#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 3.99 0.46 1.97 0.52 -1.26 -4.82 118.95 119.80 2jqj s ARG 20 Ca 0.00 1.32 0.00 0.00 -0.52 0.00 0.00 55.73 56.53 2jqj s ARG 20 Cb 0.00 -3.85 0.00 0.00 0.52 0.00 0.00 34.95 31.62 2jqj s ARG 20 CO 0.00 -1.02 0.00 0.94 0.02 0.00 0.00 175.30 175.24 2jqj n GLN 21 N 7.14 -2.98 -1.42 3.54 7.27 -1.26 -5.03 117.38 124.64 2jqj n GLN 21 Ca 0.14 2.21 0.00 0.00 0.07 0.00 0.00 57.00 59.43 2jqj n GLN 21 Cb 0.46 -3.56 0.00 0.00 2.41 0.00 0.00 30.24 29.55 2jqj n GLN 21 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2jqj n GLN 22 N -4.23 -3.96 -3.74 3.69 6.02 -1.26 -5.07 117.38 108.83 2jqj n GLN 22 Ca -0.03 2.99 -0.11 0.00 -0.01 0.00 0.00 57.00 59.84 2jqj n GLN 22 Cb 0.64 -3.50 -0.07 0.00 1.02 0.00 0.00 30.24 28.34 2jqj n GLN 22 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2jqj s ARG 23 N -4.44 0.88 0.01 -1.09 0.52 -1.26 -4.83 118.95 108.74 2jqj s ARG 23 Ca 0.00 -0.64 -0.26 0.00 -0.52 0.00 0.00 55.73 54.31 2jqj s ARG 23 Cb 0.00 0.38 0.09 0.00 0.52 0.00 0.00 34.95 35.94 2jqj s ARG 23 CO 0.00 -0.30 1.20 0.43 0.02 0.00 0.00 175.30 176.65 2jqj n SER 24 N 0.25 -1.23 -4.12 0.23 7.64 -1.26 -5.13 113.62 110.01 2jqj n SER 24 Ca -0.17 -1.33 -0.34 0.00 1.01 0.00 0.00 58.87 58.04 2jqj n SER 24 Cb 0.61 1.92 -0.14 0.00 -1.01 0.00 0.00 64.21 65.60 2jqj n SER 24 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2jqj s ASN 25 N -3.68 4.85 -0.06 6.43 0.01 -1.26 -5.00 114.94 116.24 2jqj s ASN 25 Ca 0.28 -1.59 -0.04 0.00 -0.71 0.00 0.00 52.86 50.80 2jqj s ASN 25 Cb -0.01 -1.69 -0.02 0.00 0.41 0.00 0.00 41.25 39.94 2jqj s ASN 25 CO 0.00 -0.32 0.20 0.11 -1.51 0.00 0.00 177.10 175.59 2jqj h LYS 26 N 7.90 -0.14 -7.29 -0.60 1.79 -2.03 -3.45 116.57 112.74 2jqj h LYS 26 Ca -0.16 0.01 -0.51 0.00 -2.18 0.00 0.00 60.65 57.80 2jqj h LYS 26 Cb 1.05 0.03 0.12 0.00 -1.58 0.00 0.00 32.23 31.85 2jqj h LYS 26 CO 0.55 -0.09 0.33 -1.25 -1.08 0.00 0.00 179.45 177.90 2jqj s PRO 27 N -1.96 2.41 -1.12 3.15 0.04 -1.26 -4.02 135.00 132.24 2jqj s PRO 27 Ca -0.02 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 2jqj s PRO 27 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2jqj s PRO 27 CO 0.06 -1.53 0.93 0.45 0.04 0.00 0.00 177.00 176.96 2jqj n SER 28 N -3.28 -2.31 -4.00 6.66 2.88 -1.26 -4.98 113.62 107.33 2jqj n SER 28 Ca 0.09 -0.57 -0.32 0.00 -1.33 0.00 0.00 58.87 56.75 2jqj n SER 28 Cb 0.53 -4.76 -0.11 0.00 -0.75 0.00 0.00 64.21 59.12 2jqj n SER 28 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jqj s SER 29 N -4.19 5.00 1.39 -3.46 0.15 -1.26 -5.09 113.70 106.24 2jqj s SER 29 Ca 0.04 -3.37 -0.21 0.00 0.70 0.00 0.00 55.95 53.11 2jqj s SER 29 Cb -0.02 -1.74 0.36 0.00 -1.71 0.00 0.00 66.02 62.91 2jqj s SER 29 CO 0.67 -0.21 0.92 -0.62 1.20 0.00 0.00 173.24 175.21 2jqj n GLU 30 N 2.69 -4.15 0.00 5.44 1.02 -1.26 -5.04 120.64 119.34 2jqj n GLU 30 Ca 0.13 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.05 2jqj n GLU 30 Cb 0.35 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 2jqj n GLU 30 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jqj n TYR 31 N -5.60 0.00 -3.76 -0.32 4.01 -1.26 -5.04 117.16 105.20 2jqj n TYR 31 Ca 0.10 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.68 2jqj n TYR 31 Cb 0.58 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.45 2jqj n TYR 31 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2jqj s THR 32 N 0.01 -0.07 -0.00 -0.72 -4.23 -1.26 -5.01 115.64 104.36 2jqj s THR 32 Ca 0.00 0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.45 2jqj s THR 32 Cb 0.00 -0.11 -0.06 0.00 1.34 0.00 0.00 72.50 73.67 2jqj s THR 32 CO 0.00 0.10 1.58 0.00 -0.54 0.00 0.00 174.62 175.76 2jqj n LEU 34 N 6.20 0.19 -4.66 0.00 7.94 -0.93 -4.93 117.00 120.80 2jqj n LEU 34 Ca 0.16 0.29 -0.23 0.00 -1.11 0.00 0.00 56.01 55.12 2jqj n LEU 34 Cb 0.42 0.13 -0.07 0.00 0.53 0.00 0.00 43.42 44.43 2jqj n LEU 34 CO 0.61 -0.72 -0.28 -0.83 -1.11 0.00 0.00 177.39 175.06 2jqj s GLY 35 N -4.43 1.85 0.14 -3.96 0.00 -1.04 1.00 107.32 100.88 2jqj s GLY 35 Ca 0.00 -1.79 0.04 0.00 0.00 0.00 0.00 44.72 42.97 2jqj s GLY 35 CO 0.00 -1.78 -0.09 0.30 0.00 0.00 0.00 173.10 171.53 2jqj s HIS 36 N -2.41 1.22 -0.14 1.90 3.76 -0.73 0.10 115.29 118.99 2jqj s HIS 36 Ca 0.34 -0.80 -0.00 0.00 -0.15 0.00 0.00 55.06 54.46 2jqj s HIS 36 Cb -0.04 -0.64 0.03 0.00 1.11 0.00 0.00 32.58 33.04 2jqj s HIS 36 CO 0.20 0.04 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.52 2jqj s LEU 37 N -3.16 1.54 -0.26 0.89 1.43 -0.40 -2.97 118.68 115.76 2jqj s LEU 37 Ca 0.17 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 2jqj s LEU 37 Cb 0.03 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 2jqj s LEU 37 CO 0.00 -0.11 0.17 -0.69 0.23 0.00 0.00 176.35 175.96 2jqj s VAL 38 N 1.59 5.27 -0.17 -1.59 1.01 -1.02 -0.57 120.40 124.91 2jqj s VAL 38 Ca 0.04 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 2jqj s VAL 38 Cb -0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2jqj s VAL 38 CO -0.09 0.29 0.60 0.20 0.00 0.00 0.00 175.10 176.10 2jqj s ASN 39 N 1.49 6.70 -0.52 3.32 0.01 0.87 -1.61 114.94 125.20 2jqj s ASN 39 Ca 0.07 0.84 -0.24 0.00 -0.71 0.00 0.00 52.86 52.82 2jqj s ASN 39 Cb -0.15 -2.34 0.04 0.00 0.41 0.00 0.00 41.25 39.21 2jqj s ASN 39 CO 0.08 -0.20 0.91 -0.76 -1.51 0.00 0.00 177.10 175.62 2jqj s LEU 40 N 1.55 4.14 0.00 0.60 1.02 0.13 -2.95 118.68 123.18 2jqj s LEU 40 Ca 0.28 -0.27 0.07 0.00 0.02 0.00 0.00 54.13 54.23 2jqj s LEU 40 Cb -0.16 -2.89 -0.02 0.00 0.02 0.00 0.00 46.19 43.15 2jqj s LEU 40 CO 0.11 -1.15 -0.21 -0.63 0.02 0.00 0.00 176.35 174.50 2jqj s ILE 41 N 3.78 1.65 -1.17 -0.59 1.01 -1.02 -4.58 121.20 120.28 2jqj s ILE 41 Ca 0.31 -0.98 0.18 0.00 0.00 0.00 0.00 60.65 60.16 2jqj s ILE 41 Cb -0.12 -1.39 0.21 0.00 0.01 0.00 0.00 42.46 41.17 2jqj s ILE 41 CO 0.20 0.39 1.56 -0.81 0.00 0.00 0.00 174.94 176.29 2jqj n PRO 42 N 2.36 0.10 -0.00 2.79 -0.04 -1.26 -2.70 135.00 136.24 2jqj n PRO 42 Ca -0.16 0.16 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2jqj n PRO 42 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2jqj n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jqj n GLY 43 N 0.30 -0.27 0.00 0.55 0.00 -1.26 -5.09 105.19 99.43 2jqj n GLY 43 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.54 -0.70 -3.94 1.61 4.76 -1.10 -5.16 118.16 112.09 2jqj n LYS 44 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 2jqj n LYS 44 Cb 0.23 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.26 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 -0.40 0.26 -0.13 1.97 -1.05 -1.26 -2.43 118.70 115.65 2jqj s GLU 45 Ca 0.00 0.04 -0.03 0.00 -0.15 0.00 0.00 54.97 54.83 2jqj s GLU 45 Cb 0.00 -0.39 -0.03 0.00 -0.44 0.00 0.00 34.13 33.26 2jqj s GLU 45 CO 0.00 -0.09 -0.02 -0.65 0.95 0.00 0.00 175.26 175.45 2jqj s GLN 46 N 0.75 3.43 -0.19 -4.83 -0.21 -1.15 -4.95 119.66 112.51 2jqj s GLN 46 Ca -0.07 -0.48 -0.02 0.00 0.02 0.00 0.00 55.36 54.81 2jqj s GLN 46 Cb -0.10 -2.88 -0.01 0.00 1.00 0.00 0.00 33.01 31.02 2jqj s GLN 46 CO -0.01 0.41 -0.08 0.21 -2.12 0.00 0.00 175.29 173.70 2jqj s LYS 47 N -0.08 3.36 0.12 2.91 2.20 -1.26 -0.09 119.74 126.89 2jqj s LYS 47 Ca 0.03 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 55.05 2jqj s LYS 47 Cb -0.13 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2jqj s LYS 47 CO 0.02 -0.08 -0.06 0.08 -0.36 0.00 0.00 175.35 174.96 2jqj s VAL 48 N 1.13 3.59 -0.26 4.02 1.01 0.26 -4.96 120.40 125.19 2jqj s VAL 48 Ca 0.01 -1.26 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 2jqj s VAL 48 Cb -0.14 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2jqj s VAL 48 CO -0.02 0.06 0.10 -1.61 0.00 0.00 0.00 175.10 173.63 2jqj s GLU 49 N -2.42 3.66 -0.16 2.72 8.01 -1.26 -1.27 118.70 127.98 2jqj s GLU 49 Ca 0.24 -0.48 -0.11 0.00 0.01 0.00 0.00 54.97 54.63 2jqj s GLU 49 Cb -0.11 -3.41 -0.05 0.00 -4.31 0.00 0.00 34.13 26.25 2jqj s GLU 49 CO 0.16 -0.22 0.20 0.42 0.01 0.00 0.00 175.26 175.83 2jqj s ILE 50 N 1.64 5.37 0.38 -1.63 -1.09 0.28 -4.97 121.20 121.19 2jqj s ILE 50 Ca 0.06 0.35 0.08 0.00 -2.23 0.00 0.00 60.65 58.90 2jqj s ILE 50 Cb -0.16 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 2jqj s ILE 50 CO 0.05 0.46 0.44 0.42 -1.23 0.00 0.00 174.94 175.08 2jqj s THR 51 N 0.11 3.23 -1.13 2.92 -4.23 -1.26 -2.20 115.64 113.08 2jqj s THR 51 Ca 0.13 -1.17 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 2jqj s THR 51 Cb -0.12 -3.12 0.27 0.00 1.34 0.00 0.00 72.50 70.87 2jqj s THR 51 CO 0.02 -0.07 1.44 -0.46 -0.54 0.00 0.00 174.62 175.01 2jqj n ASN 52 N -1.63 5.90 -1.45 3.99 0.23 -1.14 -4.73 115.26 116.43 2jqj n ASN 52 Ca 0.03 -3.23 0.08 0.00 -0.53 0.00 0.00 54.58 50.93 2jqj n ASN 52 Cb 0.60 -1.35 0.34 0.00 -2.08 0.00 0.00 39.78 37.28 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 2.39 3.84 0.00 -3.83 1.85 -1.26 -4.84 116.66 114.81 2jqj n ARG 53 Ca 0.28 -2.89 0.00 0.00 -1.00 0.00 0.00 57.85 54.24 2jqj n ARG 53 Cb 0.36 -1.94 0.00 0.00 -1.05 0.00 0.00 32.46 29.83 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 0.59 0.00 -3.84 2.89 5.03 -0.86 -4.80 115.26 114.27 2jqj n ASN 54 Ca 0.24 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.52 2jqj n ASN 54 Cb 0.94 -0.02 -0.16 0.00 -1.02 0.00 0.00 39.78 39.52 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jqj s VAL 55 N -0.04 0.22 -0.11 2.41 1.01 -1.26 -2.41 120.40 120.24 2jqj s VAL 55 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2jqj s VAL 55 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.10 2jqj s VAL 55 CO 0.00 0.14 -0.15 -0.89 0.00 0.00 0.00 175.10 174.20 2jqj s THR 56 N 0.85 1.49 -0.18 3.92 2.01 0.50 -4.90 115.64 119.33 2jqj s THR 56 Ca -0.09 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.20 2jqj s THR 56 Cb -0.12 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2jqj s THR 56 CO -0.01 0.44 0.06 -0.89 -0.69 0.00 0.00 174.62 173.53 2jqj s THR 57 N 0.94 4.80 -0.25 -0.82 2.01 -1.26 0.12 115.64 121.18 2jqj s THR 57 Ca -0.08 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 2jqj s THR 57 Cb -0.15 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.21 2jqj s THR 57 CO -0.01 0.47 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.74 2jqj s ILE 58 N 0.26 3.34 -0.36 1.82 1.09 -0.36 0.80 121.20 127.78 2jqj s ILE 58 Ca 0.04 -0.72 0.00 0.00 -1.10 0.00 0.00 60.65 58.87 2jqj s ILE 58 Cb -0.12 -2.63 0.00 0.00 -1.06 0.00 0.00 42.46 38.65 2jqj s ILE 58 CO 0.00 0.27 0.00 0.61 -0.10 0.00 0.00 174.94 175.72 2jqj n GLY 59 N 4.77 -0.83 0.02 6.18 0.00 -1.05 -3.07 105.19 111.20 2jqj n GLY 59 Ca -0.17 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.70 2jqj n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jqj n ARG 60 N 0.00 1.01 -1.66 1.61 1.85 -1.25 -3.04 116.66 115.19 2jqj n ARG 60 Ca 0.00 -0.06 -0.50 0.00 -1.00 0.00 0.00 57.85 56.29 2jqj n ARG 60 Cb 0.00 -1.22 -0.05 0.00 -1.05 0.00 0.00 32.46 30.13 2jqj n ARG 60 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jqj n SER 61 N -1.98 2.62 0.11 2.89 2.88 -1.26 -4.82 113.62 114.06 2jqj n SER 61 Ca -0.06 1.07 0.17 0.00 -1.33 0.00 0.00 58.87 58.72 2jqj n SER 61 Cb 0.41 -1.29 0.72 0.00 -0.75 0.00 0.00 64.21 63.30 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 6.48 0.00 0.00 -1.46 1.12 -1.97 0.19 114.38 118.73 2jqj h ARG 62 Ca -0.47 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.37 2jqj h ARG 62 Cb 1.29 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.25 2jqj h ARG 62 CO 0.88 0.00 -0.17 1.03 -3.11 0.00 0.00 179.97 178.60 2jqj h SER 63 N 0.00 0.00 -2.87 -3.80 0.87 -2.00 -3.46 113.55 102.29 2jqj h SER 63 Ca 0.15 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.26 2jqj h SER 63 Cb 0.67 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.86 2jqj h SER 63 CO -0.00 0.17 -0.53 0.00 -0.53 0.00 0.00 176.83 175.94 2jqj h ASP 65 N -2.29 0.00 -3.24 0.00 1.82 -0.43 -3.45 116.42 108.83 2jqj h ASP 65 Ca -0.56 -0.46 -0.63 0.00 -0.39 0.00 0.00 57.03 54.99 2jqj h ASP 65 Cb 1.34 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 41.19 2jqj h ASP 65 CO 0.43 1.36 -0.57 -0.69 -1.61 0.00 0.00 179.24 178.16 2jqj s VAL 66 N -2.33 4.72 -0.17 2.25 1.01 0.24 -4.89 120.40 121.23 2jqj s VAL 66 Ca -0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 2jqj s VAL 66 Cb 0.05 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2jqj s VAL 66 CO 0.54 0.49 -0.02 0.27 0.00 0.00 0.00 175.10 176.39 2jqj s ILE 67 N 0.09 4.04 0.00 2.22 -4.36 -1.26 -2.52 121.20 119.41 2jqj s ILE 67 Ca 0.05 -0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.14 2jqj s ILE 67 Cb -0.12 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.80 2jqj s ILE 67 CO 0.01 0.48 0.00 0.18 0.24 0.00 0.00 174.94 175.84 2jqj n LEU 68 N 3.66 0.00 -0.32 0.37 4.32 -1.17 -5.01 117.00 118.86 2jqj n LEU 68 Ca -0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.72 2jqj n LEU 68 Cb 0.52 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.26 2jqj n LEU 68 CO 0.33 0.00 0.52 0.28 -1.22 0.00 0.00 177.39 177.30 2jqj h SER 69 N 0.00 -1.87 0.00 -1.43 0.02 -1.96 -3.47 113.55 104.84 2jqj h SER 69 Ca 0.00 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2jqj h SER 69 Cb 0.00 0.84 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2jqj h SER 69 CO 0.00 -0.29 0.00 1.21 -1.14 0.00 0.00 176.83 176.61 2jqj n GLU 70 N -5.34 0.00 -0.19 3.45 2.13 -1.26 -4.86 120.64 114.58 2jqj n GLU 70 Ca 0.02 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.74 2jqj n GLU 70 Cb 0.31 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.04 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 2jqj h PRO 71 N 0.00 1.04 -0.48 5.31 0.11 -1.98 -3.09 132.00 132.91 2jqj h PRO 71 Ca 0.00 -0.39 -0.13 0.00 0.11 0.00 0.00 66.00 65.59 2jqj h PRO 71 Cb 0.00 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 30.97 2jqj h PRO 71 CO 0.00 1.08 0.10 -0.40 -0.21 0.00 0.00 178.00 178.57 2jqj n ASP 72 N -4.15 3.97 -4.30 -2.05 5.75 -1.26 -4.94 116.55 109.57 2jqj n ASP 72 Ca 0.01 -3.28 -0.33 0.00 -0.01 0.00 0.00 54.79 51.19 2jqj n ASP 72 Cb 0.41 -0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 39.69 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2jqj s ILE 73 N -3.00 2.74 0.17 2.12 1.10 -1.17 -4.87 121.20 118.28 2jqj s ILE 73 Ca 0.48 -0.76 -0.31 0.00 -0.51 0.00 0.00 60.65 59.55 2jqj s ILE 73 Cb 0.40 -2.14 -0.09 0.00 0.15 0.00 0.00 42.46 40.78 2jqj s ILE 73 CO 0.09 0.52 1.42 -0.44 -2.11 0.00 0.00 174.94 174.42 2jqj s SER 74 N 0.56 6.76 0.44 4.50 0.01 -1.26 -4.20 113.70 120.51 2jqj s SER 74 Ca -0.10 2.46 0.11 0.00 1.31 0.00 0.00 55.95 59.74 2jqj s SER 74 Cb -0.16 -2.60 1.00 0.00 0.21 0.00 0.00 66.02 64.47 2jqj s SER 74 CO 0.04 -0.67 2.05 0.74 0.41 0.00 0.00 173.24 175.80 2jqj h THR 75 N 3.97 1.01 -0.27 1.44 2.02 -1.92 -1.50 112.91 117.67 2jqj h THR 75 Ca -0.43 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2jqj h THR 75 Cb 1.21 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2jqj h THR 75 CO 0.84 0.07 0.00 0.49 0.37 0.00 0.00 175.52 177.29 2jqj n PHE 76 N -4.48 0.56 -0.00 3.16 3.72 -1.26 -4.43 117.46 114.73 2jqj n PHE 76 Ca 0.04 -0.66 -0.00 0.00 -0.05 0.00 0.00 57.45 56.79 2jqj n PHE 76 Cb 0.17 -0.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.04 -0.00 -3.62 1.38 -0.00 -0.56 -4.69 115.22 107.69 2jqj n HIS 77 Ca 0.14 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.23 2jqj n HIS 77 Cb 0.58 -0.07 -0.02 0.00 -0.12 0.00 0.00 29.99 30.36 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 -3.18 -1.37 -0.01 1.57 0.00 -1.18 -4.19 121.76 113.41 2jqj s ALA 78 Ca -0.00 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.14 2jqj s ALA 78 Cb 0.00 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 2jqj s ALA 78 CO 0.00 -0.87 -0.21 -1.83 0.00 0.00 0.00 175.76 172.86 2jqj s GLU 79 N -3.83 1.70 -0.09 0.00 -1.05 -0.69 -1.23 118.70 113.52 2jqj s GLU 79 Ca 0.06 -0.77 0.04 0.00 -0.15 0.00 0.00 54.97 54.15 2jqj s GLU 79 Cb -0.03 -1.66 -0.00 0.00 -0.44 0.00 0.00 34.13 32.00 2jqj s GLU 79 CO -0.05 0.45 -0.23 -0.06 0.95 0.00 0.00 175.26 176.32 2jqj s PHE 80 N -0.51 2.56 -0.33 4.83 0.40 0.32 -2.04 117.98 123.22 2jqj s PHE 80 Ca 0.08 -0.94 -0.16 0.00 -0.60 0.00 0.00 56.93 55.31 2jqj s PHE 80 Cb -0.08 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2jqj s PHE 80 CO -0.01 -0.35 0.43 -1.01 0.70 0.00 0.00 175.22 174.98 2jqj s HIS 81 N 0.23 3.21 -0.36 0.36 3.76 -0.64 0.19 115.29 122.02 2jqj s HIS 81 Ca -0.15 0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 54.84 2jqj s HIS 81 Cb -0.17 -2.75 0.04 0.00 1.11 0.00 0.00 32.58 30.80 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 2.19 4.60 -0.02 0.89 0.20 -1.01 -1.46 118.68 124.07 2jqj s LEU 82 Ca 0.16 -1.10 0.07 0.00 0.69 0.00 0.00 54.13 53.95 2jqj s LEU 82 Cb -0.16 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2jqj s LEU 82 CO 0.12 -0.38 -0.23 -0.76 -0.29 0.00 0.00 176.35 174.81 2jqj s LEU 83 N 1.48 2.05 -0.21 -0.68 1.02 -1.14 -2.02 118.68 119.18 2jqj s LEU 83 Ca 0.01 -0.42 -0.04 0.00 0.02 0.00 0.00 54.13 53.70 2jqj s LEU 83 Cb -0.20 -1.18 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 2jqj s LEU 83 CO 0.05 0.28 -0.05 -1.58 0.02 0.00 0.00 176.35 175.07 2jqj s GLN 84 N -0.56 3.39 -0.05 1.70 -0.44 -1.26 -2.97 119.66 119.47 2jqj s GLN 84 Ca 0.09 -0.62 0.02 0.00 -2.50 0.00 0.00 55.36 52.34 2jqj s GLN 84 Cb -0.09 -2.98 0.02 0.00 -1.64 0.00 0.00 33.01 28.32 2jqj s GLN 84 CO -0.01 -0.15 -0.07 1.41 0.50 0.00 0.00 175.29 176.96 2jqj s MET 85 N 1.36 1.14 -0.18 1.67 1.75 -1.09 -5.05 119.30 118.90 2jqj s MET 85 Ca 0.04 -0.22 -0.05 0.00 -1.25 0.00 0.00 55.69 54.21 2jqj s MET 85 Cb -0.14 -1.03 -0.03 0.00 2.84 0.00 0.00 34.83 36.47 2jqj s MET 85 CO -0.03 -0.03 0.01 0.16 -0.65 0.00 0.00 175.02 174.48 2jqj s ASP 86 N 0.79 5.09 -0.03 1.11 -4.77 -1.26 -1.85 116.67 115.75 2jqj s ASP 86 Ca -0.13 -0.08 0.03 0.00 -3.30 0.00 0.00 52.55 49.08 2jqj s ASP 86 Cb -0.15 -1.86 -0.00 0.00 -1.09 0.00 0.00 42.92 39.83 2jqj s ASP 86 CO 0.02 0.14 -0.12 -0.69 0.70 0.00 0.00 175.17 175.22 2jqj s VAL 87 N 0.53 1.03 0.00 2.11 1.01 -1.19 -4.88 120.40 119.01 2jqj s VAL 87 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2jqj s VAL 87 Cb -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2jqj s VAL 87 CO 0.02 0.31 0.00 -0.67 0.00 0.00 0.00 175.10 174.76 2jqj n ASP 88 N 3.18 0.00 0.00 3.32 -0.08 -1.26 -3.08 116.55 118.63 2jqj n ASP 88 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2jqj n ASP 88 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 2.40 0.00 -4.72 1.67 2.85 -1.26 -5.13 115.26 111.07 2jqj n ASN 89 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 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 3.71 -0.07 1.20 0.40 -1.18 -5.02 117.98 116.04 2jqj s PHE 90 Ca 0.00 1.67 -0.27 0.00 -0.60 0.00 0.00 56.93 57.73 2jqj s PHE 90 Cb 0.00 -3.04 -0.03 0.00 0.51 0.00 0.00 43.02 40.46 2jqj s PHE 90 CO 0.00 0.09 0.87 -0.65 0.70 0.00 0.00 175.22 176.23 2jqj s GLN 91 N 0.58 4.45 -0.01 0.44 -0.21 -1.26 -3.18 119.66 120.47 2jqj s GLN 91 Ca 0.48 1.17 0.04 0.00 0.02 0.00 0.00 55.36 57.07 2jqj s GLN 91 Cb -0.21 -3.49 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 2jqj s GLN 91 CO 0.27 -0.10 -0.11 1.03 -2.12 0.00 0.00 175.29 174.25 2jqj s ARG 92 N 1.30 2.43 -0.13 2.91 0.52 -0.77 -5.00 118.95 120.21 2jqj s ARG 92 Ca 0.44 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2jqj s ARG 92 Cb -0.19 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 2jqj s ARG 92 CO 0.20 0.60 -0.13 -0.80 0.02 0.00 0.00 175.30 175.19 2jqj s ASN 93 N -1.21 4.02 0.02 0.23 0.02 -1.26 -2.67 114.94 114.09 2jqj s ASN 93 Ca 0.15 -0.33 0.08 0.00 -1.02 0.00 0.00 52.86 51.74 2jqj s ASN 93 Cb -0.11 -1.62 -0.02 0.00 0.02 0.00 0.00 41.25 39.52 2jqj s ASN 93 CO 0.05 0.16 -0.25 -0.76 0.02 0.00 0.00 177.10 176.31 2jqj s LEU 94 N 0.39 2.11 -0.00 0.60 1.43 -1.16 -4.90 118.68 117.16 2jqj s LEU 94 Ca -0.10 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 2jqj s LEU 94 Cb -0.16 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 2jqj s LEU 94 CO 0.05 0.28 -0.21 -0.63 0.23 0.00 0.00 176.35 176.07 2jqj s ILE 95 N -0.70 1.64 -0.06 -0.59 -1.09 -1.16 -2.90 121.20 116.33 2jqj s ILE 95 Ca 0.10 -0.96 0.03 0.00 -2.23 0.00 0.00 60.65 57.60 2jqj s ILE 95 Cb -0.10 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.38 2jqj s ILE 95 CO 0.01 0.40 -0.13 0.21 -1.23 0.00 0.00 174.94 174.19 2jqj s ASN 96 N -0.65 4.08 -0.23 3.58 2.47 -0.54 0.90 114.94 124.56 2jqj s ASN 96 Ca 0.08 -0.20 -0.05 0.00 0.42 0.00 0.00 52.86 53.11 2jqj s ASN 96 Cb -0.08 -0.98 -0.02 0.00 -1.45 0.00 0.00 41.25 38.72 2jqj s ASN 96 CO -0.00 0.32 -0.00 -0.69 -3.72 0.00 0.00 177.10 173.01 2jqj s VAL 97 N -0.58 3.75 -0.10 -5.21 1.01 0.10 -1.63 120.40 117.74 2jqj s VAL 97 Ca 0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2jqj s VAL 97 Cb -0.11 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2jqj s VAL 97 CO 0.01 0.40 -0.07 -0.63 0.00 0.00 0.00 175.10 174.81 2jqj s ILE 98 N 1.43 0.96 -0.15 2.22 1.01 -0.86 -2.76 121.20 123.05 2jqj s ILE 98 Ca 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.44 2jqj s ILE 98 Cb -0.15 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 2jqj s ILE 98 CO -0.00 0.35 -0.14 -1.81 0.00 0.00 0.00 174.94 173.35 2jqj s ASP 99 N 1.64 3.82 -0.40 3.58 1.11 -1.26 -1.70 116.67 123.45 2jqj s ASP 99 Ca 0.03 -0.42 0.06 0.00 0.18 0.00 0.00 52.55 52.40 2jqj s ASP 99 Cb -0.13 -1.59 0.68 0.00 1.07 0.00 0.00 42.92 42.95 2jqj s ASP 99 CO -0.07 0.10 1.86 2.29 1.18 0.00 0.00 175.17 180.53 2jqj n LYS 100 N 3.99 2.63 -2.45 8.23 2.85 -1.26 -5.00 118.16 127.14 2jqj n LYS 100 Ca -0.19 -3.05 -0.02 0.00 -1.05 0.00 0.00 58.31 54.01 2jqj n LYS 100 Cb 0.52 -2.16 -0.02 0.00 -0.65 0.00 0.00 35.03 32.72 2jqj n LYS 100 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jqj n SER 101 N -0.88 -5.76 0.00 -5.58 7.64 -1.26 -5.05 113.62 102.73 2jqj n SER 101 Ca 0.53 1.63 0.00 0.00 1.01 0.00 0.00 58.87 62.03 2jqj n SER 101 Cb 1.56 -4.94 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 2jqj n SER 101 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jqj n ARG 102 N 1.85 0.00 -0.69 1.43 5.12 -1.26 -4.98 116.66 118.13 2jqj n ARG 102 Ca -0.15 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.83 2jqj n ARG 102 Cb 0.24 0.00 0.15 0.00 -1.16 0.00 0.00 32.46 31.69 2jqj n ARG 102 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2jqj n ASN 103 N -1.59 1.58 -1.34 0.55 4.13 -1.26 -5.03 115.26 112.29 2jqj n ASN 103 Ca 0.00 -3.30 0.00 0.00 1.68 0.00 0.00 54.58 52.96 2jqj n ASN 103 Cb 0.00 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 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 -0.79 -4.59 2.90 7.41 0.00 -1.26 -3.47 105.19 105.38 2jqj n GLY 104 Ca 0.15 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.45 0.84 -0.22 2.61 2.01 -1.26 -0.59 115.64 117.59 2jqj s THR 105 Ca 0.00 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2jqj s THR 105 Cb 0.00 -0.87 0.04 0.00 0.01 0.00 0.00 72.50 71.68 2jqj s THR 105 CO 0.00 0.32 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.74 2jqj s PHE 106 N 1.48 3.02 -0.14 4.92 0.40 -0.15 -3.28 117.98 124.22 2jqj s PHE 106 Ca -0.01 -1.99 -0.03 0.00 -0.60 0.00 0.00 56.93 54.31 2jqj s PHE 106 Cb -0.13 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 2jqj s PHE 106 CO -0.04 -0.84 -0.05 0.96 0.70 0.00 0.00 175.22 175.94 2jqj s ILE 107 N 1.20 3.83 -1.69 0.64 -5.25 -0.48 0.01 121.20 119.45 2jqj s ILE 107 Ca -0.02 -0.39 -0.02 0.00 -0.99 0.00 0.00 60.65 59.24 2jqj s ILE 107 Cb -0.17 -2.66 0.00 0.00 2.95 0.00 0.00 42.46 42.59 2jqj s ILE 107 CO -0.09 0.51 0.21 0.59 -1.79 0.00 0.00 174.94 174.37 2jqj n ASN 108 N 3.36 -5.94 -0.21 4.36 3.02 0.29 -0.99 115.26 119.16 2jqj n ASN 108 Ca -0.18 -0.10 -0.03 0.00 -0.03 0.00 0.00 54.58 54.24 2jqj n ASN 108 Cb 0.53 -4.89 -0.01 0.00 -0.61 0.00 0.00 39.78 34.79 2jqj n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqj n GLY 109 N -1.18 0.53 3.04 7.41 0.00 -1.26 -5.00 105.19 108.72 2jqj n GLY 109 Ca -0.20 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 2jqj n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqj s ASN 110 N -2.28 1.70 0.39 1.61 0.01 -0.16 -5.11 114.94 111.10 2jqj s ASN 110 Ca 0.00 -0.28 -0.26 0.00 -0.71 0.00 0.00 52.86 51.61 2jqj s ASN 110 Cb 0.00 -0.65 -0.09 0.00 0.41 0.00 0.00 41.25 40.92 2jqj s ASN 110 CO 0.00 0.06 1.23 -0.60 -1.51 0.00 0.00 177.10 176.28 2jqj s ARG 111 N 0.44 4.06 0.05 -0.60 3.52 -1.26 -1.38 118.95 123.78 2jqj s ARG 111 Ca -0.10 2.00 -0.28 0.00 -0.13 0.00 0.00 55.73 57.21 2jqj s ARG 111 Cb -0.13 -2.76 -0.05 0.00 -1.56 0.00 0.00 34.95 30.45 2jqj s ARG 111 CO 0.03 -0.36 0.91 -0.51 -0.81 0.00 0.00 175.30 174.55 2jqj s LEU 112 N -2.37 4.43 -0.07 -0.88 1.43 -1.21 -4.91 118.68 115.10 2jqj s LEU 112 Ca 0.56 1.63 0.21 0.00 -1.03 0.00 0.00 54.13 55.50 2jqj s LEU 112 Cb -0.34 -3.47 0.38 0.00 0.03 0.00 0.00 46.19 42.79 2jqj s LEU 112 CO 0.44 -0.12 1.15 0.55 0.23 0.00 0.00 176.35 178.61 2jqj n VAL 113 N 3.23 0.27 -4.49 -1.59 3.14 -1.26 -5.02 118.33 112.60 2jqj n VAL 113 Ca 0.02 -1.25 -0.21 0.00 -2.96 0.00 0.00 64.34 59.94 2jqj n VAL 113 Cb 0.50 0.99 -0.15 0.00 -1.06 0.00 0.00 33.84 34.12 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 -0.79 1.01 0.17 1.45 3.01 -1.26 -5.04 119.74 118.29 2jqj s LYS 114 Ca 0.26 -0.39 -0.10 0.00 -1.01 0.00 0.00 55.97 54.74 2jqj s LYS 114 Cb 0.32 -0.95 0.04 0.00 -1.01 0.00 0.00 37.83 36.23 2jqj s LYS 114 CO -0.12 0.20 1.60 0.87 0.51 0.00 0.00 175.35 178.42 2jqj h LYS 115 N 6.07 1.05 -2.74 1.68 6.56 -1.95 -3.36 116.57 123.88 2jqj h LYS 115 Ca -0.33 -0.38 -0.61 0.00 -1.06 0.00 0.00 60.65 58.27 2jqj h LYS 115 Cb 1.17 -0.07 -0.41 0.00 -0.57 0.00 0.00 32.23 32.35 2jqj h LYS 115 CO 0.49 1.08 -0.71 -0.25 -2.06 0.00 0.00 179.45 178.00 2jqj n ASP 116 N -4.15 2.04 -4.77 0.86 8.00 -1.26 -4.62 116.55 112.65 2jqj n ASP 116 Ca 0.02 -2.99 -0.40 0.00 0.71 0.00 0.00 54.79 52.13 2jqj n ASP 116 Cb 0.40 -0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 40.75 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jqj s TYR 117 N -1.17 3.88 -0.28 1.24 5.04 -1.11 -4.94 117.35 120.01 2jqj s TYR 117 Ca 0.29 1.62 -0.12 0.00 -2.44 0.00 0.00 57.07 56.42 2jqj s TYR 117 Cb 0.01 -2.78 -0.05 0.00 0.35 0.00 0.00 41.96 39.49 2jqj s TYR 117 CO -0.16 0.47 0.25 -1.50 -1.34 0.00 0.00 175.55 173.28 2jqj s ILE 118 N -0.96 5.26 -0.06 3.14 1.10 -1.26 -0.72 121.20 127.70 2jqj s ILE 118 Ca 0.36 0.30 -0.03 0.00 -0.51 0.00 0.00 60.65 60.78 2jqj s ILE 118 Cb -0.23 -3.59 -0.04 0.00 0.15 0.00 0.00 42.46 38.75 2jqj s ILE 118 CO 0.26 0.22 0.09 -0.22 -2.11 0.00 0.00 174.94 173.17 2jqj s LEU 119 N 1.87 4.02 0.45 8.50 0.20 0.26 -4.94 118.68 129.04 2jqj s LEU 119 Ca 0.10 0.27 0.03 0.00 0.69 0.00 0.00 54.13 55.21 2jqj s LEU 119 Cb -0.16 -2.13 -0.02 0.00 -0.43 0.00 0.00 46.19 43.45 2jqj s LEU 119 CO 0.11 0.34 0.07 -0.54 -0.29 0.00 0.00 176.35 176.04 2jqj s LYS 120 N -1.31 2.05 0.54 1.98 1.02 -1.26 -2.97 119.74 119.78 2jqj s LYS 120 Ca 0.18 -2.28 -0.22 0.00 0.02 0.00 0.00 55.97 53.68 2jqj s LYS 120 Cb -0.12 -1.03 -0.05 0.00 -0.52 0.00 0.00 37.83 36.11 2jqj s LYS 120 CO 0.08 -0.42 1.31 0.54 -0.92 0.00 0.00 175.35 175.94 2jqj s ASN 121 N -3.73 5.40 -0.65 2.83 2.20 -1.26 -3.69 114.94 116.03 2jqj s ASN 121 Ca 0.16 2.64 -0.01 0.00 -0.94 0.00 0.00 52.86 54.71 2jqj s ASN 121 Cb 0.02 -2.63 -0.01 0.00 -2.00 0.00 0.00 41.25 36.64 2jqj s ASN 121 CO 0.10 -1.47 0.55 0.61 -2.94 0.00 0.00 177.10 173.94 2jqj n GLY 122 N 0.67 -0.05 2.99 0.45 0.00 -1.00 -5.03 105.19 103.22 2jqj n GLY 122 Ca 0.10 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.65 2.19 -0.00 1.61 1.11 -1.18 -5.00 116.67 111.74 2jqj s ASP 123 Ca 0.05 -0.35 -0.25 0.00 0.18 0.00 0.00 52.55 52.17 2jqj s ASP 123 Cb -0.01 -0.94 -0.04 0.00 1.07 0.00 0.00 42.92 43.00 2jqj s ASP 123 CO 0.41 -0.03 0.77 -0.60 1.18 0.00 0.00 175.17 176.90 2jqj s ARG 124 N 1.19 4.49 -0.07 8.23 3.52 -1.26 -1.08 118.95 133.97 2jqj s ARG 124 Ca -0.04 1.05 0.02 0.00 -0.13 0.00 0.00 55.73 56.63 2jqj s ARG 124 Cb -0.14 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 2jqj s ARG 124 CO -0.03 0.16 -0.11 0.96 -0.81 0.00 0.00 175.30 175.47 2jqj s ILE 125 N 0.40 1.04 -0.14 4.11 -4.36 0.21 0.10 121.20 122.57 2jqj s ILE 125 Ca 0.40 -0.40 -0.01 0.00 -0.26 0.00 0.00 60.65 60.38 2jqj s ILE 125 Cb -0.20 -0.98 -0.02 0.00 1.25 0.00 0.00 42.46 42.52 2jqj s ILE 125 CO 0.22 0.34 -0.12 -0.69 0.24 0.00 0.00 174.94 174.93 2jqj s VAL 126 N 0.86 3.14 -0.27 8.37 1.01 0.10 -1.08 120.40 132.53 2jqj s VAL 126 Ca -0.11 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 2jqj s VAL 126 Cb -0.15 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.95 2jqj s VAL 126 CO 0.01 0.52 -0.06 -0.36 0.00 0.00 0.00 175.10 175.21 2jqj s PHE 127 N 0.39 3.18 0.00 5.22 0.40 -0.15 -0.98 117.98 126.03 2jqj s PHE 127 Ca -0.10 -1.91 0.00 0.00 -0.60 0.00 0.00 56.93 54.32 2jqj s PHE 127 Cb -0.16 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.35 2jqj s PHE 127 CO 0.05 -0.81 0.00 0.41 0.70 0.00 0.00 175.22 175.57 2jqj n GLY 128 N 4.58 2.03 0.00 4.36 0.00 0.25 -3.90 105.19 112.50 2jqj n GLY 128 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.62 118.16 118.59 2jqj n LYS 129 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2jqj n LYS 129 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 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 2.38 -4.56 3.14 3.41 -1.26 -4.92 113.62 111.81 2jqj n SER 130 Ca 0.00 -0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 2jqj n SER 130 Cb 0.00 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 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 9.27 2.72 0.01 0.00 0.15 -1.26 -0.98 113.70 123.62 2jqj s SER 132 Ca 1.03 -0.50 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 2jqj s SER 132 Cb -0.40 -1.20 -0.01 0.00 -1.71 0.00 0.00 66.02 62.70 2jqj s SER 132 CO 0.35 -0.05 0.04 0.72 1.20 0.00 0.00 173.24 175.50 2jqj s PHE 133 N 1.47 0.18 -0.07 3.44 -0.71 -0.24 0.22 117.98 122.27 2jqj s PHE 133 Ca 0.05 -0.39 -0.00 0.00 -1.04 0.00 0.00 56.93 55.55 2jqj s PHE 133 Cb -0.13 -0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 2jqj s PHE 133 CO -0.11 -0.24 -0.04 -1.17 -1.34 0.00 0.00 175.22 172.32 2jqj s LEU 134 N -1.48 3.31 -0.09 -1.99 2.96 -0.63 0.66 118.68 121.43 2jqj s LEU 134 Ca -0.15 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2jqj s LEU 134 Cb -0.09 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2jqj s LEU 134 CO -0.00 0.37 0.10 0.12 -1.32 0.00 0.00 176.35 175.62 2jqj s PHE 135 N -0.84 3.45 0.06 5.38 2.19 -0.24 -2.44 117.98 125.53 2jqj s PHE 135 Ca 0.13 0.39 -0.20 0.00 0.33 0.00 0.00 56.93 57.58 2jqj s PHE 135 Cb -0.11 -1.87 0.04 0.00 -1.31 0.00 0.00 43.02 39.78 2jqj s PHE 135 CO 0.02 0.64 0.46 0.15 1.83 0.00 0.00 175.22 178.32 2jqj s LYS 136 N -1.17 0.99 0.13 10.12 1.02 -1.16 -2.37 119.74 127.30 2jqj s LYS 136 Ca 0.17 -0.35 -0.23 0.00 0.02 0.00 0.00 55.97 55.58 2jqj s LYS 136 Cb -0.12 0.45 -0.07 0.00 -0.52 0.00 0.00 37.83 37.56 2jqj s LYS 136 CO 0.06 -0.36 0.69 0.71 -0.92 0.00 0.00 175.35 175.54 2jqj s TYR 137 N -2.63 3.87 -0.55 3.18 2.02 -1.26 -1.78 117.35 120.19 2jqj s TYR 137 Ca -0.04 1.49 0.07 0.00 -0.37 0.00 0.00 57.07 58.22 2jqj s TYR 137 Cb -0.00 -2.66 0.24 0.00 -0.40 0.00 0.00 41.96 39.14 2jqj s TYR 137 CO -0.03 0.55 0.65 0.00 -1.57 0.00 0.00 175.55 175.14 2jqj n ALA 138 N 1.64 3.46 -0.11 3.71 0.00 0.28 -4.88 120.51 124.61 2jqj n ALA 138 Ca -0.08 -4.26 -0.21 0.00 0.00 0.00 0.00 53.44 48.89 2jqj n ALA 138 Cb 0.49 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 2jqj n ALA 138 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jqj n SER 139 N 1.13 1.88 -4.61 0.00 7.64 -1.24 -4.56 113.62 113.87 2jqj n SER 139 Ca 0.27 0.42 -0.30 0.00 1.01 0.00 0.00 58.87 60.27 2jqj n SER 139 Cb 0.45 -0.90 -0.09 0.00 -1.01 0.00 0.00 64.21 62.66 2jqj n SER 139 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jqj s SER 140 N -6.82 4.59 -0.32 6.43 0.15 -1.26 -5.10 113.70 111.36 2jqj s SER 140 Ca -0.30 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.10 2jqj s SER 140 Cb 0.08 -0.96 0.17 0.00 -1.71 0.00 0.00 66.02 63.60 2jqj s SER 140 CO 0.50 0.19 0.49 -0.55 1.20 0.00 0.00 173.24 175.08 2jqj s SER 141 N -2.12 -0.39 0.00 5.45 0.15 -1.26 -5.01 113.70 110.53 2jqj s SER 141 Ca 0.22 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2jqj s SER 141 Cb -0.11 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 2jqj s SER 141 CO 0.14 -0.29 0.00 -1.20 1.20 0.00 0.00 173.24 173.09 2jqj n SER 142 N 5.06 1.63 -3.53 5.45 7.64 -1.26 -4.98 113.62 123.63 2jqj n SER 142 Ca 0.05 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.64 2jqj n SER 142 Cb 0.51 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.59 2jqj n SER 142 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jqj s THR 143 N -1.87 0.54 -0.04 0.44 2.01 -1.26 -4.91 115.64 110.56 2jqj s THR 143 Ca 0.00 -2.08 0.08 0.00 0.31 0.00 0.00 61.69 60.00 2jqj s THR 143 Cb 0.00 -1.39 0.16 0.00 0.01 0.00 0.00 72.50 71.28 2jqj s THR 143 CO 0.00 -0.99 1.09 0.47 -0.69 0.00 0.00 174.62 174.50 2jqj n ASP 144 N 3.74 -0.45 -1.11 3.53 8.00 -1.26 -4.91 116.55 124.09 2jqj n ASP 144 Ca 0.13 -2.02 0.01 0.00 0.71 0.00 0.00 54.79 53.62 2jqj n ASP 144 Cb 0.38 0.16 0.23 0.00 -0.02 0.00 0.00 41.12 41.86 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 -0.02 2.47 -4.54 0.53 5.41 -1.26 -4.99 119.36 116.96 2jqj n ILE 145 Ca -0.17 -2.27 -0.25 0.00 1.00 0.00 0.00 62.75 61.05 2jqj n ILE 145 Cb 0.83 -0.30 -0.10 0.00 -0.71 0.00 0.00 39.64 39.36 2jqj n ILE 145 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2jqj s GLU 146 N -3.05 1.84 0.06 0.38 0.41 -1.26 -5.15 118.70 111.93 2jqj s GLU 146 Ca 0.44 -2.07 -0.09 0.00 -0.41 0.00 0.00 54.97 52.85 2jqj s GLU 146 Cb 0.38 -1.13 -0.05 0.00 -1.78 0.00 0.00 34.13 31.55 2jqj s GLU 146 CO 0.05 -0.21 0.36 -0.80 -0.49 0.00 0.00 175.26 174.16 2jqj s ASN 147 N -3.61 6.59 -0.06 -0.19 0.01 -1.26 -5.06 114.94 111.36 2jqj s ASN 147 Ca 0.31 0.71 -0.30 0.00 -0.71 0.00 0.00 52.86 52.86 2jqj s ASN 147 Cb 0.07 -2.14 -0.03 0.00 0.41 0.00 0.00 41.25 39.56 2jqj s ASN 147 CO 0.15 0.19 1.17 -0.62 -1.51 0.00 0.00 177.10 176.48 2jqj s ASP 148 N -1.77 7.08 -0.43 -1.22 -1.08 -1.26 -4.92 116.67 113.06 2jqj s ASP 148 Ca 0.32 1.78 0.05 0.00 -0.52 0.00 0.00 52.55 54.17 2jqj s ASP 148 Cb -0.14 -2.56 0.56 0.00 -1.46 0.00 0.00 42.92 39.33 2jqj s ASP 148 CO 0.18 -0.56 1.74 -0.67 0.52 0.00 0.00 175.17 176.38 2jqj n ASP 149 N 5.13 4.18 0.00 -0.34 2.03 -1.26 -4.08 116.55 122.20 2jqj n ASP 149 Ca 0.11 -3.72 0.00 0.00 0.52 0.00 0.00 54.79 51.70 2jqj n ASP 149 Cb 0.47 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 2jqj n ASP 149 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2jqj n GLU 150 N -1.07 0.00 -0.07 -0.67 4.07 -1.26 -4.92 120.64 116.73 2jqj n GLU 150 Ca 0.51 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.57 2jqj n GLU 150 Cb 1.23 -0.58 -0.01 0.00 -0.06 0.00 0.00 31.44 32.02 2jqj n GLU 150 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2jqj h LYS 151 N 0.00 0.00 -6.75 5.31 1.63 -2.01 -3.47 116.57 111.27 2jqj h LYS 151 Ca 0.00 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.31 2jqj h LYS 151 Cb 0.97 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.57 2jqj h LYS 151 CO 0.00 0.00 0.17 0.08 -3.45 0.00 0.00 179.45 176.25 2jqj s VAL 152 N -2.12 4.53 -0.31 2.00 1.01 -1.26 -5.06 120.40 119.19 2jqj s VAL 152 Ca -0.12 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.17 2jqj s VAL 152 Cb 0.02 -3.74 0.18 0.00 0.00 0.00 0.00 36.38 32.83 2jqj s VAL 152 CO 0.18 -0.04 0.51 -0.94 0.00 0.00 0.00 175.10 174.81 2jqj s SER 153 N -1.97 -0.58 -0.55 3.32 1.04 -1.26 -4.51 113.70 109.19 2jqj s SER 153 Ca 0.51 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.66 2jqj s SER 153 Cb -0.13 1.53 0.14 0.00 0.10 0.00 0.00 66.02 67.66 2jqj s SER 153 CO 0.19 -0.30 0.30 -0.44 0.98 0.00 0.00 173.24 173.96 2jqj s SER 154 N 2.46 4.42 -0.22 7.02 0.01 -1.26 -5.03 113.70 121.10 2jqj s SER 154 Ca 0.11 -3.12 -0.03 0.00 1.31 0.00 0.00 55.95 54.22 2jqj s SER 154 Cb -0.11 -1.65 0.12 0.00 0.21 0.00 0.00 66.02 64.59 2jqj s SER 154 CO -0.23 -0.22 0.32 -1.61 0.41 0.00 0.00 173.24 171.91 2jqj s GLU 155 N -0.43 0.29 -0.18 12.44 2.02 -1.26 -5.01 118.70 126.56 2jqj s GLU 155 Ca 0.18 0.45 0.21 0.00 0.02 0.00 0.00 54.97 55.83 2jqj s GLU 155 Cb -0.23 -0.68 0.47 0.00 0.10 0.00 0.00 34.13 33.80 2jqj s GLU 155 CO -0.02 -0.62 1.15 0.45 0.02 0.00 0.00 175.26 176.23 2jqj n SER 156 N 5.35 1.79 -4.57 -0.19 2.88 -1.26 -5.07 113.62 112.55 2jqj n SER 156 Ca -0.04 -2.35 -0.34 0.00 -1.33 0.00 0.00 58.87 54.80 2jqj n SER 156 Cb 0.50 -0.41 -0.11 0.00 -0.75 0.00 0.00 64.21 63.44 2jqj n SER 156 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2jqj s ARG 157 N -2.56 3.81 -0.72 -1.46 3.52 -1.26 -5.06 118.95 115.22 2jqj s ARG 157 Ca 0.33 -0.42 -0.20 0.00 -0.13 0.00 0.00 55.73 55.31 2jqj s ARG 157 Cb 0.36 -3.06 0.11 0.00 -1.56 0.00 0.00 34.95 30.79 2jqj s ARG 157 CO -0.07 0.28 0.90 0.45 -0.81 0.00 0.00 175.30 176.04 2jqj s SER 158 N 0.32 6.33 0.00 -2.12 0.15 -1.26 -5.31 113.70 111.81 2jqj s SER 158 Ca -0.00 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.11 2jqj s SER 158 Cb -0.13 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2jqj s SER 158 CO 0.01 -1.17 0.00 0.00 1.20 0.00 0.00 173.24 173.28