#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 3.33 -0.25 1.64 0.52 -1.26 -5.10 118.95 117.83 2jqj s ARG 20 Ca 0.00 -0.79 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 2jqj s ARG 20 Cb 0.00 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.64 2jqj s ARG 20 CO 0.00 0.27 -0.01 -1.14 0.02 0.00 0.00 175.30 174.43 2jqj s GLN 21 N -4.09 3.09 0.10 3.54 0.74 -1.26 -4.92 119.66 116.85 2jqj s GLN 21 Ca 0.38 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.97 2jqj s GLN 21 Cb -0.09 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.91 2jqj s GLN 21 CO 0.31 -0.35 0.00 0.94 -0.55 0.00 0.00 175.29 175.64 2jqj n GLN 22 N 4.77 0.00 -3.66 1.67 7.27 -1.26 -5.14 117.38 121.03 2jqj n GLN 22 Ca -0.16 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.80 2jqj n GLN 22 Cb 0.48 -0.28 -0.04 0.00 2.41 0.00 0.00 30.24 32.82 2jqj n GLN 22 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2jqj s ARG 23 N -2.00 1.17 -0.09 3.69 3.00 -1.26 -5.07 118.95 118.39 2jqj s ARG 23 Ca 0.00 -0.76 0.22 0.00 0.00 0.00 0.00 55.73 55.19 2jqj s ARG 23 Cb 0.00 0.49 0.40 0.00 0.00 0.00 0.00 34.95 35.84 2jqj s ARG 23 CO 0.00 -0.47 1.16 0.43 0.00 0.00 0.00 175.30 176.41 2jqj n SER 24 N -0.26 0.79 -3.53 0.23 7.64 -1.26 -5.11 113.62 112.11 2jqj n SER 24 Ca -0.14 -2.02 -0.14 0.00 1.01 0.00 0.00 58.87 57.58 2jqj n SER 24 Cb 0.63 -0.23 0.07 0.00 -1.01 0.00 0.00 64.21 63.68 2jqj n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jqj n ASN 25 N 0.03 0.82 -4.76 6.43 4.13 -1.26 -5.08 115.26 115.58 2jqj n ASN 25 Ca 0.01 -1.69 -0.32 0.00 1.68 0.00 0.00 54.58 54.26 2jqj n ASN 25 Cb 0.99 -0.38 0.08 0.00 -1.54 0.00 0.00 39.78 38.93 2jqj n ASN 25 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2jqj s LYS 26 N -3.99 2.35 0.38 3.52 3.01 -1.26 -4.99 119.74 118.76 2jqj s LYS 26 Ca 0.39 1.32 -0.26 0.00 -1.01 0.00 0.00 55.97 56.41 2jqj s LYS 26 Cb -0.02 -1.90 -0.09 0.00 -1.01 0.00 0.00 37.83 34.81 2jqj s LYS 26 CO 0.26 -1.59 1.20 -1.25 0.51 0.00 0.00 175.35 174.48 2jqj s PRO 27 N -4.52 4.12 0.08 -1.68 0.04 -1.26 -5.05 135.00 126.73 2jqj s PRO 27 Ca 0.65 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 63.54 2jqj s PRO 27 Cb -0.20 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 2jqj s PRO 27 CO 0.50 -0.29 0.15 -1.12 0.04 0.00 0.00 177.00 176.28 2jqj s SER 28 N -0.98 0.19 -0.04 6.66 0.01 -1.26 -5.17 113.70 113.11 2jqj s SER 28 Ca 0.55 -0.73 0.06 0.00 1.31 0.00 0.00 55.95 57.15 2jqj s SER 28 Cb -0.33 0.31 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2jqj s SER 28 CO 0.42 -0.71 -0.24 -0.94 0.41 0.00 0.00 173.24 172.18 2jqj s SER 29 N -2.88 2.86 -0.19 2.44 1.04 -1.26 -5.02 113.70 110.69 2jqj s SER 29 Ca 0.06 -0.46 0.12 0.00 0.48 0.00 0.00 55.95 56.15 2jqj s SER 29 Cb 0.05 -0.63 0.41 0.00 0.10 0.00 0.00 66.02 65.95 2jqj s SER 29 CO -0.11 0.25 1.21 -0.62 0.98 0.00 0.00 173.24 174.95 2jqj n GLU 30 N 2.82 1.47 -3.32 4.02 1.02 -1.26 -4.96 120.64 120.44 2jqj n GLU 30 Ca -0.17 -3.16 0.03 0.00 -0.02 0.00 0.00 57.16 53.83 2jqj n GLU 30 Cb 0.52 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 2jqj n GLU 30 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2jqj s TYR 31 N -3.03 -0.85 0.30 -0.32 1.51 -1.26 -4.83 117.35 108.87 2jqj s TYR 31 Ca 0.37 1.21 0.06 0.00 -1.01 0.00 0.00 57.07 57.70 2jqj s TYR 31 Cb 0.36 0.41 -0.02 0.00 -0.11 0.00 0.00 41.96 42.61 2jqj s TYR 31 CO -0.07 -0.44 0.43 0.99 -1.11 0.00 0.00 175.55 175.35 2jqj s THR 32 N 2.69 4.43 0.29 -0.71 2.01 -1.26 -4.79 115.64 118.30 2jqj s THR 32 Ca 0.01 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 60.70 2jqj s THR 32 Cb -0.09 -3.54 -0.12 0.00 0.01 0.00 0.00 72.50 68.76 2jqj s THR 32 CO -0.16 -0.21 1.62 0.00 -0.69 0.00 0.00 174.62 175.17 2jqj n LEU 34 N 2.29 0.36 0.00 0.00 0.00 -1.21 -4.87 117.00 113.57 2jqj n LEU 34 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 56.03 2jqj n LEU 34 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.80 2jqj n LEU 34 CO 0.64 -0.15 0.29 0.61 0.00 0.00 0.00 177.39 178.78 2jqj n GLY 35 N 2.03 1.62 3.22 -3.96 0.00 -1.16 -1.35 105.19 105.59 2jqj n GLY 35 Ca 0.00 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.17 0.77 -0.23 1.61 3.76 -0.09 -1.90 115.29 115.05 2jqj s HIS 36 Ca 0.13 -1.12 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 2jqj s HIS 36 Cb -0.03 -0.36 0.06 0.00 1.11 0.00 0.00 32.58 33.36 2jqj s HIS 36 CO 0.10 -0.60 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.84 2jqj s LEU 37 N -3.04 2.31 -0.25 0.89 1.43 0.62 -3.00 118.68 117.64 2jqj s LEU 37 Ca 0.24 -1.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 2jqj s LEU 37 Cb 0.06 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2jqj s LEU 37 CO 0.03 -0.24 0.14 -0.69 0.23 0.00 0.00 176.35 175.81 2jqj s VAL 38 N 1.48 4.96 -0.20 -1.59 1.01 -0.98 -0.71 120.40 124.38 2jqj s VAL 38 Ca -0.05 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 2jqj s VAL 38 Cb -0.18 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2jqj s VAL 38 CO -0.07 0.31 0.59 0.20 0.00 0.00 0.00 175.10 176.14 2jqj s ASN 39 N 1.47 6.64 -0.54 3.32 0.01 0.29 -0.12 114.94 126.01 2jqj s ASN 39 Ca 0.06 0.78 -0.26 0.00 -0.71 0.00 0.00 52.86 52.73 2jqj s ASN 39 Cb -0.15 -2.33 0.04 0.00 0.41 0.00 0.00 41.25 39.22 2jqj s ASN 39 CO 0.07 -0.24 1.03 -0.76 -1.51 0.00 0.00 177.10 175.69 2jqj s LEU 40 N 1.80 3.85 -0.03 0.60 1.43 0.19 -2.94 118.68 123.59 2jqj s LEU 40 Ca 0.27 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 2jqj s LEU 40 Cb -0.16 -3.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 2jqj s LEU 40 CO 0.10 -1.29 -0.20 -0.63 0.23 0.00 0.00 176.35 174.56 2jqj s ILE 41 N 4.28 1.62 0.57 -0.59 1.01 -1.26 -4.63 121.20 122.20 2jqj s ILE 41 Ca 0.36 -0.86 0.34 0.00 0.00 0.00 0.00 60.65 60.49 2jqj s ILE 41 Cb -0.10 -1.36 0.49 0.00 0.01 0.00 0.00 42.46 41.49 2jqj s ILE 41 CO 0.23 0.46 1.71 -0.65 0.00 0.00 0.00 174.94 176.69 2jqj h PRO 42 N 5.87 0.00 -3.61 2.79 0.11 -2.01 -3.33 132.00 131.82 2jqj h PRO 42 Ca -0.36 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.21 2jqj h PRO 42 Cb 1.15 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.87 2jqj h PRO 42 CO 0.48 0.00 -0.77 0.20 -0.21 0.00 0.00 178.00 177.70 2jqj s GLY 43 N -3.81 0.84 0.33 -0.55 0.00 -1.26 -5.05 107.32 97.82 2jqj s GLY 43 Ca -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2jqj s GLY 43 CO 0.67 1.44 0.00 0.28 0.00 0.00 0.00 173.10 175.49 2jqj n LYS 44 N 4.97 -4.62 -2.77 2.90 5.02 -1.25 -5.02 118.16 117.39 2jqj n LYS 44 Ca -0.08 3.34 -0.20 0.00 -2.02 0.00 0.00 58.31 59.35 2jqj n LYS 44 Cb 0.45 -3.66 0.03 0.00 -0.02 0.00 0.00 35.03 31.83 2jqj n LYS 44 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jqj s GLU 45 N -2.25 2.62 -0.12 1.97 2.02 -1.26 -4.39 118.70 117.28 2jqj s GLU 45 Ca 0.00 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.04 2jqj s GLU 45 Cb 0.00 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.67 2jqj s GLU 45 CO 0.00 -0.58 -0.13 -1.14 0.02 0.00 0.00 175.26 173.44 2jqj s GLN 46 N -4.63 2.03 -0.19 1.61 2.00 -1.15 -4.95 119.66 114.38 2jqj s GLN 46 Ca 0.57 -0.47 -0.08 0.00 -2.00 0.00 0.00 55.36 53.38 2jqj s GLN 46 Cb -0.10 -1.87 -0.04 0.00 0.80 0.00 0.00 33.01 31.80 2jqj s GLN 46 CO 0.37 -0.19 0.08 0.15 -0.50 0.00 0.00 175.29 175.20 2jqj s LYS 47 N 1.37 4.00 -0.09 1.67 -0.14 -1.26 -0.54 119.74 124.75 2jqj s LYS 47 Ca 0.01 -0.33 0.04 0.00 -1.36 0.00 0.00 55.97 54.33 2jqj s LYS 47 Cb -0.13 -3.28 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 2jqj s LYS 47 CO -0.07 0.24 -0.22 0.08 -0.76 0.00 0.00 175.35 174.62 2jqj s VAL 48 N 0.48 1.89 -0.17 3.17 1.01 0.11 -4.95 120.40 121.94 2jqj s VAL 48 Ca 0.04 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 2jqj s VAL 48 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2jqj s VAL 48 CO 0.00 0.52 0.75 -1.61 0.00 0.00 0.00 175.10 174.77 2jqj s GLU 49 N 0.33 4.28 -0.10 2.72 2.02 -1.26 -0.28 118.70 126.41 2jqj s GLU 49 Ca -0.16 0.88 0.02 0.00 0.02 0.00 0.00 54.97 55.72 2jqj s GLU 49 Cb -0.17 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 2jqj s GLU 49 CO 0.07 -0.26 -0.17 -1.50 0.02 0.00 0.00 175.26 173.42 2jqj s ILE 50 N 1.94 2.73 0.40 -1.63 2.07 -0.80 -4.97 121.20 120.94 2jqj s ILE 50 Ca 0.35 -0.79 0.07 0.00 -1.41 0.00 0.00 60.65 58.87 2jqj s ILE 50 Cb -0.16 -2.10 0.00 0.00 0.13 0.00 0.00 42.46 40.33 2jqj s ILE 50 CO 0.12 0.55 0.54 0.42 -1.91 0.00 0.00 174.94 174.66 2jqj s THR 51 N 0.12 3.35 -1.44 4.00 -4.23 -1.26 -2.98 115.64 113.20 2jqj s THR 51 Ca -0.08 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.32 2jqj s THR 51 Cb -0.15 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.60 2jqj s THR 51 CO 0.05 -0.05 2.26 -0.46 -0.54 0.00 0.00 174.62 175.88 2jqj n ASN 52 N -1.80 4.92 -0.19 3.99 0.23 -1.04 -4.65 115.26 116.73 2jqj n ASN 52 Ca 0.05 -2.87 0.06 0.00 -0.53 0.00 0.00 54.58 51.30 2jqj n ASN 52 Cb 0.59 -1.60 0.31 0.00 -2.08 0.00 0.00 39.78 37.00 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 5.15 1.24 0.00 -3.83 0.63 -1.26 -4.76 116.66 113.83 2jqj n ARG 53 Ca 0.54 -0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 2jqj n ARG 53 Cb 0.36 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.04 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 -0.33 0.00 -3.86 6.15 5.15 -0.85 -4.76 115.26 116.76 2jqj n ASN 54 Ca 0.10 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.92 2jqj n ASN 54 Cb 0.13 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.22 2jqj n ASN 54 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jqj s VAL 55 N 0.00 0.21 -0.07 3.44 1.01 -1.26 -2.11 120.40 121.62 2jqj s VAL 55 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2jqj s VAL 55 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.13 2jqj s VAL 55 CO 0.00 0.12 -0.17 -0.89 0.00 0.00 0.00 175.10 174.16 2jqj s THR 56 N 0.62 1.51 -0.15 3.92 2.01 0.51 -4.92 115.64 119.14 2jqj s THR 56 Ca -0.06 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 2jqj s THR 56 Cb -0.09 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2jqj s THR 56 CO -0.01 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.83 2jqj s THR 57 N 0.41 4.79 -0.16 -0.82 -4.23 -1.26 0.11 115.64 114.47 2jqj s THR 57 Ca -0.13 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 2jqj s THR 57 Cb -0.16 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.58 2jqj s THR 57 CO 0.05 0.52 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.84 2jqj s ILE 58 N -0.15 2.35 0.00 2.99 1.09 -0.45 0.14 121.20 127.17 2jqj s ILE 58 Ca 0.07 -0.87 0.00 0.00 -1.10 0.00 0.00 60.65 58.75 2jqj s ILE 58 Cb -0.12 -1.98 0.00 0.00 -1.06 0.00 0.00 42.46 39.30 2jqj s ILE 58 CO 0.01 0.53 0.00 0.61 -0.10 0.00 0.00 174.94 175.99 2jqj n GLY 59 N 4.25 -0.54 0.00 6.18 0.00 -0.87 -2.78 105.19 111.43 2jqj n GLY 59 Ca -0.20 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.39 -1.65 1.61 1.85 -1.24 -2.88 116.66 116.74 2jqj n ARG 60 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 57.85 56.31 2jqj n ARG 60 Cb 0.00 -0.94 -0.06 0.00 -1.05 0.00 0.00 32.46 30.40 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 -1.63 2.07 0.16 2.89 2.88 -1.26 -4.79 113.62 113.93 2jqj n SER 61 Ca 0.00 1.09 0.19 0.00 -1.33 0.00 0.00 58.87 58.82 2jqj n SER 61 Cb 0.26 -1.18 0.79 0.00 -0.75 0.00 0.00 64.21 63.34 2jqj n SER 61 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2jqj h ARG 62 N 5.91 0.00 0.00 -1.46 0.11 -1.97 0.36 114.38 117.33 2jqj h ARG 62 Ca -0.47 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.54 2jqj h ARG 62 Cb 1.32 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.39 2jqj h ARG 62 CO 0.87 0.00 -0.31 0.66 0.10 0.00 0.00 179.97 181.28 2jqj h SER 63 N 0.00 0.00 -2.89 0.08 4.64 -2.00 -3.46 113.55 109.92 2jqj h SER 63 Ca 0.13 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 61.01 2jqj h SER 63 Cb 0.75 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 63.07 2jqj h SER 63 CO -0.00 0.31 -0.39 0.00 -0.87 0.00 0.00 176.83 175.88 2jqj h ASP 65 N -2.49 0.00 -3.14 0.00 5.19 0.86 -3.46 116.42 113.39 2jqj h ASP 65 Ca -0.59 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.19 2jqj h ASP 65 Cb 1.34 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.73 2jqj h ASP 65 CO 0.45 0.11 -0.53 -0.69 -3.12 0.00 0.00 179.24 175.47 2jqj s VAL 66 N -1.16 5.10 -0.15 -1.35 1.01 0.70 -4.93 120.40 119.62 2jqj s VAL 66 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2jqj s VAL 66 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2jqj s VAL 66 CO 0.02 0.50 -0.10 0.27 0.00 0.00 0.00 175.10 175.80 2jqj s ILE 67 N -0.05 3.26 0.00 2.22 -4.36 -1.26 -2.05 121.20 118.96 2jqj s ILE 67 Ca 0.08 -0.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.90 2jqj s ILE 67 Cb -0.12 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.19 2jqj s ILE 67 CO 0.00 0.50 0.00 0.18 0.24 0.00 0.00 174.94 175.86 2jqj n LEU 68 N 3.79 0.51 0.00 0.37 4.77 -1.14 -4.98 117.00 120.32 2jqj n LEU 68 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2jqj n LEU 68 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2jqj n LEU 68 CO 0.31 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.13 2jqj n SER 69 N -0.69 0.00 0.00 -1.43 2.88 -1.26 -5.11 113.62 108.01 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 -0.17 -1.46 -0.58 -1.26 -4.90 120.64 112.27 2jqj n GLU 70 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2jqj n GLU 70 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 1.00 -0.31 3.49 0.11 -1.99 -3.23 132.00 131.07 2jqj h PRO 71 Ca 0.00 -0.41 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2jqj h PRO 71 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2jqj h PRO 71 CO 0.00 1.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.63 2jqj n ASP 72 N -4.14 3.57 -4.48 -2.05 9.92 -1.26 -4.96 116.55 113.15 2jqj n ASP 72 Ca 0.00 -2.62 -0.35 0.00 -0.53 0.00 0.00 54.79 51.30 2jqj n ASP 72 Cb 0.44 -0.43 -0.12 0.00 -0.64 0.00 0.00 41.12 40.37 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 -2.11 4.18 0.21 0.53 1.10 -1.22 -5.01 121.20 118.88 2jqj s ILE 73 Ca 0.35 -0.23 -0.32 0.00 -0.51 0.00 0.00 60.65 59.94 2jqj s ILE 73 Cb 0.26 -2.90 -0.13 0.00 0.15 0.00 0.00 42.46 39.84 2jqj s ILE 73 CO 0.12 0.41 1.61 -1.20 -2.11 0.00 0.00 174.94 173.77 2jqj n SER 74 N 4.25 3.47 -0.28 4.50 7.64 -1.26 -4.31 113.62 127.63 2jqj n SER 74 Ca -0.17 1.09 -0.06 0.00 1.01 0.00 0.00 58.87 60.75 2jqj n SER 74 Cb 0.52 -1.50 0.06 0.00 -1.01 0.00 0.00 64.21 62.28 2jqj n SER 74 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2jqj h THR 75 N 3.55 1.26 -0.52 0.44 2.02 -1.92 -2.58 112.91 115.17 2jqj h THR 75 Ca -0.45 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 65.85 2jqj h THR 75 Cb 1.23 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2jqj h THR 75 CO 0.88 0.35 0.00 0.49 0.37 0.00 0.00 175.52 177.61 2jqj n PHE 76 N -4.26 1.06 0.00 3.16 3.72 -1.26 -4.24 117.46 115.64 2jqj n PHE 76 Ca 0.07 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 2jqj n PHE 76 Cb 0.21 -0.17 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 0.76 0.00 -3.63 1.38 -0.00 -0.97 -4.63 115.22 108.13 2jqj n HIS 77 Ca 0.21 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.29 2jqj n HIS 77 Cb 0.73 -0.04 -0.02 0.00 -0.12 0.00 0.00 29.99 30.54 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 -2.65 -1.32 -0.01 1.57 0.00 -1.17 -3.48 121.76 114.71 2jqj s ALA 78 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.10 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 -0.86 -0.21 -1.21 0.00 0.00 0.00 175.76 173.48 2jqj s GLU 79 N -3.83 1.67 -0.09 0.00 2.02 -0.97 -1.35 118.70 116.15 2jqj s GLU 79 Ca 0.06 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.33 2jqj s GLU 79 Cb -0.02 -1.63 -0.00 0.00 0.10 0.00 0.00 34.13 32.58 2jqj s GLU 79 CO -0.05 0.44 -0.23 -0.06 0.02 0.00 0.00 175.26 175.38 2jqj s PHE 80 N -0.51 2.56 -0.31 1.61 0.40 0.12 -0.34 117.98 121.50 2jqj s PHE 80 Ca 0.08 -0.95 -0.10 0.00 -0.60 0.00 0.00 56.93 55.35 2jqj s PHE 80 Cb -0.08 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 2jqj s PHE 80 CO -0.01 -0.36 0.17 -1.01 0.70 0.00 0.00 175.22 174.72 2jqj s HIS 81 N 0.24 3.19 -0.36 0.36 3.76 0.62 0.19 115.29 123.29 2jqj s HIS 81 Ca -0.15 -0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 54.26 2jqj s HIS 81 Cb -0.17 -2.38 0.04 0.00 1.11 0.00 0.00 32.58 31.17 2jqj s HIS 81 CO 0.08 -0.40 0.16 -0.51 -0.85 0.00 0.00 174.74 173.21 2jqj s LEU 82 N 1.65 4.54 -0.02 0.89 1.02 -0.90 -0.83 118.68 125.04 2jqj s LEU 82 Ca 0.05 -1.09 0.08 0.00 0.02 0.00 0.00 54.13 53.19 2jqj s LEU 82 Cb -0.17 -1.95 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 2jqj s LEU 82 CO 0.08 -0.36 -0.25 -0.76 0.02 0.00 0.00 176.35 175.07 2jqj s LEU 83 N 1.47 2.05 -0.19 1.79 1.43 -1.09 -2.01 118.68 122.14 2jqj s LEU 83 Ca 0.00 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2jqj s LEU 83 Cb -0.19 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 2jqj s LEU 83 CO 0.05 0.31 -0.02 -1.10 0.23 0.00 0.00 176.35 175.81 2jqj s GLN 84 N -0.60 3.58 0.06 1.70 -0.21 -1.26 -3.04 119.66 119.90 2jqj s GLN 84 Ca 0.10 -0.55 0.05 0.00 0.02 0.00 0.00 55.36 54.99 2jqj s GLN 84 Cb -0.10 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 2jqj s GLN 84 CO -0.01 0.06 -0.15 -1.64 -2.12 0.00 0.00 175.29 171.43 2jqj s MET 85 N 0.85 0.91 -0.25 2.91 -1.94 -1.11 -5.05 119.30 115.63 2jqj s MET 85 Ca -0.00 -0.92 -0.07 0.00 -1.71 0.00 0.00 55.69 52.99 2jqj s MET 85 Cb -0.14 -0.95 -0.02 0.00 2.01 0.00 0.00 34.83 35.72 2jqj s MET 85 CO 0.02 0.22 0.05 0.16 -0.01 0.00 0.00 175.02 175.46 2jqj s ASP 86 N -1.56 5.00 -0.21 3.03 -4.77 -1.26 -1.11 116.67 115.79 2jqj s ASP 86 Ca 0.00 -0.24 -0.01 0.00 -3.30 0.00 0.00 52.55 49.00 2jqj s ASP 86 Cb -0.09 -1.89 0.06 0.00 -1.09 0.00 0.00 42.92 39.90 2jqj s ASP 86 CO 0.02 -0.03 -0.02 -0.69 0.70 0.00 0.00 175.17 175.15 2jqj s VAL 87 N 1.59 1.10 -0.79 2.11 1.01 -0.18 -4.88 120.40 120.36 2jqj s VAL 87 Ca 0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2jqj s VAL 87 Cb -0.15 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2jqj s VAL 87 CO 0.03 -0.10 0.72 -0.67 0.00 0.00 0.00 175.10 175.08 2jqj n ASP 88 N 4.84 -7.44 0.00 3.32 -0.08 -1.26 -3.60 116.55 112.33 2jqj n ASP 88 Ca -0.11 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 52.95 2jqj n ASP 88 Cb 0.46 -5.06 0.00 0.00 2.34 0.00 0.00 41.12 38.86 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 -2.03 0.00 -4.76 1.67 2.85 -1.26 -4.84 115.26 106.90 2jqj n ASN 89 Ca -0.03 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.07 2jqj n ASN 89 Cb 0.53 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.57 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 0.00 2.51 -0.18 1.20 0.08 -1.24 -4.99 117.98 115.37 2jqj s PHE 90 Ca 0.00 1.45 -0.05 0.00 0.12 0.00 0.00 56.93 58.46 2jqj s PHE 90 Cb 0.00 -3.60 -0.03 0.00 -0.57 0.00 0.00 43.02 38.82 2jqj s PHE 90 CO 0.00 -2.30 -0.01 1.14 -0.10 0.00 0.00 175.22 173.95 2jqj s GLN 91 N -2.90 3.71 -0.01 0.44 -2.07 -1.26 -1.01 119.66 116.56 2jqj s GLN 91 Ca 0.70 -0.49 -0.05 0.00 -1.82 0.00 0.00 55.36 53.69 2jqj s GLN 91 Cb -0.35 -3.03 -0.04 0.00 -1.09 0.00 0.00 33.01 28.50 2jqj s GLN 91 CO 0.41 0.17 0.23 1.03 -1.32 0.00 0.00 175.29 175.80 2jqj s ARG 92 N 0.59 3.52 -0.18 9.60 3.00 -0.27 -4.94 118.95 130.27 2jqj s ARG 92 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 55.73 55.52 2jqj s ARG 92 Cb -0.14 -3.09 -0.02 0.00 0.00 0.00 0.00 34.95 31.69 2jqj s ARG 92 CO 0.02 0.67 -0.02 -0.80 0.00 0.00 0.00 175.30 175.17 2jqj s ASN 93 N -1.72 4.76 -0.09 0.23 0.02 -1.26 -2.74 114.94 114.14 2jqj s ASN 93 Ca 0.26 -0.18 0.03 0.00 -1.02 0.00 0.00 52.86 51.95 2jqj s ASN 93 Cb -0.13 -1.79 0.01 0.00 0.02 0.00 0.00 41.25 39.35 2jqj s ASN 93 CO 0.16 0.11 -0.19 -0.76 0.02 0.00 0.00 177.10 176.44 2jqj s LEU 94 N 0.71 1.91 -0.05 0.60 1.43 -1.17 -4.95 118.68 117.16 2jqj s LEU 94 Ca -0.01 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2jqj s LEU 94 Cb -0.14 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 2jqj s LEU 94 CO 0.02 0.10 -0.22 -0.63 0.23 0.00 0.00 176.35 175.85 2jqj s ILE 95 N 0.55 2.41 0.01 -0.59 -1.09 -1.14 -2.66 121.20 118.69 2jqj s ILE 95 Ca -0.15 -0.96 0.05 0.00 -2.23 0.00 0.00 60.65 57.36 2jqj s ILE 95 Cb -0.17 -1.89 -0.03 0.00 -1.58 0.00 0.00 42.46 38.79 2jqj s ILE 95 CO 0.05 0.58 -0.13 0.21 -1.23 0.00 0.00 174.94 174.42 2jqj s ASN 96 N -0.46 4.14 -0.09 3.58 2.47 -0.01 0.77 114.94 125.35 2jqj s ASN 96 Ca 0.05 -0.29 0.02 0.00 0.42 0.00 0.00 52.86 53.07 2jqj s ASN 96 Cb -0.12 -0.82 -0.02 0.00 -1.45 0.00 0.00 41.25 38.84 2jqj s ASN 96 CO 0.01 0.28 -0.15 -0.69 -3.72 0.00 0.00 177.10 172.83 2jqj s VAL 97 N -0.93 2.96 -0.16 -5.21 1.01 -0.59 -0.28 120.40 117.21 2jqj s VAL 97 Ca 0.15 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2jqj s VAL 97 Cb -0.11 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.10 2jqj s VAL 97 CO 0.05 0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 174.89 2jqj s ILE 98 N -0.17 1.95 -0.24 2.22 -1.09 0.54 -2.86 121.20 121.56 2jqj s ILE 98 Ca -0.01 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.41 2jqj s ILE 98 Cb -0.13 -1.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 2jqj s ILE 98 CO 0.03 0.52 0.26 -1.81 -1.23 0.00 0.00 174.94 172.72 2jqj s ASP 99 N 1.24 6.22 0.18 3.58 1.11 -1.26 -2.28 116.67 125.45 2jqj s ASP 99 Ca 0.03 0.24 0.14 0.00 0.18 0.00 0.00 52.55 53.13 2jqj s ASP 99 Cb -0.13 -2.16 -0.05 0.00 1.07 0.00 0.00 42.92 41.65 2jqj s ASP 99 CO -0.10 -0.03 1.22 0.11 1.18 0.00 0.00 175.17 177.55 2jqj h LYS 100 N 7.68 0.00 -4.48 8.23 1.79 -1.85 -3.50 116.57 124.44 2jqj h LYS 100 Ca -0.36 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.12 2jqj h LYS 100 Cb 1.17 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.73 2jqj h LYS 100 CO 0.66 0.54 -1.16 0.43 -1.08 0.00 0.00 179.45 178.84 2jqj n SER 101 N -3.16 -1.23 0.00 0.86 7.64 -1.26 -5.02 113.62 111.46 2jqj n SER 101 Ca -0.02 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2jqj n SER 101 Cb 0.81 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.83 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 1.20 0.00 -0.08 1.43 1.74 -1.26 -5.02 116.66 114.67 2jqj n ARG 102 Ca -0.29 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.65 2jqj n ARG 102 Cb 0.45 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.84 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 -1.36 1.67 0.00 0.55 4.13 -1.26 -5.11 115.26 113.88 2jqj n ASN 103 Ca 0.00 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2jqj n ASN 103 Cb 0.00 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 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 1.78 2.59 3.23 7.41 0.00 -1.26 -4.88 105.19 114.05 2jqj n GLY 104 Ca -0.25 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 2jqj n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqj s THR 105 N 0.00 2.33 -0.21 2.61 2.01 -1.26 0.94 115.64 122.05 2jqj s THR 105 Ca 0.00 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.12 2jqj s THR 105 Cb 0.00 -1.94 0.04 0.00 0.01 0.00 0.00 72.50 70.61 2jqj s THR 105 CO 0.00 0.54 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.97 2jqj s PHE 106 N 0.65 2.89 -0.07 4.92 0.40 0.42 -4.00 117.98 123.19 2jqj s PHE 106 Ca -0.10 -1.90 0.03 0.00 -0.60 0.00 0.00 56.93 54.36 2jqj s PHE 106 Cb -0.16 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 2jqj s PHE 106 CO 0.02 -0.82 -0.14 -1.50 0.70 0.00 0.00 175.22 173.48 2jqj s ILE 107 N 1.24 3.06 -1.56 0.64 1.10 -0.76 -0.30 121.20 124.61 2jqj s ILE 107 Ca -0.02 -0.71 0.00 0.00 -0.51 0.00 0.00 60.65 59.41 2jqj s ILE 107 Cb -0.16 -2.22 0.00 0.00 0.15 0.00 0.00 42.46 40.23 2jqj s ILE 107 CO -0.09 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.91 2jqj n ASN 108 N 2.63 -5.19 0.00 4.50 5.03 -0.07 -1.52 115.26 120.64 2jqj n ASN 108 Ca -0.17 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.30 2jqj n ASN 108 Cb 0.52 -4.26 0.00 0.00 -1.02 0.00 0.00 39.78 35.02 2jqj n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqj n GLY 109 N -1.00 0.35 3.04 7.41 0.00 -1.26 -4.98 105.19 108.75 2jqj n GLY 109 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 2jqj n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqj s ASN 110 N -2.12 0.99 0.08 1.61 2.20 -0.58 -5.12 114.94 112.00 2jqj s ASN 110 Ca 0.00 -0.32 -0.31 0.00 -0.94 0.00 0.00 52.86 51.29 2jqj s ASN 110 Cb 0.00 -0.06 -0.07 0.00 -2.00 0.00 0.00 41.25 39.13 2jqj s ASN 110 CO 0.00 -0.01 1.35 -0.60 -2.94 0.00 0.00 177.10 174.90 2jqj s ARG 111 N -0.78 4.34 -0.01 3.55 3.52 -1.26 -1.84 118.95 126.47 2jqj s ARG 111 Ca -0.01 1.99 -0.16 0.00 -0.13 0.00 0.00 55.73 57.41 2jqj s ARG 111 Cb -0.06 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.94 2jqj s ARG 111 CO 0.00 -0.43 0.45 -1.17 -0.81 0.00 0.00 175.30 173.35 2jqj s LEU 112 N 1.37 4.45 0.00 -0.88 1.98 -1.26 -4.95 118.68 119.39 2jqj s LEU 112 Ca 0.63 0.99 0.00 0.00 -2.89 0.00 0.00 54.13 52.87 2jqj s LEU 112 Cb -0.34 -2.67 0.00 0.00 0.66 0.00 0.00 46.19 43.84 2jqj s LEU 112 CO 0.29 0.25 0.00 1.33 -1.89 0.00 0.00 176.35 176.33 2jqj n VAL 113 N 2.17 0.00 -0.46 1.68 0.24 -1.26 -5.01 118.33 115.70 2jqj n VAL 113 Ca -0.12 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.04 2jqj n VAL 113 Cb 0.52 -0.66 0.13 0.00 -1.47 0.00 0.00 33.84 32.35 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 -2.54 -2.62 -4.55 7.34 5.02 -1.26 -5.08 118.16 114.47 2jqj n LYS 114 Ca 0.00 -0.75 -0.26 0.00 -2.02 0.00 0.00 58.31 55.29 2jqj n LYS 114 Cb 0.46 -0.81 -0.10 0.00 -0.02 0.00 0.00 35.03 34.55 2jqj n LYS 114 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jqj s LYS 115 N -4.07 1.85 -0.92 1.97 2.20 -1.26 -4.88 119.74 114.63 2jqj s LYS 115 Ca 0.32 -2.06 -0.04 0.00 -0.36 0.00 0.00 55.97 53.84 2jqj s LYS 115 Cb -0.04 -1.25 -0.04 0.00 -1.51 0.00 0.00 37.83 34.99 2jqj s LYS 115 CO 0.26 -0.16 0.82 -3.47 -0.36 0.00 0.00 175.35 172.44 2jqj n ASP 116 N -0.89 -6.93 -4.77 1.43 2.03 -1.26 -4.97 116.55 101.18 2jqj n ASP 116 Ca -0.05 -0.48 -0.39 0.00 0.52 0.00 0.00 54.79 54.39 2jqj n ASP 116 Cb 0.67 -5.14 -0.06 0.00 -0.72 0.00 0.00 41.12 35.87 2jqj n ASP 116 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jqj s TYR 117 N -3.25 3.88 -0.30 -0.67 6.14 -1.13 -4.96 117.35 117.06 2jqj s TYR 117 Ca 0.30 1.61 -0.13 0.00 0.64 0.00 0.00 57.07 59.48 2jqj s TYR 117 Cb -0.04 -2.78 -0.04 0.00 0.42 0.00 0.00 41.96 39.53 2jqj s TYR 117 CO 0.73 0.48 0.28 -1.50 0.64 0.00 0.00 175.55 176.17 2jqj s ILE 118 N -0.97 5.25 -0.28 3.14 1.10 -1.26 -1.54 121.20 126.64 2jqj s ILE 118 Ca 0.36 0.20 -0.10 0.00 -0.51 0.00 0.00 60.65 60.59 2jqj s ILE 118 Cb -0.23 -3.65 -0.05 0.00 0.15 0.00 0.00 42.46 38.68 2jqj s ILE 118 CO 0.26 0.13 0.17 -0.22 -2.11 0.00 0.00 174.94 173.17 2jqj s LEU 119 N 1.88 3.94 0.51 8.50 1.98 0.23 -4.95 118.68 130.78 2jqj s LEU 119 Ca 0.10 -0.04 0.02 0.00 -2.89 0.00 0.00 54.13 51.32 2jqj s LEU 119 Cb -0.16 -2.09 -0.01 0.00 0.66 0.00 0.00 46.19 44.59 2jqj s LEU 119 CO 0.11 -0.05 0.05 -0.75 -1.89 0.00 0.00 176.35 173.82 2jqj s LYS 120 N 1.74 2.20 0.31 1.98 2.20 -1.26 -2.89 119.74 124.01 2jqj s LYS 120 Ca 0.07 -2.34 -0.30 0.00 -0.36 0.00 0.00 55.97 53.04 2jqj s LYS 120 Cb -0.16 -1.61 -0.11 0.00 -1.51 0.00 0.00 37.83 34.44 2jqj s LYS 120 CO 0.10 -0.38 1.59 0.54 -0.36 0.00 0.00 175.35 176.85 2jqj s ASN 121 N -3.92 6.34 -0.27 1.43 2.20 -1.26 -3.53 114.94 115.92 2jqj s ASN 121 Ca 0.10 2.99 -0.01 0.00 -0.94 0.00 0.00 52.86 55.01 2jqj s ASN 121 Cb 0.01 -2.64 -0.01 0.00 -2.00 0.00 0.00 41.25 36.61 2jqj s ASN 121 CO 0.06 -0.93 0.24 0.61 -2.94 0.00 0.00 177.10 174.13 2jqj n GLY 122 N 1.93 0.34 3.20 0.45 0.00 -1.07 -5.05 105.19 104.99 2jqj n GLY 122 Ca 0.07 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.19 2.60 -0.31 1.61 1.01 -1.17 -4.99 116.67 112.23 2jqj s ASP 123 Ca 0.07 -0.43 -0.13 0.00 0.71 0.00 0.00 52.55 52.77 2jqj s ASP 123 Cb -0.01 -0.74 -0.03 0.00 1.01 0.00 0.00 42.92 43.15 2jqj s ASP 123 CO 0.18 0.19 0.24 0.00 0.21 0.00 0.00 175.17 176.00 2jqj s ARG 124 N -0.04 3.70 -0.10 8.23 1.70 -1.26 -0.70 118.95 130.48 2jqj s ARG 124 Ca -0.04 -0.46 0.02 0.00 -0.47 0.00 0.00 55.73 54.77 2jqj s ARG 124 Cb -0.13 -3.74 -0.02 0.00 -0.57 0.00 0.00 34.95 30.49 2jqj s ARG 124 CO 0.03 -0.35 -0.15 0.42 -1.08 0.00 0.00 175.30 174.17 2jqj s ILE 125 N 1.79 2.90 -0.10 4.99 1.01 0.73 -0.89 121.20 131.64 2jqj s ILE 125 Ca 0.07 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.01 2jqj s ILE 125 Cb -0.17 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.13 2jqj s ILE 125 CO 0.11 0.55 -0.18 -0.69 0.00 0.00 0.00 174.94 174.73 2jqj s VAL 126 N 0.00 1.62 -0.15 2.92 1.01 0.59 -1.32 120.40 125.08 2jqj s VAL 126 Ca -0.05 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2jqj s VAL 126 Cb -0.14 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 2jqj s VAL 126 CO 0.04 0.46 -0.16 -0.36 0.00 0.00 0.00 175.10 175.09 2jqj s PHE 127 N 0.72 2.76 0.00 5.22 0.08 -0.53 -0.43 117.98 125.80 2jqj s PHE 127 Ca -0.12 -1.02 0.00 0.00 0.12 0.00 0.00 56.93 55.91 2jqj s PHE 127 Cb -0.16 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 2jqj s PHE 127 CO 0.03 -0.45 0.00 0.41 -0.10 0.00 0.00 175.22 175.10 2jqj n GLY 128 N 3.97 1.99 0.00 4.36 0.00 0.27 -3.60 105.19 112.18 2jqj n GLY 128 Ca -0.19 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.11 1.61 4.81 -1.26 -4.49 118.16 118.72 2jqj n LYS 129 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 2jqj n LYS 129 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 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 2.00 -4.51 3.14 3.41 -1.26 -4.89 113.62 111.50 2jqj n SER 130 Ca 0.00 0.01 -0.44 0.00 -0.26 0.00 0.00 58.87 58.18 2jqj n SER 130 Cb 0.00 -0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 63.32 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 9.08 2.63 0.04 0.00 1.04 -1.26 -1.45 113.70 123.78 2jqj s SER 132 Ca 1.08 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 57.00 2jqj s SER 132 Cb -0.60 -1.17 -0.02 0.00 0.10 0.00 0.00 66.02 64.33 2jqj s SER 132 CO 0.40 -0.02 0.04 0.72 0.98 0.00 0.00 173.24 175.36 2jqj s PHE 133 N 1.23 0.32 -0.09 5.02 -0.71 -0.43 0.57 117.98 123.89 2jqj s PHE 133 Ca -0.01 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.19 2jqj s PHE 133 Cb -0.14 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.42 2jqj s PHE 133 CO -0.06 -0.35 -0.14 -1.17 -1.34 0.00 0.00 175.22 172.15 2jqj s LEU 134 N -2.35 2.70 -0.07 -1.99 2.96 0.83 -0.19 118.68 120.58 2jqj s LEU 134 Ca -0.02 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 2jqj s LEU 134 Cb 0.01 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2jqj s LEU 134 CO -0.06 0.25 0.22 0.12 -1.32 0.00 0.00 176.35 175.55 2jqj s PHE 135 N -0.13 3.62 0.05 5.38 2.19 0.13 -2.31 117.98 126.90 2jqj s PHE 135 Ca -0.01 0.62 -0.20 0.00 0.33 0.00 0.00 56.93 57.67 2jqj s PHE 135 Cb -0.14 -2.01 0.04 0.00 -1.31 0.00 0.00 43.02 39.61 2jqj s PHE 135 CO 0.03 0.69 0.47 0.21 1.83 0.00 0.00 175.22 178.46 2jqj s LYS 136 N -1.22 0.98 0.13 10.12 2.47 -1.16 -2.60 119.74 128.46 2jqj s LYS 136 Ca 0.20 -0.29 -0.23 0.00 -1.56 0.00 0.00 55.97 54.09 2jqj s LYS 136 Cb -0.13 0.44 -0.07 0.00 -1.46 0.00 0.00 37.83 36.61 2jqj s LYS 136 CO 0.09 -0.35 0.70 0.71 0.16 0.00 0.00 175.35 176.66 2jqj s TYR 137 N -2.45 3.86 0.22 4.03 2.02 -1.26 -0.91 117.35 122.85 2jqj s TYR 137 Ca -0.05 1.49 0.05 0.00 -0.37 0.00 0.00 57.07 58.18 2jqj s TYR 137 Cb -0.01 -2.66 -0.03 0.00 -0.40 0.00 0.00 41.96 38.86 2jqj s TYR 137 CO -0.02 0.54 0.32 0.00 -1.57 0.00 0.00 175.55 174.82 2jqj s ALA 138 N -1.15 3.90 -0.17 3.71 0.00 -0.45 -4.87 121.76 122.74 2jqj s ALA 138 Ca 0.33 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.94 2jqj s ALA 138 Cb -0.22 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 2jqj s ALA 138 CO 0.23 0.32 -0.29 0.43 0.00 0.00 0.00 175.76 176.45 2jqj n SER 139 N -1.17 1.90 -3.28 0.00 7.64 -1.26 -4.73 113.62 112.72 2jqj n SER 139 Ca -0.08 0.43 0.01 0.00 1.01 0.00 0.00 58.87 60.23 2jqj n SER 139 Cb 0.56 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 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 -5.88 -1.09 -1.09 6.43 0.15 -1.26 -5.02 113.70 105.94 2jqj s SER 140 Ca -0.25 0.92 -0.17 0.00 0.70 0.00 0.00 55.95 57.15 2jqj s SER 140 Cb 0.04 2.02 0.13 0.00 -1.71 0.00 0.00 66.02 66.50 2jqj s SER 140 CO 0.36 -0.26 1.36 -0.55 1.20 0.00 0.00 173.24 175.36 2jqj s SER 141 N 2.82 6.81 0.03 5.45 0.15 -1.26 -4.56 113.70 123.13 2jqj s SER 141 Ca 0.14 -2.38 0.00 0.00 0.70 0.00 0.00 55.95 54.42 2jqj s SER 141 Cb -0.14 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2jqj s SER 141 CO -0.20 -1.01 0.00 -0.24 1.20 0.00 0.00 173.24 172.99 2jqj n SER 142 N 6.74 0.02 -4.26 5.45 2.88 -1.26 -5.02 113.62 118.17 2jqj n SER 142 Ca 0.33 0.05 -0.44 0.00 -1.33 0.00 0.00 58.87 57.48 2jqj n SER 142 Cb 0.47 0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 2jqj n SER 142 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2jqj s THR 143 N -1.13 4.95 0.45 2.46 -4.23 -1.26 -5.06 115.64 111.82 2jqj s THR 143 Ca 0.00 -2.22 -0.22 0.00 -1.18 0.00 0.00 61.69 58.07 2jqj s THR 143 Cb 0.00 -4.14 -0.08 0.00 1.34 0.00 0.00 72.50 69.63 2jqj s THR 143 CO 0.00 -0.92 1.10 -1.81 -0.54 0.00 0.00 174.62 172.45 2jqj s ASP 144 N 2.32 6.33 -0.32 3.99 1.01 -1.26 -4.94 116.67 123.79 2jqj s ASP 144 Ca 0.12 2.14 0.10 0.00 0.71 0.00 0.00 52.55 55.62 2jqj s ASP 144 Cb -0.19 -2.59 0.70 0.00 1.01 0.00 0.00 42.92 41.85 2jqj s ASP 144 CO -0.04 -0.80 1.75 -0.38 0.21 0.00 0.00 175.17 175.91 2jqj n ILE 145 N -0.53 2.87 -3.71 0.77 2.08 -1.26 -4.96 119.36 114.62 2jqj n ILE 145 Ca 0.07 -1.81 -0.21 0.00 0.56 0.00 0.00 62.75 61.36 2jqj n ILE 145 Cb 0.50 -0.36 -0.04 0.00 -0.75 0.00 0.00 39.64 38.99 2jqj n ILE 145 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2jqj s GLU 146 N -3.04 2.60 0.75 0.38 2.02 -1.26 -5.14 118.70 115.01 2jqj s GLU 146 Ca 0.53 -1.44 -0.06 0.00 0.02 0.00 0.00 54.97 54.02 2jqj s GLU 146 Cb 0.43 -2.40 0.11 0.00 0.10 0.00 0.00 34.13 32.37 2jqj s GLU 146 CO 0.11 -0.05 1.05 -0.80 0.02 0.00 0.00 175.26 175.59 2jqj s ASN 147 N -4.05 4.38 -1.45 -0.19 0.01 -1.26 -4.37 114.94 108.01 2jqj s ASN 147 Ca 0.44 0.13 -0.06 0.00 -0.71 0.00 0.00 52.86 52.67 2jqj s ASN 147 Cb -0.04 -0.60 0.01 0.00 0.41 0.00 0.00 41.25 41.02 2jqj s ASN 147 CO 0.27 -1.86 0.78 0.47 -1.51 0.00 0.00 177.10 175.25 2jqj n ASP 148 N -3.01 -6.10 -0.06 -1.22 8.00 -1.26 -4.91 116.55 107.98 2jqj n ASP 148 Ca 0.11 -0.36 -0.22 0.00 0.71 0.00 0.00 54.79 55.04 2jqj n ASP 148 Cb 0.60 -4.85 -0.13 0.00 -0.02 0.00 0.00 41.12 36.72 2jqj n ASP 148 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jqj n ASP 149 N -2.54 2.02 -4.12 -2.24 -0.08 -1.26 -4.71 116.55 103.62 2jqj n ASP 149 Ca -0.07 0.18 -0.37 0.00 -1.51 0.00 0.00 54.79 53.02 2jqj n ASP 149 Cb 0.60 -0.77 -0.08 0.00 2.34 0.00 0.00 41.12 43.21 2jqj n ASP 149 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2jqj s GLU 150 N -2.51 2.91 0.32 -0.67 2.02 -1.26 -5.03 118.70 114.48 2jqj s GLU 150 Ca -0.29 -2.80 -0.06 0.00 0.02 0.00 0.00 54.97 51.84 2jqj s GLU 150 Cb 0.08 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.45 2jqj s GLU 150 CO 0.66 -1.22 0.49 0.21 0.02 0.00 0.00 175.26 175.42 2jqj s LYS 151 N -0.52 1.83 0.33 1.61 2.47 -1.26 -5.19 119.74 119.01 2jqj s LYS 151 Ca 0.21 -1.62 0.07 0.00 -1.56 0.00 0.00 55.97 53.07 2jqj s LYS 151 Cb -0.15 0.46 -0.03 0.00 -1.46 0.00 0.00 37.83 36.65 2jqj s LYS 151 CO -0.07 -0.77 0.29 1.33 0.16 0.00 0.00 175.35 176.30 2jqj n VAL 152 N -0.51 0.00 -2.46 4.02 0.24 -1.26 -5.06 118.33 113.30 2jqj n VAL 152 Ca -0.00 -2.39 -0.05 0.00 -2.04 0.00 0.00 64.34 59.86 2jqj n VAL 152 Cb 0.62 1.20 -0.04 0.00 -1.47 0.00 0.00 33.84 34.15 2jqj n VAL 152 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2jqj n SER 153 N -1.69 -1.13 0.12 -1.34 7.64 -1.26 -5.04 113.62 110.92 2jqj n SER 153 Ca 0.07 1.25 0.00 0.00 1.01 0.00 0.00 58.87 61.21 2jqj n SER 153 Cb 0.60 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 2jqj n SER 153 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jqj n SER 154 N 1.55 -1.11 0.00 6.43 2.88 -1.26 -5.03 113.62 117.08 2jqj n SER 154 Ca -0.36 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2jqj n SER 154 Cb 0.55 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 65.20 2jqj n SER 154 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2jqj n GLU 155 N -3.15 0.00 0.01 -1.46 0.28 -1.26 -5.09 120.64 109.96 2jqj n GLU 155 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jqj n GLU 155 Cb 0.00 -0.46 0.00 0.00 1.43 0.00 0.00 31.44 32.41 2jqj n GLU 155 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2jqj n SER 156 N -2.17 -0.09 -3.78 -1.84 2.88 -1.26 -5.16 113.62 102.19 2jqj n SER 156 Ca 0.00 0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.51 2jqj n SER 156 Cb 0.16 0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 63.79 2jqj n SER 156 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2jqj s ARG 157 N -1.11 1.14 -0.01 -1.46 0.52 -1.26 -4.93 118.95 111.84 2jqj s ARG 157 Ca 0.00 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 2jqj s ARG 157 Cb 0.00 0.44 0.10 0.00 0.52 0.00 0.00 34.95 36.01 2jqj s ARG 157 CO 0.00 -0.44 1.27 0.45 0.02 0.00 0.00 175.30 176.61 2jqj s SER 158 N -2.87 -0.02 0.00 0.23 0.15 -1.26 -5.10 113.70 104.83 2jqj s SER 158 Ca 0.08 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2jqj s SER 158 Cb 0.02 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2jqj s SER 158 CO -0.06 -0.33 0.47 -1.22 1.20 0.00 0.00 173.24 173.30