#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 -0.22 0.03 12.58 -1.32 -1.25 -0.26 115.64 125.20 1j2q s THR 2 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1j2q s THR 2 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1j2q s THR 2 CO 0.00 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 172.75 1j2q s THR 3 N 1.82 0.60 0.20 5.08 -4.23 0.48 -2.82 115.64 116.76 1j2q s THR 3 Ca -0.08 -0.86 0.07 0.00 -1.18 0.00 0.00 61.69 59.64 1j2q s THR 3 Cb -0.05 -0.61 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 1j2q s THR 3 CO -0.17 -0.20 -0.12 0.68 -0.54 0.00 0.00 174.62 174.26 1j2q s VAL 4 N -0.99 1.56 -0.18 2.29 -7.23 0.32 0.40 120.40 116.57 1j2q s VAL 4 Ca -0.05 -2.16 -0.11 0.00 -1.81 0.00 0.00 61.98 57.85 1j2q s VAL 4 Cb -0.08 -2.03 0.06 0.00 0.56 0.00 0.00 36.38 34.89 1j2q s VAL 4 CO 0.00 -0.61 0.45 -0.83 -0.31 0.00 0.00 175.10 173.80 1j2q s GLY 5 N -3.29 -0.36 -0.01 2.32 0.00 0.54 -1.58 107.32 104.94 1j2q s GLY 5 Ca 0.22 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.54 1j2q s GLY 5 CO 0.06 1.70 0.00 0.48 0.00 0.00 0.00 173.10 175.34 1j2q s LEU 6 N 1.31 1.60 -0.39 0.66 2.34 -0.43 -1.42 118.68 122.35 1j2q s LEU 6 Ca -0.09 -0.00 -0.18 0.00 0.06 0.00 0.00 54.13 53.92 1j2q s LEU 6 Cb -0.07 -0.08 0.01 0.00 -0.56 0.00 0.00 46.19 45.49 1j2q s LEU 6 CO -0.12 -0.05 0.51 0.68 -1.06 0.00 0.00 176.35 176.31 1j2q s VAL 7 N 0.46 5.01 0.71 1.48 -7.23 0.01 -1.87 120.40 118.97 1j2q s VAL 7 Ca -0.04 0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.15 1j2q s VAL 7 Cb -0.06 -4.04 0.12 0.00 0.56 0.00 0.00 36.38 32.97 1j2q s VAL 7 CO -0.01 -0.37 0.98 0.00 -0.31 0.00 0.00 175.10 175.39 1j2q h LYS 9 N -0.50 0.00 -0.48 0.00 2.10 -1.54 -3.26 116.57 112.90 1j2q h LYS 9 Ca -0.36 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.97 1j2q h LYS 9 Cb 1.27 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.39 1j2q h LYS 9 CO 0.41 0.56 -0.27 -0.40 -2.00 0.00 0.00 179.45 177.74 1j2q n ASP 10 N -3.73 3.61 0.00 7.07 5.75 -1.26 -5.08 116.55 122.91 1j2q n ASP 10 Ca -0.01 -3.80 0.00 0.00 -0.01 0.00 0.00 54.79 50.97 1j2q n ASP 10 Cb 0.59 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 -0.98 0.95 3.00 6.12 0.00 -1.23 -4.66 105.19 108.40 1j2q n GLY 11 Ca 0.37 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.02 0.56 -0.01 1.61 1.01 -0.20 -0.78 120.40 119.57 1j2q s VAL 12 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1j2q s VAL 12 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1j2q s VAL 12 CO 0.00 0.06 -0.18 -0.69 0.00 0.00 0.00 175.10 174.29 1j2q s VAL 13 N -0.38 1.45 -0.07 2.92 1.01 -0.78 -0.13 120.40 124.41 1j2q s VAL 13 Ca 0.01 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 1j2q s VAL 13 Cb -0.04 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1j2q s VAL 13 CO -0.00 0.38 0.20 -0.04 0.00 0.00 0.00 175.10 175.63 1j2q s MET 14 N -0.52 0.22 0.12 2.72 -1.94 -0.70 -1.31 119.30 117.89 1j2q s MET 14 Ca 0.07 0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 54.21 1j2q s MET 14 Cb -0.07 0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.87 1j2q s MET 14 CO -0.00 -0.04 0.30 0.00 -0.01 0.00 0.00 175.02 175.27 1j2q s ALA 15 N 0.18 -0.49 0.24 3.03 0.00 -0.61 -0.53 121.76 123.57 1j2q s ALA 15 Ca -0.01 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1j2q s ALA 15 Cb -0.02 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.74 1j2q s ALA 15 CO -0.00 -0.59 0.53 0.95 0.00 0.00 0.00 175.76 176.64 1j2q s THR 16 N -3.85 0.01 0.35 0.00 -4.23 -0.77 -0.52 115.64 106.62 1j2q s THR 16 Ca 0.06 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 1j2q s THR 16 Cb 0.03 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.95 1j2q s THR 16 CO -0.10 -0.05 0.44 -1.84 -0.54 0.00 0.00 174.62 172.53 1j2q n GLU 17 N -0.38 0.81 -0.37 3.99 -0.00 -1.13 -0.58 120.64 122.98 1j2q n GLU 17 Ca -0.05 -1.94 0.08 0.00 -0.00 0.00 0.00 57.16 55.26 1j2q n GLU 17 Cb 0.61 -0.07 0.22 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 -1.67 2.41 -3.54 3.44 4.76 -0.97 -4.74 118.16 117.85 1j2q n LYS 18 Ca 0.08 -2.81 -0.36 0.00 -2.87 0.00 0.00 58.31 52.35 1j2q n LYS 18 Cb 0.37 -1.75 -0.06 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.88 3.83 -0.08 1.97 3.52 -1.06 -1.19 118.95 123.06 1j2q s ARG 19 Ca 0.40 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 1j2q s ARG 19 Cb 0.33 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 30.65 1j2q s ARG 19 CO 0.07 0.62 -0.06 0.00 -0.81 0.00 0.00 175.30 175.11 1j2q s ALA 20 N -1.26 1.00 0.21 6.12 0.00 -0.23 -4.51 121.76 123.10 1j2q s ALA 20 Ca 0.29 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.02 1j2q s ALA 20 Cb -0.15 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1j2q s ALA 20 CO 0.16 -0.21 -0.12 0.95 0.00 0.00 0.00 175.76 176.53 1j2q s THR 21 N 1.35 1.63 -0.37 0.00 -4.23 -1.26 -0.40 115.64 112.35 1j2q s THR 21 Ca -0.03 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 58.32 1j2q s THR 21 Cb -0.14 -2.10 0.15 0.00 1.34 0.00 0.00 72.50 71.76 1j2q s THR 21 CO -0.03 -0.56 0.28 -0.32 -0.54 0.00 0.00 174.62 173.45 1j2q s MET 22 N -3.68 0.64 6.00 3.99 1.75 -0.67 -4.88 119.30 122.44 1j2q s MET 22 Ca 0.23 -1.37 0.00 0.00 -1.25 0.00 0.00 55.69 53.30 1j2q s MET 22 Cb 0.01 -1.18 0.00 0.00 2.84 0.00 0.00 34.83 36.50 1j2q s MET 22 CO 0.07 -1.24 0.00 0.41 -0.65 0.00 0.00 175.02 173.61 1j2q n GLY 23 N 3.84 1.33 0.23 2.11 0.00 -1.26 -2.68 105.19 108.76 1j2q n GLY 23 Ca 0.15 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 6.84 1.46 -4.67 1.61 5.03 -1.26 -4.91 115.26 119.35 1j2q n ASN 24 Ca 0.00 -1.23 -0.42 0.00 0.87 0.00 0.00 54.58 53.80 1j2q n ASN 24 Cb 0.00 0.75 -0.03 0.00 -1.02 0.00 0.00 39.78 39.48 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 -2.66 2.43 -0.59 3.10 5.36 -1.09 -4.94 117.98 119.59 1j2q s PHE 25 Ca 0.13 0.55 -0.24 0.00 -0.96 0.00 0.00 56.93 56.41 1j2q s PHE 25 Cb 0.16 -3.76 0.05 0.00 -0.34 0.00 0.00 43.02 39.13 1j2q s PHE 25 CO 0.70 -3.00 0.95 0.42 -1.46 0.00 0.00 175.22 172.82 1j2q s ILE 26 N 3.40 4.36 -0.11 3.12 1.01 -1.26 -1.68 121.20 130.03 1j2q s ILE 26 Ca 0.67 0.09 0.14 0.00 0.00 0.00 0.00 60.65 61.55 1j2q s ILE 26 Cb -0.31 -4.58 -0.01 0.00 0.01 0.00 0.00 42.46 37.57 1j2q s ILE 26 CO 0.26 -1.22 1.31 0.00 0.00 0.00 0.00 174.94 175.28 1j2q h ALA 27 N 9.40 0.63 -2.30 9.38 0.00 -1.07 -3.47 119.26 131.83 1j2q h ALA 27 Ca -0.27 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 53.99 1j2q h ALA 27 Cb 1.07 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.61 1j2q h ALA 27 CO 1.12 0.77 -0.05 0.45 0.00 0.00 0.00 179.25 181.53 1j2q s SER 28 N -6.37 -0.66 0.00 0.00 0.15 -0.73 -4.96 113.70 101.13 1j2q s SER 28 Ca 0.02 1.21 0.22 0.00 0.70 0.00 0.00 55.95 58.10 1j2q s SER 28 Cb 0.08 1.18 -0.01 0.00 -1.71 0.00 0.00 66.02 65.57 1j2q s SER 28 CO 0.77 -0.21 1.06 0.29 1.20 0.00 0.00 173.24 176.35 1j2q n LYS 29 N 3.21 1.28 -2.30 5.44 4.76 -1.26 -1.07 118.16 128.22 1j2q n LYS 29 Ca -0.16 -0.99 -0.00 0.00 -2.87 0.00 0.00 58.31 54.29 1j2q n LYS 29 Cb 0.56 -1.45 0.04 0.00 -1.84 0.00 0.00 35.03 32.34 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 -0.02 2.71 -1.77 7.82 0.00 -0.96 -4.59 120.51 123.71 1j2q n ALA 30 Ca 0.09 -2.72 -0.40 0.00 0.00 0.00 0.00 53.44 50.42 1j2q n ALA 30 Cb 0.46 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.61 3.32 -0.12 0.00 0.00 -0.33 -4.97 121.76 117.03 1j2q s ALA 31 Ca 0.31 1.35 -0.22 0.00 0.00 0.00 0.00 51.96 53.40 1j2q s ALA 31 Cb 0.35 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1j2q s ALA 31 CO -0.08 -0.94 0.66 0.21 0.00 0.00 0.00 175.76 175.61 1j2q s LYS 32 N -2.24 4.34 -0.00 0.00 2.20 -1.26 -4.57 119.74 118.21 1j2q s LYS 32 Ca 0.57 0.75 0.01 0.00 -0.36 0.00 0.00 55.97 56.93 1j2q s LYS 32 Cb -0.41 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1j2q s LYS 32 CO 0.53 -0.05 0.74 1.63 -0.36 0.00 0.00 175.35 177.84 1j2q n LYS 33 N 4.27 1.20 -3.99 4.03 5.02 -1.26 -4.97 118.16 122.45 1j2q n LYS 33 Ca -0.02 -0.97 -0.27 0.00 -2.02 0.00 0.00 58.31 55.03 1j2q n LYS 33 Cb 0.51 -0.72 -0.17 0.00 -0.02 0.00 0.00 35.03 34.62 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 -0.48 1.07 0.09 -0.18 -1.16 -1.26 -1.15 121.20 118.12 1j2q s ILE 34 Ca 0.01 -0.33 0.09 0.00 -0.51 0.00 0.00 60.65 59.92 1j2q s ILE 34 Cb 0.01 -1.06 -0.04 0.00 0.61 0.00 0.00 42.46 41.98 1j2q s ILE 34 CO 0.00 0.37 -0.24 -0.31 -2.81 0.00 0.00 174.94 171.95 1j2q s TYR 35 N 1.57 2.39 -0.23 3.50 2.02 0.21 -4.95 117.35 121.86 1j2q s TYR 35 Ca 0.03 -0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 56.24 1j2q s TYR 35 Cb -0.13 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1j2q s TYR 35 CO -0.07 0.27 0.30 -1.14 -1.57 0.00 0.00 175.55 173.34 1j2q s GLN 36 N -1.72 4.10 -0.24 -0.62 0.74 -1.26 0.10 119.66 120.77 1j2q s GLN 36 Ca 0.14 -0.02 -0.18 0.00 0.05 0.00 0.00 55.36 55.35 1j2q s GLN 36 Cb -0.10 -3.56 -0.16 0.00 1.10 0.00 0.00 33.01 30.28 1j2q s GLN 36 CO 0.05 -0.05 -0.02 -0.89 -0.55 0.00 0.00 175.29 173.83 1j2q n ILE 37 N 4.48 1.54 -4.05 -2.34 2.08 0.24 -4.94 119.36 116.37 1j2q n ILE 37 Ca -0.11 -0.18 -0.03 0.00 0.56 0.00 0.00 62.75 62.99 1j2q n ILE 37 Cb 0.51 -1.97 -0.01 0.00 -0.75 0.00 0.00 39.64 37.43 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 -3.75 0.07 -0.14 -1.39 0.00 -1.10 -4.73 120.51 109.47 1j2q n ALA 38 Ca -0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 1j2q n ALA 38 Cb 0.77 0.16 0.19 0.00 0.00 0.00 0.00 19.45 20.57 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 0.19 0.80 -0.60 0.00 3.32 -1.97 -3.19 116.42 114.96 1j2q h ASP 39 Ca -0.03 -0.13 -0.43 0.00 0.02 0.00 0.00 57.03 56.46 1j2q h ASP 39 Cb 0.13 -0.21 -0.39 0.00 0.22 0.00 0.00 39.33 39.09 1j2q h ASP 39 CO 0.05 0.75 -0.86 0.54 -1.72 0.00 0.00 179.24 178.01 1j2q n ARG 40 N -4.29 2.99 -3.74 3.56 5.12 -1.26 -4.63 116.66 114.41 1j2q n ARG 40 Ca 0.04 -3.91 -0.15 0.00 -1.93 0.00 0.00 57.85 51.90 1j2q n ARG 40 Cb 0.20 -2.04 -0.15 0.00 -1.16 0.00 0.00 32.46 29.32 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 -3.52 0.04 0.38 5.56 1.75 -1.21 -0.29 119.30 122.02 1j2q s MET 41 Ca 0.45 0.35 0.04 0.00 -1.25 0.00 0.00 55.69 55.28 1j2q s MET 41 Cb 0.39 -0.22 -0.06 0.00 2.84 0.00 0.00 34.83 37.78 1j2q s MET 41 CO 0.01 -0.19 0.05 0.00 -0.65 0.00 0.00 175.02 174.23 1j2q s ALA 42 N 1.32 2.85 -0.12 4.11 0.00 0.11 -0.59 121.76 129.44 1j2q s ALA 42 Ca -0.07 -1.87 -0.08 0.00 0.00 0.00 0.00 51.96 49.93 1j2q s ALA 42 Cb -0.12 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.50 1j2q s ALA 42 CO -0.05 -0.23 0.30 1.41 0.00 0.00 0.00 175.76 177.20 1j2q s MET 43 N -3.82 0.30 0.01 0.00 1.75 0.12 -1.56 119.30 116.10 1j2q s MET 43 Ca 0.32 0.54 0.03 0.00 -1.25 0.00 0.00 55.69 55.32 1j2q s MET 43 Cb 0.08 0.02 -0.03 0.00 2.84 0.00 0.00 34.83 37.73 1j2q s MET 43 CO 0.15 -0.11 -0.04 0.95 -0.65 0.00 0.00 175.02 175.32 1j2q s THR 44 N 0.84 3.86 -0.12 10.11 -4.23 -0.17 0.63 115.64 126.57 1j2q s THR 44 Ca -0.06 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1j2q s THR 44 Cb -0.07 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.08 1j2q s THR 44 CO -0.06 0.37 -0.20 0.42 -0.54 0.00 0.00 174.62 174.61 1j2q s THR 45 N -1.05 1.85 0.05 3.99 -4.23 -0.30 -1.98 115.64 113.97 1j2q s THR 45 Ca 0.18 -0.87 0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1j2q s THR 45 Cb -0.11 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 1j2q s THR 45 CO 0.09 0.51 -0.21 0.00 -0.54 0.00 0.00 174.62 174.47 1j2q s ALA 46 N 0.77 1.79 0.00 3.99 0.00 -0.72 -4.86 121.76 122.73 1j2q s ALA 46 Ca -0.09 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1j2q s ALA 46 Cb -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1j2q s ALA 46 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1j2q n GLY 47 N 1.80 0.26 3.69 0.00 0.00 -1.26 0.53 105.19 110.21 1j2q n GLY 47 Ca -0.17 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 6.80 0.09 1.61 0.15 0.14 -4.92 113.70 113.57 1j2q s SER 48 Ca 0.00 2.16 -0.35 0.00 0.70 0.00 0.00 55.95 58.45 1j2q s SER 48 Cb 0.00 -2.56 -0.17 0.00 -1.71 0.00 0.00 66.02 61.59 1j2q s SER 48 CO 0.00 -0.76 1.57 0.58 1.20 0.00 0.00 173.24 175.83 1j2q h VAL 49 N 4.97 0.04 -0.53 4.45 2.07 -1.95 0.29 116.25 125.59 1j2q h VAL 49 Ca -0.38 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.24 1j2q h VAL 49 Cb 1.18 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1j2q h VAL 49 CO 0.91 0.00 0.00 1.23 0.02 0.00 0.00 177.57 179.74 1j2q h GLY 50 N -0.98 0.55 0.90 2.17 0.00 -1.98 0.12 103.07 103.85 1j2q h GLY 50 Ca -0.06 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j2q h GLY 50 CO -0.07 -0.15 0.06 -0.55 0.00 0.00 0.00 176.54 175.83 1j2q h ASP 51 N 0.12 0.16 -0.21 0.19 3.45 -1.85 -1.62 116.42 116.66 1j2q h ASP 51 Ca 0.27 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1j2q h ASP 51 Cb 0.41 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 1j2q h ASP 51 CO -0.44 0.24 0.14 0.00 -1.57 0.00 0.00 179.24 177.61 1j2q h ALA 52 N 0.92 0.27 -0.68 3.45 0.00 0.07 -0.72 119.26 122.58 1j2q h ALA 52 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1j2q h ALA 52 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1j2q h ALA 52 CO -0.01 -0.25 0.43 1.96 0.00 0.00 0.00 179.25 181.38 1j2q h GLN 53 N 0.28 0.83 0.34 0.00 4.20 -0.72 0.12 115.11 120.17 1j2q h GLN 53 Ca 0.08 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1j2q h GLN 53 Cb -0.03 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1j2q h GLN 53 CO -0.02 0.55 -0.18 0.35 -0.67 0.00 0.00 178.83 178.87 1j2q h PHE 54 N 0.86 -0.46 -0.96 2.96 3.57 -1.00 -2.44 116.94 119.47 1j2q h PHE 54 Ca 0.26 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1j2q h PHE 54 Cb -0.03 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1j2q h PHE 54 CO -0.04 -0.28 0.61 -0.07 -2.23 0.00 0.00 178.31 176.30 1j2q h LEU 55 N -0.48 1.13 -0.25 0.59 4.07 -0.79 -2.54 115.31 117.05 1j2q h LEU 55 Ca -0.04 -0.05 0.04 0.00 0.08 0.00 0.00 57.88 57.91 1j2q h LEU 55 Cb 0.37 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 1j2q h LEU 55 CO 0.07 0.84 -0.00 0.00 -1.08 0.00 0.00 178.44 178.27 1j2q h ALA 56 N 1.36 0.22 -0.21 1.53 0.00 -0.55 0.64 119.26 122.25 1j2q h ALA 56 Ca 0.35 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1j2q h ALA 56 Cb -0.11 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1j2q h ALA 56 CO -0.07 -0.42 -0.16 0.00 0.00 0.00 0.00 179.25 178.60 1j2q h ARG 57 N 0.08 -0.16 -0.26 0.00 3.08 -1.03 0.01 114.38 116.11 1j2q h ARG 57 Ca 0.12 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.23 1j2q h ARG 57 Cb 0.15 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1j2q h ARG 57 CO -0.20 -0.10 -0.05 0.82 -1.07 0.00 0.00 179.97 179.37 1j2q h ILE 58 N -0.16 0.76 -0.03 2.04 1.08 -1.18 -1.58 117.51 118.45 1j2q h ILE 58 Ca 0.12 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.61 1j2q h ILE 58 Cb 0.34 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 1j2q h ILE 58 CO -0.30 0.00 -0.15 0.40 -0.69 0.00 0.00 178.15 177.41 1j2q h ILE 59 N 0.02 0.62 0.44 -0.67 1.08 -0.17 -1.35 117.51 117.48 1j2q h ILE 59 Ca 0.12 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 1j2q h ILE 59 Cb 0.18 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 1j2q h ILE 59 CO -0.25 0.00 -0.51 0.11 -0.69 0.00 0.00 178.15 176.81 1j2q h LYS 60 N -0.24 -0.93 -0.70 2.37 1.57 -0.69 -0.64 116.57 117.31 1j2q h LYS 60 Ca 0.06 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.06 1j2q h LYS 60 Cb 0.32 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.72 1j2q h LYS 60 CO -0.17 -0.62 -0.00 0.82 -0.57 0.00 0.00 179.45 178.91 1j2q h ILE 61 N -0.97 0.40 -0.15 1.86 5.03 -1.21 0.82 117.51 123.29 1j2q h ILE 61 Ca -0.05 -0.04 -0.10 0.00 -0.12 0.00 0.00 64.86 64.55 1j2q h ILE 61 Cb 0.86 0.28 -0.01 0.00 -3.03 0.00 0.00 36.82 34.92 1j2q h ILE 61 CO -0.10 0.02 -0.33 -0.33 -0.68 0.00 0.00 178.15 176.73 1j2q h GLU 62 N 0.11 0.31 -0.05 2.37 5.08 -1.00 -0.94 114.58 120.46 1j2q h GLU 62 Ca 0.37 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1j2q h GLU 62 Cb 0.64 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1j2q h GLU 62 CO -0.61 0.61 -0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1j2q h ALA 63 N 1.39 0.07 0.21 3.43 0.00 0.55 -1.73 119.26 123.17 1j2q h ALA 63 Ca 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j2q h ALA 63 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1j2q h ALA 63 CO 0.05 -0.26 -0.28 -0.91 0.00 0.00 0.00 179.25 177.86 1j2q h ASN 64 N -0.21 -0.80 -1.04 0.00 2.35 -0.66 -1.85 115.58 113.38 1j2q h ASN 64 Ca 0.01 0.07 0.28 0.00 -0.55 0.00 0.00 56.30 56.12 1j2q h ASN 64 Cb 0.34 0.27 -0.12 0.00 0.05 0.00 0.00 38.32 38.86 1j2q h ASN 64 CO 0.00 -0.35 0.64 0.25 -1.65 0.00 0.00 177.43 176.33 1j2q h LEU 65 N -0.51 0.53 0.23 1.61 5.85 -1.24 0.66 115.31 122.45 1j2q h LEU 65 Ca -0.02 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1j2q h LEU 65 Cb 0.46 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1j2q h LEU 65 CO -0.07 0.03 -0.25 0.22 -0.34 0.00 0.00 178.44 178.03 1j2q h TYR 66 N 0.43 -0.67 0.18 1.25 3.20 -0.51 0.02 116.97 120.88 1j2q h TYR 66 Ca 0.66 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.52 1j2q h TYR 66 Cb 1.51 0.26 0.00 0.00 1.54 0.00 0.00 36.73 40.05 1j2q h TYR 66 CO -0.01 -0.37 -0.09 1.49 -1.64 0.00 0.00 178.16 177.55 1j2q h GLU 67 N -0.52 -0.24 -1.00 1.82 4.81 -0.40 0.03 114.58 119.07 1j2q h GLU 67 Ca -0.00 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.40 1j2q h GLU 67 Cb 0.49 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 1j2q h GLU 67 CO -0.07 -0.03 0.62 0.82 -0.73 0.00 0.00 179.01 179.62 1j2q h ILE 68 N -0.40 0.82 0.16 2.32 5.03 -0.91 1.05 117.51 125.57 1j2q h ILE 68 Ca -0.03 -0.31 -0.29 0.00 -0.12 0.00 0.00 64.86 64.12 1j2q h ILE 68 Cb 0.31 -0.15 0.03 0.00 -3.03 0.00 0.00 36.82 33.99 1j2q h ILE 68 CO 0.04 0.16 -1.23 0.03 -0.68 0.00 0.00 178.15 176.47 1j2q h ARG 69 N 0.89 0.56 -0.04 2.37 3.08 -0.84 -3.35 114.38 117.06 1j2q h ARG 69 Ca 0.53 -0.81 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1j2q h ARG 69 Cb 0.67 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1j2q h ARG 69 CO -0.32 1.37 0.00 0.54 -1.07 0.00 0.00 179.97 180.49 1j2q n ARG 70 N -3.83 2.28 -2.08 0.04 1.74 -0.02 -4.96 116.66 109.83 1j2q n ARG 70 Ca -0.15 -1.91 -0.13 0.00 -0.77 0.00 0.00 57.85 54.89 1j2q n ARG 70 Cb 0.99 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.95 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 1.33 -1.86 -4.17 5.56 1.02 0.36 -4.93 120.64 117.94 1j2q n GLU 71 Ca 0.14 0.70 -0.16 0.00 -0.02 0.00 0.00 57.16 57.82 1j2q n GLU 71 Cb 0.59 -5.18 -0.13 0.00 -0.02 0.00 0.00 31.44 26.70 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 -4.38 0.61 0.31 3.49 0.52 -1.23 -5.05 118.95 113.22 1j2q s ARG 72 Ca 0.00 -0.60 -0.25 0.00 -0.52 0.00 0.00 55.73 54.37 1j2q s ARG 72 Cb 0.00 -0.51 -0.10 0.00 0.52 0.00 0.00 34.95 34.87 1j2q s ARG 72 CO 0.00 0.12 0.90 0.15 0.02 0.00 0.00 175.30 176.49 1j2q s LYS 73 N -1.04 4.50 0.30 3.54 1.02 -1.26 -3.65 119.74 123.14 1j2q s LYS 73 Ca -0.03 1.23 -0.28 0.00 0.02 0.00 0.00 55.97 56.90 1j2q s LYS 73 Cb -0.07 -2.79 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 1j2q s LYS 73 CO 0.00 0.29 1.06 -1.25 -0.92 0.00 0.00 175.35 174.53 1j2q s PRO 74 N -2.09 4.59 0.52 -1.68 0.04 -1.26 -4.99 135.00 130.13 1j2q s PRO 74 Ca 0.49 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 63.05 1j2q s PRO 74 Cb -0.18 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.22 1j2q s PRO 74 CO 0.23 0.20 1.02 -0.08 0.04 0.00 0.00 177.00 178.40 1j2q s THR 75 N -1.27 4.13 0.31 1.26 -1.32 -1.26 -4.88 115.64 112.61 1j2q s THR 75 Ca 0.46 1.11 0.03 0.00 -1.21 0.00 0.00 61.69 62.09 1j2q s THR 75 Cb -0.29 -3.54 0.29 0.00 -1.51 0.00 0.00 72.50 67.46 1j2q s THR 75 CO 0.37 -0.49 1.87 -0.37 -2.21 0.00 0.00 174.62 173.78 1j2q h VAL 76 N 1.01 0.94 -0.78 5.08 -1.51 -1.95 0.87 116.25 119.91 1j2q h VAL 76 Ca -0.48 -0.32 0.07 0.00 -1.23 0.00 0.00 66.70 64.75 1j2q h VAL 76 Cb 1.20 -0.07 -0.06 0.00 -2.13 0.00 0.00 31.29 30.23 1j2q h VAL 76 CO 0.60 0.17 0.45 -0.09 -1.23 0.00 0.00 177.57 177.47 1j2q h ARG 77 N 0.93 0.78 -0.33 5.19 2.43 -1.96 0.28 114.38 121.69 1j2q h ARG 77 Ca 0.45 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.55 1j2q h ARG 77 Cb 0.47 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1j2q h ARG 77 CO -0.22 0.51 0.10 0.00 -1.51 0.00 0.00 179.97 178.85 1j2q h ALA 78 N 1.40 0.43 -0.45 2.80 0.00 -1.22 -0.06 119.26 122.17 1j2q h ALA 78 Ca 0.36 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1j2q h ALA 78 Cb 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1j2q h ALA 78 CO -0.21 0.08 -0.11 0.82 0.00 0.00 0.00 179.25 179.83 1j2q h ILE 79 N 0.37 1.26 -0.25 0.00 1.08 -0.73 -1.06 117.51 118.18 1j2q h ILE 79 Ca 0.10 -1.18 -0.11 0.00 -0.39 0.00 0.00 64.86 63.28 1j2q h ILE 79 Cb 0.26 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1j2q h ILE 79 CO -0.00 0.41 -0.31 0.00 -0.69 0.00 0.00 178.15 177.55 1j2q h ALA 80 N 1.14 0.99 -0.15 1.87 0.00 -0.27 -0.59 119.26 122.26 1j2q h ALA 80 Ca 0.12 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1j2q h ALA 80 Cb 0.60 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1j2q h ALA 80 CO 0.04 0.60 -0.55 1.15 0.00 0.00 0.00 179.25 180.49 1j2q h THR 81 N 0.45 1.33 0.01 0.00 2.02 -0.87 -0.90 112.91 114.95 1j2q h THR 81 Ca 0.06 -1.81 0.02 0.00 0.77 0.00 0.00 66.41 65.45 1j2q h THR 81 Cb 0.77 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 1j2q h THR 81 CO 0.06 0.56 -0.16 0.25 0.37 0.00 0.00 175.52 176.60 1j2q h LEU 82 N 0.29 -0.46 -1.04 2.58 5.85 -1.02 -1.39 115.31 120.12 1j2q h LEU 82 Ca -0.03 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1j2q h LEU 82 Cb 1.18 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1j2q h LEU 82 CO 0.11 -0.22 -0.10 0.74 -0.34 0.00 0.00 178.44 178.63 1j2q h THR 83 N -0.27 1.23 0.67 1.05 2.02 -1.09 -2.13 112.91 114.40 1j2q h THR 83 Ca 0.05 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1j2q h THR 83 Cb 0.33 1.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1j2q h THR 83 CO -0.15 0.34 -0.32 0.28 0.37 0.00 0.00 175.52 176.04 1j2q h SER 84 N 0.52 -0.76 -0.70 4.18 0.02 -0.74 -0.80 113.55 115.27 1j2q h SER 84 Ca 0.10 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.19 1j2q h SER 84 Cb 0.49 0.20 -0.10 0.00 0.14 0.00 0.00 62.40 63.13 1j2q h SER 84 CO 0.03 -0.50 0.21 0.78 -1.14 0.00 0.00 176.83 176.21 1j2q h ASN 85 N -0.97 0.11 0.18 3.07 -0.26 -1.08 0.18 115.58 116.81 1j2q h ASN 85 Ca -0.09 0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1j2q h ASN 85 Cb 0.71 0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 1j2q h ASN 85 CO 0.15 0.03 -0.09 0.25 -1.06 0.00 0.00 177.43 176.71 1j2q h LEU 86 N 0.33 -0.21 -0.26 1.61 5.85 -1.30 -1.08 115.31 120.25 1j2q h LEU 86 Ca 0.38 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.11 1j2q h LEU 86 Cb 0.61 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1j2q h LEU 86 CO -0.44 -0.10 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.48 1j2q h LEU 87 N -0.30 -0.13 -1.29 2.25 -0.00 0.07 -2.55 115.31 113.35 1j2q h LEU 87 Ca -0.03 0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 57.85 1j2q h LEU 87 Cb 0.23 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 1j2q h LEU 87 CO 0.04 -0.03 -0.20 -1.13 -0.00 0.00 0.00 178.44 177.12 1j2q h ASN 88 N 0.06 0.22 -0.08 -0.43 -0.73 -0.58 -2.21 115.58 111.83 1j2q h ASN 88 Ca 0.12 -0.06 0.02 0.00 1.87 0.00 0.00 56.30 58.26 1j2q h ASN 88 Cb 0.17 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 38.70 1j2q h ASN 88 CO -0.22 0.44 0.06 0.77 -0.37 0.00 0.00 177.43 178.11 1j2q h SER 89 N 0.21 0.00 -0.72 1.15 4.64 -0.76 0.12 113.55 118.19 1j2q h SER 89 Ca 0.04 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 1j2q h SER 89 Cb 0.48 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.44 1j2q h SER 89 CO 0.03 0.00 0.28 -1.22 -0.87 0.00 0.00 176.83 175.05 1j2q n TYR 90 N -4.44 2.40 0.32 4.77 4.01 -0.83 -4.67 117.16 118.72 1j2q n TYR 90 Ca -0.01 -1.17 0.17 0.00 -0.16 0.00 0.00 57.90 56.73 1j2q n TYR 90 Cb 0.17 -0.68 0.90 0.00 -0.31 0.00 0.00 39.34 39.42 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 2.54 0.00 -0.18 -0.72 0.11 -0.73 0.12 114.38 115.51 1j2q h ARG 91 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1j2q h ARG 91 Cb 2.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.38 1j2q h ARG 91 CO 0.73 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.46 1j2q n TYR 92 N -3.01 0.22 -2.70 4.08 4.01 -1.26 -4.15 117.16 114.34 1j2q n TYR 92 Ca -0.02 -0.11 -0.07 0.00 -0.16 0.00 0.00 57.90 57.55 1j2q n TYR 92 Cb 0.33 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.80 -2.10 -1.22 -0.72 3.01 -0.62 -5.16 117.46 111.46 1j2q n PHE 93 Ca 0.17 -1.69 -0.35 0.00 1.01 0.00 0.00 57.45 56.59 1j2q n PHE 93 Cb 0.46 1.51 0.09 0.00 -0.01 0.00 0.00 39.48 41.53 1j2q n PHE 93 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1j2q n PRO 94 N 0.04 0.30 -2.66 -1.08 -0.04 0.31 -4.95 135.00 126.92 1j2q n PRO 94 Ca -0.02 0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 1j2q n PRO 94 Cb 0.74 -2.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 1j2q n PRO 94 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j2q s TYR 95 N -1.97 2.95 -0.96 0.54 1.51 -1.26 -4.93 117.35 113.24 1j2q s TYR 95 Ca 0.70 0.81 -0.25 0.00 -1.01 0.00 0.00 57.07 57.32 1j2q s TYR 95 Cb -0.32 -4.09 -0.09 0.00 -0.11 0.00 0.00 41.96 37.35 1j2q s TYR 95 CO 0.54 -1.06 2.04 -0.51 -1.11 0.00 0.00 175.55 175.45 1j2q s LEU 96 N 4.04 3.02 -0.10 -1.29 1.02 -1.26 -4.46 118.68 119.66 1j2q s LEU 96 Ca 0.45 -0.78 -0.21 0.00 0.02 0.00 0.00 54.13 53.62 1j2q s LEU 96 Cb -0.09 -2.57 0.05 0.00 0.02 0.00 0.00 46.19 43.60 1j2q s LEU 96 CO 0.25 -3.19 0.50 0.54 0.02 0.00 0.00 176.35 174.47 1j2q s VAL 97 N 11.72 0.02 -0.22 -1.59 0.11 -1.26 0.28 120.40 129.46 1j2q s VAL 97 Ca 0.75 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.66 1j2q s VAL 97 Cb -0.06 -0.77 0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1j2q s VAL 97 CO 0.05 -0.08 -0.16 -1.10 -3.33 0.00 0.00 175.10 170.48 1j2q s GLN 98 N -0.66 2.69 0.09 1.54 -1.52 0.19 -2.68 119.66 119.31 1j2q s GLN 98 Ca -0.08 -1.04 0.05 0.00 -1.95 0.00 0.00 55.36 52.34 1j2q s GLN 98 Cb -0.03 -2.72 -0.04 0.00 -0.22 0.00 0.00 33.01 30.00 1j2q s GLN 98 CO 0.05 -0.36 -0.01 -0.51 -0.25 0.00 0.00 175.29 174.20 1j2q s LEU 99 N 1.22 3.42 -0.20 2.90 1.43 0.17 -1.76 118.68 125.85 1j2q s LEU 99 Ca -0.01 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1j2q s LEU 99 Cb -0.16 -2.15 0.05 0.00 0.03 0.00 0.00 46.19 43.95 1j2q s LEU 99 CO -0.09 0.18 -0.08 -0.22 0.23 0.00 0.00 176.35 176.37 1j2q s LEU 100 N -2.29 2.23 -0.17 1.79 2.96 -0.84 0.14 118.68 122.51 1j2q s LEU 100 Ca 0.25 -0.93 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 1j2q s LEU 100 Cb -0.12 -1.15 0.03 0.00 0.50 0.00 0.00 46.19 45.45 1j2q s LEU 100 CO 0.18 -0.18 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.26 1j2q s ILE 101 N 1.44 1.63 0.28 6.68 1.01 0.16 -1.00 121.20 131.41 1j2q s ILE 101 Ca -0.02 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.65 1j2q s ILE 101 Cb -0.17 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 40.77 1j2q s ILE 101 CO -0.07 0.37 0.81 -0.83 0.00 0.00 0.00 174.94 175.22 1j2q s GLY 102 N 1.44 0.04 0.00 6.18 0.00 -0.60 -0.61 107.32 113.78 1j2q s GLY 102 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1j2q s GLY 102 CO -0.10 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.68 1j2q n GLY 103 N -0.50 -0.51 3.22 0.20 0.00 -0.68 0.04 105.19 106.95 1j2q n GLY 103 Ca -0.06 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.93 1.89 0.31 -0.61 1.01 0.60 -2.23 121.20 118.25 1j2q s ILE 104 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 1j2q s ILE 104 Cb 0.00 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 1j2q s ILE 104 CO 0.00 0.53 0.44 1.51 0.00 0.00 0.00 174.94 177.42 1j2q s ASP 105 N 0.06 0.63 0.52 3.58 3.84 0.88 -4.69 116.67 121.49 1j2q s ASP 105 Ca -0.09 -1.36 0.41 0.00 -0.00 0.00 0.00 52.55 51.51 1j2q s ASP 105 Cb -0.15 0.62 1.59 0.00 -1.38 0.00 0.00 42.92 43.61 1j2q s ASP 105 CO 0.05 -1.22 1.67 0.77 -0.00 0.00 0.00 175.17 176.43 1j2q h SER 106 N 2.19 0.07 1.32 2.11 4.64 -1.96 0.80 113.55 122.71 1j2q h SER 106 Ca -0.28 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1j2q h SER 106 Cb 1.24 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1j2q h SER 106 CO 0.39 -0.03 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.65 1j2q n GLU 106 N -4.20 0.20 0.00 4.77 1.02 -1.26 -5.04 120.64 116.14 1j2q n GLU 106 Ca 0.36 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1j2q n GLU 106 Cb 1.61 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 31.30 1j2q n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j2q n GLY 107 N 1.36 0.30 3.36 0.62 0.00 0.28 -5.05 105.19 106.05 1j2q n GLY 107 Ca 0.06 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.01 2.26 -0.06 1.61 1.02 -1.26 -0.08 119.74 122.21 1j2q s LYS 108 Ca 0.00 -0.86 -0.31 0.00 0.02 0.00 0.00 55.97 54.83 1j2q s LYS 108 Cb 0.00 -2.15 0.11 0.00 -0.52 0.00 0.00 37.83 35.27 1j2q s LYS 108 CO 0.00 0.57 1.00 -1.54 -0.92 0.00 0.00 175.35 174.46 1j2q s SER 109 N -0.62 -0.28 -0.00 2.83 1.04 -0.95 -5.03 113.70 110.69 1j2q s SER 109 Ca 0.10 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.53 1j2q s SER 109 Cb -0.10 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1j2q s SER 109 CO -0.00 -0.50 -0.06 -0.63 0.98 0.00 0.00 173.24 173.02 1j2q s ILE 110 N -2.89 0.48 -0.06 -1.02 1.01 -1.21 -1.69 121.20 115.81 1j2q s ILE 110 Ca 0.07 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.44 1j2q s ILE 110 Cb -0.01 -0.41 -0.00 0.00 0.01 0.00 0.00 42.46 42.04 1j2q s ILE 110 CO -0.07 0.09 -0.21 -0.31 0.00 0.00 0.00 174.94 174.43 1j2q s TYR 111 N -0.24 2.15 -0.21 3.97 1.51 0.22 0.59 117.35 125.35 1j2q s TYR 111 Ca 0.01 -0.69 -0.07 0.00 -1.01 0.00 0.00 57.07 55.32 1j2q s TYR 111 Cb -0.03 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1j2q s TYR 111 CO -0.00 -0.24 0.06 0.45 -1.11 0.00 0.00 175.55 174.71 1j2q s SER 112 N 0.04 5.33 -0.06 2.29 0.15 -0.29 -0.67 113.70 120.49 1j2q s SER 112 Ca -0.07 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1j2q s SER 112 Cb -0.14 -1.93 -0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1j2q s SER 112 CO 0.04 0.08 -0.21 -0.63 1.20 0.00 0.00 173.24 173.73 1j2q s ILE 113 N 0.90 1.73 0.56 6.45 1.01 0.38 -0.87 121.20 131.36 1j2q s ILE 113 Ca 0.03 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.87 1j2q s ILE 113 Cb -0.14 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 40.91 1j2q s ILE 113 CO 0.03 0.49 0.78 1.51 0.00 0.00 0.00 174.94 177.74 1j2q s ASP 114 N 0.13 5.11 0.43 3.58 3.84 -0.88 0.41 116.67 129.30 1j2q s ASP 114 Ca -0.09 -0.47 0.22 0.00 -0.00 0.00 0.00 52.55 52.21 1j2q s ASP 114 Cb -0.14 -0.24 1.20 0.00 -1.38 0.00 0.00 42.92 42.35 1j2q s ASP 114 CO 0.04 -1.27 1.78 -0.65 -0.00 0.00 0.00 175.17 175.07 1j2q h PRO 115 N 0.12 0.30 -0.24 2.11 0.11 -1.73 0.56 132.00 133.23 1j2q h PRO 115 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1j2q h PRO 115 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1j2q h PRO 115 CO 0.44 0.20 0.00 -0.89 -0.21 0.00 0.00 178.00 177.54 1j2q n ILE 116 N -4.55 0.32 -1.41 4.15 -0.00 -1.26 -4.36 119.36 112.25 1j2q n ILE 116 Ca 0.25 -0.42 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1j2q n ILE 116 Cb 0.95 0.38 0.00 0.00 -0.00 0.00 0.00 39.64 40.97 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 1.15 0.39 3.59 7.39 0.00 0.19 -3.49 105.19 114.41 1j2q n GLY 117 Ca 0.15 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.99 1.56 -0.22 -0.02 0.00 -1.26 -4.74 107.32 99.66 1j2q s GLY 118 Ca 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 44.72 44.06 1j2q s GLY 118 CO 0.00 1.96 -0.03 0.00 0.00 0.00 0.00 173.10 175.03 1j2q s ALA 119 N 3.47 2.87 0.00 3.20 0.00 -1.26 -2.06 121.76 127.98 1j2q s ALA 119 Ca 0.36 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1j2q s ALA 119 Cb -0.12 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1j2q s ALA 119 CO 0.21 -0.38 0.00 -0.89 0.00 0.00 0.00 175.76 174.69 1j2q n ILE 120 N 4.71 0.00 -3.25 0.00 -0.00 -0.05 -4.91 119.36 115.86 1j2q n ILE 120 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1j2q n ILE 120 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.12 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 4.73 0.50 0.00 0.38 8.01 0.20 -1.14 118.70 131.38 1j2q s GLU 121 Ca 0.00 0.90 0.15 0.00 0.01 0.00 0.00 54.97 56.03 1j2q s GLU 121 Cb 0.00 0.27 0.44 0.00 -4.31 0.00 0.00 34.13 30.53 1j2q s GLU 121 CO 0.00 -0.59 1.36 1.63 0.01 0.00 0.00 175.26 177.66 1j2q n LYS 121 N 5.41 2.01 0.04 1.61 5.02 -1.26 -3.30 118.16 127.69 1j2q n LYS 121 Ca -0.03 -1.56 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 1j2q n LYS 121 Cb 0.51 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 0.77 -0.77 -4.29 4.39 5.68 -1.26 -4.81 116.55 116.25 1j2q n ASP 122 Ca 0.15 0.25 -0.25 0.00 -0.50 0.00 0.00 54.79 54.44 1j2q n ASP 122 Cb 0.38 0.96 -0.13 0.00 -1.14 0.00 0.00 41.12 41.19 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 -1.34 1.75 -0.28 2.12 -1.09 -1.26 -0.81 121.20 120.29 1j2q s ILE 123 Ca 0.00 -1.47 -0.24 0.00 -2.23 0.00 0.00 60.65 56.71 1j2q s ILE 123 Cb 0.00 -1.57 0.12 0.00 -1.58 0.00 0.00 42.46 39.43 1j2q s ILE 123 CO 0.00 0.02 0.97 0.54 -1.23 0.00 0.00 174.94 175.24 1j2q s VAL 124 N -1.06 0.00 0.11 2.92 0.11 -0.51 -4.95 120.40 117.02 1j2q s VAL 124 Ca 0.07 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 1j2q s VAL 124 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1j2q s VAL 124 CO 0.04 0.00 -0.12 0.00 -3.33 0.00 0.00 175.10 171.68 1j2q s ALA 125 N 0.41 1.31 0.03 1.54 0.00 -1.26 -0.34 121.76 123.45 1j2q s ALA 125 Ca 0.01 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 1j2q s ALA 125 Cb -0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 1j2q s ALA 125 CO -0.07 0.04 0.14 0.99 0.00 0.00 0.00 175.76 176.87 1j2q s THR 127 N -2.23 0.11 0.00 0.00 2.01 0.16 -4.88 115.64 110.81 1j2q s THR 127 Ca 0.07 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1j2q s THR 127 Cb -0.04 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.69 1j2q s THR 127 CO 0.02 -0.50 0.00 0.61 -0.69 0.00 0.00 174.62 174.05 1j2q n GLY 128 N 0.92 0.97 0.34 4.40 0.00 -1.26 -0.39 105.19 110.17 1j2q n GLY 128 Ca -0.20 -2.05 0.22 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.03 -0.92 113.55 117.83 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 -0.33 0.61 -0.87 0.00 0.00 176.83 176.24 1j2q n GLY 130 N -1.11 0.09 0.31 -0.77 0.00 -0.17 -4.65 105.19 98.89 1j2q n GLY 130 Ca -0.03 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 2.37 -0.02 -0.58 1.61 4.64 -1.27 -1.17 113.55 119.13 1j2q h SER 131 Ca 0.00 0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1j2q h SER 131 Cb 0.67 0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1j2q h SER 131 CO 0.00 -0.16 0.38 -0.07 -0.87 0.00 0.00 176.83 176.11 1j2q h LEU 132 N 0.20 0.63 -0.01 5.97 3.38 -1.82 0.27 115.31 123.93 1j2q h LEU 132 Ca 0.54 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.36 1j2q h LEU 132 Cb 1.09 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.70 1j2q h LEU 132 CO -0.66 0.45 -0.55 0.74 0.09 0.00 0.00 178.44 178.51 1j2q h THR 133 N 0.74 1.43 -0.35 0.22 2.02 -1.58 -3.17 112.91 112.22 1j2q h THR 133 Ca 0.22 -2.03 0.06 0.00 0.77 0.00 0.00 66.41 65.43 1j2q h THR 133 Cb -0.03 2.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 1j2q h THR 133 CO -0.05 0.59 0.03 0.00 0.37 0.00 0.00 175.52 176.45 1j2q h ALA 134 N 0.33 0.34 -0.94 6.16 0.00 -0.94 -0.36 119.26 123.85 1j2q h ALA 134 Ca -0.06 0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.18 1j2q h ALA 134 Cb 1.26 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1j2q h ALA 134 CO 0.11 -0.38 0.65 1.88 0.00 0.00 0.00 179.25 181.52 1j2q h TYR 135 N 0.13 0.26 0.40 0.00 -1.99 -0.50 -1.56 116.97 113.70 1j2q h TYR 135 Ca 0.17 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 1j2q h TYR 135 Cb 0.22 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 1j2q h TYR 135 CO -0.22 0.05 -0.52 0.78 -0.00 0.00 0.00 178.16 178.25 1j2q h GLY 136 N 0.18 -1.25 1.07 3.88 0.00 -1.02 0.19 103.07 106.12 1j2q h GLY 136 Ca 0.48 0.61 -0.15 0.00 0.00 0.00 0.00 47.33 48.27 1j2q h GLY 136 CO -0.10 -0.34 -0.37 -0.39 0.00 0.00 0.00 176.54 175.34 1j2q h VAL 137 N -0.95 1.28 -0.63 4.60 -1.51 -1.47 -2.64 116.25 114.93 1j2q h VAL 137 Ca -0.05 -1.54 0.08 0.00 -1.23 0.00 0.00 66.70 63.96 1j2q h VAL 137 Cb 0.85 1.48 -0.07 0.00 -2.13 0.00 0.00 31.29 31.43 1j2q h VAL 137 CO -0.13 0.51 0.29 -0.07 -1.23 0.00 0.00 177.57 176.93 1j2q h LEU 138 N 0.64 0.36 0.00 4.19 3.38 -1.17 0.15 115.31 122.86 1j2q h LEU 138 Ca 0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1j2q h LEU 138 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1j2q h LEU 138 CO 0.09 0.22 0.00 1.21 0.09 0.00 0.00 178.44 180.05 1j2q n GLU 139 N -4.91 0.07 -0.09 1.13 2.13 0.65 -2.23 120.64 117.39 1j2q n GLU 139 Ca 0.09 0.05 -0.15 0.00 0.66 0.00 0.00 57.16 57.81 1j2q n GLU 139 Cb 0.24 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.36 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 0.18 4.31 -0.00 -0.43 -3.41 116.42 117.07 1j2q h ASP 140 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 57.03 56.59 1j2q h ASP 140 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.74 1j2q h ASP 140 CO 0.00 1.19 -0.38 0.54 -0.00 0.00 0.00 179.24 180.59 1j2q n ARG 141 N -4.52 0.82 -2.90 0.28 1.74 0.02 -4.98 116.66 107.12 1j2q n ARG 141 Ca -0.21 -0.56 -0.37 0.00 -0.77 0.00 0.00 57.85 55.94 1j2q n ARG 141 Cb 0.52 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.57 3.68 -0.04 -1.55 5.36 -0.95 -5.06 117.98 116.86 1j2q s PHE 142 Ca 0.21 1.64 -0.05 0.00 -0.96 0.00 0.00 56.93 57.77 1j2q s PHE 142 Cb 0.19 -2.81 0.01 0.00 -0.34 0.00 0.00 43.02 40.06 1j2q s PHE 142 CO 0.57 0.26 0.12 0.95 -1.46 0.00 0.00 175.22 175.65 1j2q s THR 143 N -1.58 0.02 0.52 0.12 -4.23 -1.26 -5.00 115.64 104.22 1j2q s THR 143 Ca 0.48 -0.13 0.23 0.00 -1.18 0.00 0.00 61.69 61.08 1j2q s THR 143 Cb -0.18 -0.22 0.38 0.00 1.34 0.00 0.00 72.50 73.82 1j2q s THR 143 CO 0.23 -0.07 2.00 1.55 -0.54 0.00 0.00 174.62 177.78 1j2q h PRO 144 N 5.67 0.05 0.00 3.99 0.13 -1.97 -0.09 132.00 139.78 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 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1j2q h PRO 144 CO 0.43 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.62 1j2q n GLU 145 N -4.40 0.38 -1.65 0.86 4.71 -1.26 -3.76 120.64 115.51 1j2q n GLU 145 Ca 0.09 0.06 -0.43 0.00 -0.01 0.00 0.00 57.16 56.87 1j2q n GLU 145 Cb 0.55 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.48 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 -1.26 2.13 -3.90 -3.67 3.06 -0.05 -4.65 119.36 111.02 1j2q n ILE 146 Ca 0.12 -0.50 -0.32 0.00 -2.50 0.00 0.00 62.75 59.55 1j2q n ILE 146 Cb 0.18 -1.33 -0.04 0.00 0.54 0.00 0.00 39.64 38.99 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 -0.48 2.19 0.38 4.50 0.00 -1.26 -2.23 107.32 110.42 1j2q s GLY 147 Ca 0.58 -0.81 0.19 0.00 0.00 0.00 0.00 44.72 44.69 1j2q s GLY 147 CO 0.60 -0.76 1.69 -0.39 0.00 0.00 0.00 173.10 174.24 1j2q h VAL 148 N 2.23 0.35 -0.67 1.40 -1.51 -1.91 0.93 116.25 117.06 1j2q h VAL 148 Ca -0.46 -0.11 -0.04 0.00 -1.23 0.00 0.00 66.70 64.86 1j2q h VAL 148 Cb 1.17 0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.31 1j2q h VAL 148 CO 0.74 0.06 0.25 0.44 -1.23 0.00 0.00 177.57 177.83 1j2q h ASP 149 N 0.31 0.91 0.92 4.19 3.45 -1.96 -0.99 116.42 123.25 1j2q h ASP 149 Ca 0.70 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 58.03 1j2q h ASP 149 Cb 1.81 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 1j2q h ASP 149 CO -0.44 0.82 -0.86 1.05 -1.57 0.00 0.00 179.24 178.24 1j2q h GLU 150 N 0.97 0.00 -0.04 3.56 4.11 -1.59 -3.30 114.58 118.28 1j2q h GLU 150 Ca 0.22 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.54 1j2q h GLU 150 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1j2q h GLU 150 CO -0.02 0.00 -0.50 0.00 0.07 0.00 0.00 179.01 178.56 1j2q h ALA 151 N 2.23 1.08 0.00 1.06 0.00 -0.15 -0.05 119.26 123.43 1j2q h ALA 151 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1j2q h ALA 151 Cb 0.89 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1j2q h ALA 151 CO 0.00 0.64 -0.59 -0.39 0.00 0.00 0.00 179.25 178.92 1j2q h VAL 152 N 0.09 1.34 -0.07 0.00 -1.51 -1.29 0.32 116.25 115.14 1j2q h VAL 152 Ca 0.00 -2.06 -0.03 0.00 -1.23 0.00 0.00 66.70 63.38 1j2q h VAL 152 Cb 0.92 2.14 -0.00 0.00 -2.13 0.00 0.00 31.29 32.21 1j2q h VAL 152 CO 0.07 0.57 -0.06 -0.08 -1.23 0.00 0.00 177.57 176.84 1j2q h GLU 153 N 0.00 0.16 -0.67 5.19 4.81 -1.54 -1.38 114.58 121.15 1j2q h GLU 153 Ca -0.01 -0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1j2q h GLU 153 Cb 1.09 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 1j2q h GLU 153 CO 0.08 0.60 0.28 1.25 -0.73 0.00 0.00 179.01 180.49 1j2q h LEU 154 N -0.27 0.32 -0.09 1.64 5.85 -0.81 0.15 115.31 122.09 1j2q h LEU 154 Ca 0.01 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1j2q h LEU 154 Cb 0.57 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1j2q h LEU 154 CO 0.02 0.18 0.04 0.00 -0.34 0.00 0.00 178.44 178.33 1j2q h ALA 155 N 1.44 0.11 -0.45 1.25 0.00 -0.81 -0.36 119.26 120.43 1j2q h ALA 155 Ca 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1j2q h ALA 155 Cb 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1j2q h ALA 155 CO -0.30 -0.42 0.19 0.28 0.00 0.00 0.00 179.25 179.00 1j2q h VAL 156 N 0.09 1.17 0.42 0.00 2.07 -0.23 -2.01 116.25 117.75 1j2q h VAL 156 Ca 0.04 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1j2q h VAL 156 Cb 0.01 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1j2q h VAL 156 CO -0.03 0.20 -0.20 -0.09 0.02 0.00 0.00 177.57 177.47 1j2q h ARG 157 N 0.64 -0.54 0.03 1.57 2.43 -0.09 -1.37 114.38 117.06 1j2q h ARG 157 Ca 0.16 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1j2q h ARG 157 Cb 0.11 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1j2q h ARG 157 CO -0.02 -0.34 -0.02 0.00 -1.51 0.00 0.00 179.97 178.08 1j2q h ALA 158 N -0.01 -0.05 0.00 2.80 0.00 -0.78 -1.86 119.26 119.35 1j2q h ALA 158 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1j2q h ALA 158 Cb 0.45 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j2q h ALA 158 CO 0.09 -0.53 -0.09 0.82 0.00 0.00 0.00 179.25 179.55 1j2q h ILE 159 N -0.06 0.39 -0.19 0.00 2.04 -1.37 -1.04 117.51 117.28 1j2q h ILE 159 Ca -0.00 -0.47 -0.19 0.00 1.00 0.00 0.00 64.86 65.20 1j2q h ILE 159 Cb 0.05 1.33 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1j2q h ILE 159 CO 0.00 0.08 -0.62 0.22 0.00 0.00 0.00 178.15 177.83 1j2q h TYR 160 N 0.00 1.00 -0.15 1.37 3.20 -0.69 -1.93 116.97 119.77 1j2q h TYR 160 Ca -0.00 -0.41 -0.01 0.00 3.14 0.00 0.00 58.73 61.45 1j2q h TYR 160 Cb 0.32 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1j2q h TYR 160 CO 0.00 1.22 0.06 0.77 -1.64 0.00 0.00 178.16 178.58 1j2q h SER 161 N 0.49 0.21 -0.83 -2.11 0.02 -0.51 -2.89 113.55 107.93 1j2q h SER 161 Ca -0.02 -0.16 0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1j2q h SER 161 Cb 1.25 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.66 1j2q h SER 161 CO 0.13 0.31 0.47 0.00 -1.14 0.00 0.00 176.83 176.60 1j2q h ALA 162 N 0.91 1.19 0.00 3.77 0.00 -1.20 -0.06 119.26 123.86 1j2q h ALA 162 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1j2q h ALA 162 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1j2q h ALA 162 CO -0.00 0.07 0.00 0.52 0.00 0.00 0.00 179.25 179.83 1j2q h MET 163 N 0.76 0.00 0.00 0.00 2.07 -1.13 -0.53 114.93 116.10 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 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1j2q h MET 163 CO -0.27 0.00 -0.13 0.87 1.07 0.00 0.00 176.91 178.45 1j2q h LYS 164 N 0.00 0.00 0.00 1.72 1.57 -0.95 -3.36 116.57 115.55 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 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 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 -2.84 -0.42 -3.99 3.15 5.12 -0.58 -4.95 116.66 112.15 1j2q n ARG 165 Ca 0.04 -0.38 -0.31 0.00 -1.93 0.00 0.00 57.85 55.27 1j2q n ARG 165 Cb 0.51 -0.81 -0.15 0.00 -1.16 0.00 0.00 32.46 30.84 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 -0.05 4.52 0.40 0.55 3.68 -0.31 -4.97 116.67 120.49 1j2q s ASP 166 Ca 0.00 -1.83 0.28 0.00 2.13 0.00 0.00 52.55 53.13 1j2q s ASP 166 Cb 0.00 -1.48 1.40 0.00 -1.45 0.00 0.00 42.92 41.39 1j2q s ASP 166 CO 0.00 -0.33 1.84 0.77 0.13 0.00 0.00 175.17 177.59 1j2q h SER 167 N 7.73 0.00 0.54 -0.34 4.64 -1.87 -0.93 113.55 123.32 1j2q h SER 167 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1j2q h SER 167 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1j2q h SER 167 CO 0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 176.36 1j2q n ALA 168 N -1.86 2.67 -2.32 5.18 0.00 -1.26 -4.85 120.51 118.06 1j2q n ALA 168 Ca -0.01 -0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.00 1j2q n ALA 168 Cb 0.11 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.63 4.87 0.00 0.00 0.01 -0.35 -0.37 113.70 115.23 1j2q s SER 169 Ca 0.25 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1j2q s SER 169 Cb 0.20 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1j2q s SER 169 CO 0.50 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1j2q n GLY 170 N -1.42 0.49 4.14 3.44 0.00 -1.26 -4.88 105.19 105.70 1j2q n GLY 170 Ca 0.01 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 0.54 0.00 0.00 1.61 10.43 -1.26 -2.30 116.55 125.57 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 -0.06 0.00 0.00 1.84 0.00 0.00 41.12 42.90 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 -1.66 -2.54 3.39 0.44 0.00 -1.26 -4.87 105.19 98.68 1j2q n GLY 172 Ca 0.00 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.17 -0.02 0.05 -0.61 2.07 -1.26 -2.69 121.20 116.58 1j2q s ILE 173 Ca 0.00 0.06 -0.06 0.00 -1.41 0.00 0.00 60.65 59.24 1j2q s ILE 173 Cb 0.00 -0.73 -0.05 0.00 0.13 0.00 0.00 42.46 41.81 1j2q s ILE 173 CO 0.00 0.02 0.30 -1.81 -1.91 0.00 0.00 174.94 171.54 1j2q s ASP 174 N 1.40 6.49 0.04 4.50 -0.00 0.26 -4.92 116.67 124.44 1j2q s ASP 174 Ca -0.09 0.55 0.01 0.00 -0.00 0.00 0.00 52.55 53.02 1j2q s ASP 174 Cb -0.07 -2.08 -0.03 0.00 -0.00 0.00 0.00 42.92 40.74 1j2q s ASP 174 CO -0.14 0.19 -0.06 -0.69 -0.00 0.00 0.00 175.17 174.46 1j2q s VAL 175 N -1.42 0.44 -0.05 -1.27 1.01 -1.26 -1.86 120.40 116.00 1j2q s VAL 175 Ca 0.32 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1j2q s VAL 175 Cb -0.13 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.59 1j2q s VAL 175 CO 0.20 -0.50 0.10 -0.69 0.00 0.00 0.00 175.10 174.21 1j2q s VAL 176 N -1.78 -0.04 -0.10 2.92 1.01 0.31 -3.12 120.40 119.60 1j2q s VAL 176 Ca -0.08 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 1j2q s VAL 176 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 1j2q s VAL 176 CO -0.01 0.06 -0.06 -0.75 0.00 0.00 0.00 175.10 174.34 1j2q s LYS 177 N 0.87 3.09 -0.37 2.72 2.20 0.07 -1.72 119.74 126.59 1j2q s LYS 177 Ca -0.07 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 1j2q s LYS 177 Cb -0.09 -2.71 0.11 0.00 -1.51 0.00 0.00 37.83 33.64 1j2q s LYS 177 CO -0.04 0.51 0.15 0.42 -0.36 0.00 0.00 175.35 176.03 1j2q s ILE 178 N -0.38 1.38 -0.21 5.43 1.01 0.82 -0.35 121.20 128.89 1j2q s ILE 178 Ca 0.06 -2.07 -0.18 0.00 0.00 0.00 0.00 60.65 58.46 1j2q s ILE 178 Cb -0.12 -2.00 -0.18 0.00 0.01 0.00 0.00 42.46 40.16 1j2q s ILE 178 CO 0.02 -0.75 0.11 1.07 0.00 0.00 0.00 174.94 175.40 1j2q n THR 179 N 4.19 1.56 0.00 2.92 5.66 -0.56 -1.03 114.28 127.01 1j2q n THR 179 Ca 0.03 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1j2q n THR 179 Cb 0.39 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.20 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 -4.28 0.00 0.00 1.09 2.13 -1.26 -4.63 120.64 113.69 1j2q n GLU 180 Ca -0.37 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.61 1j2q n GLU 180 Cb 0.76 0.00 0.81 0.00 0.27 0.00 0.00 31.44 33.29 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 0.01 -3.64 4.31 9.92 -1.26 -4.89 116.55 120.99 1j2q n ASP 181 Ca 0.00 -0.39 -0.03 0.00 -0.53 0.00 0.00 54.79 53.83 1j2q n ASP 181 Cb 0.00 -0.20 -0.01 0.00 -0.64 0.00 0.00 41.12 40.27 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 -2.41 0.79 -0.34 -1.24 2.12 -1.26 -5.08 118.70 111.28 1j2q s GLU 182 Ca 0.34 -0.39 -0.01 0.00 0.36 0.00 0.00 54.97 55.27 1j2q s GLU 182 Cb 0.21 0.29 0.12 0.00 0.26 0.00 0.00 34.13 35.01 1j2q s GLU 182 CO 0.44 -0.36 0.16 0.12 -0.54 0.00 0.00 175.26 175.08 1j2q s PHE 183 N -2.91 1.16 -0.06 5.30 5.36 -1.26 -1.50 117.98 124.08 1j2q s PHE 183 Ca 0.11 -1.61 -0.02 0.00 -0.96 0.00 0.00 56.93 54.45 1j2q s PHE 183 Cb 0.00 -1.35 -0.04 0.00 -0.34 0.00 0.00 43.02 41.30 1j2q s PHE 183 CO -0.03 -0.84 0.05 -0.47 -1.46 0.00 0.00 175.22 172.48 1j2q s TYR 184 N 1.38 3.27 -0.22 10.12 6.04 0.53 -4.96 117.35 133.52 1j2q s TYR 184 Ca 0.13 0.24 0.01 0.00 0.04 0.00 0.00 57.07 57.50 1j2q s TYR 184 Cb -0.20 -1.79 0.05 0.00 -1.04 0.00 0.00 41.96 38.98 1j2q s TYR 184 CO -0.17 0.54 -0.10 -1.14 -1.54 0.00 0.00 175.55 173.14 1j2q s GLN 185 N -1.24 2.05 0.53 4.97 0.74 -1.26 -0.76 119.66 124.69 1j2q s GLN 185 Ca 0.17 -0.97 0.24 0.00 0.05 0.00 0.00 55.36 54.86 1j2q s GLN 185 Cb -0.12 -2.55 1.33 0.00 1.10 0.00 0.00 33.01 32.78 1j2q s GLN 185 CO 0.07 -0.47 1.72 1.88 -0.55 0.00 0.00 175.29 177.93 1j2q h TYR 186 N 7.93 0.00 -2.80 1.67 -1.99 -1.96 -3.49 116.97 116.33 1j2q h TYR 186 Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 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 0.53 0.00 -0.69 0.43 -0.00 0.00 0.00 178.16 178.43 1j2q n SER 187 N -2.58 -6.75 -0.63 3.88 7.64 -1.26 -3.65 113.62 110.27 1j2q n SER 187 Ca -0.02 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1j2q n SER 187 Cb 0.32 -3.39 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 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 -0.92 0.00 0.00 1.43 -0.04 -1.26 -2.35 135.00 131.86 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 -0.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.10 0.00 -0.04 0.54 1.02 -1.24 0.24 120.64 121.26 1j2q n GLU 188 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1j2q n GLU 188 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 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 1.42 -0.45 2.62 2.07 -1.64 -2.10 116.25 118.17 1j2q h VAL 189 Ca 0.00 -1.51 0.13 0.00 0.82 0.00 0.00 66.70 66.14 1j2q h VAL 189 Cb 0.00 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1j2q h VAL 189 CO 0.00 0.42 0.37 -0.08 0.02 0.00 0.00 177.57 178.31 1j2q h GLU 190 N -0.26 0.00 0.00 1.57 4.57 -0.48 0.38 114.58 120.36 1j2q h GLU 190 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1j2q h GLU 190 Cb 0.77 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1j2q h GLU 190 CO 0.04 0.00 -0.82 0.37 -1.18 0.00 0.00 179.01 177.41 1j2q h GLN 191 N 0.00 0.00 0.16 1.92 4.15 -1.75 -2.96 115.11 116.63 1j2q h GLN 191 Ca 0.21 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.32 1j2q h GLN 191 Cb 0.95 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.65 1j2q h GLN 191 CO -0.00 0.07 -1.45 0.82 -1.93 0.00 0.00 178.83 176.34 1j2q h ILE 192 N 0.00 1.28 -0.00 2.39 2.04 0.38 -3.20 117.51 120.40 1j2q h ILE 192 Ca -0.02 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 63.00 1j2q h ILE 192 Cb 1.10 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 1j2q h ILE 192 CO 0.01 0.85 -0.11 0.00 0.00 0.00 0.00 178.15 178.90 1j2q n LEU 193 N -3.55 0.32 0.23 1.44 -0.00 -0.32 -3.21 117.00 111.91 1j2q n LEU 193 Ca -0.15 0.12 0.10 0.00 -0.00 0.00 0.00 56.01 56.09 1j2q n LEU 193 Cb 1.06 -0.25 0.55 0.00 -0.00 0.00 0.00 43.42 44.78 1j2q n LEU 193 CO 0.54 0.06 0.85 0.00 -0.00 0.00 0.00 177.39 178.84 1j2q h ALA 194 N 3.45 1.15 -0.05 1.47 0.00 -1.32 -1.52 119.26 122.45 1j2q h ALA 194 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1j2q h ALA 194 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1j2q h ALA 194 CO 0.00 0.27 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1j2q n LYS 195 N -3.56 1.14 0.00 0.00 5.02 -1.20 -4.30 118.16 115.27 1j2q n LYS 195 Ca -0.01 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1j2q n LYS 195 Cb 0.36 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 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 -0.27 0.00 -0.65 2.13 0.99 -0.58 -5.07 117.46 114.01 1j2q n PHE 196 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1j2q n PHE 196 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.58 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 -1.29 0.00 0.00 -1.08 3.00 -1.18 -5.17 116.66 110.95 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