#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 3.08 -0.27 1.97 1.81 -1.26 -5.11 118.95 119.17 2jqj s ARG 20 Ca 0.00 -0.65 -0.07 0.00 -1.72 0.00 0.00 55.73 53.28 2jqj s ARG 20 Cb 0.00 -2.64 0.13 0.00 -0.45 0.00 0.00 34.95 31.98 2jqj s ARG 20 CO 0.00 -0.16 0.56 -1.14 -0.68 0.00 0.00 175.30 173.89 2jqj s GLN 21 N -4.43 0.50 0.11 3.54 -0.44 -1.26 -5.17 119.66 112.51 2jqj s GLN 21 Ca 0.47 1.23 -0.14 0.00 -2.50 0.00 0.00 55.36 54.42 2jqj s GLN 21 Cb -0.10 0.61 0.02 0.00 -1.64 0.00 0.00 33.01 31.90 2jqj s GLN 21 CO 0.36 -0.30 0.33 -1.14 0.50 0.00 0.00 175.29 175.04 2jqj s GLN 22 N 2.80 0.99 -0.09 1.67 0.74 -1.26 -5.06 119.66 119.44 2jqj s GLN 22 Ca 0.00 -0.78 0.07 0.00 0.05 0.00 0.00 55.36 54.70 2jqj s GLN 22 Cb -0.13 0.43 -0.11 0.00 1.10 0.00 0.00 33.01 34.31 2jqj s GLN 22 CO -0.17 -0.37 0.01 -2.13 -0.55 0.00 0.00 175.29 172.08 2jqj n ARG 23 N -0.15 2.10 -3.21 1.67 0.63 -1.26 -5.02 116.66 111.42 2jqj n ARG 23 Ca -0.16 0.01 -0.23 0.00 -0.92 0.00 0.00 57.85 56.55 2jqj n ARG 23 Cb 0.63 -1.23 -0.00 0.00 0.45 0.00 0.00 32.46 32.31 2jqj n ARG 23 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2jqj s SER 24 N -4.30 6.09 -1.12 6.15 1.04 -1.26 -4.53 113.70 115.76 2jqj s SER 24 Ca -0.07 0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.68 2jqj s SER 24 Cb 0.03 -1.78 -0.03 0.00 0.10 0.00 0.00 66.02 64.34 2jqj s SER 24 CO 0.35 -0.47 0.95 0.59 0.98 0.00 0.00 173.24 175.64 2jqj n ASN 25 N -1.90 -4.24 0.20 7.02 3.02 -1.26 -4.97 115.26 113.13 2jqj n ASN 25 Ca -0.02 -0.66 -0.09 0.00 -0.03 0.00 0.00 54.58 53.79 2jqj n ASN 25 Cb 0.57 -5.14 -0.04 0.00 -0.61 0.00 0.00 39.78 34.56 2jqj n ASN 25 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2jqj h LYS 26 N -1.49 -0.55 -7.22 3.52 3.64 -1.96 -3.46 116.57 109.05 2jqj h LYS 26 Ca -0.59 0.04 -0.52 0.00 -1.27 0.00 0.00 60.65 58.30 2jqj h LYS 26 Cb 1.32 0.12 0.14 0.00 -0.41 0.00 0.00 32.23 33.41 2jqj h LYS 26 CO 0.47 -0.37 0.35 -1.25 -2.27 0.00 0.00 179.45 176.38 2jqj s PRO 27 N -3.45 2.17 -1.03 1.90 0.04 -1.26 -4.92 135.00 128.45 2jqj s PRO 27 Ca -0.08 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.41 2jqj s PRO 27 Cb 0.01 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.76 2jqj s PRO 27 CO 0.25 -1.76 2.59 -1.13 0.04 0.00 0.00 177.00 176.99 2jqj n SER 28 N -3.02 7.52 -4.03 6.66 3.41 -1.26 -4.80 113.62 118.09 2jqj n SER 28 Ca 0.11 -3.10 -0.33 0.00 -0.26 0.00 0.00 58.87 55.29 2jqj n SER 28 Cb 0.52 -1.34 -0.10 0.00 -0.26 0.00 0.00 64.21 63.03 2jqj n SER 28 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jqj s SER 29 N 0.55 5.23 0.20 4.04 0.01 -1.26 -5.05 113.70 117.41 2jqj s SER 29 Ca 0.57 -3.37 0.04 0.00 1.31 0.00 0.00 55.95 54.49 2jqj s SER 29 Cb 0.25 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.68 2jqj s SER 29 CO -0.13 -0.23 0.13 -1.84 0.41 0.00 0.00 173.24 171.59 2jqj n GLU 30 N 2.73 0.41 0.00 12.44 0.00 -1.26 -5.14 120.64 129.82 2jqj n GLU 30 Ca 0.14 -1.87 0.00 0.00 0.00 0.00 0.00 57.16 55.43 2jqj n GLU 30 Cb 0.36 1.34 0.00 0.00 0.00 0.00 0.00 31.44 33.14 2jqj n GLU 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2jqj n TYR 31 N -0.41 0.00 -3.77 -1.84 4.02 -1.26 -5.13 117.16 108.77 2jqj n TYR 31 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.76 2jqj n TYR 31 Cb 0.34 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.50 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 2.94 -0.06 0.51 -0.72 2.01 -1.26 -5.02 115.64 114.03 2jqj s THR 32 Ca 0.00 0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.99 2jqj s THR 32 Cb 0.00 -0.08 -0.06 0.00 0.01 0.00 0.00 72.50 72.37 2jqj s THR 32 CO 0.00 0.09 1.38 0.00 -0.69 0.00 0.00 174.62 175.40 2jqj n LEU 34 N -0.71 -0.68 0.00 0.00 4.77 -1.16 -4.92 117.00 114.30 2jqj n LEU 34 Ca 0.08 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.21 2jqj n LEU 34 Cb 0.44 0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 42.30 2jqj n LEU 34 CO 0.55 -0.45 -0.04 0.61 -1.33 0.00 0.00 177.39 176.73 2jqj n GLY 35 N 0.34 3.36 3.32 -0.72 0.00 -1.17 0.75 105.19 111.07 2jqj n GLY 35 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.82 0.53 -0.25 1.61 3.76 -0.37 -0.83 115.29 116.91 2jqj s HIS 36 Ca 0.21 -0.89 0.01 0.00 -0.15 0.00 0.00 55.06 54.25 2jqj s HIS 36 Cb 0.01 -0.15 0.07 0.00 1.11 0.00 0.00 32.58 33.62 2jqj s HIS 36 CO 0.15 -0.70 -0.03 -0.51 -0.85 0.00 0.00 174.74 172.80 2jqj s LEU 37 N -3.00 2.78 -0.25 0.89 1.02 0.50 -2.98 118.68 117.64 2jqj s LEU 37 Ca 0.21 -1.33 -0.14 0.00 0.02 0.00 0.00 54.13 52.88 2jqj s LEU 37 Cb 0.04 -1.20 -0.04 0.00 0.02 0.00 0.00 46.19 45.01 2jqj s LEU 37 CO 0.02 -0.27 0.34 -0.69 0.02 0.00 0.00 176.35 175.77 2jqj s VAL 38 N 1.36 5.21 -0.37 -1.59 1.01 -0.64 -1.34 120.40 124.05 2jqj s VAL 38 Ca -0.02 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.28 2jqj s VAL 38 Cb -0.19 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2jqj s VAL 38 CO -0.08 0.21 0.68 0.20 0.00 0.00 0.00 175.10 176.11 2jqj s ASN 39 N 1.42 6.45 -0.52 3.32 0.01 0.16 0.43 114.94 126.21 2jqj s ASN 39 Ca 0.15 0.14 -0.23 0.00 -0.71 0.00 0.00 52.86 52.20 2jqj s ASN 39 Cb -0.15 -2.35 0.04 0.00 0.41 0.00 0.00 41.25 39.20 2jqj s ASN 39 CO 0.09 -0.66 0.87 -0.76 -1.51 0.00 0.00 177.10 175.13 2jqj s LEU 40 N 2.84 4.24 -0.00 0.60 1.43 -0.03 -2.90 118.68 124.85 2jqj s LEU 40 Ca 0.26 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 2jqj s LEU 40 Cb -0.14 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 2jqj s LEU 40 CO 0.16 -1.12 -0.21 -0.63 0.23 0.00 0.00 176.35 174.79 2jqj s ILE 41 N 3.65 1.64 -1.11 -0.59 1.01 -1.05 -4.59 121.20 120.16 2jqj s ILE 41 Ca 0.29 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 2jqj s ILE 41 Cb -0.13 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2jqj s ILE 41 CO 0.19 0.41 1.85 -2.16 0.00 0.00 0.00 174.94 175.24 2jqj s PRO 42 N -0.63 2.88 0.00 2.79 0.04 -1.26 -2.48 135.00 136.34 2jqj s PRO 42 Ca 0.08 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 60.06 2jqj s PRO 42 Cb -0.08 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2jqj s PRO 42 CO -0.00 -3.34 0.00 0.41 0.04 0.00 0.00 177.00 174.11 2jqj n GLY 43 N 6.14 1.96 0.00 0.56 0.00 -1.26 -5.12 105.19 107.48 2jqj n GLY 43 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2jqj n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jqj n LYS 44 N -0.14 0.00 -3.94 1.61 4.76 -1.03 -5.18 118.16 114.23 2jqj n LYS 44 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2jqj n LYS 44 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 2jqj n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2jqj s GLU 45 N -2.00 0.46 -0.03 1.97 1.03 -1.26 -2.54 118.70 116.33 2jqj s GLU 45 Ca 0.00 -0.62 -0.00 0.00 0.03 0.00 0.00 54.97 54.37 2jqj s GLU 45 Cb 0.00 0.18 0.03 0.00 -0.80 0.00 0.00 34.13 33.54 2jqj s GLU 45 CO 0.00 -0.10 0.04 -0.65 -1.33 0.00 0.00 175.26 173.22 2jqj s GLN 46 N -1.90 -0.03 -0.12 -4.83 -0.21 -1.14 -4.97 119.66 106.44 2jqj s GLN 46 Ca -0.11 0.23 -0.00 0.00 0.02 0.00 0.00 55.36 55.49 2jqj s GLN 46 Cb -0.06 -0.27 -0.02 0.00 1.00 0.00 0.00 33.01 33.66 2jqj s GLN 46 CO -0.02 -0.19 -0.11 0.21 -2.12 0.00 0.00 175.29 173.06 2jqj s LYS 47 N 1.22 3.34 0.11 2.91 2.36 -1.26 0.37 119.74 128.79 2jqj s LYS 47 Ca -0.07 -0.65 0.08 0.00 -2.55 0.00 0.00 55.97 52.78 2jqj s LYS 47 Cb -0.13 -2.66 -0.04 0.00 -1.05 0.00 0.00 37.83 33.96 2jqj s LYS 47 CO -0.03 0.27 -0.20 0.08 1.55 0.00 0.00 175.35 177.02 2jqj s VAL 48 N 0.21 1.69 -0.16 4.02 1.01 -0.45 -4.95 120.40 121.79 2jqj s VAL 48 Ca -0.07 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.25 2jqj s VAL 48 Cb -0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2jqj s VAL 48 CO 0.05 -0.12 0.05 -1.83 0.00 0.00 0.00 175.10 173.25 2jqj s GLU 49 N -2.07 3.72 -0.10 2.72 -1.05 -1.26 -0.37 118.70 120.28 2jqj s GLU 49 Ca 0.08 -0.34 0.02 0.00 -0.15 0.00 0.00 54.97 54.57 2jqj s GLU 49 Cb -0.09 -3.11 -0.01 0.00 -0.44 0.00 0.00 34.13 30.47 2jqj s GLU 49 CO 0.05 0.41 -0.17 -1.50 0.95 0.00 0.00 175.26 174.99 2jqj s ILE 50 N -0.02 2.72 0.38 1.83 2.07 -0.01 -4.93 121.20 123.24 2jqj s ILE 50 Ca 0.06 -0.80 0.07 0.00 -1.41 0.00 0.00 60.65 58.58 2jqj s ILE 50 Cb -0.12 -2.10 -0.01 0.00 0.13 0.00 0.00 42.46 40.36 2jqj s ILE 50 CO 0.01 0.55 0.44 0.42 -1.91 0.00 0.00 174.94 174.45 2jqj s THR 51 N 0.13 3.24 -1.28 4.00 -4.23 -1.26 -2.98 115.64 113.26 2jqj s THR 51 Ca -0.09 -1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 2jqj s THR 51 Cb -0.15 -3.12 -0.06 0.00 1.34 0.00 0.00 72.50 70.50 2jqj s THR 51 CO 0.05 -0.07 2.44 -0.46 -0.54 0.00 0.00 174.62 176.05 2jqj n ASN 52 N -1.63 5.86 -0.04 3.99 0.23 -1.18 -4.55 115.26 117.93 2jqj n ASN 52 Ca 0.03 -2.57 0.16 0.00 -0.53 0.00 0.00 54.58 51.67 2jqj n ASN 52 Cb 0.60 -1.39 0.90 0.00 -2.08 0.00 0.00 39.78 37.81 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 4.73 1.06 0.00 -3.83 0.63 -1.26 -4.88 116.66 113.11 2jqj n ARG 53 Ca 0.60 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 2jqj n ARG 53 Cb 0.26 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.68 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 -0.89 0.00 -3.87 6.15 4.13 -0.84 -4.79 115.26 115.15 2jqj n ASN 54 Ca 0.23 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.33 2jqj n ASN 54 Cb 0.13 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.22 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 0.24 -0.12 2.41 1.01 -1.26 -1.73 120.40 120.95 2jqj s VAL 55 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2jqj s VAL 55 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.12 2jqj s VAL 55 CO 0.00 0.12 -0.15 -0.89 0.00 0.00 0.00 175.10 174.18 2jqj s THR 56 N 0.54 1.49 -0.20 3.92 2.01 0.50 -4.89 115.64 119.01 2jqj s THR 56 Ca -0.06 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 2jqj s THR 56 Cb -0.09 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 2jqj s THR 56 CO -0.01 0.44 0.08 0.42 -0.69 0.00 0.00 174.62 174.86 2jqj s THR 57 N 1.11 4.77 -0.26 -0.82 -4.23 -1.26 0.81 115.64 115.76 2jqj s THR 57 Ca -0.04 -0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 2jqj s THR 57 Cb -0.14 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.51 2jqj s THR 57 CO -0.04 0.42 0.06 -0.63 -0.54 0.00 0.00 174.62 173.89 2jqj s ILE 58 N 0.71 4.02 -0.87 2.99 1.09 -0.13 -0.08 121.20 128.92 2jqj s ILE 58 Ca 0.04 -0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.14 2jqj s ILE 58 Cb -0.13 -2.96 0.00 0.00 -1.06 0.00 0.00 42.46 38.31 2jqj s ILE 58 CO 0.02 0.24 0.00 0.61 -0.10 0.00 0.00 174.94 175.71 2jqj n GLY 59 N 4.88 -0.79 0.00 6.18 0.00 -0.97 -3.02 105.19 111.47 2jqj n GLY 59 Ca -0.16 -0.26 0.05 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 0.32 -1.39 1.61 0.63 -1.24 -2.43 116.66 114.16 2jqj n ARG 60 Ca 0.00 -0.09 -0.37 0.00 -0.92 0.00 0.00 57.85 56.47 2jqj n ARG 60 Cb 0.00 -1.23 0.05 0.00 0.45 0.00 0.00 32.46 31.73 2jqj n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jqj n SER 61 N -1.83 -1.04 -0.02 6.15 2.88 -1.26 -4.91 113.62 113.59 2jqj n SER 61 Ca -0.02 0.67 -0.15 0.00 -1.33 0.00 0.00 58.87 58.05 2jqj n SER 61 Cb 0.25 -1.20 -0.04 0.00 -0.75 0.00 0.00 64.21 62.47 2jqj n SER 61 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jqj h ARG 62 N -0.02 0.72 0.00 -1.46 9.65 -1.97 -3.03 114.38 118.27 2jqj h ARG 62 Ca -0.46 -0.56 0.00 0.00 -1.10 0.00 0.00 59.98 57.87 2jqj h ARG 62 Cb 1.38 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.06 2jqj h ARG 62 CO 0.45 1.17 0.00 0.77 2.80 0.00 0.00 179.97 185.16 2jqj h SER 63 N 0.51 0.00 -3.44 -3.80 0.02 -2.00 -3.45 113.55 101.40 2jqj h SER 63 Ca -0.03 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.34 2jqj h SER 63 Cb 1.32 0.00 0.16 0.00 0.14 0.00 0.00 62.40 64.03 2jqj h SER 63 CO 0.14 0.00 0.04 0.00 -1.14 0.00 0.00 176.83 175.87 2jqj h ASP 65 N 0.52 -0.10 -3.43 0.00 1.82 -0.80 -3.44 116.42 110.98 2jqj h ASP 65 Ca -0.48 -0.48 -0.67 0.00 -0.39 0.00 0.00 57.03 55.02 2jqj h ASP 65 Cb 1.37 0.03 -0.31 0.00 0.68 0.00 0.00 39.33 41.09 2jqj h ASP 65 CO 0.51 0.54 -0.75 -0.69 -1.61 0.00 0.00 179.24 177.24 2jqj s VAL 66 N -2.98 2.92 -0.18 2.25 1.01 0.81 -4.89 120.40 119.33 2jqj s VAL 66 Ca -0.13 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 2jqj s VAL 66 Cb -0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2jqj s VAL 66 CO 0.48 0.29 0.17 0.27 0.00 0.00 0.00 175.10 176.32 2jqj s ILE 67 N 1.36 5.39 0.52 2.22 -4.36 -1.26 -2.29 121.20 122.78 2jqj s ILE 67 Ca 0.02 0.27 -0.05 0.00 -0.26 0.00 0.00 60.65 60.64 2jqj s ILE 67 Cb -0.16 -3.50 0.11 0.00 1.25 0.00 0.00 42.46 40.17 2jqj s ILE 67 CO -0.05 0.45 0.70 0.18 0.24 0.00 0.00 174.94 176.46 2jqj n LEU 68 N 3.37 0.00 -1.34 0.37 4.32 -1.02 -4.97 117.00 117.73 2jqj n LEU 68 Ca -0.16 -1.09 -0.10 0.00 -0.02 0.00 0.00 56.01 54.65 2jqj n LEU 68 Cb 0.52 -0.50 0.12 0.00 -1.62 0.00 0.00 43.42 41.94 2jqj n LEU 68 CO 0.37 -0.93 0.37 -0.24 -1.22 0.00 0.00 177.39 175.74 2jqj n SER 69 N -3.22 3.39 -4.35 -1.43 2.88 -1.26 -4.96 113.62 104.68 2jqj n SER 69 Ca 0.10 -3.82 -0.36 0.00 -1.33 0.00 0.00 58.87 53.46 2jqj n SER 69 Cb 0.36 -0.48 -0.13 0.00 -0.75 0.00 0.00 64.21 63.20 2jqj n SER 69 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jqj s GLU 70 N -3.42 3.36 0.41 -1.46 2.56 -1.26 -4.98 118.70 113.91 2jqj s GLU 70 Ca 0.45 -0.66 0.24 0.00 0.00 0.00 0.00 54.97 55.01 2jqj s GLU 70 Cb 0.40 -3.18 1.33 0.00 2.00 0.00 0.00 34.13 34.67 2jqj s GLU 70 CO -0.01 -0.26 1.73 -1.35 -0.56 0.00 0.00 175.26 174.80 2jqj h PRO 71 N 8.17 0.00 -0.50 4.30 0.11 -2.04 -1.30 132.00 140.74 2jqj h PRO 71 Ca -0.38 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.37 2jqj h PRO 71 Cb 1.15 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.98 2jqj h PRO 71 CO 0.59 0.00 -0.70 -0.25 -0.21 0.00 0.00 178.00 177.44 2jqj n ASP 72 N -2.40 3.86 -4.82 -2.05 9.92 -1.26 -5.05 116.55 114.75 2jqj n ASP 72 Ca -0.02 -3.80 -0.34 0.00 -0.53 0.00 0.00 54.79 50.10 2jqj n ASP 72 Cb 0.13 -0.41 -0.06 0.00 -0.64 0.00 0.00 41.12 40.13 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2jqj s ILE 73 N -4.14 4.45 0.03 0.53 1.10 -0.49 -5.03 121.20 117.65 2jqj s ILE 73 Ca 0.47 1.40 -0.30 0.00 -0.51 0.00 0.00 60.65 61.70 2jqj s ILE 73 Cb 0.40 -3.74 -0.04 0.00 0.15 0.00 0.00 42.46 39.22 2jqj s ILE 73 CO 0.00 -0.08 1.09 -0.55 -2.11 0.00 0.00 174.94 173.29 2jqj s SER 74 N -1.98 7.23 0.21 4.50 0.15 -1.26 -4.60 113.70 117.95 2jqj s SER 74 Ca 0.54 1.83 -0.07 0.00 0.70 0.00 0.00 55.95 58.95 2jqj s SER 74 Cb -0.13 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 61.76 2jqj s SER 74 CO 0.18 -0.36 1.70 0.74 1.20 0.00 0.00 173.24 176.69 2jqj h THR 75 N 4.67 1.26 -0.55 6.45 2.02 -1.92 -2.74 112.91 122.09 2jqj h THR 75 Ca -0.41 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 65.71 2jqj h THR 75 Cb 1.22 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2jqj h THR 75 CO 0.78 0.39 0.00 0.49 0.37 0.00 0.00 175.52 177.55 2jqj n PHE 76 N -4.20 1.16 0.00 3.16 3.72 -1.26 -4.38 117.46 115.66 2jqj n PHE 76 Ca 0.04 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 2jqj n PHE 76 Cb 0.31 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 0.86 0.00 -3.63 1.38 -0.00 -1.03 -4.56 115.22 108.24 2jqj n HIS 77 Ca 0.22 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.30 2jqj n HIS 77 Cb 0.77 -0.05 -0.03 0.00 -0.12 0.00 0.00 29.99 30.57 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 -2.60 -1.29 -0.03 1.57 0.00 -1.17 -3.15 121.76 115.10 2jqj s ALA 78 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.05 2jqj s ALA 78 Cb 0.00 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 2jqj s ALA 78 CO 0.00 -0.85 -0.13 -1.83 0.00 0.00 0.00 175.76 172.95 2jqj s GLU 79 N -3.83 1.32 -0.09 0.00 -1.05 -1.00 -0.96 118.70 113.09 2jqj s GLU 79 Ca 0.06 -0.47 0.04 0.00 -0.15 0.00 0.00 54.97 54.45 2jqj s GLU 79 Cb -0.02 -1.20 -0.00 0.00 -0.44 0.00 0.00 34.13 32.46 2jqj s GLU 79 CO -0.05 0.21 -0.23 -0.06 0.95 0.00 0.00 175.26 176.07 2jqj s PHE 80 N 0.02 2.55 -0.33 4.83 0.40 0.24 -1.49 117.98 124.21 2jqj s PHE 80 Ca -0.02 -0.95 -0.17 0.00 -0.60 0.00 0.00 56.93 55.20 2jqj s PHE 80 Cb -0.09 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2jqj s PHE 80 CO 0.01 -0.36 0.45 -1.01 0.70 0.00 0.00 175.22 175.01 2jqj s HIS 81 N 0.23 3.21 -0.37 0.36 3.76 -0.87 0.19 115.29 121.80 2jqj s HIS 81 Ca -0.15 0.20 -0.09 0.00 -0.15 0.00 0.00 55.06 54.87 2jqj s HIS 81 Cb -0.17 -2.77 0.04 0.00 1.11 0.00 0.00 32.58 30.78 2jqj s HIS 81 CO 0.08 -0.43 0.17 -1.17 -0.85 0.00 0.00 174.74 172.54 2jqj s LEU 82 N 2.23 4.62 -0.02 0.89 2.96 -0.71 -2.50 118.68 126.15 2jqj s LEU 82 Ca 0.16 -1.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.05 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 -0.76 -1.32 0.00 0.00 176.35 173.78 2jqj s LEU 83 N 1.49 2.05 -0.13 -0.68 1.02 -1.17 -1.99 118.68 119.27 2jqj s LEU 83 Ca 0.01 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.71 2jqj s LEU 83 Cb -0.20 -1.19 -0.03 0.00 0.02 0.00 0.00 46.19 44.79 2jqj s LEU 83 CO 0.05 0.28 -0.04 -1.58 0.02 0.00 0.00 176.35 175.08 2jqj s GLN 84 N -0.56 3.40 -0.06 1.70 -0.44 -1.26 -3.03 119.66 119.41 2jqj s GLN 84 Ca 0.09 -0.51 -0.02 0.00 -2.50 0.00 0.00 55.36 52.42 2jqj s GLN 84 Cb -0.09 -2.84 0.04 0.00 -1.64 0.00 0.00 33.01 28.48 2jqj s GLN 84 CO -0.01 0.39 0.11 1.41 0.50 0.00 0.00 175.29 177.69 2jqj s MET 85 N -0.05 -0.00 -0.33 1.67 1.75 -1.11 -5.06 119.30 116.16 2jqj s MET 85 Ca 0.02 0.43 -0.15 0.00 -1.25 0.00 0.00 55.69 54.74 2jqj s MET 85 Cb -0.13 -0.33 -0.02 0.00 2.84 0.00 0.00 34.83 37.19 2jqj s MET 85 CO 0.03 -0.28 0.36 0.16 -0.65 0.00 0.00 175.02 174.64 2jqj s ASP 86 N 1.94 6.18 -0.25 1.11 -4.77 -1.26 -1.25 116.67 118.36 2jqj s ASP 86 Ca 0.00 -0.15 0.03 0.00 -3.30 0.00 0.00 52.55 49.13 2jqj s ASP 86 Cb -0.12 -2.20 0.06 0.00 -1.09 0.00 0.00 42.92 39.57 2jqj s ASP 86 CO -0.05 -0.31 -0.11 0.68 0.70 0.00 0.00 175.17 176.08 2jqj s VAL 87 N 2.02 2.21 -0.66 2.11 -7.23 -0.70 -4.83 120.40 113.32 2jqj s VAL 87 Ca 0.12 -1.56 -0.05 0.00 -1.81 0.00 0.00 61.98 58.68 2jqj s VAL 87 Cb -0.16 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.51 2jqj s VAL 87 CO 0.11 0.02 0.67 0.47 -0.31 0.00 0.00 175.10 176.06 2jqj n ASP 88 N 4.46 -7.75 0.00 4.85 8.00 -1.26 -3.85 116.55 121.00 2jqj n ASP 88 Ca -0.15 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2jqj n ASP 88 Cb 0.43 -5.20 0.00 0.00 -0.02 0.00 0.00 41.12 36.32 2jqj n ASP 88 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jqj n ASN 89 N -1.38 0.00 -4.61 -2.24 3.02 -1.26 -4.84 115.26 103.96 2jqj n ASN 89 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 2jqj n ASN 89 Cb 0.50 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.68 2jqj n ASN 89 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2jqj n PHE 90 N 0.00 1.09 -4.40 3.10 3.72 -1.25 -4.97 117.46 114.75 2jqj n PHE 90 Ca 0.00 0.54 -0.34 0.00 -0.05 0.00 0.00 57.45 57.61 2jqj n PHE 90 Cb 0.00 -2.21 -0.12 0.00 -0.94 0.00 0.00 39.48 36.21 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 -2.08 3.61 -0.15 -1.08 -2.07 -1.26 -1.73 119.66 114.90 2jqj s GLN 91 Ca 0.64 -0.51 0.00 0.00 -1.82 0.00 0.00 55.36 53.68 2jqj s GLN 91 Cb -0.54 -2.90 -0.00 0.00 -1.09 0.00 0.00 33.01 28.47 2jqj s GLN 91 CO 0.56 0.29 -0.16 0.50 -1.32 0.00 0.00 175.29 175.16 2jqj s ARG 92 N 0.24 3.21 -0.12 9.60 3.52 -0.38 -4.97 118.95 130.04 2jqj s ARG 92 Ca -0.02 -0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 54.79 2jqj s ARG 92 Cb -0.14 -2.61 -0.03 0.00 -1.56 0.00 0.00 34.95 30.61 2jqj s ARG 92 CO 0.03 0.02 0.00 -0.80 -0.81 0.00 0.00 175.30 173.74 2jqj s ASN 93 N 0.79 5.18 -0.02 -2.12 -0.87 -1.26 -2.76 114.94 113.88 2jqj s ASN 93 Ca -0.06 0.05 0.05 0.00 -1.57 0.00 0.00 52.86 51.34 2jqj s ASN 93 Cb -0.15 -1.64 -0.01 0.00 -0.02 0.00 0.00 41.25 39.42 2jqj s ASN 93 CO 0.00 0.28 -0.17 -0.76 -2.57 0.00 0.00 177.10 173.88 2jqj s LEU 94 N -0.31 2.02 -0.02 0.60 1.02 -1.17 -4.94 118.68 115.88 2jqj s LEU 94 Ca 0.06 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 53.94 2jqj s LEU 94 Cb -0.12 -0.90 -0.01 0.00 0.02 0.00 0.00 46.19 45.18 2jqj s LEU 94 CO 0.02 0.21 -0.15 -0.63 0.02 0.00 0.00 176.35 175.81 2jqj s ILE 95 N -0.37 1.25 -0.04 -0.59 1.09 -1.15 -3.02 121.20 118.37 2jqj s ILE 95 Ca 0.06 -0.65 0.04 0.00 -1.10 0.00 0.00 60.65 58.99 2jqj s ILE 95 Cb -0.07 -1.05 -0.03 0.00 -1.06 0.00 0.00 42.46 40.25 2jqj s ILE 95 CO -0.00 0.36 -0.14 0.21 -0.10 0.00 0.00 174.94 175.27 2jqj s ASN 96 N -0.20 4.08 -0.24 3.58 2.47 -1.04 0.75 114.94 124.34 2jqj s ASN 96 Ca 0.02 -0.20 -0.08 0.00 0.42 0.00 0.00 52.86 53.02 2jqj s ASN 96 Cb -0.08 -0.86 -0.04 0.00 -1.45 0.00 0.00 41.25 38.82 2jqj s ASN 96 CO 0.00 0.34 0.10 -0.69 -3.72 0.00 0.00 177.10 173.13 2jqj s VAL 97 N -0.77 4.68 -0.18 -5.21 1.01 -0.03 -2.05 120.40 117.85 2jqj s VAL 97 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2jqj s VAL 97 Cb -0.11 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 2jqj s VAL 97 CO 0.01 0.34 -0.11 -0.63 0.00 0.00 0.00 175.10 174.72 2jqj s ILE 98 N 1.41 3.01 0.07 2.22 1.01 -0.55 -2.88 121.20 125.48 2jqj s ILE 98 Ca 0.06 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 2jqj s ILE 98 Cb -0.15 -2.31 -0.06 0.00 0.01 0.00 0.00 42.46 39.94 2jqj s ILE 98 CO 0.05 0.49 0.63 1.51 0.00 0.00 0.00 174.94 177.62 2jqj s ASP 99 N 0.97 7.12 -0.13 3.58 1.47 -1.26 -2.37 116.67 126.05 2jqj s ASP 99 Ca -0.01 1.33 0.20 0.00 1.18 0.00 0.00 52.55 55.24 2jqj s ASP 99 Cb -0.15 -2.40 -0.29 0.00 -0.34 0.00 0.00 42.92 39.75 2jqj s ASP 99 CO -0.01 0.20 0.25 1.17 0.68 0.00 0.00 175.17 177.45 2jqj n LYS 100 N 2.05 0.68 -2.47 2.11 0.00 -1.19 -4.98 118.16 114.37 2jqj n LYS 100 Ca -0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 58.31 58.09 2jqj n LYS 100 Cb 0.50 -1.52 0.01 0.00 0.00 0.00 0.00 35.03 34.02 2jqj n LYS 100 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jqj n SER 101 N -2.53 -6.35 0.00 3.14 7.64 -1.26 -5.02 113.62 109.24 2jqj n SER 101 Ca -0.20 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2jqj n SER 101 Cb 0.90 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 2jqj n SER 101 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jqj n ARG 102 N -0.24 0.00 0.00 1.43 1.74 -1.26 -5.01 116.66 113.33 2jqj n ARG 102 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2jqj n ARG 102 Cb 0.29 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 2jqj n ARG 102 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jqj n ASN 103 N -2.30 0.36 0.00 0.55 4.13 -1.26 -5.11 115.26 111.62 2jqj n ASN 103 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2jqj n ASN 103 Cb 0.07 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 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 2.69 3.49 2.89 7.41 0.00 -1.26 -4.99 105.19 115.42 2jqj n GLY 104 Ca 0.00 -0.16 -0.24 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 0.78 -0.15 2.61 2.01 -1.26 -1.82 115.64 117.81 2jqj s THR 105 Ca 0.00 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2jqj s THR 105 Cb 0.00 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.71 2jqj s THR 105 CO 0.00 0.31 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.68 2jqj s PHE 106 N 1.43 2.55 -0.05 4.92 0.40 0.59 -4.13 117.98 123.70 2jqj s PHE 106 Ca -0.02 -1.36 0.06 0.00 -0.60 0.00 0.00 56.93 55.02 2jqj s PHE 106 Cb -0.13 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2jqj s PHE 106 CO -0.04 -0.65 -0.24 -1.50 0.70 0.00 0.00 175.22 173.50 2jqj s ILE 107 N 1.03 2.22 -1.66 0.64 1.10 -0.72 0.42 121.20 124.23 2jqj s ILE 107 Ca -0.03 -1.02 0.00 0.00 -0.51 0.00 0.00 60.65 59.09 2jqj s ILE 107 Cb -0.15 -1.81 0.00 0.00 0.15 0.00 0.00 42.46 40.66 2jqj s ILE 107 CO -0.06 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.94 2jqj n ASN 108 N 2.71 -5.34 0.00 4.50 5.03 -0.97 -1.42 115.26 119.77 2jqj n ASN 108 Ca -0.17 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.36 2jqj n ASN 108 Cb 0.52 -4.41 0.00 0.00 -1.02 0.00 0.00 39.78 34.86 2jqj n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqj n GLY 109 N -0.95 0.30 3.12 7.41 0.00 -1.26 -4.99 105.19 108.82 2jqj n GLY 109 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 2jqj n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqj s ASN 110 N -2.01 1.22 0.10 1.61 0.01 -0.51 -5.12 114.94 110.24 2jqj s ASN 110 Ca 0.00 -0.66 -0.31 0.00 -0.71 0.00 0.00 52.86 51.18 2jqj s ASN 110 Cb 0.00 0.01 -0.08 0.00 0.41 0.00 0.00 41.25 41.60 2jqj s ASN 110 CO 0.00 -0.21 1.40 0.00 -1.51 0.00 0.00 177.10 176.79 2jqj s ARG 111 N -2.08 4.31 0.30 -0.60 3.03 -1.26 -1.75 118.95 120.90 2jqj s ARG 111 Ca -0.03 2.08 -0.29 0.00 2.03 0.00 0.00 55.73 59.52 2jqj s ARG 111 Cb -0.07 -3.30 -0.10 0.00 -1.03 0.00 0.00 34.95 30.45 2jqj s ARG 111 CO 0.00 -0.47 1.18 -0.48 -1.13 0.00 0.00 175.30 174.40 2jqj s LEU 112 N 1.32 4.49 -0.08 -1.89 0.05 -1.26 -4.93 118.68 116.39 2jqj s LEU 112 Ca 0.65 2.43 0.22 0.00 0.05 0.00 0.00 54.13 57.48 2jqj s LEU 112 Cb -0.36 -3.65 0.44 0.00 -2.05 0.00 0.00 46.19 40.57 2jqj s LEU 112 CO 0.30 -0.30 1.18 1.33 -0.55 0.00 0.00 176.35 178.30 2jqj n VAL 113 N 1.01 0.70 -3.84 1.48 0.24 -1.26 -5.07 118.33 111.58 2jqj n VAL 113 Ca -0.01 -1.80 -0.12 0.00 -2.04 0.00 0.00 64.34 60.38 2jqj n VAL 113 Cb 0.44 0.69 -0.10 0.00 -1.47 0.00 0.00 33.84 33.40 2jqj n VAL 113 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jqj s LYS 114 N -1.22 0.51 -0.45 7.34 -0.14 -1.26 -5.04 119.74 119.48 2jqj s LYS 114 Ca 0.35 -0.29 0.03 0.00 -1.36 0.00 0.00 55.97 54.70 2jqj s LYS 114 Cb 0.38 0.22 0.61 0.00 -1.68 0.00 0.00 37.83 37.35 2jqj s LYS 114 CO -0.13 -0.12 1.88 1.17 -0.76 0.00 0.00 175.35 177.39 2jqj n LYS 115 N 1.54 2.22 -2.71 1.68 4.81 -1.26 -4.49 118.16 119.94 2jqj n LYS 115 Ca -0.22 -2.85 -0.07 0.00 -0.87 0.00 0.00 58.31 54.30 2jqj n LYS 115 Cb 0.56 -2.12 0.07 0.00 0.02 0.00 0.00 35.03 33.56 2jqj n LYS 115 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jqj n ASP 116 N -1.02 -2.17 -4.76 3.14 -0.08 -1.26 -4.94 116.55 105.47 2jqj n ASP 116 Ca 0.57 -2.80 -0.40 0.00 -1.51 0.00 0.00 54.79 50.65 2jqj n ASP 116 Cb 1.50 1.47 -0.06 0.00 2.34 0.00 0.00 41.12 46.37 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2jqj s TYR 117 N 0.38 3.91 -0.31 -0.67 6.14 -1.14 -4.93 117.35 120.73 2jqj s TYR 117 Ca 0.27 1.70 -0.13 0.00 0.64 0.00 0.00 57.07 59.55 2jqj s TYR 117 Cb 0.24 -2.85 -0.03 0.00 0.42 0.00 0.00 41.96 39.74 2jqj s TYR 117 CO -0.16 0.45 0.27 -1.50 0.64 0.00 0.00 175.55 175.25 2jqj s ILE 118 N -0.96 5.25 -0.13 3.14 -1.16 -1.26 -0.86 121.20 125.23 2jqj s ILE 118 Ca 0.38 0.09 -0.06 0.00 -0.51 0.00 0.00 60.65 60.55 2jqj s ILE 118 Cb -0.24 -3.67 -0.04 0.00 0.61 0.00 0.00 42.46 39.12 2jqj s ILE 118 CO 0.28 0.08 0.08 -0.22 -2.81 0.00 0.00 174.94 172.35 2jqj s LEU 119 N 1.85 3.99 0.35 8.50 0.20 0.23 -4.96 118.68 128.85 2jqj s LEU 119 Ca 0.09 0.26 0.05 0.00 0.69 0.00 0.00 54.13 55.22 2jqj s LEU 119 Cb -0.16 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 2jqj s LEU 119 CO 0.11 0.33 0.21 -0.54 -0.29 0.00 0.00 176.35 176.17 2jqj s LYS 120 N -0.56 1.79 0.33 1.98 -0.14 -1.26 -2.93 119.74 118.94 2jqj s LYS 120 Ca 0.11 -2.05 -0.28 0.00 -1.36 0.00 0.00 55.97 52.38 2jqj s LYS 120 Cb -0.12 -0.04 -0.12 0.00 -1.68 0.00 0.00 37.83 35.87 2jqj s LYS 120 CO 0.02 -0.57 1.30 0.27 -0.76 0.00 0.00 175.35 175.61 2jqj n ASN 121 N -1.37 2.73 -2.12 2.83 0.23 -1.26 -3.28 115.26 113.02 2jqj n ASN 121 Ca 0.02 1.20 -0.07 0.00 -0.53 0.00 0.00 54.58 55.20 2jqj n ASN 121 Cb 0.64 -1.47 0.04 0.00 -2.08 0.00 0.00 39.78 36.90 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 0.97 0.07 3.06 4.83 0.00 -0.41 -5.01 105.19 108.70 2jqj n GLY 122 Ca 0.06 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.47 2.50 -0.11 1.61 1.11 -1.17 -4.97 116.67 112.18 2jqj s ASP 123 Ca 0.06 -0.44 -0.16 0.00 0.18 0.00 0.00 52.55 52.19 2jqj s ASP 123 Cb -0.01 -1.12 -0.05 0.00 1.07 0.00 0.00 42.92 42.81 2jqj s ASP 123 CO 0.32 0.02 0.40 -0.13 1.18 0.00 0.00 175.17 176.96 2jqj s ARG 124 N 0.98 4.23 -0.03 8.23 0.52 -1.26 -0.97 118.95 130.66 2jqj s ARG 124 Ca -0.06 0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.51 2jqj s ARG 124 Cb -0.15 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 2jqj s ARG 124 CO -0.02 0.28 -0.18 0.42 0.02 0.00 0.00 175.30 175.82 2jqj s ILE 125 N 0.27 1.46 -0.15 1.52 1.01 0.87 -2.30 121.20 123.88 2jqj s ILE 125 Ca 0.22 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2jqj s ILE 125 Cb -0.15 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.11 2jqj s ILE 125 CO 0.08 0.42 -0.21 -0.69 0.00 0.00 0.00 174.94 174.54 2jqj s VAL 126 N -0.23 2.02 -0.11 2.92 1.01 0.17 -0.56 120.40 125.62 2jqj s VAL 126 Ca 0.02 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.09 2jqj s VAL 126 Cb -0.09 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2jqj s VAL 126 CO 0.01 0.54 -0.22 -0.36 0.00 0.00 0.00 175.10 175.07 2jqj s PHE 127 N 0.93 2.61 0.00 5.22 0.40 0.18 -0.30 117.98 127.02 2jqj s PHE 127 Ca -0.04 -1.06 0.00 0.00 -0.60 0.00 0.00 56.93 55.23 2jqj s PHE 127 Cb -0.15 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.63 2jqj s PHE 127 CO -0.04 -0.43 0.00 0.41 0.70 0.00 0.00 175.22 175.86 2jqj n GLY 128 N 3.63 1.61 2.10 4.36 0.00 -0.75 -2.09 105.19 114.05 2jqj n GLY 128 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.29 0.05 1.61 4.81 -1.26 -4.79 118.16 116.30 2jqj n LYS 129 Ca 0.00 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2jqj n LYS 129 Cb 0.00 -4.12 0.00 0.00 0.02 0.00 0.00 35.03 30.93 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 1.32 -0.66 -4.59 3.14 7.64 -1.22 -5.06 113.62 114.19 2jqj n SER 130 Ca -0.04 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.61 2jqj n SER 130 Cb 0.31 0.84 -0.02 0.00 -1.01 0.00 0.00 64.21 64.33 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 3.58 2.78 0.04 0.00 1.04 -1.26 0.52 113.70 120.39 2jqj s SER 132 Ca 0.52 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 2jqj s SER 132 Cb -0.10 -0.95 -0.02 0.00 0.10 0.00 0.00 66.02 65.04 2jqj s SER 132 CO 0.29 0.18 0.04 0.72 0.98 0.00 0.00 173.24 175.45 2jqj s PHE 133 N 0.09 0.31 -0.06 5.02 -0.12 0.28 -0.85 117.98 122.65 2jqj s PHE 133 Ca -0.09 -0.69 0.02 0.00 -0.05 0.00 0.00 56.93 56.13 2jqj s PHE 133 Cb -0.15 -0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 41.99 2jqj s PHE 133 CO 0.05 -0.34 -0.11 -1.17 -0.05 0.00 0.00 175.22 173.60 2jqj s LEU 134 N -2.27 2.95 -0.09 -1.99 0.20 0.17 -0.09 118.68 117.56 2jqj s LEU 134 Ca -0.03 -0.11 -0.05 0.00 0.69 0.00 0.00 54.13 54.63 2jqj s LEU 134 Cb 0.00 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 2jqj s LEU 134 CO -0.06 0.35 0.12 0.12 -0.29 0.00 0.00 176.35 176.60 2jqj s PHE 135 N -0.77 3.49 0.04 5.38 5.36 -0.14 -1.63 117.98 129.71 2jqj s PHE 135 Ca 0.12 0.42 -0.20 0.00 -0.96 0.00 0.00 56.93 56.31 2jqj s PHE 135 Cb -0.11 -1.88 0.04 0.00 -0.34 0.00 0.00 43.02 40.74 2jqj s PHE 135 CO 0.01 0.66 0.45 0.21 -1.46 0.00 0.00 175.22 175.10 2jqj s LYS 136 N -1.22 0.95 0.13 10.12 2.36 -1.16 -1.29 119.74 129.63 2jqj s LYS 136 Ca 0.17 -0.27 -0.24 0.00 -2.55 0.00 0.00 55.97 53.08 2jqj s LYS 136 Cb -0.12 0.43 -0.08 0.00 -1.05 0.00 0.00 37.83 37.01 2jqj s LYS 136 CO 0.07 -0.33 0.72 0.71 1.55 0.00 0.00 175.35 178.07 2jqj s TYR 137 N -2.31 3.87 -0.32 4.03 2.02 -1.26 -1.24 117.35 122.15 2jqj s TYR 137 Ca -0.06 1.53 -0.01 0.00 -0.37 0.00 0.00 57.07 58.16 2jqj s TYR 137 Cb -0.01 -2.70 0.06 0.00 -0.40 0.00 0.00 41.96 38.92 2jqj s TYR 137 CO -0.01 0.52 0.03 0.00 -1.57 0.00 0.00 175.55 174.52 2jqj s ALA 138 N -1.08 2.85 -0.06 3.71 0.00 0.23 -4.89 121.76 122.52 2jqj s ALA 138 Ca 0.34 -1.93 0.24 0.00 0.00 0.00 0.00 51.96 50.60 2jqj s ALA 138 Cb -0.22 -1.99 0.44 0.00 0.00 0.00 0.00 23.12 21.35 2jqj s ALA 138 CO 0.24 -1.38 1.17 0.43 0.00 0.00 0.00 175.76 176.22 2jqj n SER 139 N 4.58 1.23 -4.39 0.00 7.64 -1.26 -4.38 113.62 117.03 2jqj n SER 139 Ca -0.10 -2.25 -0.43 0.00 1.01 0.00 0.00 58.87 57.09 2jqj n SER 139 Cb 0.43 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.15 4.93 -4.38 6.43 7.64 -1.26 -4.92 113.62 122.22 2jqj n SER 140 Ca 0.08 -2.95 -0.46 0.00 1.01 0.00 0.00 58.87 56.56 2jqj n SER 140 Cb 1.05 -1.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.57 2jqj n SER 140 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jqj s SER 141 N 3.38 6.67 0.19 6.43 0.15 -1.26 -5.03 113.70 124.23 2jqj s SER 141 Ca 0.48 -2.36 0.08 0.00 0.70 0.00 0.00 55.95 54.85 2jqj s SER 141 Cb 0.03 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2jqj s SER 141 CO 0.03 -0.79 -0.00 -0.94 1.20 0.00 0.00 173.24 172.73 2jqj s SER 142 N 2.82 4.72 0.01 5.45 1.04 -1.26 -5.03 113.70 121.45 2jqj s SER 142 Ca 0.23 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2jqj s SER 142 Cb -0.09 -0.98 0.00 0.00 0.10 0.00 0.00 66.02 65.05 2jqj s SER 142 CO -0.08 0.08 0.00 1.07 0.98 0.00 0.00 173.24 175.29 2jqj n THR 143 N -0.21 0.01 -2.89 2.02 5.66 -1.26 -5.01 114.28 112.59 2jqj n THR 143 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2jqj n THR 143 Cb 0.56 -0.70 0.01 0.00 -1.55 0.00 0.00 70.33 68.64 2jqj n THR 143 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2jqj s ASP 144 N -5.01 -0.84 0.00 1.09 -1.08 -1.26 -5.10 116.67 104.47 2jqj s ASP 144 Ca 0.00 -0.59 0.00 0.00 -0.52 0.00 0.00 52.55 51.44 2jqj s ASP 144 Cb 0.00 1.09 0.00 0.00 -1.46 0.00 0.00 42.92 42.55 2jqj s ASP 144 CO 0.00 -0.08 0.00 -0.38 0.52 0.00 0.00 175.17 175.23 2jqj n ILE 145 N 3.65 0.00 -3.98 4.11 -0.00 -1.26 -5.13 119.36 116.75 2jqj n ILE 145 Ca 0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 62.75 62.56 2jqj n ILE 145 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.20 2jqj n ILE 145 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2jqj s GLU 146 N 4.28 3.24 0.37 0.38 2.56 -1.26 -5.00 118.70 123.27 2jqj s GLU 146 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.97 54.36 2jqj s GLU 146 Cb 0.00 -2.89 0.00 0.00 2.00 0.00 0.00 34.13 33.24 2jqj s GLU 146 CO 0.00 0.55 0.00 -1.71 -0.56 0.00 0.00 175.26 173.54 2jqj n ASN 147 N -0.06 -8.49 -4.71 -1.70 5.15 -1.26 -4.67 115.26 99.53 2jqj n ASN 147 Ca -0.07 0.68 -0.42 0.00 -0.60 0.00 0.00 54.58 54.17 2jqj n ASN 147 Cb 0.53 -4.38 -0.03 0.00 -0.53 0.00 0.00 39.78 35.36 2jqj n ASN 147 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2jqj s ASP 148 N -7.11 6.41 0.34 1.20 1.11 -1.26 -5.00 116.67 112.36 2jqj s ASP 148 Ca 0.00 2.81 0.10 0.00 0.18 0.00 0.00 52.55 55.64 2jqj s ASP 148 Cb 0.00 -2.59 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 2jqj s ASP 148 CO 0.00 -0.98 -0.09 1.51 1.18 0.00 0.00 175.17 176.79 2jqj s ASP 149 N 1.76 3.76 0.41 0.27 -4.77 -1.26 -5.07 116.67 111.77 2jqj s ASP 149 Ca 0.77 -1.18 0.00 0.00 -3.30 0.00 0.00 52.55 48.84 2jqj s ASP 149 Cb -0.48 -0.36 0.00 0.00 -1.09 0.00 0.00 42.92 40.99 2jqj s ASP 149 CO 0.34 -0.20 0.00 -0.62 0.70 0.00 0.00 175.17 175.39 2jqj n GLU 150 N -0.80 -2.55 -2.68 2.11 1.02 -1.26 -4.72 120.64 111.76 2jqj n GLU 150 Ca -0.05 1.68 -0.41 0.00 -0.02 0.00 0.00 57.16 58.36 2jqj n GLU 150 Cb 0.63 -3.12 -0.04 0.00 -0.02 0.00 0.00 31.44 28.89 2jqj n GLU 150 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2jqj s LYS 151 N -1.95 4.67 -0.40 3.49 0.00 -1.26 -4.97 119.74 119.32 2jqj s LYS 151 Ca 0.00 1.52 0.10 0.00 0.00 0.00 0.00 55.97 57.59 2jqj s LYS 151 Cb 0.00 -3.35 0.36 0.00 0.00 0.00 0.00 37.83 34.83 2jqj s LYS 151 CO 0.00 0.18 0.95 1.55 0.00 0.00 0.00 175.35 178.03 2jqj n VAL 152 N 2.72 0.04 -0.04 1.79 3.14 -1.26 -4.84 118.33 119.87 2jqj n VAL 152 Ca 0.03 -3.05 -0.11 0.00 -2.96 0.00 0.00 64.34 58.25 2jqj n VAL 152 Cb 0.48 0.58 -0.14 0.00 -1.06 0.00 0.00 33.84 33.70 2jqj n VAL 152 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2jqj n SER 153 N 0.19 0.88 -0.10 6.55 3.41 -1.26 -4.61 113.62 118.68 2jqj n SER 153 Ca 0.14 0.26 -0.18 0.00 -0.26 0.00 0.00 58.87 58.83 2jqj n SER 153 Cb 0.71 0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.65 2jqj n SER 153 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jqj n SER 154 N -3.04 1.91 -3.47 4.04 2.88 -1.26 -5.08 113.62 109.59 2jqj n SER 154 Ca -0.24 0.10 -0.12 0.00 -1.33 0.00 0.00 58.87 57.27 2jqj n SER 154 Cb 1.07 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 2jqj n SER 154 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2jqj s GLU 155 N -2.38 1.21 0.00 -1.46 -1.05 -1.26 -5.18 118.70 108.58 2jqj s GLU 155 Ca -0.27 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 2jqj s GLU 155 Cb 0.09 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.34 2jqj s GLU 155 CO 0.39 -0.51 0.00 0.45 0.95 0.00 0.00 175.26 176.55 2jqj n SER 156 N -0.19 0.00 -2.47 0.83 2.88 -1.26 -4.51 113.62 108.90 2jqj n SER 156 Ca -0.17 -0.90 -0.30 0.00 -1.33 0.00 0.00 58.87 56.17 2jqj n SER 156 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 2jqj n SER 156 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jqj n ARG 157 N -0.90 2.42 -2.36 -1.46 0.63 -1.26 -4.91 116.66 108.82 2jqj n ARG 157 Ca 0.00 -2.64 -0.01 0.00 -0.92 0.00 0.00 57.85 54.27 2jqj n ARG 157 Cb 0.00 -2.10 -0.01 0.00 0.45 0.00 0.00 32.46 30.80 2jqj n ARG 157 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jqj n SER 158 N 0.15 -7.40 0.00 6.15 7.64 -1.26 -5.29 113.62 113.61 2jqj n SER 158 Ca 0.49 1.71 0.00 0.00 1.01 0.00 0.00 58.87 62.07 2jqj n SER 158 Cb 0.49 -5.11 0.00 0.00 -1.01 0.00 0.00 64.21 58.58 2jqj n SER 158 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03