#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2q s THR 2 N 0.00 -0.10 0.01 12.58 -1.32 -1.25 -0.07 115.64 125.49 1j2q s THR 2 Ca 0.00 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1j2q s THR 2 Cb 0.00 -0.97 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 1j2q s THR 2 CO 0.00 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 172.81 1j2q s THR 3 N 1.75 0.12 0.24 5.08 -4.23 0.60 -2.61 115.64 116.59 1j2q s THR 3 Ca -0.10 -0.37 0.08 0.00 -1.18 0.00 0.00 61.69 60.13 1j2q s THR 3 Cb -0.06 -0.17 -0.05 0.00 1.34 0.00 0.00 72.50 73.56 1j2q s THR 3 CO -0.19 -0.16 -0.13 0.68 -0.54 0.00 0.00 174.62 174.28 1j2q s VAL 4 N -0.54 1.84 -0.19 2.29 -7.23 0.10 0.42 120.40 117.10 1j2q s VAL 4 Ca -0.05 -2.22 -0.11 0.00 -1.81 0.00 0.00 61.98 57.79 1j2q s VAL 4 Cb -0.04 -2.20 0.06 0.00 0.56 0.00 0.00 36.38 34.76 1j2q s VAL 4 CO -0.00 -0.48 0.47 -0.83 -0.31 0.00 0.00 175.10 173.95 1j2q s GLY 5 N -3.39 -0.40 -0.01 2.32 0.00 0.11 -1.61 107.32 104.34 1j2q s GLY 5 Ca 0.26 1.73 0.01 0.00 0.00 0.00 0.00 44.72 46.72 1j2q s GLY 5 CO 0.10 1.85 -0.04 0.48 0.00 0.00 0.00 173.10 175.49 1j2q s LEU 6 N 1.46 1.74 -0.43 0.66 2.34 -0.22 -1.67 118.68 122.55 1j2q s LEU 6 Ca -0.10 -0.08 -0.19 0.00 0.06 0.00 0.00 54.13 53.83 1j2q s LEU 6 Cb -0.08 -0.26 0.02 0.00 -0.56 0.00 0.00 46.19 45.32 1j2q s LEU 6 CO -0.14 0.01 0.53 0.68 -1.06 0.00 0.00 176.35 176.36 1j2q s VAL 7 N 0.27 4.98 0.77 1.48 -7.23 -0.32 -1.41 120.40 118.93 1j2q s VAL 7 Ca -0.03 -0.17 -0.04 0.00 -1.81 0.00 0.00 61.98 59.93 1j2q s VAL 7 Cb -0.06 -4.12 0.16 0.00 0.56 0.00 0.00 36.38 32.92 1j2q s VAL 7 CO -0.00 -0.51 1.05 0.00 -0.31 0.00 0.00 175.10 175.33 1j2q h LYS 9 N 0.00 0.00 -0.20 0.00 2.10 -1.58 -3.30 116.57 113.59 1j2q h LYS 9 Ca -0.34 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.19 1j2q h LYS 9 Cb 1.18 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.44 1j2q h LYS 9 CO 0.33 0.51 -0.30 -0.40 -2.00 0.00 0.00 179.45 177.60 1j2q n ASP 10 N -3.45 2.19 0.00 7.07 5.75 -1.26 -5.08 116.55 121.77 1j2q n ASP 10 Ca 0.00 -3.85 0.00 0.00 -0.01 0.00 0.00 54.79 50.93 1j2q n ASP 10 Cb 0.63 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1j2q n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j2q n GLY 11 N -1.11 0.58 2.91 6.12 0.00 -1.24 -4.64 105.19 107.80 1j2q n GLY 11 Ca 0.27 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 1j2q n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j2q s VAL 12 N -3.52 0.13 0.01 1.61 1.01 -0.21 -1.21 120.40 118.23 1j2q s VAL 12 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1j2q s VAL 12 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1j2q s VAL 12 CO 0.00 -0.03 -0.19 -0.69 0.00 0.00 0.00 175.10 174.19 1j2q s VAL 13 N -0.21 1.49 -0.09 2.92 1.01 -0.50 -0.34 120.40 124.67 1j2q s VAL 13 Ca -0.01 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1j2q s VAL 13 Cb -0.02 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1j2q s VAL 13 CO -0.00 0.28 0.25 -0.04 0.00 0.00 0.00 175.10 175.59 1j2q s MET 14 N -0.79 0.29 0.11 2.72 -1.94 -0.75 -1.06 119.30 117.88 1j2q s MET 14 Ca 0.07 0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 54.27 1j2q s MET 14 Cb -0.08 0.14 0.01 0.00 2.01 0.00 0.00 34.83 36.91 1j2q s MET 14 CO 0.00 -0.04 0.27 0.00 -0.01 0.00 0.00 175.02 175.25 1j2q s ALA 15 N 0.10 -0.41 0.20 3.03 0.00 -0.63 -0.28 121.76 123.77 1j2q s ALA 15 Ca -0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 51.96 51.32 1j2q s ALA 15 Cb -0.02 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.73 1j2q s ALA 15 CO 0.00 -0.58 0.47 0.95 0.00 0.00 0.00 175.76 176.61 1j2q s THR 16 N -3.86 0.03 0.09 0.00 -4.23 -0.82 -0.72 115.64 106.13 1j2q s THR 16 Ca 0.06 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1j2q s THR 16 Cb 0.04 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.13 1j2q s THR 16 CO -0.09 -0.13 0.12 -1.84 -0.54 0.00 0.00 174.62 172.14 1j2q n GLU 17 N -0.33 0.95 -0.32 3.99 -0.00 -1.07 -0.83 120.64 123.02 1j2q n GLU 17 Ca -0.08 -0.49 0.07 0.00 -0.00 0.00 0.00 57.16 56.67 1j2q n GLU 17 Cb 0.62 -0.04 0.18 0.00 -0.00 0.00 0.00 31.44 32.21 1j2q n GLU 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1j2q n LYS 18 N -1.19 1.68 -3.69 3.44 4.76 -1.04 -4.74 118.16 117.38 1j2q n LYS 18 Ca 0.03 -2.84 -0.36 0.00 -2.87 0.00 0.00 58.31 52.26 1j2q n LYS 18 Cb 0.09 -1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 31.61 1j2q n LYS 18 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1j2q s ARG 19 N -2.99 3.67 -0.06 1.97 3.52 -1.10 -1.46 118.95 122.50 1j2q s ARG 19 Ca 0.36 0.09 0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1j2q s ARG 19 Cb 0.32 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.60 1j2q s ARG 19 CO 0.01 0.68 -0.05 0.00 -0.81 0.00 0.00 175.30 175.13 1j2q s ALA 20 N -1.19 0.82 0.20 6.12 0.00 -0.50 -4.44 121.76 122.77 1j2q s ALA 20 Ca 0.24 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.09 1j2q s ALA 20 Cb -0.14 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1j2q s ALA 20 CO 0.13 -0.07 -0.07 0.95 0.00 0.00 0.00 175.76 176.69 1j2q s THR 21 N 1.04 1.27 -0.36 0.00 -4.23 -1.26 -0.82 115.64 111.29 1j2q s THR 21 Ca -0.09 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 1j2q s THR 21 Cb -0.14 -2.09 0.14 0.00 1.34 0.00 0.00 72.50 71.75 1j2q s THR 21 CO -0.00 -0.55 0.22 -0.32 -0.54 0.00 0.00 174.62 173.43 1j2q s MET 22 N -3.76 0.57 6.16 3.99 1.75 -0.69 -4.89 119.30 122.43 1j2q s MET 22 Ca 0.22 -1.37 0.00 0.00 -1.25 0.00 0.00 55.69 53.30 1j2q s MET 22 Cb 0.03 -1.28 0.00 0.00 2.84 0.00 0.00 34.83 36.42 1j2q s MET 22 CO 0.05 -1.22 0.00 0.41 -0.65 0.00 0.00 175.02 173.61 1j2q n GLY 23 N 3.97 1.34 0.00 2.11 0.00 -1.26 -2.70 105.19 108.65 1j2q n GLY 23 Ca 0.13 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.59 1j2q n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j2q n ASN 24 N 7.02 0.96 -4.68 1.61 5.03 -1.26 -4.91 115.26 119.02 1j2q n ASN 24 Ca 0.00 -0.95 -0.42 0.00 0.87 0.00 0.00 54.58 54.08 1j2q n ASN 24 Cb 0.00 1.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.74 1j2q n ASN 24 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1j2q s PHE 25 N -3.02 2.41 -0.63 3.10 5.36 -1.10 -4.94 117.98 119.17 1j2q s PHE 25 Ca 0.08 0.47 -0.23 0.00 -0.96 0.00 0.00 56.93 56.28 1j2q s PHE 25 Cb 0.16 -3.83 0.06 0.00 -0.34 0.00 0.00 43.02 39.08 1j2q s PHE 25 CO 0.87 -3.30 0.95 0.42 -1.46 0.00 0.00 175.22 172.69 1j2q s ILE 26 N 3.13 4.36 0.10 3.12 1.01 -1.26 -1.70 121.20 129.97 1j2q s ILE 26 Ca 0.69 -0.24 0.11 0.00 0.00 0.00 0.00 60.65 61.22 1j2q s ILE 26 Cb -0.34 -4.64 -0.08 0.00 0.01 0.00 0.00 42.46 37.42 1j2q s ILE 26 CO 0.28 -1.36 1.44 0.00 0.00 0.00 0.00 174.94 175.30 1j2q h ALA 27 N 9.49 0.62 -2.53 9.38 0.00 -1.32 -3.46 119.26 131.45 1j2q h ALA 27 Ca -0.28 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 53.85 1j2q h ALA 27 Cb 1.07 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.51 1j2q h ALA 27 CO 1.15 0.93 -0.14 0.45 0.00 0.00 0.00 179.25 181.64 1j2q s SER 28 N -6.66 -0.53 0.00 0.00 0.15 -0.80 -4.97 113.70 100.89 1j2q s SER 28 Ca 0.01 1.01 0.20 0.00 0.70 0.00 0.00 55.95 57.87 1j2q s SER 28 Cb 0.10 1.00 0.03 0.00 -1.71 0.00 0.00 66.02 65.44 1j2q s SER 28 CO 0.78 -0.18 1.02 0.29 1.20 0.00 0.00 173.24 176.35 1j2q n LYS 29 N 3.01 1.53 -2.37 5.44 4.76 -1.25 -1.41 118.16 127.87 1j2q n LYS 29 Ca -0.15 -1.10 0.01 0.00 -2.87 0.00 0.00 58.31 54.20 1j2q n LYS 29 Cb 0.57 -1.39 0.04 0.00 -1.84 0.00 0.00 35.03 32.41 1j2q n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j2q n ALA 30 N 0.20 2.61 -1.76 7.82 0.00 -0.91 -4.60 120.51 123.87 1j2q n ALA 30 Ca 0.09 -2.67 -0.39 0.00 0.00 0.00 0.00 53.44 50.47 1j2q n ALA 30 Cb 0.44 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 19.09 1j2q n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2q s ALA 31 N -2.62 3.08 -0.12 0.00 0.00 -0.54 -4.97 121.76 116.59 1j2q s ALA 31 Ca 0.30 1.24 -0.21 0.00 0.00 0.00 0.00 51.96 53.29 1j2q s ALA 31 Cb 0.35 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1j2q s ALA 31 CO -0.08 -1.01 0.62 0.21 0.00 0.00 0.00 175.76 175.51 1j2q s LYS 32 N -2.55 4.35 -0.01 0.00 2.20 -1.26 -4.58 119.74 117.90 1j2q s LYS 32 Ca 0.63 0.70 0.01 0.00 -0.36 0.00 0.00 55.97 56.94 1j2q s LYS 32 Cb -0.38 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.47 1j2q s LYS 32 CO 0.47 0.01 0.71 1.63 -0.36 0.00 0.00 175.35 177.81 1j2q n LYS 33 N 4.09 0.93 -4.23 4.03 5.02 -1.26 -4.97 118.16 121.77 1j2q n LYS 33 Ca -0.03 -0.91 -0.26 0.00 -2.02 0.00 0.00 58.31 55.09 1j2q n LYS 33 Cb 0.51 -0.69 -0.17 0.00 -0.02 0.00 0.00 35.03 34.67 1j2q n LYS 33 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1j2q s ILE 34 N -0.41 1.11 0.10 -0.18 -1.16 -1.26 -1.18 121.20 118.23 1j2q s ILE 34 Ca 0.01 -0.40 0.09 0.00 -0.51 0.00 0.00 60.65 59.84 1j2q s ILE 34 Cb 0.01 -1.07 -0.03 0.00 0.61 0.00 0.00 42.46 41.98 1j2q s ILE 34 CO 0.00 0.37 -0.23 -0.31 -2.81 0.00 0.00 174.94 171.96 1j2q s TYR 35 N 1.20 2.00 -0.27 3.50 2.02 0.16 -4.96 117.35 120.99 1j2q s TYR 35 Ca -0.04 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 1j2q s TYR 35 Cb -0.14 -1.11 -0.05 0.00 -0.40 0.00 0.00 41.96 40.27 1j2q s TYR 35 CO -0.03 0.23 0.26 -1.14 -1.57 0.00 0.00 175.55 173.30 1j2q s GLN 36 N -1.83 3.99 -0.21 -0.62 0.74 -1.26 -0.12 119.66 120.36 1j2q s GLN 36 Ca 0.09 -0.18 -0.20 0.00 0.05 0.00 0.00 55.36 55.12 1j2q s GLN 36 Cb -0.10 -3.65 -0.18 0.00 1.10 0.00 0.00 33.01 30.19 1j2q s GLN 36 CO 0.04 -0.19 0.16 -0.89 -0.55 0.00 0.00 175.29 173.86 1j2q n ILE 37 N 5.01 1.53 -3.91 -2.34 2.08 -0.28 -4.95 119.36 116.49 1j2q n ILE 37 Ca -0.12 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.16 1j2q n ILE 37 Cb 0.52 -2.06 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 1j2q n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1j2q n ALA 38 N -3.48 0.00 -0.21 -1.39 0.00 -1.12 -4.71 120.51 109.60 1j2q n ALA 38 Ca -0.32 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 1j2q n ALA 38 Cb 0.67 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.14 1j2q n ALA 38 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1j2q h ASP 39 N 0.00 1.01 -0.83 0.00 3.32 -1.97 -3.24 116.42 114.71 1j2q h ASP 39 Ca 0.00 -0.30 -0.54 0.00 0.02 0.00 0.00 57.03 56.21 1j2q h ASP 39 Cb 0.00 -0.27 -0.43 0.00 0.22 0.00 0.00 39.33 38.85 1j2q h ASP 39 CO 0.00 1.06 -0.82 0.54 -1.72 0.00 0.00 179.24 178.30 1j2q n ARG 40 N -4.23 3.52 -3.74 3.56 5.12 -1.26 -4.65 116.66 114.98 1j2q n ARG 40 Ca 0.03 -4.18 -0.13 0.00 -1.93 0.00 0.00 57.85 51.63 1j2q n ARG 40 Cb 0.33 -2.25 -0.14 0.00 -1.16 0.00 0.00 32.46 29.24 1j2q n ARG 40 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1j2q s MET 41 N -3.60 0.11 0.31 5.56 1.75 -1.22 -0.12 119.30 122.09 1j2q s MET 41 Ca 0.50 0.41 0.05 0.00 -1.25 0.00 0.00 55.69 55.39 1j2q s MET 41 Cb 0.41 -0.17 -0.06 0.00 2.84 0.00 0.00 34.83 37.84 1j2q s MET 41 CO 0.01 -0.17 0.01 0.00 -0.65 0.00 0.00 175.02 174.22 1j2q s ALA 42 N 1.22 2.38 -0.10 4.11 0.00 0.12 -1.13 121.76 128.37 1j2q s ALA 42 Ca -0.09 -2.01 -0.06 0.00 0.00 0.00 0.00 51.96 49.80 1j2q s ALA 42 Cb -0.11 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.50 1j2q s ALA 42 CO -0.06 -0.22 0.24 1.41 0.00 0.00 0.00 175.76 177.13 1j2q s MET 43 N -3.82 0.23 0.00 0.00 1.75 0.84 -1.54 119.30 116.75 1j2q s MET 43 Ca 0.34 0.44 0.03 0.00 -1.25 0.00 0.00 55.69 55.24 1j2q s MET 43 Cb 0.07 -0.02 -0.03 0.00 2.84 0.00 0.00 34.83 37.68 1j2q s MET 43 CO 0.14 -0.11 -0.04 0.95 -0.65 0.00 0.00 175.02 175.31 1j2q s THR 44 N 0.80 3.86 -0.13 10.11 -4.23 0.37 0.38 115.64 126.80 1j2q s THR 44 Ca -0.06 -0.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 1j2q s THR 44 Cb -0.07 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.08 1j2q s THR 44 CO -0.05 0.38 -0.19 0.42 -0.54 0.00 0.00 174.62 174.64 1j2q s THR 45 N -1.04 1.82 0.04 3.99 -4.23 -0.32 -1.93 115.64 113.96 1j2q s THR 45 Ca 0.18 -0.83 0.08 0.00 -1.18 0.00 0.00 61.69 59.94 1j2q s THR 45 Cb -0.11 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1j2q s THR 45 CO 0.09 0.50 -0.23 0.00 -0.54 0.00 0.00 174.62 174.44 1j2q s ALA 46 N 0.90 1.97 0.00 3.99 0.00 -0.64 -4.86 121.76 123.13 1j2q s ALA 46 Ca -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1j2q s ALA 46 Cb -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1j2q s ALA 46 CO -0.02 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1j2q n GLY 47 N 1.85 0.19 3.68 0.00 0.00 -1.26 0.71 105.19 110.36 1j2q n GLY 47 Ca -0.17 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1j2q n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j2q s SER 48 N -4.00 6.78 0.10 1.61 0.15 0.14 -4.92 113.70 113.56 1j2q s SER 48 Ca 0.00 2.19 -0.31 0.00 0.70 0.00 0.00 55.95 58.53 1j2q s SER 48 Cb 0.00 -2.56 -0.12 0.00 -1.71 0.00 0.00 66.02 61.63 1j2q s SER 48 CO 0.00 -0.78 1.60 0.58 1.20 0.00 0.00 173.24 175.84 1j2q h VAL 49 N 5.00 0.22 -1.01 4.45 2.07 -1.95 0.18 116.25 125.21 1j2q h VAL 49 Ca -0.39 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1j2q h VAL 49 Cb 1.18 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1j2q h VAL 49 CO 0.92 0.00 0.65 1.23 0.02 0.00 0.00 177.57 180.39 1j2q h GLY 50 N -0.72 1.53 0.77 2.17 0.00 -1.98 0.95 103.07 105.78 1j2q h GLY 50 Ca -0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1j2q h GLY 50 CO -0.13 0.34 -0.07 -0.55 0.00 0.00 0.00 176.54 176.13 1j2q h ASP 51 N 1.18 0.34 0.05 0.19 3.45 -1.82 -1.77 116.42 118.05 1j2q h ASP 51 Ca 0.43 -0.40 -0.00 0.00 0.43 0.00 0.00 57.03 57.49 1j2q h ASP 51 Cb 0.16 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1j2q h ASP 51 CO -0.17 0.67 -0.02 0.00 -1.57 0.00 0.00 179.24 178.14 1j2q h ALA 52 N 0.69 -0.06 -0.99 3.45 0.00 -0.27 -0.78 119.26 121.29 1j2q h ALA 52 Ca 0.04 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1j2q h ALA 52 Cb 0.53 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1j2q h ALA 52 CO 0.02 -0.51 0.65 1.96 0.00 0.00 0.00 179.25 181.37 1j2q h GLN 53 N -0.12 1.21 0.11 0.00 4.20 -0.85 0.19 115.11 119.84 1j2q h GLN 53 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1j2q h GLN 53 Cb 0.11 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.62 1j2q h GLN 53 CO 0.01 0.80 -0.05 0.35 -0.67 0.00 0.00 178.83 179.27 1j2q h PHE 54 N 1.24 -0.13 -0.62 2.96 3.57 -1.01 -2.74 116.94 120.20 1j2q h PHE 54 Ca 0.40 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1j2q h PHE 54 Cb 0.02 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1j2q h PHE 54 CO -0.00 0.08 0.36 -0.07 -2.23 0.00 0.00 178.31 176.45 1j2q h LEU 55 N -0.33 0.75 -0.02 0.59 4.07 -0.77 -2.68 115.31 116.92 1j2q h LEU 55 Ca -0.01 -0.05 0.02 0.00 0.08 0.00 0.00 57.88 57.92 1j2q h LEU 55 Cb 0.28 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1j2q h LEU 55 CO 0.02 0.59 -0.11 0.00 -1.08 0.00 0.00 178.44 177.87 1j2q h ALA 56 N 1.54 -0.11 -0.21 1.53 0.00 -0.41 0.37 119.26 121.97 1j2q h ALA 56 Ca 0.22 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1j2q h ALA 56 Cb -0.01 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1j2q h ALA 56 CO -0.04 -0.59 -0.17 0.00 0.00 0.00 0.00 179.25 178.44 1j2q h ARG 57 N -0.18 -0.17 -0.39 0.00 3.08 -1.19 0.12 114.38 115.64 1j2q h ARG 57 Ca 0.05 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1j2q h ARG 57 Cb 0.24 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 1j2q h ARG 57 CO -0.12 -0.11 0.07 0.82 -1.07 0.00 0.00 179.97 179.56 1j2q h ILE 58 N -0.18 0.79 0.19 2.04 1.08 -1.23 -0.95 117.51 119.26 1j2q h ILE 58 Ca 0.13 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 1j2q h ILE 58 Cb 0.37 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 1j2q h ILE 58 CO -0.32 0.04 -0.21 0.40 -0.69 0.00 0.00 178.15 177.37 1j2q h ILE 59 N 0.20 0.55 0.37 -0.67 1.08 0.08 -1.37 117.51 117.75 1j2q h ILE 59 Ca 0.19 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.66 1j2q h ILE 59 Cb 0.23 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1j2q h ILE 59 CO -0.26 0.00 -0.44 0.11 -0.69 0.00 0.00 178.15 176.88 1j2q h LYS 60 N -0.44 -0.81 -0.71 2.37 1.57 -0.70 -0.82 116.57 117.03 1j2q h LYS 60 Ca 0.00 0.06 0.16 0.00 -1.87 0.00 0.00 60.65 59.00 1j2q h LYS 60 Cb 0.42 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 32.80 1j2q h LYS 60 CO -0.06 -0.54 0.09 0.82 -0.57 0.00 0.00 179.45 179.20 1j2q h ILE 61 N -0.84 0.46 -0.08 1.86 5.03 -1.09 0.04 117.51 122.89 1j2q h ILE 61 Ca -0.03 -0.06 -0.10 0.00 -0.12 0.00 0.00 64.86 64.54 1j2q h ILE 61 Cb 0.77 0.26 -0.01 0.00 -3.03 0.00 0.00 36.82 34.80 1j2q h ILE 61 CO -0.11 0.03 -0.42 -0.33 -0.68 0.00 0.00 178.15 176.65 1j2q h GLU 62 N 0.19 0.18 -0.06 2.37 5.08 -0.84 -1.22 114.58 120.27 1j2q h GLU 62 Ca 0.40 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1j2q h GLU 62 Cb 0.68 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1j2q h GLU 62 CO -0.56 0.57 -0.01 0.00 -1.00 0.00 0.00 179.01 178.02 1j2q h ALA 63 N 1.42 0.09 0.11 3.43 0.00 0.35 -2.07 119.26 122.60 1j2q h ALA 63 Ca 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1j2q h ALA 63 Cb 0.80 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1j2q h ALA 63 CO 0.06 -0.22 -0.17 -0.91 0.00 0.00 0.00 179.25 178.01 1j2q h ASN 64 N -0.20 -0.49 -1.11 0.00 2.35 -0.77 -2.09 115.58 113.28 1j2q h ASN 64 Ca 0.02 0.04 0.32 0.00 -0.55 0.00 0.00 56.30 56.14 1j2q h ASN 64 Cb 0.37 0.17 -0.12 0.00 0.05 0.00 0.00 38.32 38.79 1j2q h ASN 64 CO 0.00 -0.21 0.70 0.25 -1.65 0.00 0.00 177.43 176.53 1j2q h LEU 65 N -0.30 0.42 0.24 1.61 5.85 -1.31 0.14 115.31 121.96 1j2q h LEU 65 Ca -0.01 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1j2q h LEU 65 Cb 0.27 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1j2q h LEU 65 CO -0.05 -0.03 -0.15 0.22 -0.34 0.00 0.00 178.44 178.08 1j2q h TYR 66 N 0.30 -0.40 0.28 1.25 3.20 -0.71 -0.57 116.97 120.33 1j2q h TYR 66 Ca 0.69 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.54 1j2q h TYR 66 Cb 1.83 0.14 0.00 0.00 1.54 0.00 0.00 36.73 40.24 1j2q h TYR 66 CO -0.00 -0.24 -0.13 1.49 -1.64 0.00 0.00 178.16 177.63 1j2q h GLU 67 N -0.38 -0.36 -0.92 1.82 4.81 -0.31 0.39 114.58 119.63 1j2q h GLU 67 Ca -0.02 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.44 1j2q h GLU 67 Cb 0.32 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.67 1j2q h GLU 67 CO 0.02 -0.08 0.48 0.82 -0.73 0.00 0.00 179.01 179.51 1j2q h ILE 68 N -0.61 0.59 0.18 2.32 5.03 -1.04 1.39 117.51 125.37 1j2q h ILE 68 Ca -0.04 -0.19 -0.31 0.00 -0.12 0.00 0.00 64.86 64.20 1j2q h ILE 68 Cb 0.44 -0.01 0.03 0.00 -3.03 0.00 0.00 36.82 34.25 1j2q h ILE 68 CO 0.06 0.10 -1.33 0.03 -0.68 0.00 0.00 178.15 176.33 1j2q h ARG 69 N 0.55 0.59 -0.03 2.37 3.08 -0.95 -3.35 114.38 116.64 1j2q h ARG 69 Ca 0.56 -0.87 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1j2q h ARG 69 Cb 0.97 0.30 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1j2q h ARG 69 CO -0.45 1.41 -0.03 0.54 -1.07 0.00 0.00 179.97 180.36 1j2q n ARG 70 N -3.78 2.12 -1.79 0.04 1.74 0.11 -4.96 116.66 110.14 1j2q n ARG 70 Ca -0.15 -1.80 -0.16 0.00 -0.77 0.00 0.00 57.85 54.97 1j2q n ARG 70 Cb 1.03 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.98 1j2q n ARG 70 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1j2q n GLU 71 N 1.19 -1.58 -4.17 5.56 1.02 0.47 -4.93 120.64 118.21 1j2q n GLU 71 Ca 0.13 0.87 -0.17 0.00 -0.02 0.00 0.00 57.16 57.97 1j2q n GLU 71 Cb 0.56 -5.27 -0.12 0.00 -0.02 0.00 0.00 31.44 26.59 1j2q n GLU 71 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1j2q s ARG 72 N -3.92 0.71 0.31 3.49 0.52 -1.23 -5.04 118.95 113.79 1j2q s ARG 72 Ca 0.00 -0.79 -0.25 0.00 -0.52 0.00 0.00 55.73 54.17 1j2q s ARG 72 Cb 0.00 -0.63 -0.10 0.00 0.52 0.00 0.00 34.95 34.75 1j2q s ARG 72 CO 0.00 0.14 0.90 0.15 0.02 0.00 0.00 175.30 176.51 1j2q s LYS 73 N -1.45 4.51 0.38 3.54 1.02 -1.26 -3.65 119.74 122.83 1j2q s LYS 73 Ca -0.04 1.24 -0.25 0.00 0.02 0.00 0.00 55.97 56.94 1j2q s LYS 73 Cb -0.09 -2.80 -0.09 0.00 -0.52 0.00 0.00 37.83 34.32 1j2q s LYS 73 CO 0.01 0.30 1.04 -1.25 -0.92 0.00 0.00 175.35 174.53 1j2q s PRO 74 N -2.06 4.26 0.54 -1.68 0.04 -1.26 -4.99 135.00 129.86 1j2q s PRO 74 Ca 0.49 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 1j2q s PRO 74 Cb -0.18 -2.63 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 1j2q s PRO 74 CO 0.23 -0.05 1.01 -0.08 0.04 0.00 0.00 177.00 178.14 1j2q s THR 75 N -1.62 4.39 0.42 1.26 -1.32 -1.26 -4.91 115.64 112.60 1j2q s THR 75 Ca 0.56 1.11 0.10 0.00 -1.21 0.00 0.00 61.69 62.24 1j2q s THR 75 Cb -0.22 -3.66 0.30 0.00 -1.51 0.00 0.00 72.50 67.41 1j2q s THR 75 CO 0.28 -0.69 2.01 -0.37 -2.21 0.00 0.00 174.62 173.64 1j2q h VAL 76 N 0.69 1.00 -0.65 5.08 -1.51 -1.94 -1.01 116.25 117.90 1j2q h VAL 76 Ca -0.46 -0.18 0.01 0.00 -1.23 0.00 0.00 66.70 64.84 1j2q h VAL 76 Cb 1.19 0.44 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 1j2q h VAL 76 CO 0.61 0.09 0.42 -0.09 -1.23 0.00 0.00 177.57 177.37 1j2q h ARG 77 N 0.51 0.83 -0.53 5.19 2.43 -1.96 0.15 114.38 121.00 1j2q h ARG 77 Ca 0.23 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1j2q h ARG 77 Cb 0.25 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1j2q h ARG 77 CO -0.06 0.55 0.05 0.00 -1.51 0.00 0.00 179.97 178.99 1j2q h ALA 78 N 1.25 0.71 -0.30 2.80 0.00 -1.58 0.11 119.26 122.25 1j2q h ALA 78 Ca 0.24 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1j2q h ALA 78 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1j2q h ALA 78 CO -0.07 0.49 -0.36 0.82 0.00 0.00 0.00 179.25 180.13 1j2q h ILE 79 N 0.79 1.29 -0.53 0.00 1.08 -1.03 -1.25 117.51 117.86 1j2q h ILE 79 Ca 0.16 -1.52 -0.11 0.00 -0.39 0.00 0.00 64.86 63.00 1j2q h ILE 79 Cb 0.46 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 1j2q h ILE 79 CO 0.02 0.49 -0.09 0.00 -0.69 0.00 0.00 178.15 177.88 1j2q h ALA 80 N 1.03 0.72 -0.35 1.87 0.00 -0.47 -0.36 119.26 121.70 1j2q h ALA 80 Ca 0.06 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1j2q h ALA 80 Cb 0.88 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1j2q h ALA 80 CO 0.08 0.62 -0.14 1.15 0.00 0.00 0.00 179.25 180.96 1j2q h THR 81 N 0.87 1.28 0.00 0.00 2.02 -0.71 -0.03 112.91 116.34 1j2q h THR 81 Ca 0.14 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.10 1j2q h THR 81 Cb 0.65 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1j2q h THR 81 CO 0.05 0.41 -0.12 0.25 0.37 0.00 0.00 175.52 176.47 1j2q h LEU 82 N 0.49 -0.35 -0.53 2.58 5.85 -1.07 -1.50 115.31 120.78 1j2q h LEU 82 Ca 0.08 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1j2q h LEU 82 Cb 0.67 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1j2q h LEU 82 CO 0.04 -0.17 0.27 0.74 -0.34 0.00 0.00 178.44 178.98 1j2q h THR 83 N -0.21 1.19 0.29 1.05 2.02 -0.99 -2.20 112.91 114.06 1j2q h THR 83 Ca 0.04 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1j2q h THR 83 Cb 0.26 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1j2q h THR 83 CO -0.12 0.21 -0.48 0.28 0.37 0.00 0.00 175.52 175.78 1j2q h SER 84 N 0.71 -1.37 -0.76 4.18 0.02 -0.68 0.13 113.55 115.78 1j2q h SER 84 Ca 0.18 0.13 0.15 0.00 -0.84 0.00 0.00 61.79 61.41 1j2q h SER 84 Cb 0.09 0.48 -0.10 0.00 0.14 0.00 0.00 62.40 63.02 1j2q h SER 84 CO -0.03 -0.58 0.30 0.78 -1.14 0.00 0.00 176.83 176.16 1j2q h ASN 85 N -0.83 0.27 0.18 3.07 -0.26 -1.20 0.21 115.58 117.02 1j2q h ASN 85 Ca -0.02 0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1j2q h ASN 85 Cb 0.78 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.14 1j2q h ASN 85 CO -0.17 0.09 -0.08 0.25 -1.06 0.00 0.00 177.43 176.46 1j2q h LEU 86 N 0.43 -0.20 -0.21 1.61 5.85 -0.95 -0.80 115.31 121.04 1j2q h LEU 86 Ca 0.42 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.10 1j2q h LEU 86 Cb 0.64 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1j2q h LEU 86 CO -0.41 -0.04 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.54 1j2q h LEU 87 N -0.35 -0.16 -1.53 2.25 -0.00 -0.14 -2.39 115.31 113.00 1j2q h LEU 87 Ca -0.02 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1j2q h LEU 87 Cb 0.27 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1j2q h LEU 87 CO 0.04 -0.05 -0.09 -1.13 -0.00 0.00 0.00 178.44 177.21 1j2q h ASN 88 N 0.02 0.18 -0.08 -0.43 -0.73 -0.47 -1.73 115.58 112.35 1j2q h ASN 88 Ca 0.10 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 1j2q h ASN 88 Cb 0.15 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 1j2q h ASN 88 CO -0.20 0.30 0.04 0.77 -0.37 0.00 0.00 177.43 177.97 1j2q h SER 89 N 0.19 0.13 -0.63 1.15 4.64 -0.61 -0.23 113.55 118.20 1j2q h SER 89 Ca 0.04 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.17 1j2q h SER 89 Cb 0.28 -0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 62.23 1j2q h SER 89 CO 0.01 0.13 0.24 -1.22 -0.87 0.00 0.00 176.83 175.12 1j2q n TYR 90 N -4.49 2.09 0.33 4.77 4.01 -0.65 -4.66 117.16 118.56 1j2q n TYR 90 Ca -0.01 -1.04 0.17 0.00 -0.16 0.00 0.00 57.90 56.85 1j2q n TYR 90 Cb 0.11 -0.61 0.91 0.00 -0.31 0.00 0.00 39.34 39.43 1j2q n TYR 90 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1j2q h ARG 91 N 2.24 0.00 -0.26 -0.72 0.11 -1.01 0.84 114.38 115.57 1j2q h ARG 91 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1j2q h ARG 91 Cb 2.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.17 1j2q h ARG 91 CO 0.63 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.36 1j2q n TYR 92 N -2.90 0.32 -2.71 4.08 4.01 -1.26 -4.18 117.16 114.53 1j2q n TYR 92 Ca -0.02 -0.16 -0.07 0.00 -0.16 0.00 0.00 57.90 57.49 1j2q n TYR 92 Cb 0.29 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.42 1j2q n TYR 92 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1j2q n PHE 93 N 0.97 -2.08 -1.33 -0.72 3.01 -0.54 -5.16 117.46 111.62 1j2q n PHE 93 Ca 0.18 -1.68 -0.35 0.00 1.01 0.00 0.00 57.45 56.61 1j2q n PHE 93 Cb 0.49 1.49 0.11 0.00 -0.01 0.00 0.00 39.48 41.56 1j2q n PHE 93 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1j2q s PRO 94 N 0.19 1.94 -0.32 -1.08 0.04 0.18 -4.92 135.00 131.03 1j2q s PRO 94 Ca 0.21 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 1j2q s PRO 94 Cb 0.29 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 33.05 1j2q s PRO 94 CO -0.10 -2.01 1.12 0.71 0.04 0.00 0.00 177.00 176.76 1j2q s TYR 95 N -1.86 3.06 -1.08 0.56 1.51 -1.26 -4.92 117.35 113.35 1j2q s TYR 95 Ca 0.77 1.12 -0.23 0.00 -1.01 0.00 0.00 57.07 57.72 1j2q s TYR 95 Cb -0.32 -3.75 -0.06 0.00 -0.11 0.00 0.00 41.96 37.71 1j2q s TYR 95 CO 0.47 -0.96 1.91 -0.51 -1.11 0.00 0.00 175.55 175.35 1j2q s LEU 96 N 3.79 3.15 -0.09 -1.29 1.02 -1.26 -4.42 118.68 119.58 1j2q s LEU 96 Ca 0.47 -1.34 -0.15 0.00 0.02 0.00 0.00 54.13 53.14 1j2q s LEU 96 Cb -0.13 -2.58 0.03 0.00 0.02 0.00 0.00 46.19 43.54 1j2q s LEU 96 CO 0.17 -2.81 0.38 0.54 0.02 0.00 0.00 176.35 174.65 1j2q s VAL 97 N 10.15 0.02 -0.21 -1.59 0.11 -1.26 0.28 120.40 127.90 1j2q s VAL 97 Ca 0.68 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.54 1j2q s VAL 97 Cb -0.03 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1j2q s VAL 97 CO 0.07 -0.10 -0.12 -1.10 -3.33 0.00 0.00 175.10 170.52 1j2q s GLN 98 N -0.45 3.04 0.10 1.54 -1.52 0.22 -2.82 119.66 119.76 1j2q s GLN 98 Ca -0.06 -0.82 0.07 0.00 -1.95 0.00 0.00 55.36 52.60 1j2q s GLN 98 Cb -0.04 -2.79 -0.04 0.00 -0.22 0.00 0.00 33.01 29.92 1j2q s GLN 98 CO 0.02 -0.26 -0.09 -0.51 -0.25 0.00 0.00 175.29 174.21 1j2q s LEU 99 N 1.34 3.10 -0.23 2.90 1.43 0.10 -1.62 118.68 125.71 1j2q s LEU 99 Ca 0.04 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1j2q s LEU 99 Cb -0.14 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.25 1j2q s LEU 99 CO -0.08 0.18 -0.06 -0.22 0.23 0.00 0.00 176.35 176.40 1j2q s LEU 100 N -2.23 2.46 -0.19 1.79 2.96 -0.81 0.42 118.68 123.07 1j2q s LEU 100 Ca 0.22 -1.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.03 1j2q s LEU 100 Cb -0.11 -1.15 0.04 0.00 0.50 0.00 0.00 46.19 45.46 1j2q s LEU 100 CO 0.14 -0.23 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.18 1j2q s ILE 101 N 1.42 1.83 0.33 6.68 1.01 -0.08 -0.48 121.20 131.91 1j2q s ILE 101 Ca -0.05 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 1j2q s ILE 101 Cb -0.18 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.52 1j2q s ILE 101 CO -0.06 0.29 0.75 -0.83 0.00 0.00 0.00 174.94 175.09 1j2q s GLY 102 N 1.34 0.16 0.00 6.18 0.00 -0.59 -0.56 107.32 113.85 1j2q s GLY 102 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1j2q s GLY 102 CO -0.09 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.40 1j2q n GLY 103 N -0.50 -0.28 3.39 0.20 0.00 -0.66 0.17 105.19 107.52 1j2q n GLY 103 Ca -0.06 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1j2q n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2q s ILE 104 N -3.36 2.56 0.34 -0.61 1.01 0.83 -2.33 121.20 119.64 1j2q s ILE 104 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 1j2q s ILE 104 Cb 0.00 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.54 1j2q s ILE 104 CO 0.00 0.59 0.60 1.51 0.00 0.00 0.00 174.94 177.63 1j2q s ASP 105 N -0.66 0.37 0.55 3.58 3.84 0.31 -4.68 116.67 119.98 1j2q s ASP 105 Ca 0.10 -1.22 0.40 0.00 -0.00 0.00 0.00 52.55 51.84 1j2q s ASP 105 Cb -0.10 0.72 1.58 0.00 -1.38 0.00 0.00 42.92 43.74 1j2q s ASP 105 CO -0.00 -1.41 1.71 0.77 -0.00 0.00 0.00 175.17 176.24 1j2q h SER 106 N 2.09 0.00 1.47 2.11 4.64 -1.96 0.48 113.55 122.38 1j2q h SER 106 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1j2q h SER 106 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1j2q h SER 106 CO 0.38 0.00 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.85 1j2q h GLU 106 N 0.00 0.00 0.00 4.77 5.08 -2.01 -3.50 114.58 118.92 1j2q h GLU 106 Ca 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 1j2q h GLU 106 Cb 2.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.00 1j2q h GLU 106 CO -0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.41 1j2q n GLY 107 N 1.26 0.39 3.36 -3.84 0.00 0.17 -5.06 105.19 101.46 1j2q n GLY 107 Ca 0.05 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1j2q n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j2q s LYS 108 N -1.30 2.26 -0.01 1.61 1.02 -1.26 -0.53 119.74 121.53 1j2q s LYS 108 Ca 0.00 -0.86 -0.29 0.00 0.02 0.00 0.00 55.97 54.84 1j2q s LYS 108 Cb 0.00 -2.15 0.10 0.00 -0.52 0.00 0.00 37.83 35.26 1j2q s LYS 108 CO 0.00 0.57 0.97 -1.54 -0.92 0.00 0.00 175.35 174.43 1j2q s SER 109 N -0.62 -0.28 0.00 2.83 1.04 -0.99 -5.03 113.70 110.65 1j2q s SER 109 Ca 0.10 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.47 1j2q s SER 109 Cb -0.10 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 1j2q s SER 109 CO -0.00 -0.59 -0.05 -0.63 0.98 0.00 0.00 173.24 172.95 1j2q s ILE 110 N -3.00 0.35 -0.06 -1.02 1.01 -1.21 -1.65 121.20 115.63 1j2q s ILE 110 Ca 0.07 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1j2q s ILE 110 Cb -0.01 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 1j2q s ILE 110 CO -0.06 0.05 -0.23 -0.31 0.00 0.00 0.00 174.94 174.38 1j2q s TYR 111 N -0.22 2.30 -0.22 3.97 1.51 0.28 0.49 117.35 125.47 1j2q s TYR 111 Ca 0.01 -0.69 -0.07 0.00 -1.01 0.00 0.00 57.07 55.30 1j2q s TYR 111 Cb -0.02 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1j2q s TYR 111 CO -0.00 -0.22 0.05 0.45 -1.11 0.00 0.00 175.55 174.72 1j2q s SER 112 N -0.10 5.18 -0.05 2.29 0.15 -0.39 -0.90 113.70 119.88 1j2q s SER 112 Ca -0.04 -0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.52 1j2q s SER 112 Cb -0.14 -1.91 -0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1j2q s SER 112 CO 0.04 0.05 -0.19 -0.63 1.20 0.00 0.00 173.24 173.71 1j2q s ILE 113 N 1.11 1.56 0.54 6.45 1.01 0.17 -0.59 121.20 131.44 1j2q s ILE 113 Ca 0.04 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.98 1j2q s ILE 113 Cb -0.14 -1.34 0.06 0.00 0.01 0.00 0.00 42.46 41.05 1j2q s ILE 113 CO 0.03 0.45 0.74 1.51 0.00 0.00 0.00 174.94 177.66 1j2q s ASP 114 N 0.02 5.22 0.52 3.58 3.84 -0.69 0.00 116.67 129.17 1j2q s ASP 114 Ca -0.05 -0.65 0.30 0.00 -0.00 0.00 0.00 52.55 52.16 1j2q s ASP 114 Cb -0.12 -0.07 1.44 0.00 -1.38 0.00 0.00 42.92 42.79 1j2q s ASP 114 CO 0.03 -1.20 1.87 -0.65 -0.00 0.00 0.00 175.17 175.22 1j2q h PRO 115 N 0.26 0.05 -0.46 2.11 0.11 -1.73 0.21 132.00 132.55 1j2q h PRO 115 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1j2q h PRO 115 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1j2q h PRO 115 CO 0.42 0.03 0.00 -0.89 -0.21 0.00 0.00 178.00 177.36 1j2q n ILE 116 N -4.29 0.61 -1.93 4.15 -0.00 -1.26 -4.37 119.36 112.28 1j2q n ILE 116 Ca 0.20 -0.67 -0.03 0.00 -0.00 0.00 0.00 62.75 62.25 1j2q n ILE 116 Cb 0.97 0.45 -0.00 0.00 -0.00 0.00 0.00 39.64 41.06 1j2q n ILE 116 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1j2q n GLY 117 N 1.34 0.29 3.60 7.39 0.00 0.74 -3.61 105.19 114.94 1j2q n GLY 117 Ca 0.18 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1j2q n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j2q s GLY 118 N -2.87 1.73 -0.18 -0.02 0.00 -1.25 -4.74 107.32 99.99 1j2q s GLY 118 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 1j2q s GLY 118 CO 0.00 1.62 -0.09 0.00 0.00 0.00 0.00 173.10 174.63 1j2q s ALA 119 N 2.83 2.72 0.00 3.20 0.00 -1.26 -1.71 121.76 127.54 1j2q s ALA 119 Ca 0.29 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1j2q s ALA 119 Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1j2q s ALA 119 CO 0.13 -0.13 0.00 -0.89 0.00 0.00 0.00 175.76 174.87 1j2q n ILE 120 N 4.22 0.00 -3.26 0.00 -0.00 0.24 -4.92 119.36 115.64 1j2q n ILE 120 Ca -0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.53 1j2q n ILE 120 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 40.11 1j2q n ILE 120 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1j2q s GLU 121 N 4.93 0.45 0.00 0.38 8.01 0.18 -1.27 118.70 131.38 1j2q s GLU 121 Ca 0.00 0.67 0.15 0.00 0.01 0.00 0.00 54.97 55.80 1j2q s GLU 121 Cb 0.00 -0.04 0.46 0.00 -4.31 0.00 0.00 34.13 30.24 1j2q s GLU 121 CO 0.00 -0.69 1.36 1.63 0.01 0.00 0.00 175.26 177.57 1j2q n LYS 121 N 5.39 1.86 0.02 1.61 5.02 -1.26 -3.36 118.16 127.44 1j2q n LYS 121 Ca -0.02 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 1j2q n LYS 121 Cb 0.51 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1j2q n LYS 121 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1j2q n ASP 122 N 0.56 -0.29 -4.36 4.39 5.68 -1.26 -4.82 116.55 116.45 1j2q n ASP 122 Ca 0.14 0.09 -0.29 0.00 -0.50 0.00 0.00 54.79 54.23 1j2q n ASP 122 Cb 0.33 0.53 -0.13 0.00 -1.14 0.00 0.00 41.12 40.70 1j2q n ASP 122 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1j2q s ILE 123 N -1.12 2.13 -0.29 2.12 -1.09 -1.26 -1.18 121.20 120.52 1j2q s ILE 123 Ca 0.00 -1.61 -0.22 0.00 -2.23 0.00 0.00 60.65 56.59 1j2q s ILE 123 Cb 0.00 -1.88 0.13 0.00 -1.58 0.00 0.00 42.46 39.14 1j2q s ILE 123 CO 0.00 0.15 1.05 0.54 -1.23 0.00 0.00 174.94 175.45 1j2q s VAL 124 N -0.99 0.00 0.15 2.92 0.11 -0.67 -4.94 120.40 116.97 1j2q s VAL 124 Ca 0.12 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.23 1j2q s VAL 124 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1j2q s VAL 124 CO 0.05 0.00 -0.12 0.00 -3.33 0.00 0.00 175.10 171.70 1j2q s ALA 125 N 0.54 1.54 0.04 1.54 0.00 -1.26 0.05 121.76 124.21 1j2q s ALA 125 Ca -0.00 -1.46 -0.15 0.00 0.00 0.00 0.00 51.96 50.36 1j2q s ALA 125 Cb -0.05 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1j2q s ALA 125 CO -0.10 -0.02 0.33 0.99 0.00 0.00 0.00 175.76 176.96 1j2q s THR 127 N -2.93 0.07 0.00 0.00 2.01 0.17 -4.90 115.64 110.06 1j2q s THR 127 Ca 0.15 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1j2q s THR 127 Cb -0.00 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1j2q s THR 127 CO 0.02 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 1j2q n GLY 128 N 0.65 0.22 0.34 4.40 0.00 -1.26 -0.29 105.19 109.24 1j2q n GLY 128 Ca -0.19 -1.93 0.20 0.00 0.00 0.00 0.00 46.02 44.10 1j2q n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j2q h SER 129 N 0.00 0.00 -0.02 1.61 4.64 -0.89 -0.87 113.55 118.02 1j2q h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j2q h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1j2q h SER 129 CO 0.00 0.00 -0.39 0.61 -0.87 0.00 0.00 176.83 176.18 1j2q n GLY 130 N -1.13 0.12 0.30 -0.77 0.00 -0.51 -4.66 105.19 98.55 1j2q n GLY 130 Ca -0.03 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1j2q n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j2q h SER 131 N 2.55 0.11 -0.63 1.61 4.64 -1.27 -1.60 113.55 118.96 1j2q h SER 131 Ca 0.00 0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1j2q h SER 131 Cb 0.73 0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1j2q h SER 131 CO 0.00 -0.08 0.42 -0.07 -0.87 0.00 0.00 176.83 176.22 1j2q h LEU 132 N 0.28 0.67 -0.02 5.97 3.38 -1.83 0.47 115.31 124.23 1j2q h LEU 132 Ca 0.53 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.45 1j2q h LEU 132 Cb 1.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1j2q h LEU 132 CO -0.59 0.47 -0.14 0.74 0.09 0.00 0.00 178.44 179.02 1j2q h THR 133 N 0.78 1.53 -0.48 0.22 2.02 -1.66 -3.07 112.91 112.25 1j2q h THR 133 Ca 0.25 -1.74 0.08 0.00 0.77 0.00 0.00 66.41 65.76 1j2q h THR 133 Cb 0.02 2.63 -0.07 0.00 -1.74 0.00 0.00 68.15 68.98 1j2q h THR 133 CO -0.06 0.47 0.07 0.00 0.37 0.00 0.00 175.52 176.37 1j2q h ALA 134 N 0.32 0.51 -0.90 6.16 0.00 -0.90 0.29 119.26 124.74 1j2q h ALA 134 Ca -0.01 0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.26 1j2q h ALA 134 Cb 0.84 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1j2q h ALA 134 CO 0.03 -0.33 0.63 1.88 0.00 0.00 0.00 179.25 181.45 1j2q h TYR 135 N 0.19 0.15 0.43 0.00 -1.99 -0.10 -1.49 116.97 114.17 1j2q h TYR 135 Ca 0.24 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.96 1j2q h TYR 135 Cb 0.33 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 1j2q h TYR 135 CO -0.25 0.03 -0.42 0.78 -0.00 0.00 0.00 178.16 178.31 1j2q h GLY 136 N 0.11 -1.18 1.21 3.88 0.00 -0.31 0.66 103.07 107.45 1j2q h GLY 136 Ca 0.44 0.54 -0.12 0.00 0.00 0.00 0.00 47.33 48.19 1j2q h GLY 136 CO -0.06 -0.36 -0.19 -0.39 0.00 0.00 0.00 176.54 175.54 1j2q h VAL 137 N -0.85 1.27 -0.36 4.60 -1.51 -1.43 -2.63 116.25 115.34 1j2q h VAL 137 Ca -0.06 -1.34 0.05 0.00 -1.23 0.00 0.00 66.70 64.13 1j2q h VAL 137 Cb 0.73 1.12 -0.05 0.00 -2.13 0.00 0.00 31.29 30.97 1j2q h VAL 137 CO -0.04 0.46 0.09 -0.07 -1.23 0.00 0.00 177.57 176.78 1j2q h LEU 138 N 0.80 0.06 0.00 4.19 3.38 -1.18 0.30 115.31 122.86 1j2q h LEU 138 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1j2q h LEU 138 Cb 0.74 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1j2q h LEU 138 CO 0.06 0.07 0.00 1.21 0.09 0.00 0.00 178.44 179.87 1j2q n GLU 139 N -5.06 0.04 -0.10 1.13 2.13 0.22 -1.90 120.64 117.09 1j2q n GLU 139 Ca 0.02 0.13 -0.19 0.00 0.66 0.00 0.00 57.16 57.78 1j2q n GLU 139 Cb 0.15 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.26 1j2q n GLU 139 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1j2q h ASP 140 N 0.00 0.00 0.23 4.31 -0.00 -0.70 -3.41 116.42 116.85 1j2q h ASP 140 Ca 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 1j2q h ASP 140 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.67 1j2q h ASP 140 CO 0.00 1.38 -0.57 0.54 -0.00 0.00 0.00 179.24 180.59 1j2q n ARG 141 N -4.46 0.37 -2.71 0.28 1.74 -0.08 -4.98 116.66 106.81 1j2q n ARG 141 Ca -0.28 -0.26 -0.36 0.00 -0.77 0.00 0.00 57.85 56.18 1j2q n ARG 141 Cb 0.62 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.51 1j2q n ARG 141 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1j2q s PHE 142 N -2.81 3.52 -0.08 -1.55 5.36 -0.80 -5.06 117.98 116.56 1j2q s PHE 142 Ca 0.14 1.72 -0.07 0.00 -0.96 0.00 0.00 56.93 57.76 1j2q s PHE 142 Cb 0.18 -2.98 0.02 0.00 -0.34 0.00 0.00 43.02 39.90 1j2q s PHE 142 CO 0.69 -0.09 0.20 0.95 -1.46 0.00 0.00 175.22 175.51 1j2q s THR 143 N -1.69 0.00 0.54 0.12 -4.23 -1.26 -5.01 115.64 104.12 1j2q s THR 143 Ca 0.54 -0.01 0.27 0.00 -1.18 0.00 0.00 61.69 61.30 1j2q s THR 143 Cb -0.19 -0.30 0.40 0.00 1.34 0.00 0.00 72.50 73.76 1j2q s THR 143 CO 0.24 -0.01 1.99 1.55 -0.54 0.00 0.00 174.62 177.85 1j2q h PRO 144 N 5.79 0.00 0.00 3.99 0.13 -1.97 0.71 132.00 140.65 1j2q h PRO 144 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1j2q h PRO 144 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1j2q h PRO 144 CO 0.38 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.54 1j2q n GLU 145 N -4.22 0.45 -1.64 0.86 4.71 -1.26 -3.79 120.64 115.75 1j2q n GLU 145 Ca 0.09 0.03 -0.40 0.00 -0.01 0.00 0.00 57.16 56.87 1j2q n GLU 145 Cb 0.61 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.57 1j2q n GLU 145 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1j2q n ILE 146 N -1.25 2.85 -4.11 -3.67 3.06 0.24 -4.67 119.36 111.81 1j2q n ILE 146 Ca 0.14 -0.50 -0.32 0.00 -2.50 0.00 0.00 62.75 59.57 1j2q n ILE 146 Cb 0.20 -1.27 -0.07 0.00 0.54 0.00 0.00 39.64 39.04 1j2q n ILE 146 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1j2q s GLY 147 N -0.83 2.00 0.40 4.50 0.00 -1.26 -2.48 107.32 109.64 1j2q s GLY 147 Ca 0.66 -0.95 0.24 0.00 0.00 0.00 0.00 44.72 44.68 1j2q s GLY 147 CO 0.54 -0.87 1.61 -0.39 0.00 0.00 0.00 173.10 174.00 1j2q h VAL 148 N 2.98 0.10 -0.57 1.40 -1.51 -1.92 0.13 116.25 116.86 1j2q h VAL 148 Ca -0.48 -0.03 -0.07 0.00 -1.23 0.00 0.00 66.70 64.89 1j2q h VAL 148 Cb 1.17 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 1j2q h VAL 148 CO 0.63 0.02 0.08 0.44 -1.23 0.00 0.00 177.57 177.51 1j2q h ASP 149 N 0.09 0.88 1.03 4.19 3.45 -1.96 -0.79 116.42 123.30 1j2q h ASP 149 Ca 0.82 -0.19 -0.07 0.00 0.43 0.00 0.00 57.03 58.02 1j2q h ASP 149 Cb 2.33 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 40.86 1j2q h ASP 149 CO -0.58 0.89 -1.01 1.05 -1.57 0.00 0.00 179.24 178.02 1j2q h GLU 150 N 0.87 0.00 -0.44 3.56 4.11 -1.35 -3.30 114.58 118.02 1j2q h GLU 150 Ca 0.18 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.56 1j2q h GLU 150 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1j2q h GLU 150 CO 0.01 0.15 0.09 0.00 0.07 0.00 0.00 179.01 179.32 1j2q h ALA 151 N 1.75 1.32 0.00 1.06 0.00 -0.29 0.48 119.26 123.58 1j2q h ALA 151 Ca -0.06 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1j2q h ALA 151 Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1j2q h ALA 151 CO 0.02 0.48 -0.40 -0.39 0.00 0.00 0.00 179.25 178.95 1j2q h VAL 152 N 0.65 1.16 0.11 0.00 -1.51 -1.24 0.61 116.25 116.03 1j2q h VAL 152 Ca 0.15 -1.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.17 1j2q h VAL 152 Cb 0.28 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1j2q h VAL 152 CO 0.00 0.40 -0.05 -0.08 -1.23 0.00 0.00 177.57 176.60 1j2q h GLU 153 N 0.00 -0.14 -0.54 5.19 4.81 -1.23 -1.78 114.58 120.89 1j2q h GLU 153 Ca -0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1j2q h GLU 153 Cb 0.77 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.09 1j2q h GLU 153 CO 0.05 0.26 -0.04 1.25 -0.73 0.00 0.00 179.01 179.81 1j2q h LEU 154 N -0.59 -0.32 -0.03 1.64 5.85 -0.67 0.21 115.31 121.40 1j2q h LEU 154 Ca -0.01 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1j2q h LEU 154 Cb 0.47 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1j2q h LEU 154 CO 0.02 -0.12 -0.15 0.00 -0.34 0.00 0.00 178.44 177.85 1j2q h ALA 155 N 1.50 -0.15 -0.63 1.25 0.00 -0.81 0.15 119.26 120.57 1j2q h ALA 155 Ca 0.27 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1j2q h ALA 155 Cb 0.42 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1j2q h ALA 155 CO -0.49 -0.63 0.41 0.28 0.00 0.00 0.00 179.25 178.82 1j2q h VAL 156 N -0.24 1.08 0.47 0.00 2.07 -0.36 -1.91 116.25 117.37 1j2q h VAL 156 Ca 0.06 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1j2q h VAL 156 Cb 0.32 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1j2q h VAL 156 CO -0.17 0.14 -0.23 -0.09 0.02 0.00 0.00 177.57 177.24 1j2q h ARG 157 N 0.74 -0.61 0.24 1.57 2.43 0.80 -1.25 114.38 118.29 1j2q h ARG 157 Ca 0.25 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1j2q h ARG 157 Cb 0.08 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1j2q h ARG 157 CO -0.07 -0.38 -0.19 0.00 -1.51 0.00 0.00 179.97 177.82 1j2q h ALA 158 N -0.17 -0.41 0.00 2.80 0.00 -0.32 -2.03 119.26 119.12 1j2q h ALA 158 Ca -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1j2q h ALA 158 Cb 0.51 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1j2q h ALA 158 CO 0.11 -0.75 -0.04 0.82 0.00 0.00 0.00 179.25 179.39 1j2q h ILE 159 N -0.43 0.43 -0.11 0.00 2.04 -1.39 -1.18 117.51 116.87 1j2q h ILE 159 Ca -0.01 -0.21 -0.21 0.00 1.00 0.00 0.00 64.86 65.43 1j2q h ILE 159 Cb 0.38 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1j2q h ILE 159 CO -0.01 0.04 -0.78 0.22 0.00 0.00 0.00 178.15 177.62 1j2q h TYR 160 N 0.00 0.83 -0.03 1.37 3.20 -0.59 -2.10 116.97 119.65 1j2q h TYR 160 Ca -0.00 -0.38 -0.00 0.00 3.14 0.00 0.00 58.73 61.49 1j2q h TYR 160 Cb 0.14 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1j2q h TYR 160 CO 0.00 1.18 0.00 0.77 -1.64 0.00 0.00 178.16 178.47 1j2q h SER 161 N 0.41 0.04 -0.84 -2.11 0.02 -0.59 -3.12 113.55 107.36 1j2q h SER 161 Ca -0.05 -0.26 0.11 0.00 -0.84 0.00 0.00 61.79 60.74 1j2q h SER 161 Cb 1.39 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.84 1j2q h SER 161 CO 0.15 0.29 0.47 0.00 -1.14 0.00 0.00 176.83 176.60 1j2q h ALA 162 N 0.75 1.21 0.00 3.77 0.00 -1.24 0.14 119.26 123.89 1j2q h ALA 162 Ca 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j2q h ALA 162 Cb 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1j2q h ALA 162 CO 0.00 0.07 -0.02 0.52 0.00 0.00 0.00 179.25 179.82 1j2q h MET 163 N 0.77 0.00 0.00 0.00 2.07 -1.32 -1.04 114.93 115.40 1j2q h MET 163 Ca 0.41 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.04 1j2q h MET 163 Cb 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.15 1j2q h MET 163 CO -0.27 0.02 0.00 0.87 1.07 0.00 0.00 176.91 178.60 1j2q h LYS 164 N 0.00 0.00 0.00 1.72 1.57 -0.71 -3.35 116.57 115.81 1j2q h LYS 164 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j2q h LYS 164 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1j2q h LYS 164 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1j2q n ARG 165 N -2.92 -0.50 -3.99 3.15 5.12 -0.70 -4.96 116.66 111.87 1j2q n ARG 165 Ca 0.03 -0.27 -0.31 0.00 -1.93 0.00 0.00 57.85 55.36 1j2q n ARG 165 Cb 0.41 -0.77 -0.15 0.00 -1.16 0.00 0.00 32.46 30.79 1j2q n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1j2q s ASP 166 N -0.01 4.56 0.14 0.55 3.68 -0.48 -4.96 116.67 120.15 1j2q s ASP 166 Ca 0.00 -1.90 0.13 0.00 2.13 0.00 0.00 52.55 52.91 1j2q s ASP 166 Cb 0.00 -1.49 0.62 0.00 -1.45 0.00 0.00 42.92 40.60 1j2q s ASP 166 CO 0.00 -0.34 1.39 -1.54 0.13 0.00 0.00 175.17 174.81 1j2q n SER 167 N 4.38 0.28 -0.07 -0.34 3.41 -1.26 -1.11 113.62 118.91 1j2q n SER 167 Ca -0.01 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1j2q n SER 167 Cb 0.42 -0.65 0.46 0.00 -0.26 0.00 0.00 64.21 64.18 1j2q n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j2q n ALA 168 N -1.63 2.97 -2.29 7.33 0.00 -1.26 -4.88 120.51 120.76 1j2q n ALA 168 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 1j2q n ALA 168 Cb 0.07 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1j2q n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1j2q s SER 169 N -2.77 4.86 0.00 0.00 0.01 -0.27 -0.78 113.70 114.74 1j2q s SER 169 Ca 0.19 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1j2q s SER 169 Cb 0.19 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1j2q s SER 169 CO 0.57 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1j2q n GLY 170 N -1.53 0.43 3.88 3.44 0.00 -1.26 -4.87 105.19 105.28 1j2q n GLY 170 Ca 0.02 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1j2q n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j2q n ASP 171 N 0.25 0.00 0.00 1.61 10.43 -1.26 -2.49 116.55 125.09 1j2q n ASP 171 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1j2q n ASP 171 Cb 0.00 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 42.86 1j2q n ASP 171 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j2q n GLY 172 N -1.91 -0.15 3.30 0.44 0.00 -1.26 -4.86 105.19 100.75 1j2q n GLY 172 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 1j2q n GLY 172 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j2q s ILE 173 N -1.80 -0.02 0.08 -0.61 2.07 -1.26 -2.59 121.20 117.08 1j2q s ILE 173 Ca 0.00 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.28 1j2q s ILE 173 Cb 0.00 -0.63 -0.05 0.00 0.13 0.00 0.00 42.46 41.91 1j2q s ILE 173 CO 0.00 0.03 0.28 -1.81 -1.91 0.00 0.00 174.94 171.53 1j2q s ASP 174 N 1.20 6.43 0.03 4.50 -0.00 -0.01 -4.92 116.67 123.90 1j2q s ASP 174 Ca -0.08 0.44 -0.01 0.00 -0.00 0.00 0.00 52.55 52.90 1j2q s ASP 174 Cb -0.07 -2.03 -0.02 0.00 -0.00 0.00 0.00 42.92 40.79 1j2q s ASP 174 CO -0.11 0.14 -0.02 -0.69 -0.00 0.00 0.00 175.17 174.50 1j2q s VAL 175 N -1.53 0.14 -0.06 -1.27 1.01 -1.26 -1.94 120.40 115.49 1j2q s VAL 175 Ca 0.36 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1j2q s VAL 175 Cb -0.13 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1j2q s VAL 175 CO 0.25 -0.64 0.14 -0.69 0.00 0.00 0.00 175.10 174.15 1j2q s VAL 176 N -2.21 -0.05 -0.10 2.92 1.01 0.61 -3.23 120.40 119.35 1j2q s VAL 176 Ca -0.09 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1j2q s VAL 176 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1j2q s VAL 176 CO -0.04 0.07 -0.02 -0.75 0.00 0.00 0.00 175.10 174.37 1j2q s LYS 177 N 1.08 3.12 -0.37 2.72 2.20 0.24 -1.81 119.74 126.92 1j2q s LYS 177 Ca -0.08 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 1j2q s LYS 177 Cb -0.11 -2.80 0.12 0.00 -1.51 0.00 0.00 37.83 33.53 1j2q s LYS 177 CO -0.05 0.59 0.15 0.42 -0.36 0.00 0.00 175.35 176.10 1j2q s ILE 178 N -0.57 1.24 -0.21 5.43 1.01 0.53 -0.47 121.20 128.16 1j2q s ILE 178 Ca 0.09 -1.99 -0.20 0.00 0.00 0.00 0.00 60.65 58.55 1j2q s ILE 178 Cb -0.12 -1.90 -0.17 0.00 0.01 0.00 0.00 42.46 40.28 1j2q s ILE 178 CO 0.02 -0.76 0.15 1.07 0.00 0.00 0.00 174.94 175.41 1j2q n THR 179 N 4.22 1.52 0.00 2.92 5.66 -0.68 -1.04 114.28 126.89 1j2q n THR 179 Ca 0.03 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1j2q n THR 179 Cb 0.39 -2.07 0.00 0.00 -1.55 0.00 0.00 70.33 67.10 1j2q n THR 179 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1j2q n GLU 180 N -4.44 0.00 0.00 1.09 2.13 -1.26 -4.61 120.64 113.55 1j2q n GLU 180 Ca -0.31 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.67 1j2q n GLU 180 Cb 0.65 0.00 0.87 0.00 0.27 0.00 0.00 31.44 33.23 1j2q n GLU 180 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1j2q n ASP 181 N 0.00 0.05 -3.64 4.31 9.92 -1.26 -4.89 116.55 121.04 1j2q n ASP 181 Ca 0.00 -0.73 -0.02 0.00 -0.53 0.00 0.00 54.79 53.52 1j2q n ASP 181 Cb 0.00 -0.09 -0.01 0.00 -0.64 0.00 0.00 41.12 40.38 1j2q n ASP 181 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1j2q s GLU 182 N -2.20 0.62 -0.34 -1.24 2.12 -1.26 -5.07 118.70 111.33 1j2q s GLU 182 Ca 0.41 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.41 1j2q s GLU 182 Cb 0.21 0.23 0.12 0.00 0.26 0.00 0.00 34.13 34.95 1j2q s GLU 182 CO 0.40 -0.28 0.17 0.12 -0.54 0.00 0.00 175.26 175.13 1j2q s PHE 183 N -2.71 1.11 -0.06 5.30 5.36 -1.26 -1.68 117.98 124.04 1j2q s PHE 183 Ca 0.12 -1.64 -0.03 0.00 -0.96 0.00 0.00 56.93 54.43 1j2q s PHE 183 Cb 0.02 -1.30 -0.04 0.00 -0.34 0.00 0.00 43.02 41.36 1j2q s PHE 183 CO -0.03 -0.83 0.07 -0.47 -1.46 0.00 0.00 175.22 172.50 1j2q s TYR 184 N 1.30 3.32 -0.23 10.12 6.04 0.37 -4.95 117.35 133.33 1j2q s TYR 184 Ca 0.14 0.28 0.02 0.00 0.04 0.00 0.00 57.07 57.55 1j2q s TYR 184 Cb -0.20 -1.81 0.05 0.00 -1.04 0.00 0.00 41.96 38.96 1j2q s TYR 184 CO -0.14 0.57 -0.10 -1.14 -1.54 0.00 0.00 175.55 173.19 1j2q s GLN 185 N -1.23 2.09 0.61 4.97 0.74 -1.26 -0.59 119.66 124.99 1j2q s GLN 185 Ca 0.17 -1.04 0.24 0.00 0.05 0.00 0.00 55.36 54.78 1j2q s GLN 185 Cb -0.12 -2.62 1.32 0.00 1.10 0.00 0.00 33.01 32.69 1j2q s GLN 185 CO 0.07 -0.49 1.73 1.88 -0.55 0.00 0.00 175.29 177.92 1j2q h TYR 186 N 7.90 0.00 -2.60 1.67 -1.99 -1.97 -3.49 116.97 116.49 1j2q h TYR 186 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1j2q h TYR 186 Cb 1.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.81 1j2q h TYR 186 CO 0.55 0.00 -0.63 0.43 -0.00 0.00 0.00 178.16 178.50 1j2q n SER 187 N -2.72 -6.38 -0.61 3.88 7.64 -1.26 -3.67 113.62 110.49 1j2q n SER 187 Ca -0.02 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1j2q n SER 187 Cb 0.44 -3.05 0.00 0.00 -1.01 0.00 0.00 64.21 60.59 1j2q n SER 187 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1j2q n PRO 188 N -0.80 0.00 0.00 1.43 -0.04 -1.26 -2.47 135.00 131.86 1j2q n PRO 188 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j2q n PRO 188 Cb 0.00 -0.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1j2q n PRO 188 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1j2q n GLU 188 N 0.09 0.00 -0.01 0.54 1.02 -1.24 -0.08 120.64 120.96 1j2q n GLU 188 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1j2q n GLU 188 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1j2q n GLU 188 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1j2q h VAL 189 N 0.00 1.35 -0.73 2.62 2.07 -1.67 -2.01 116.25 117.89 1j2q h VAL 189 Ca 0.00 -1.28 0.21 0.00 0.82 0.00 0.00 66.70 66.45 1j2q h VAL 189 Cb 0.00 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1j2q h VAL 189 CO 0.00 0.32 0.58 -0.08 0.02 0.00 0.00 177.57 178.41 1j2q h GLU 190 N -0.61 0.00 0.00 1.57 4.57 -0.76 0.72 114.58 120.07 1j2q h GLU 190 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1j2q h GLU 190 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1j2q h GLU 190 CO 0.01 0.00 -0.76 0.37 -1.18 0.00 0.00 179.01 177.44 1j2q h GLN 191 N 0.00 0.00 0.13 1.92 4.15 -1.75 -2.96 115.11 116.60 1j2q h GLN 191 Ca 0.35 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.46 1j2q h GLN 191 Cb 1.50 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.19 1j2q h GLN 191 CO -0.00 0.00 -1.52 0.82 -1.93 0.00 0.00 178.83 176.20 1j2q h ILE 192 N 0.00 1.17 -0.00 2.39 2.04 0.11 -3.25 117.51 119.97 1j2q h ILE 192 Ca 0.00 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.07 1j2q h ILE 192 Cb 0.96 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 1j2q h ILE 192 CO 0.00 0.83 -0.13 0.00 0.00 0.00 0.00 178.15 178.85 1j2q n LEU 193 N -3.48 0.54 0.20 1.44 -0.00 -0.26 -3.30 117.00 112.15 1j2q n LEU 193 Ca -0.16 -0.03 0.06 0.00 -0.00 0.00 0.00 56.01 55.88 1j2q n LEU 193 Cb 1.05 -0.17 0.43 0.00 -0.00 0.00 0.00 43.42 44.72 1j2q n LEU 193 CO 0.51 0.10 0.76 0.00 -0.00 0.00 0.00 177.39 178.76 1j2q h ALA 194 N 3.63 1.16 0.00 1.47 0.00 -1.33 -1.81 119.26 122.37 1j2q h ALA 194 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1j2q h ALA 194 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1j2q h ALA 194 CO 0.00 0.40 0.00 1.63 0.00 0.00 0.00 179.25 181.28 1j2q n LYS 195 N -3.70 0.97 0.00 0.00 5.02 -1.21 -4.26 118.16 114.99 1j2q n LYS 195 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1j2q n LYS 195 Cb 0.42 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1j2q n LYS 195 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1j2q n PHE 196 N -0.31 0.00 -0.74 2.13 0.99 -0.69 -5.07 117.46 113.77 1j2q n PHE 196 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1j2q n PHE 196 Cb 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.57 1j2q n PHE 196 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1j2q n ARG 197 N -1.14 0.00 0.00 -1.08 3.00 -1.18 -5.17 116.66 111.09 1j2q n ARG 197 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1j2q n ARG 197 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1j2q n ARG 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26