#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqj s ARG 20 N 0.00 1.08 0.02 1.97 1.70 -1.26 -5.12 118.95 117.35 2jqj s ARG 20 Ca 0.00 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.35 2jqj s ARG 20 Cb 0.00 -2.33 -0.02 0.00 -0.57 0.00 0.00 34.95 32.03 2jqj s ARG 20 CO 0.00 -0.75 -0.05 -0.65 -1.08 0.00 0.00 175.30 172.78 2jqj s GLN 21 N 1.55 0.38 0.17 3.89 -0.21 -1.26 -5.16 119.66 119.02 2jqj s GLN 21 Ca 0.01 -0.57 -0.20 0.00 0.02 0.00 0.00 55.36 54.62 2jqj s GLN 21 Cb -0.18 -0.11 0.05 0.00 1.00 0.00 0.00 33.01 33.77 2jqj s GLN 21 CO -0.12 0.01 0.56 -0.65 -2.12 0.00 0.00 175.29 172.96 2jqj s GLN 22 N -1.24 1.31 0.08 2.91 -0.21 -1.26 -5.17 119.66 116.08 2jqj s GLN 22 Ca -0.10 -0.66 0.04 0.00 0.02 0.00 0.00 55.36 54.66 2jqj s GLN 22 Cb -0.08 0.55 -0.04 0.00 1.00 0.00 0.00 33.01 34.44 2jqj s GLN 22 CO -0.00 -0.56 0.02 1.03 -2.12 0.00 0.00 175.29 173.66 2jqj s ARG 23 N -3.80 2.67 -0.47 2.91 1.81 -1.26 -5.02 118.95 115.78 2jqj s ARG 23 Ca 0.04 -0.77 0.02 0.00 -1.72 0.00 0.00 55.73 53.30 2jqj s ARG 23 Cb -0.01 -2.61 0.56 0.00 -0.45 0.00 0.00 34.95 32.45 2jqj s ARG 23 CO -0.09 0.56 1.91 0.43 -0.68 0.00 0.00 175.30 177.43 2jqj n SER 24 N 0.60 4.78 -3.52 0.23 7.64 -1.26 -4.91 113.62 117.19 2jqj n SER 24 Ca -0.10 -3.55 -0.15 0.00 1.01 0.00 0.00 58.87 56.08 2jqj n SER 24 Cb 0.52 -0.86 -0.05 0.00 -1.01 0.00 0.00 64.21 62.80 2jqj n SER 24 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2jqj s ASN 25 N -1.25 -0.56 -0.41 6.43 3.84 -1.26 -5.14 114.94 116.59 2jqj s ASN 25 Ca 0.55 0.49 -0.18 0.00 0.21 0.00 0.00 52.86 53.94 2jqj s ASN 25 Cb 0.45 0.48 0.02 0.00 -0.55 0.00 0.00 41.25 41.65 2jqj s ASN 25 CO 0.07 -0.60 0.47 -0.54 -2.79 0.00 0.00 177.10 173.71 2jqj s LYS 26 N -1.67 3.20 0.35 0.43 1.02 -1.26 -5.06 119.74 116.76 2jqj s LYS 26 Ca -0.06 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.03 2jqj s LYS 26 Cb -0.00 -3.94 -0.10 0.00 -0.52 0.00 0.00 37.83 33.27 2jqj s LYS 26 CO 0.03 -0.83 1.25 -1.25 -0.92 0.00 0.00 175.35 173.64 2jqj s PRO 27 N 2.25 4.28 0.23 -1.68 0.04 -1.26 -5.04 135.00 133.82 2jqj s PRO 27 Ca 0.14 2.09 0.07 0.00 0.04 0.00 0.00 61.00 63.34 2jqj s PRO 27 Cb -0.16 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2jqj s PRO 27 CO 0.14 -0.21 0.12 -1.12 0.04 0.00 0.00 177.00 175.98 2jqj s SER 28 N -0.69 5.23 0.10 6.66 0.01 -1.26 -5.12 113.70 118.63 2jqj s SER 28 Ca 0.51 -0.33 -0.08 0.00 1.31 0.00 0.00 55.95 57.36 2jqj s SER 28 Cb -0.37 -1.25 0.03 0.00 0.21 0.00 0.00 66.02 64.64 2jqj s SER 28 CO 0.48 0.00 0.40 -1.20 0.41 0.00 0.00 173.24 173.34 2jqj n SER 29 N -0.87 -0.80 -2.29 2.44 7.64 -1.26 -5.11 113.62 113.37 2jqj n SER 29 Ca -0.08 -1.47 -0.04 0.00 1.01 0.00 0.00 58.87 58.30 2jqj n SER 29 Cb 0.57 1.31 -0.03 0.00 -1.01 0.00 0.00 64.21 65.05 2jqj n SER 29 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jqj n GLU 30 N -0.28 -3.23 0.00 1.43 2.13 -1.26 -4.99 120.64 114.44 2jqj n GLU 30 Ca -0.02 2.58 0.00 0.00 0.66 0.00 0.00 57.16 60.39 2jqj n GLU 30 Cb 0.25 -3.97 0.00 0.00 0.27 0.00 0.00 31.44 27.99 2jqj n GLU 30 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2jqj n TYR 31 N 1.14 0.00 -3.75 4.31 4.02 -1.26 -4.88 117.16 116.73 2jqj n TYR 31 Ca -0.27 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.46 2jqj n TYR 31 Cb 0.42 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.58 2jqj n TYR 31 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2jqj s THR 32 N 0.00 -0.07 0.51 -0.72 -4.23 -1.26 -5.00 115.64 104.87 2jqj s THR 32 Ca 0.00 0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.52 2jqj s THR 32 Cb 0.00 -0.10 -0.06 0.00 1.34 0.00 0.00 72.50 73.67 2jqj s THR 32 CO 0.00 0.10 1.40 0.00 -0.54 0.00 0.00 174.62 175.58 2jqj n LEU 34 N -0.68 -1.05 -4.57 0.00 7.94 -0.92 -4.90 117.00 112.82 2jqj n LEU 34 Ca 0.08 0.24 -0.26 0.00 -1.11 0.00 0.00 56.01 54.96 2jqj n LEU 34 Cb 0.43 1.30 -0.10 0.00 0.53 0.00 0.00 43.42 45.58 2jqj n LEU 34 CO 0.56 -0.31 -0.36 -0.83 -1.11 0.00 0.00 177.39 175.34 2jqj s GLY 35 N -1.64 2.18 0.10 -3.96 0.00 -1.12 0.11 107.32 103.00 2jqj s GLY 35 Ca 0.00 -2.07 0.01 0.00 0.00 0.00 0.00 44.72 42.66 2jqj s GLY 35 CO 0.00 -2.00 -0.04 0.30 0.00 0.00 0.00 173.10 171.36 2jqj s HIS 36 N -2.59 0.86 -0.25 1.90 3.76 -0.82 0.10 115.29 118.26 2jqj s HIS 36 Ca 0.33 -0.99 0.03 0.00 -0.15 0.00 0.00 55.06 54.28 2jqj s HIS 36 Cb 0.02 -0.52 0.06 0.00 1.11 0.00 0.00 32.58 33.25 2jqj s HIS 36 CO 0.17 -0.23 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.20 2jqj s LEU 37 N -3.04 3.22 -0.25 0.89 1.43 -0.39 -2.99 118.68 117.56 2jqj s LEU 37 Ca 0.14 -1.30 -0.14 0.00 -1.03 0.00 0.00 54.13 51.80 2jqj s LEU 37 Cb 0.06 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2jqj s LEU 37 CO -0.04 -0.17 0.35 -0.69 0.23 0.00 0.00 176.35 176.03 2jqj s VAL 38 N 1.15 5.21 -0.37 -1.59 1.01 -0.49 -1.03 120.40 124.29 2jqj s VAL 38 Ca -0.07 0.54 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 2jqj s VAL 38 Cb -0.19 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2jqj s VAL 38 CO -0.06 0.20 0.67 0.20 0.00 0.00 0.00 175.10 176.12 2jqj s ASN 39 N 1.44 6.44 -0.55 3.32 0.01 0.22 0.65 114.94 126.48 2jqj s ASN 39 Ca 0.15 0.12 -0.27 0.00 -0.71 0.00 0.00 52.86 52.15 2jqj s ASN 39 Cb -0.15 -2.34 0.03 0.00 0.41 0.00 0.00 41.25 39.20 2jqj s ASN 39 CO 0.09 -0.65 1.07 -0.76 -1.51 0.00 0.00 177.10 175.34 2jqj s LEU 40 N 2.82 3.75 -0.01 0.60 1.02 -0.52 -2.91 118.68 123.44 2jqj s LEU 40 Ca 0.26 -0.02 0.06 0.00 0.02 0.00 0.00 54.13 54.46 2jqj s LEU 40 Cb -0.14 -3.09 -0.02 0.00 0.02 0.00 0.00 46.19 42.96 2jqj s LEU 40 CO 0.16 -1.33 -0.21 -0.63 0.02 0.00 0.00 176.35 174.37 2jqj s ILE 41 N 4.43 1.63 -1.06 -0.59 1.01 -1.24 -4.73 121.20 120.66 2jqj s ILE 41 Ca 0.38 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.90 2jqj s ILE 41 Cb -0.09 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2jqj s ILE 41 CO 0.24 0.44 1.77 -2.16 0.00 0.00 0.00 174.94 175.23 2jqj s PRO 42 N -0.55 3.06 0.00 2.79 0.04 -1.26 -2.57 135.00 136.52 2jqj s PRO 42 Ca 0.08 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 60.14 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 -0.01 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.45 2jqj n GLY 43 N 6.42 1.86 0.00 0.56 0.00 -1.26 -5.10 105.19 107.67 2jqj n GLY 43 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2jqj n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jqj n LYS 44 N -0.36 -0.96 -3.63 1.61 3.00 -1.06 -5.19 118.16 111.56 2jqj n LYS 44 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 2jqj n LYS 44 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 2jqj n LYS 44 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2jqj s GLU 45 N -0.31 0.14 -0.03 1.64 2.12 -1.26 -3.66 118.70 117.35 2jqj s GLU 45 Ca 0.00 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.35 2jqj s GLU 45 Cb 0.00 0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.48 2jqj s GLU 45 CO 0.00 -0.05 0.00 -1.14 -0.54 0.00 0.00 175.26 173.53 2jqj s GLN 46 N -1.31 0.27 -0.10 4.30 -0.44 -1.14 -4.95 119.66 116.29 2jqj s GLN 46 Ca 0.08 0.07 0.01 0.00 -2.50 0.00 0.00 55.36 53.02 2jqj s GLN 46 Cb -0.01 -0.44 -0.02 0.00 -1.64 0.00 0.00 33.01 30.90 2jqj s GLN 46 CO -0.06 -0.12 -0.12 0.21 0.50 0.00 0.00 175.29 175.71 2jqj s LYS 47 N 0.92 3.02 0.14 1.67 2.20 -1.26 0.73 119.74 127.16 2jqj s LYS 47 Ca -0.09 -0.65 0.10 0.00 -0.36 0.00 0.00 55.97 54.97 2jqj s LYS 47 Cb -0.12 -2.57 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 2jqj s LYS 47 CO -0.02 0.42 -0.24 0.08 -0.36 0.00 0.00 175.35 175.23 2jqj s VAL 48 N -0.19 2.11 -0.17 4.02 1.01 -0.20 -4.92 120.40 122.06 2jqj s VAL 48 Ca 0.01 -1.76 -0.08 0.00 0.00 0.00 0.00 61.98 60.14 2jqj s VAL 48 Cb -0.13 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2jqj s VAL 48 CO 0.03 -0.01 0.12 -1.61 0.00 0.00 0.00 175.10 173.63 2jqj s GLU 49 N -2.17 3.87 -0.12 2.72 8.01 -1.26 -1.26 118.70 128.49 2jqj s GLU 49 Ca 0.13 -0.22 0.01 0.00 0.01 0.00 0.00 54.97 54.91 2jqj s GLU 49 Cb -0.09 -3.29 -0.01 0.00 -4.31 0.00 0.00 34.13 26.43 2jqj s GLU 49 CO 0.06 0.47 -0.17 0.42 0.01 0.00 0.00 175.26 176.05 2jqj s ILE 50 N -0.14 2.72 0.38 -1.63 -1.09 0.29 -4.94 121.20 116.79 2jqj s ILE 50 Ca 0.10 -0.78 0.08 0.00 -2.23 0.00 0.00 60.65 57.81 2jqj s ILE 50 Cb -0.12 -2.12 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 2jqj s ILE 50 CO 0.00 0.53 0.36 0.42 -1.23 0.00 0.00 174.94 175.03 2jqj s THR 51 N 0.39 3.04 -1.44 2.92 -4.23 -1.26 -2.17 115.64 112.91 2jqj s THR 51 Ca -0.13 -1.33 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 2jqj s THR 51 Cb -0.16 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.65 2jqj s THR 51 CO 0.06 -0.07 2.45 0.59 -0.54 0.00 0.00 174.62 177.11 2jqj n ASN 52 N -1.50 7.00 -0.39 3.99 3.02 -1.16 -4.58 115.26 121.63 2jqj n ASN 52 Ca 0.02 -2.90 0.12 0.00 -0.03 0.00 0.00 54.58 51.78 2jqj n ASN 52 Cb 0.61 -1.50 0.50 0.00 -0.61 0.00 0.00 39.78 38.78 2jqj n ASN 52 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jqj n ARG 53 N 3.47 1.53 0.00 3.52 0.63 -1.26 -4.90 116.66 119.65 2jqj n ARG 53 Ca 0.61 -0.78 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 2jqj n ARG 53 Cb 0.29 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.79 2jqj n ARG 53 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2jqj n ASN 54 N -0.02 0.00 -3.89 6.15 4.05 -0.87 -4.78 115.26 115.89 2jqj n ASN 54 Ca 0.17 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 55.05 2jqj n ASN 54 Cb 0.27 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 41.13 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2jqj s VAL 55 N 0.00 0.27 -0.08 3.44 1.01 -1.26 -2.21 120.40 121.56 2jqj s VAL 55 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2jqj s VAL 55 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2jqj s VAL 55 CO 0.00 0.11 -0.17 -0.89 0.00 0.00 0.00 175.10 174.15 2jqj s THR 56 N 0.33 1.52 -0.13 3.92 2.01 0.53 -4.89 115.64 118.93 2jqj s THR 56 Ca -0.03 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 2jqj s THR 56 Cb -0.06 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 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 0.56 4.82 -0.09 -0.82 -4.23 -1.26 0.03 115.64 114.65 2jqj s THR 57 Ca -0.16 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 2jqj s THR 57 Cb -0.17 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.58 2jqj s THR 57 CO 0.05 0.55 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.90 2jqj s ILE 58 N -0.44 1.46 -1.10 2.99 1.01 -0.67 0.12 121.20 124.56 2jqj s ILE 58 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.10 2jqj s ILE 58 Cb -0.12 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.04 2jqj s ILE 58 CO 0.02 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2jqj n GLY 59 N 3.89 -0.71 0.13 6.18 0.00 -1.00 -2.72 105.19 110.96 2jqj n GLY 59 Ca -0.21 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 0.68 -1.66 1.61 0.63 -1.18 -2.83 116.66 113.90 2jqj n ARG 60 Ca 0.00 0.20 -0.48 0.00 -0.92 0.00 0.00 57.85 56.65 2jqj n ARG 60 Cb 0.00 -1.58 -0.05 0.00 0.45 0.00 0.00 32.46 31.28 2jqj n ARG 60 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2jqj n SER 61 N -3.39 2.93 0.34 6.15 3.41 -1.26 -4.82 113.62 116.98 2jqj n SER 61 Ca -0.42 1.06 0.23 0.00 -0.26 0.00 0.00 58.87 59.48 2jqj n SER 61 Cb 1.00 -1.37 1.21 0.00 -0.26 0.00 0.00 64.21 64.80 2jqj n SER 61 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2jqj h ARG 62 N 6.54 0.00 0.00 4.33 0.11 -1.98 0.06 114.38 123.43 2jqj h ARG 62 Ca -0.46 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.55 2jqj h ARG 62 Cb 1.27 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 2jqj h ARG 62 CO 0.89 0.00 -0.34 0.77 0.10 0.00 0.00 179.97 181.38 2jqj h SER 63 N 0.00 0.00 -3.77 0.08 0.02 -1.99 -3.45 113.55 104.45 2jqj h SER 63 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2jqj h SER 63 Cb 0.02 0.00 0.16 0.00 0.14 0.00 0.00 62.40 62.71 2jqj h SER 63 CO -0.00 0.34 0.30 0.00 -1.14 0.00 0.00 176.83 176.33 2jqj h ASP 65 N 0.65 0.60 -3.70 0.00 1.82 0.56 -3.43 116.42 112.93 2jqj h ASP 65 Ca -0.49 -0.08 -0.58 0.00 -0.39 0.00 0.00 57.03 55.49 2jqj h ASP 65 Cb 1.35 -0.15 -0.32 0.00 0.68 0.00 0.00 39.33 40.88 2jqj h ASP 65 CO 0.52 0.51 -0.84 -0.69 -1.61 0.00 0.00 179.24 177.13 2jqj s VAL 66 N -5.90 1.51 -0.37 2.25 1.01 0.25 -4.90 120.40 114.25 2jqj s VAL 66 Ca -0.13 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 2jqj s VAL 66 Cb 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2jqj s VAL 66 CO 0.75 0.43 0.26 0.27 0.00 0.00 0.00 175.10 176.81 2jqj s ILE 67 N 0.22 5.18 0.00 2.22 -4.36 -1.26 -2.37 121.20 120.83 2jqj s ILE 67 Ca -0.09 -0.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 2jqj s ILE 67 Cb -0.14 -3.77 0.00 0.00 1.25 0.00 0.00 42.46 39.80 2jqj s ILE 67 CO 0.04 -0.16 0.01 0.18 0.24 0.00 0.00 174.94 175.25 2jqj n LEU 68 N 5.11 0.50 0.00 0.37 4.77 -1.13 -4.97 117.00 121.66 2jqj n LEU 68 Ca -0.12 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2jqj n LEU 68 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2jqj n LEU 68 CO 0.38 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.20 2jqj n SER 69 N -0.09 0.00 0.00 -1.43 2.88 -1.26 -5.10 113.62 108.62 2jqj n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jqj n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jqj n SER 69 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jqj n GLU 70 N 0.00 0.00 -0.31 -1.46 -0.58 -1.26 -4.88 120.64 112.14 2jqj n GLU 70 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 2jqj n GLU 70 Cb 0.00 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 30.95 2jqj n GLU 70 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2jqj h PRO 71 N 0.00 1.23 0.00 3.49 0.11 -2.00 -3.19 132.00 131.64 2jqj h PRO 71 Ca 0.00 -0.18 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 2jqj h PRO 71 Cb 0.00 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 2jqj h PRO 71 CO 0.00 0.94 -0.31 -0.25 -0.21 0.00 0.00 178.00 178.18 2jqj n ASP 72 N -4.31 1.88 -4.45 -2.05 8.00 -1.26 -5.01 116.55 109.36 2jqj n ASP 72 Ca 0.08 -3.39 -0.36 0.00 0.71 0.00 0.00 54.79 51.84 2jqj n ASP 72 Cb 0.14 -0.46 -0.12 0.00 -0.02 0.00 0.00 41.12 40.65 2jqj n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jqj s ILE 73 N -2.80 4.22 0.26 0.53 1.10 -1.21 -4.93 121.20 118.37 2jqj s ILE 73 Ca 0.34 -0.21 -0.29 0.00 -0.51 0.00 0.00 60.65 59.97 2jqj s ILE 73 Cb 0.32 -2.95 -0.09 0.00 0.15 0.00 0.00 42.46 39.88 2jqj s ILE 73 CO -0.03 0.37 1.26 -0.44 -2.11 0.00 0.00 174.94 173.99 2jqj s SER 74 N 1.42 6.93 0.20 4.50 0.01 -1.26 -3.72 113.70 121.78 2jqj s SER 74 Ca 0.05 2.47 -0.10 0.00 1.31 0.00 0.00 55.95 59.68 2jqj s SER 74 Cb -0.15 -2.63 0.20 0.00 0.21 0.00 0.00 66.02 63.66 2jqj s SER 74 CO 0.03 -0.45 1.82 0.74 0.41 0.00 0.00 173.24 175.79 2jqj h THR 75 N 3.37 1.02 -0.65 1.44 2.02 -1.90 -1.87 112.91 116.34 2jqj h THR 75 Ca -0.47 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2jqj h THR 75 Cb 1.22 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2jqj h THR 75 CO 0.71 0.13 0.00 0.49 0.37 0.00 0.00 175.52 177.22 2jqj n PHE 76 N -4.75 1.40 0.00 3.16 3.72 -1.26 -4.16 117.46 115.57 2jqj n PHE 76 Ca 0.07 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 2jqj n PHE 76 Cb 0.13 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 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 1.15 0.00 -3.72 1.38 -0.00 -0.71 -4.64 115.22 108.69 2jqj n HIS 77 Ca 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.88 2jqj n HIS 77 Cb 0.85 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.99 30.76 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 -3.01 -0.95 -0.02 1.57 0.00 -1.16 -3.83 121.76 114.36 2jqj s ALA 78 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 51.83 2jqj s ALA 78 Cb 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2jqj s ALA 78 CO 0.00 -0.79 -0.18 -1.21 0.00 0.00 0.00 175.76 173.58 2jqj s GLU 79 N -3.86 1.55 -0.09 0.00 2.02 -0.94 -1.67 118.70 115.70 2jqj s GLU 79 Ca 0.08 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.47 2jqj s GLU 79 Cb -0.01 -1.46 -0.00 0.00 0.10 0.00 0.00 34.13 32.76 2jqj s GLU 79 CO -0.04 0.36 -0.23 -0.06 0.02 0.00 0.00 175.26 175.31 2jqj s PHE 80 N -0.33 2.55 -0.33 1.61 0.40 0.10 -1.29 117.98 120.70 2jqj s PHE 80 Ca 0.05 -0.96 -0.15 0.00 -0.60 0.00 0.00 56.93 55.27 2jqj s PHE 80 Cb -0.08 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 2jqj s PHE 80 CO -0.00 -0.36 0.35 -1.01 0.70 0.00 0.00 175.22 174.89 2jqj s HIS 81 N 0.24 3.22 -0.36 0.36 3.76 -0.77 0.20 115.29 121.94 2jqj s HIS 81 Ca -0.15 0.04 -0.09 0.00 -0.15 0.00 0.00 55.06 54.71 2jqj s HIS 81 Cb -0.17 -2.63 0.03 0.00 1.11 0.00 0.00 32.58 30.93 2jqj s HIS 81 CO 0.08 -0.38 0.16 -1.17 -0.85 0.00 0.00 174.74 172.58 2jqj s LEU 82 N 1.99 4.55 -0.02 0.89 0.20 -0.94 -2.23 118.68 123.12 2jqj s LEU 82 Ca 0.12 -1.08 0.07 0.00 0.69 0.00 0.00 54.13 53.93 2jqj s LEU 82 Cb -0.16 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2jqj s LEU 82 CO 0.11 -0.36 -0.25 -0.76 -0.29 0.00 0.00 176.35 174.80 2jqj s LEU 83 N 1.48 2.14 -0.02 -0.68 1.02 -1.17 -2.05 118.68 119.39 2jqj s LEU 83 Ca 0.00 -0.44 0.06 0.00 0.02 0.00 0.00 54.13 53.78 2jqj s LEU 83 Cb -0.19 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 44.63 2jqj s LEU 83 CO 0.05 0.32 -0.21 -1.58 0.02 0.00 0.00 176.35 174.95 2jqj s GLN 84 N -0.62 1.77 -0.21 1.70 -0.44 -1.26 -2.86 119.66 117.73 2jqj s GLN 84 Ca 0.10 -0.74 -0.14 0.00 -2.50 0.00 0.00 55.36 52.08 2jqj s GLN 84 Cb -0.10 -1.67 0.06 0.00 -1.64 0.00 0.00 33.01 29.66 2jqj s GLN 84 CO -0.01 0.42 0.53 1.41 0.50 0.00 0.00 175.29 178.14 2jqj s MET 85 N -0.40 0.55 -0.17 1.67 1.75 -0.89 -5.01 119.30 116.80 2jqj s MET 85 Ca 0.06 0.91 -0.05 0.00 -1.25 0.00 0.00 55.69 55.35 2jqj s MET 85 Cb -0.09 0.12 -0.03 0.00 2.84 0.00 0.00 34.83 37.67 2jqj s MET 85 CO -0.00 -0.13 0.01 0.16 -0.65 0.00 0.00 175.02 174.40 2jqj s ASP 86 N 1.16 5.10 -0.01 1.11 -4.77 -1.26 0.45 116.67 118.44 2jqj s ASP 86 Ca -0.07 -0.07 0.04 0.00 -3.30 0.00 0.00 52.55 49.14 2jqj s ASP 86 Cb -0.06 -1.86 -0.01 0.00 -1.09 0.00 0.00 42.92 39.91 2jqj s ASP 86 CO -0.11 0.15 -0.12 0.68 0.70 0.00 0.00 175.17 176.47 2jqj s VAL 87 N 0.51 0.94 0.00 2.11 -7.23 -1.03 -4.92 120.40 110.79 2jqj s VAL 87 Ca -0.01 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 2jqj s VAL 87 Cb -0.14 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.01 2jqj s VAL 87 CO 0.02 0.27 0.00 0.47 -0.31 0.00 0.00 175.10 175.55 2jqj n ASP 88 N 2.88 0.00 -1.42 4.85 8.00 -1.26 -2.23 116.55 127.38 2jqj n ASP 88 Ca -0.15 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.35 2jqj n ASP 88 Cb 0.55 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.66 2jqj n ASP 88 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jqj n ASN 89 N 1.69 -0.13 -2.66 -2.24 5.15 -1.26 -5.16 115.26 110.64 2jqj n ASN 89 Ca 0.00 -0.95 -0.12 0.00 -0.60 0.00 0.00 54.58 52.91 2jqj n ASN 89 Cb 0.00 0.06 -0.03 0.00 -0.53 0.00 0.00 39.78 39.28 2jqj n ASN 89 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2jqj n PHE 90 N -0.12 -1.24 -4.91 1.20 3.72 -0.95 -5.16 117.46 110.00 2jqj n PHE 90 Ca -0.02 -1.96 -0.31 0.00 -0.05 0.00 0.00 57.45 55.11 2jqj n PHE 90 Cb 0.49 0.44 -0.17 0.00 -0.94 0.00 0.00 39.48 39.31 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 -2.68 2.83 -0.30 -1.08 -2.07 -1.26 -2.47 119.66 112.63 2jqj s GLN 91 Ca 0.24 -0.79 -0.02 0.00 -1.82 0.00 0.00 55.36 52.97 2jqj s GLN 91 Cb -0.01 -2.21 0.04 0.00 -1.09 0.00 0.00 33.01 29.74 2jqj s GLN 91 CO 0.18 0.08 0.00 1.03 -1.32 0.00 0.00 175.29 175.26 2jqj s ARG 92 N 0.59 2.53 -0.14 9.60 0.52 0.17 -4.98 118.95 127.23 2jqj s ARG 92 Ca -0.14 -1.20 -0.00 0.00 -0.52 0.00 0.00 55.73 53.87 2jqj s ARG 92 Cb -0.17 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 2jqj s ARG 92 CO 0.04 -0.59 -0.13 -0.80 0.02 0.00 0.00 175.30 173.85 2jqj s ASN 93 N 1.28 4.02 -0.04 0.23 0.01 -1.26 -2.09 114.94 117.09 2jqj s ASN 93 Ca -0.04 -0.34 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 2jqj s ASN 93 Cb -0.19 -1.62 -0.00 0.00 0.41 0.00 0.00 41.25 39.85 2jqj s ASN 93 CO -0.01 0.15 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.81 2jqj s LEU 94 N 0.45 1.92 -0.04 0.60 1.02 -1.14 -5.01 118.68 116.49 2jqj s LEU 94 Ca -0.09 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 53.77 2jqj s LEU 94 Cb -0.16 -0.91 -0.03 0.00 0.02 0.00 0.00 46.19 45.12 2jqj s LEU 94 CO 0.05 0.15 -0.13 -0.63 0.02 0.00 0.00 176.35 175.81 2jqj s ILE 95 N -0.03 3.14 0.04 -0.59 1.09 -1.14 -3.06 121.20 120.64 2jqj s ILE 95 Ca -0.02 -0.76 0.09 0.00 -1.10 0.00 0.00 60.65 58.86 2jqj s ILE 95 Cb -0.10 -2.26 -0.03 0.00 -1.06 0.00 0.00 42.46 39.01 2jqj s ILE 95 CO 0.01 0.54 -0.26 0.21 -0.10 0.00 0.00 174.94 175.35 2jqj s ASN 96 N -0.89 3.20 -0.15 3.58 2.47 -0.95 0.10 114.94 122.31 2jqj s ASN 96 Ca 0.12 -0.57 -0.03 0.00 0.42 0.00 0.00 52.86 52.81 2jqj s ASN 96 Cb -0.11 -0.32 -0.03 0.00 -1.45 0.00 0.00 41.25 39.35 2jqj s ASN 96 CO 0.02 0.27 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.92 2jqj s VAL 97 N -0.79 3.75 -0.12 -5.21 1.01 0.11 -1.84 120.40 117.31 2jqj s VAL 97 Ca 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2jqj s VAL 97 Cb -0.10 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2jqj s VAL 97 CO 0.02 0.50 -0.16 -0.63 0.00 0.00 0.00 175.10 174.83 2jqj s ILE 98 N 0.36 1.60 -0.18 2.22 -1.09 -0.41 -2.91 121.20 120.78 2jqj s ILE 98 Ca -0.05 -0.69 -0.08 0.00 -2.23 0.00 0.00 60.65 57.59 2jqj s ILE 98 Cb -0.14 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 2jqj s ILE 98 CO 0.03 0.46 0.10 -1.81 -1.23 0.00 0.00 174.94 172.49 2jqj s ASP 99 N 1.07 5.94 -0.01 3.58 1.01 -1.26 -2.22 116.67 124.78 2jqj s ASP 99 Ca -0.04 0.19 0.15 0.00 0.71 0.00 0.00 52.55 53.56 2jqj s ASP 99 Cb -0.15 -2.01 0.46 0.00 1.01 0.00 0.00 42.92 42.23 2jqj s ASP 99 CO -0.04 0.21 1.38 0.29 0.21 0.00 0.00 175.17 177.22 2jqj n LYS 100 N 3.31 2.27 -3.18 8.23 5.02 -1.25 -4.95 118.16 127.61 2jqj n LYS 100 Ca -0.17 -1.86 -0.09 0.00 -2.02 0.00 0.00 58.31 54.17 2jqj n LYS 100 Cb 0.52 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 34.14 2jqj n LYS 100 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jqj n SER 101 N 0.97 -7.11 -3.64 4.39 7.64 -1.26 -5.04 113.62 109.57 2jqj n SER 101 Ca 0.17 -0.45 -0.08 0.00 1.01 0.00 0.00 58.87 59.52 2jqj n SER 101 Cb 0.46 -5.23 -0.07 0.00 -1.01 0.00 0.00 64.21 58.36 2jqj n SER 101 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2jqj s ARG 102 N -3.84 0.69 0.00 1.43 6.06 -1.26 -4.91 118.95 117.12 2jqj s ARG 102 Ca 0.27 1.10 0.00 0.00 -2.50 0.00 0.00 55.73 54.60 2jqj s ARG 102 Cb -0.04 0.19 0.00 0.00 0.06 0.00 0.00 34.95 35.16 2jqj s ARG 102 CO 0.75 -0.13 0.00 0.09 -2.50 0.00 0.00 175.30 173.51 2jqj n ASN 103 N 3.87 -2.59 -1.76 -2.12 4.13 -1.26 -4.65 115.26 110.88 2jqj n ASN 103 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 2jqj n ASN 103 Cb 0.58 -1.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.17 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 -1.45 -4.95 2.91 7.41 0.00 -1.26 -3.78 105.19 104.07 2jqj n GLY 104 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.09 0.77 -0.16 2.61 2.01 -1.26 -2.21 115.64 115.32 2jqj s THR 105 Ca 0.00 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.80 2jqj s THR 105 Cb 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2jqj s THR 105 CO 0.00 0.30 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.70 2jqj s PHE 106 N 1.21 2.77 -0.04 4.92 0.08 -0.30 -3.88 117.98 122.74 2jqj s PHE 106 Ca -0.06 -1.22 0.06 0.00 0.12 0.00 0.00 56.93 55.83 2jqj s PHE 106 Cb -0.14 -1.89 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 2jqj s PHE 106 CO -0.02 -0.58 -0.23 -1.50 -0.10 0.00 0.00 175.22 172.80 2jqj s ILE 107 N 0.95 1.84 -1.62 0.64 1.10 -0.52 -0.67 121.20 122.91 2jqj s ILE 107 Ca -0.03 -0.97 0.00 0.00 -0.51 0.00 0.00 60.65 59.14 2jqj s ILE 107 Cb -0.15 -1.55 0.00 0.00 0.15 0.00 0.00 42.46 40.92 2jqj s ILE 107 CO -0.03 0.52 0.00 0.59 -2.11 0.00 0.00 174.94 173.91 2jqj n ASN 108 N 2.81 -5.35 0.00 4.50 5.03 -1.06 -1.41 115.26 119.77 2jqj n ASN 108 Ca -0.17 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.31 2jqj n ASN 108 Cb 0.52 -4.42 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 -0.99 0.31 3.12 7.41 0.00 -1.26 -4.99 105.19 108.80 2jqj n GLY 109 Ca -0.22 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 -2.03 1.22 0.38 1.61 0.01 -0.50 -5.14 114.94 110.49 2jqj s ASN 110 Ca 0.00 -0.66 -0.26 0.00 -0.71 0.00 0.00 52.86 51.22 2jqj s ASN 110 Cb 0.00 0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.58 2jqj s ASN 110 CO 0.00 -0.21 1.23 -0.13 -1.51 0.00 0.00 177.10 176.49 2jqj s ARG 111 N -2.08 4.11 0.26 -0.60 0.52 -1.26 -1.44 118.95 118.46 2jqj s ARG 111 Ca -0.03 2.01 -0.29 0.00 -0.52 0.00 0.00 55.73 56.90 2jqj s ARG 111 Cb -0.07 -2.80 -0.09 0.00 0.52 0.00 0.00 34.95 32.50 2jqj s ARG 111 CO 0.00 -0.32 1.01 -1.17 0.02 0.00 0.00 175.30 174.84 2jqj s LEU 112 N -2.29 4.59 0.00 2.53 2.96 -1.25 -4.88 118.68 120.34 2jqj s LEU 112 Ca 0.55 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 56.54 2jqj s LEU 112 Cb -0.35 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.70 2jqj s LEU 112 CO 0.45 0.01 0.00 1.33 -1.32 0.00 0.00 176.35 176.82 2jqj n VAL 113 N 1.30 0.00 -0.82 1.68 0.24 -1.26 -5.09 118.33 114.38 2jqj n VAL 113 Ca -0.01 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.02 2jqj n VAL 113 Cb 0.46 -0.74 0.23 0.00 -1.47 0.00 0.00 33.84 32.32 2jqj n VAL 113 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2jqj n LYS 114 N -2.50 -3.26 -0.05 7.34 4.76 -1.26 -5.01 118.16 118.19 2jqj n LYS 114 Ca 0.00 -1.49 -0.04 0.00 -2.87 0.00 0.00 58.31 53.91 2jqj n LYS 114 Cb 0.35 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.97 2jqj n LYS 114 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2jqj n LYS 115 N -4.65 2.15 -3.85 1.97 3.00 -1.26 -4.83 118.16 110.70 2jqj n LYS 115 Ca 0.13 -0.01 -0.29 0.00 -0.00 0.00 0.00 58.31 58.14 2jqj n LYS 115 Cb 0.52 -1.26 -0.13 0.00 0.00 0.00 0.00 35.03 34.17 2jqj n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jqj s ASP 116 N -4.15 4.29 0.18 3.14 1.11 -1.26 -4.66 116.67 115.32 2jqj s ASP 116 Ca -0.05 -3.44 -0.27 0.00 0.18 0.00 0.00 52.55 48.97 2jqj s ASP 116 Cb 0.03 -1.48 -0.08 0.00 1.07 0.00 0.00 42.92 42.47 2jqj s ASP 116 CO 0.42 -0.15 0.85 -0.47 1.18 0.00 0.00 175.17 177.00 2jqj s TYR 117 N -0.83 3.92 -0.26 4.23 6.14 -1.15 -4.92 117.35 124.48 2jqj s TYR 117 Ca 0.23 1.74 -0.12 0.00 0.64 0.00 0.00 57.07 59.56 2jqj s TYR 117 Cb -0.12 -2.87 -0.05 0.00 0.42 0.00 0.00 41.96 39.34 2jqj s TYR 117 CO -0.11 0.45 0.24 -1.50 0.64 0.00 0.00 175.55 175.28 2jqj s ILE 118 N -0.99 5.28 -0.15 3.14 1.10 -1.26 -0.71 121.20 127.60 2jqj s ILE 118 Ca 0.39 0.31 -0.07 0.00 -0.51 0.00 0.00 60.65 60.77 2jqj s ILE 118 Cb -0.24 -3.58 -0.04 0.00 0.15 0.00 0.00 42.46 38.75 2jqj s ILE 118 CO 0.28 0.25 0.08 -0.22 -2.11 0.00 0.00 174.94 173.22 2jqj s LEU 119 N 1.63 3.94 0.42 8.50 2.96 0.29 -4.96 118.68 131.47 2jqj s LEU 119 Ca 0.10 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 2jqj s LEU 119 Cb -0.15 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2jqj s LEU 119 CO 0.09 0.26 0.12 -0.54 -1.32 0.00 0.00 176.35 174.96 2jqj s LYS 120 N -0.17 1.96 0.47 1.98 1.02 -1.26 -2.90 119.74 120.83 2jqj s LYS 120 Ca 0.08 -2.20 -0.23 0.00 0.02 0.00 0.00 55.97 53.64 2jqj s LYS 120 Cb -0.12 -0.68 -0.09 0.00 -0.52 0.00 0.00 37.83 36.42 2jqj s LYS 120 CO 0.01 -0.47 1.10 -1.71 -0.92 0.00 0.00 175.35 173.35 2jqj n ASN 121 N -1.32 1.61 -2.89 2.83 5.15 -1.26 -2.93 115.26 116.45 2jqj n ASN 121 Ca -0.07 1.00 -0.16 0.00 -0.60 0.00 0.00 54.58 54.75 2jqj n ASN 121 Cb 0.65 -1.42 0.07 0.00 -0.53 0.00 0.00 39.78 38.55 2jqj n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jqj n GLY 122 N 1.07 -0.19 3.21 8.20 0.00 -0.82 -5.01 105.19 111.65 2jqj n GLY 122 Ca 0.10 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.62 3.56 -0.05 1.61 1.11 -1.15 -4.96 116.67 113.16 2jqj s ASP 123 Ca 0.24 -0.53 -0.20 0.00 0.18 0.00 0.00 52.55 52.25 2jqj s ASP 123 Cb -0.11 -1.56 -0.05 0.00 1.07 0.00 0.00 42.92 42.28 2jqj s ASP 123 CO 0.56 0.03 0.55 -0.13 1.18 0.00 0.00 175.17 177.37 2jqj s ARG 124 N 1.12 4.31 -0.06 8.23 0.52 -1.26 -0.48 118.95 131.33 2jqj s ARG 124 Ca 0.01 0.63 0.03 0.00 -0.52 0.00 0.00 55.73 55.88 2jqj s ARG 124 Cb -0.14 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.95 2jqj s ARG 124 CO -0.05 0.28 -0.16 0.42 0.02 0.00 0.00 175.30 175.81 2jqj s ILE 125 N 0.14 1.36 -0.14 1.52 1.09 0.20 -2.57 121.20 122.79 2jqj s ILE 125 Ca 0.30 -0.64 0.02 0.00 -1.10 0.00 0.00 60.65 59.23 2jqj s ILE 125 Cb -0.17 -1.19 0.00 0.00 -1.06 0.00 0.00 42.46 40.04 2jqj s ILE 125 CO 0.15 0.40 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.50 2jqj s VAL 126 N 0.35 2.34 0.04 2.92 1.01 0.15 -0.85 120.40 126.35 2jqj s VAL 126 Ca -0.10 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.06 2jqj s VAL 126 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2jqj s VAL 126 CO 0.04 0.54 -0.23 -0.36 0.00 0.00 0.00 175.10 175.08 2jqj s PHE 127 N 0.72 2.02 0.00 5.22 0.08 0.79 -1.15 117.98 125.66 2jqj s PHE 127 Ca -0.08 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.58 2jqj s PHE 127 Cb -0.16 -1.21 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 2jqj s PHE 127 CO 0.01 0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.63 2jqj n GLY 128 N 1.88 2.03 0.00 4.36 0.00 -0.94 -2.90 105.19 109.63 2jqj n GLY 128 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2jqj n GLY 128 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jqj n LYS 129 N 0.00 0.00 -0.02 1.61 2.85 -1.26 -4.64 118.16 116.69 2jqj n LYS 129 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 2jqj n LYS 129 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 2jqj n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2jqj n SER 130 N 0.00 3.75 -4.53 -5.58 3.41 -1.25 -4.97 113.62 104.45 2jqj n SER 130 Ca 0.00 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 2jqj n SER 130 Cb 0.00 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 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 10.04 2.54 0.04 0.00 0.15 -1.26 -0.15 113.70 125.07 2jqj s SER 132 Ca 1.07 -0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.23 2jqj s SER 132 Cb -0.51 -1.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.64 2jqj s SER 132 CO 0.36 0.01 0.04 0.72 1.20 0.00 0.00 173.24 175.57 2jqj s PHE 133 N 1.05 0.31 -0.06 3.44 -0.71 -0.03 -1.43 117.98 120.54 2jqj s PHE 133 Ca -0.05 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.16 2jqj s PHE 133 Cb -0.15 -0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 2jqj s PHE 133 CO -0.03 -0.35 -0.10 -1.17 -1.34 0.00 0.00 175.22 172.23 2jqj s LEU 134 N -2.33 3.01 -0.09 -1.99 2.96 0.21 0.59 118.68 121.03 2jqj s LEU 134 Ca -0.02 -0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 2jqj s LEU 134 Cb 0.01 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2jqj s LEU 134 CO -0.06 0.36 0.14 0.12 -1.32 0.00 0.00 176.35 175.58 2jqj s PHE 135 N -0.78 3.56 0.08 5.38 2.19 0.37 -1.39 117.98 127.39 2jqj s PHE 135 Ca 0.12 0.47 -0.19 0.00 0.33 0.00 0.00 56.93 57.66 2jqj s PHE 135 Cb -0.11 -1.91 0.04 0.00 -1.31 0.00 0.00 43.02 39.74 2jqj s PHE 135 CO 0.01 0.70 0.45 0.15 1.83 0.00 0.00 175.22 178.37 2jqj s LYS 136 N -1.21 1.04 0.12 10.12 1.02 -1.16 -1.94 119.74 127.73 2jqj s LYS 136 Ca 0.17 -0.46 -0.23 0.00 0.02 0.00 0.00 55.97 55.47 2jqj s LYS 136 Cb -0.12 0.46 -0.07 0.00 -0.52 0.00 0.00 37.83 37.58 2jqj s LYS 136 CO 0.07 -0.39 0.70 0.71 -0.92 0.00 0.00 175.35 175.52 2jqj s TYR 137 N -3.06 3.86 -0.47 3.18 2.02 -1.26 -1.95 117.35 119.67 2jqj s TYR 137 Ca -0.02 1.49 -0.11 0.00 -0.37 0.00 0.00 57.07 58.07 2jqj s TYR 137 Cb 0.00 -2.67 0.11 0.00 -0.40 0.00 0.00 41.96 39.00 2jqj s TYR 137 CO -0.07 0.53 0.36 0.00 -1.57 0.00 0.00 175.55 174.80 2jqj s ALA 138 N -1.06 3.43 -0.32 3.71 0.00 0.29 -4.89 121.76 122.92 2jqj s ALA 138 Ca 0.33 -2.43 -0.28 0.00 0.00 0.00 0.00 51.96 49.59 2jqj s ALA 138 Cb -0.22 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 2jqj s ALA 138 CO 0.23 -1.86 2.17 -1.12 0.00 0.00 0.00 175.76 175.18 2jqj s SER 139 N 2.71 5.28 -0.29 0.00 0.01 -1.26 -4.60 113.70 115.55 2jqj s SER 139 Ca 0.05 1.51 -0.24 0.00 1.31 0.00 0.00 55.95 58.57 2jqj s SER 139 Cb -0.26 -2.51 0.13 0.00 0.21 0.00 0.00 66.02 63.59 2jqj s SER 139 CO 0.01 -2.15 1.09 -0.94 0.41 0.00 0.00 173.24 171.66 2jqj s SER 140 N 8.79 -0.39 -0.39 2.44 1.04 -1.26 -5.13 113.70 118.81 2jqj s SER 140 Ca 0.94 0.75 0.03 0.00 0.48 0.00 0.00 55.95 58.15 2jqj s SER 140 Cb -0.26 0.79 0.16 0.00 0.10 0.00 0.00 66.02 66.81 2jqj s SER 140 CO 0.32 -0.13 0.37 -0.55 0.98 0.00 0.00 173.24 174.23 2jqj s SER 141 N 0.30 1.27 0.04 7.02 0.15 -1.26 -4.88 113.70 116.34 2jqj s SER 141 Ca 0.03 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 54.76 2jqj s SER 141 Cb -0.05 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2jqj s SER 141 CO -0.08 -0.24 0.00 -1.20 1.20 0.00 0.00 173.24 172.92 2jqj n SER 142 N 3.90 0.13 -0.71 5.45 7.64 -1.26 -5.14 113.62 123.63 2jqj n SER 142 Ca 0.15 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2jqj n SER 142 Cb 0.45 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2jqj n SER 142 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jqj n THR 143 N -2.74 0.00 -3.27 0.44 -2.24 -1.26 -4.82 114.28 100.39 2jqj n THR 143 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2jqj n THR 143 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2jqj n THR 143 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jqj s ASP 144 N -4.00 -0.25 0.00 3.42 1.01 -1.26 -5.14 116.67 110.46 2jqj s ASP 144 Ca 0.00 -0.56 0.00 0.00 0.71 0.00 0.00 52.55 52.70 2jqj s ASP 144 Cb 0.00 1.36 0.00 0.00 1.01 0.00 0.00 42.92 45.29 2jqj s ASP 144 CO 0.00 -0.29 0.00 -0.38 0.21 0.00 0.00 175.17 174.71 2jqj n ILE 145 N 4.99 0.00 -3.82 0.77 -0.00 -1.26 -5.13 119.36 114.90 2jqj n ILE 145 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.58 2jqj n ILE 145 Cb 0.51 0.00 -0.17 0.00 -0.00 0.00 0.00 39.64 39.98 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 4.26 0.65 -0.02 0.38 -6.30 -1.26 -5.14 118.70 111.27 2jqj s GLU 146 Ca 0.00 0.07 -0.09 0.00 -2.50 0.00 0.00 54.97 52.45 2jqj s GLU 146 Cb 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 34.13 33.12 2jqj s GLU 146 CO 0.00 -0.27 0.30 0.54 0.02 0.00 0.00 175.26 175.84 2jqj s ASN 147 N 1.83 6.58 0.29 -1.70 4.22 -1.26 -5.10 114.94 119.80 2jqj s ASN 147 Ca 0.03 0.69 0.06 0.00 -2.14 0.00 0.00 52.86 51.50 2jqj s ASN 147 Cb -0.12 -2.14 -0.02 0.00 1.28 0.00 0.00 41.25 40.24 2jqj s ASN 147 CO -0.05 0.30 0.41 -0.62 -2.04 0.00 0.00 177.10 175.10 2jqj s ASP 148 N -1.36 6.07 0.35 3.54 2.15 -1.26 -5.01 116.67 121.15 2jqj s ASP 148 Ca 0.24 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.12 2jqj s ASP 148 Cb -0.14 -1.48 0.00 0.00 -0.30 0.00 0.00 42.92 41.00 2jqj s ASP 148 CO 0.13 -0.27 0.00 -0.67 -0.17 0.00 0.00 175.17 174.19 2jqj n ASP 149 N -1.52 -2.82 -2.50 -0.34 -0.08 -1.26 -5.03 116.55 103.00 2jqj n ASP 149 Ca -0.04 0.66 -0.21 0.00 -1.51 0.00 0.00 54.79 53.69 2jqj n ASP 149 Cb 0.58 2.73 0.00 0.00 2.34 0.00 0.00 41.12 46.77 2jqj n ASP 149 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jqj n GLU 150 N -3.25 -2.39 -3.14 -0.67 1.02 -1.26 -4.93 120.64 106.03 2jqj n GLU 150 Ca 0.00 0.98 0.05 0.00 -0.02 0.00 0.00 57.16 58.17 2jqj n GLU 150 Cb 0.00 -5.68 -0.00 0.00 -0.02 0.00 0.00 31.44 25.74 2jqj n GLU 150 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2jqj s LYS 151 N -5.18 0.35 -0.18 3.49 2.20 -1.26 -5.03 119.74 114.12 2jqj s LYS 151 Ca 0.07 0.29 0.16 0.00 -0.36 0.00 0.00 55.97 56.13 2jqj s LYS 151 Cb -0.03 0.14 0.45 0.00 -1.51 0.00 0.00 37.83 36.88 2jqj s LYS 151 CO 0.08 -0.64 1.18 1.33 -0.36 0.00 0.00 175.35 176.95 2jqj n VAL 152 N 5.16 1.57 0.07 4.02 0.24 -1.26 -4.90 118.33 123.23 2jqj n VAL 152 Ca 0.07 -2.86 0.00 0.00 -2.04 0.00 0.00 64.34 59.52 2jqj n VAL 152 Cb 0.56 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 2jqj n VAL 152 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2jqj n SER 153 N -0.53 -1.17 -2.45 -1.34 2.88 -1.26 -5.02 113.62 104.73 2jqj n SER 153 Ca 0.20 0.47 -0.20 0.00 -1.33 0.00 0.00 58.87 58.00 2jqj n SER 153 Cb 0.89 1.35 0.00 0.00 -0.75 0.00 0.00 64.21 65.70 2jqj n SER 153 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jqj n SER 154 N -2.78 -5.80 -3.15 -3.46 7.64 -1.26 -4.95 113.62 99.86 2jqj n SER 154 Ca 0.00 -0.09 0.04 0.00 1.01 0.00 0.00 58.87 59.84 2jqj n SER 154 Cb 0.00 -4.77 -0.00 0.00 -1.01 0.00 0.00 64.21 58.43 2jqj n SER 154 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2jqj s GLU 155 N -5.17 0.53 0.51 1.43 2.02 -1.26 -5.17 118.70 111.59 2jqj s GLU 155 Ca 0.08 0.70 0.06 0.00 0.02 0.00 0.00 54.97 55.82 2jqj s GLU 155 Cb -0.03 0.36 0.01 0.00 0.10 0.00 0.00 34.13 34.57 2jqj s GLU 155 CO 0.09 -0.83 0.33 -1.54 0.02 0.00 0.00 175.26 173.34 2jqj s SER 156 N 2.85 4.61 0.18 -0.19 1.04 -1.26 -5.08 113.70 115.84 2jqj s SER 156 Ca 0.15 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2jqj s SER 156 Cb -0.12 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2jqj s SER 156 CO -0.23 -0.94 0.00 -1.14 0.98 0.00 0.00 173.24 171.90 2jqj n ARG 157 N -1.61 0.00 -3.41 4.02 0.63 -1.26 -5.03 116.66 110.00 2jqj n ARG 157 Ca -0.02 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.64 2jqj n ARG 157 Cb 0.64 -0.25 -0.11 0.00 0.45 0.00 0.00 32.46 33.20 2jqj n ARG 157 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jqj s SER 158 N -5.43 2.19 0.00 6.15 0.15 -1.26 -5.36 113.70 110.13 2jqj s SER 158 Ca 0.00 -2.38 0.03 0.00 0.70 0.00 0.00 55.95 54.30 2jqj s SER 158 Cb 0.00 -0.25 0.17 0.00 -1.71 0.00 0.00 66.02 64.23 2jqj s SER 158 CO 0.00 -0.26 0.65 0.00 1.20 0.00 0.00 173.24 174.84