 2jqj s ASP 148 CO -0.15 -1.23 0.00 -0.67 0.68 0.00 0.00 175.17 173.80 2jqj n ASP 149 N -2.59 0.09 0.00 2.11 -0.08 -1.26 -5.07 116.55 109.76 2jqj n ASP 149 Ca 0.06 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 2jqj n ASP 149 Cb 0.59 0.12 0.00 0.00 2.34 0.00 0.00 41.12 44.17 2jqj n ASP 149 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2jqj n GLU 150 N -3.10 0.00 -2.10 -0.67 4.07 -1.26 -5.12 120.64 112.46 2jqj n GLU 150 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 2jqj n GLU 150 Cb 0.06 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.42 2jqj n GLU 150 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2jqj s LYS 151 N -1.18 4.27 -0.06 5.31 1.02 -1.26 -4.89 119.74 122.95 2jqj s LYS 151 Ca 0.00 2.14 0.01 0.00 0.02 0.00 0.00 55.97 58.15 2jqj s LYS 151 Cb 0.00 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2jqj s LYS 151 CO 0.00 -0.55 -0.04 1.55 -0.92 0.00 0.00 175.35 175.39 2jqj n VAL 152 N 4.26 0.34 -4.14 3.17 3.14 -1.26 -5.04 118.33 118.79 2jqj n VAL 152 Ca 0.13 -0.14 -0.30 0.00 -2.96 0.00 0.00 64.34 61.07 2jqj n VAL 152 Cb 0.42 -0.74 -0.08 0.00 -1.06 0.00 0.00 33.84 32.37 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 -4.40 4.92 -0.30 6.55 1.04 -1.26 -5.08 113.70 115.16 2jqj s SER 153 Ca -0.07 -0.22 -0.29 0.00 0.48 0.00 0.00 55.95 55.86 2jqj s SER 153 Cb 0.02 -1.13 0.01 0.00 0.10 0.00 0.00 66.02 65.02 2jqj s SER 153 CO 0.15 0.17 1.05 -0.44 0.98 0.00 0.00 173.24 175.15 2jqj s SER 154 N -2.32 6.94 -0.03 7.02 0.01 -1.26 -4.85 113.70 119.22 2jqj s SER 154 Ca 0.25 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2jqj s SER 154 Cb -0.12 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 2jqj s SER 154 CO 0.18 -0.82 -0.03 -0.62 0.41 0.00 0.00 173.24 172.36 2jqj n GLU 155 N 6.71 0.08 -0.92 12.44 -0.58 -1.26 -5.05 120.64 132.05 2jqj n GLU 155 Ca 0.11 0.02 -0.32 0.00 -0.42 0.00 0.00 57.16 56.55 2jqj n GLU 155 Cb 0.47 -1.02 0.15 0.00 -0.57 0.00 0.00 31.44 30.46 2jqj n GLU 155 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2jqj s SER 156 N -4.40 3.26 -1.23 1.62 0.01 -1.26 -4.90 113.70 106.80 2jqj s SER 156 Ca -0.04 2.31 -0.13 0.00 1.31 0.00 0.00 55.95 59.40 2jqj s SER 156 Cb 0.01 -2.58 0.17 0.00 0.21 0.00 0.00 66.02 63.83 2jqj s SER 156 CO 0.07 -2.89 1.53 -2.11 0.41 0.00 0.00 173.24 170.25 2jqj n ARG 157 N -3.71 3.41 -1.49 12.44 1.85 -1.26 -5.00 116.66 122.90 2jqj n ARG 157 Ca 0.13 -3.78 -0.30 0.00 -1.00 0.00 0.00 57.85 52.90 2jqj n ARG 157 Cb 0.51 -3.03 0.23 0.00 -1.05 0.00 0.00 32.46 29.12 2jqj n ARG 157 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2jqj s SER 158 N 2.47 1.74 0.00 2.89 1.04 -1.26 -5.32 113.70 115.25 2jqj s SER 158 Ca 0.42 0.37 0.29 0.00 0.48 0.00 0.00 55.95 57.51 2jqj s SER 158 Cb -0.00 -0.44 1.21 0.00 0.10 0.00 0.00 66.02 66.88 2jqj s SER 158 CO 0.00 -3.59 1.83 0.00 0.98 0.00 0.00 173.24 172.47