#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 -0.11 0.01 12.58 -1.32 -1.25 -0.52 115.64 125.03 1j2q s THR 2 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1j2q s THR 2 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1j2q s THR 2 CO 0.00 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 172.78 1j2q s THR 3 N 1.69 0.32 0.19 5.08 -4.23 0.45 -2.76 115.64 116.38 1j2q s THR 3 Ca -0.09 -0.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.94 1j2q s THR 3 Cb -0.05 -0.35 -0.05 0.00 1.34 0.00 0.00 72.50 73.39 1j2q s THR 3 CO -0.18 -0.16 -0.14 0.68 -0.54 0.00 0.00 174.62 174.28 1j2q s VAL 4 N -0.70 1.63 -0.18 2.29 -7.23 0.10 0.44 120.40 116.75 1j2q s VAL 4 Ca -0.05 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 57.83 1j2q s VAL 4 Cb -0.05 -2.00 0.06 0.00 0.56 0.00 0.00 36.38 34.94 1j2q s VAL 4 CO -0.00 -0.62 0.45 -0.83 -0.31 0.00 0.00 175.10 173.79 1j2q s GLY 5 N -3.28 -0.36 -0.01 2.32 0.00 0.33 -1.62 107.32 104.70 1j2q s GLY 5 Ca 0.21 1.60 0.01 0.00 0.00 0.00 0.00 44.72 46.54 1j2q s GLY 5 CO 0.06 1.69 -0.03 0.48 0.00 0.00 0.00 173.10 175.30 1j2q s LEU 6 N 1.28 1.67 -0.33 0.66 2.34 -0.27 -1.64 118.68 122.39 1j2q s LEU 6 Ca -0.08 -0.06 -0.17 0.00 0.06 0.00 0.00 54.13 53.87 1j2q s LEU 6 Cb -0.07 -0.22 -0.01 0.00 -0.56 0.00 0.00 46.19 45.32 1j2q s LEU 6 CO -0.12 -0.01 0.48 0.68 -1.06 0.00 0.00 176.35 176.32 1j2q s VAL 7 N 0.36 5.06 0.64 1.48 -7.23 -0.20 -1.70 120.40 118.82 1j2q s VAL 7 Ca -0.04 0.40 0.04 0.00 -1.81 0.00 0.00 61.98 60.57 1j2q s VAL 7 Cb -0.07 -3.90 0.10 0.00 0.56 0.00 0.00 36.38 33.07 1j2q s VAL 7 CO -0.01 -0.13 0.89 0.00 -0.31 0.00 0.00 175.10 175.55 1j2q h LYS 9 N -0.18 0.00 -0.33 0.00 2.10 -1.54 -3.27 116.57 113.34 1j2q h LYS 9 Ca -0.34 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.09 1j2q h LYS 9 Cb 1.28 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.46 1j2q h LYS 9 CO 0.41 0.50 -0.39 -0.40 -2.00 0.00 0.00 179.45 177.57 1j2q n ASP 10 N -3.64 2.96 0.00 7.07 5.75 -1.26 -5.08 116.55 122.35 1j2q n ASP 10 Ca -0.01 -3.83 0.00 0.00 -0.01 0.00 0.00 54.79 50.94 1j2q n ASP 10 Cb 0.57 -0.54 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 -1.02 0.66 2.98 6.12 0.00 -1.23 -4.65 105.19 108.05 1j2q n GLY 11 Ca 0.31 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.30 0.35 -0.02 1.61 1.01 -0.07 -1.05 120.40 118.93 1j2q s VAL 12 Ca 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1j2q s VAL 12 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1j2q s VAL 12 CO 0.00 -0.11 -0.15 -0.69 0.00 0.00 0.00 175.10 174.15 1j2q s VAL 13 N -0.60 1.23 -0.05 2.92 1.01 -0.69 -0.41 120.40 123.81 1j2q s VAL 13 Ca -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1j2q s VAL 13 Cb -0.05 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1j2q s VAL 13 CO -0.00 0.35 0.13 -0.04 0.00 0.00 0.00 175.10 175.54 1j2q s MET 14 N -0.28 0.14 0.09 2.72 -1.94 -0.69 -1.11 119.30 118.22 1j2q s MET 14 Ca 0.04 0.20 -0.10 0.00 -1.71 0.00 0.00 55.69 54.13 1j2q s MET 14 Cb -0.07 0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.81 1j2q s MET 14 CO -0.00 -0.04 0.22 0.00 -0.01 0.00 0.00 175.02 175.18 1j2q s ALA 15 N 0.24 -0.32 0.19 3.03 0.00 -0.64 -0.24 121.76 124.02 1j2q s ALA 15 Ca -0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 1j2q s ALA 15 Cb -0.03 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1j2q s ALA 15 CO -0.01 -0.51 0.48 0.95 0.00 0.00 0.00 175.76 176.67 1j2q s THR 16 N -3.75 0.03 0.17 0.00 -4.23 -0.69 -0.72 115.64 106.45 1j2q s THR 16 Ca 0.04 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1j2q s THR 16 Cb 0.04 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.25 1j2q s THR 16 CO -0.11 -0.15 0.23 -1.84 -0.54 0.00 0.00 174.62 172.22 1j2q n GLU 17 N -0.32 0.79 -0.29 3.99 -0.00 -1.11 -0.74 120.64 122.96 1j2q n GLU 17 Ca -0.09 -0.83 0.08 0.00 -0.00 0.00 0.00 57.16 56.32 1j2q n GLU 17 Cb 0.62 -0.09 0.19 0.00 -0.00 0.00 0.00 31.44 32.16 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 -1.38 1.82 -3.63 3.44 4.76 -0.97 -4.75 118.16 117.45 1j2q n LYS 18 Ca 0.05 -2.77 -0.37 0.00 -2.87 0.00 0.00 58.31 52.34 1j2q n LYS 18 Cb 0.16 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 31.66 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 -2.93 3.74 -0.06 1.97 3.52 -1.08 -1.53 118.95 122.58 1j2q s ARG 19 Ca 0.37 0.20 0.01 0.00 -0.13 0.00 0.00 55.73 56.17 1j2q s ARG 19 Cb 0.32 -3.17 0.02 0.00 -1.56 0.00 0.00 34.95 30.56 1j2q s ARG 19 CO 0.03 0.69 -0.07 0.00 -0.81 0.00 0.00 175.30 175.14 1j2q s ALA 20 N -1.13 0.99 0.18 6.12 0.00 -0.48 -4.46 121.76 122.98 1j2q s ALA 20 Ca 0.23 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1j2q s ALA 20 Cb -0.15 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1j2q s ALA 20 CO 0.12 -0.06 -0.11 0.95 0.00 0.00 0.00 175.76 176.66 1j2q s THR 21 N 1.01 1.42 -0.37 0.00 -4.23 -1.26 -0.55 115.64 111.66 1j2q s THR 21 Ca -0.09 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.30 1j2q s THR 21 Cb -0.14 -1.99 0.14 0.00 1.34 0.00 0.00 72.50 71.85 1j2q s THR 21 CO -0.00 -0.64 0.22 -0.32 -0.54 0.00 0.00 174.62 173.34 1j2q s MET 22 N -3.71 0.67 6.73 3.99 1.75 -0.51 -4.88 119.30 123.34 1j2q s MET 22 Ca 0.20 -1.47 0.00 0.00 -1.25 0.00 0.00 55.69 53.17 1j2q s MET 22 Cb 0.01 -1.44 0.00 0.00 2.84 0.00 0.00 34.83 36.24 1j2q s MET 22 CO 0.04 -1.22 0.00 0.41 -0.65 0.00 0.00 175.02 173.60 1j2q n GLY 23 N 3.89 1.62 0.27 2.11 0.00 -1.26 -2.57 105.19 109.24 1j2q n GLY 23 Ca 0.13 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 7.64 1.52 -4.66 1.61 5.03 -1.26 -4.91 115.26 120.23 1j2q n ASN 24 Ca 0.00 -1.26 -0.43 0.00 0.87 0.00 0.00 54.58 53.76 1j2q n ASN 24 Cb 0.00 0.70 -0.02 0.00 -1.02 0.00 0.00 39.78 39.44 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 -2.60 2.49 -0.62 3.10 5.36 -1.06 -4.95 117.98 119.69 1j2q s PHE 25 Ca 0.13 0.69 -0.25 0.00 -0.96 0.00 0.00 56.93 56.54 1j2q s PHE 25 Cb 0.16 -3.70 0.05 0.00 -0.34 0.00 0.00 43.02 39.19 1j2q s PHE 25 CO 0.66 -2.54 1.06 0.42 -1.46 0.00 0.00 175.22 173.36 1j2q s ILE 26 N 3.84 4.18 0.00 3.12 1.01 -1.26 -1.43 121.20 130.66 1j2q s ILE 26 Ca 0.62 0.22 0.11 0.00 0.00 0.00 0.00 60.65 61.60 1j2q s ILE 26 Cb -0.26 -4.69 -0.10 0.00 0.01 0.00 0.00 42.46 37.42 1j2q s ILE 26 CO 0.21 -1.40 1.31 0.00 0.00 0.00 0.00 174.94 175.06 1j2q h ALA 27 N 9.57 0.50 -2.76 9.38 0.00 -1.17 -3.46 119.26 131.32 1j2q h ALA 27 Ca -0.27 -0.76 -0.13 0.00 0.00 0.00 0.00 54.91 53.76 1j2q h ALA 27 Cb 1.07 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.51 1j2q h ALA 27 CO 1.17 1.01 -0.29 0.45 0.00 0.00 0.00 179.25 181.59 1j2q s SER 28 N -6.56 -0.44 0.00 0.00 0.15 -0.83 -4.97 113.70 101.05 1j2q s SER 28 Ca 0.02 0.80 0.23 0.00 0.70 0.00 0.00 55.95 57.70 1j2q s SER 28 Cb 0.09 0.76 0.02 0.00 -1.71 0.00 0.00 66.02 65.18 1j2q s SER 28 CO 0.79 -0.16 1.10 0.29 1.20 0.00 0.00 173.24 176.46 1j2q n LYS 29 N 3.49 0.91 -1.97 5.44 4.76 -1.26 -1.39 118.16 128.14 1j2q n LYS 29 Ca -0.18 -0.73 0.00 0.00 -2.87 0.00 0.00 58.31 54.53 1j2q n LYS 29 Cb 0.56 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 32.32 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 -0.41 2.80 -1.76 7.82 0.00 -1.01 -4.57 120.51 123.38 1j2q n ALA 30 Ca 0.08 -2.72 -0.39 0.00 0.00 0.00 0.00 53.44 50.41 1j2q n ALA 30 Cb 0.43 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 19.18 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 -2.08 3.13 -0.12 0.00 0.00 -0.58 -4.97 121.76 117.14 1j2q s ALA 31 Ca 0.33 1.42 -0.20 0.00 0.00 0.00 0.00 51.96 53.52 1j2q s ALA 31 Cb 0.36 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1j2q s ALA 31 CO -0.09 -1.23 0.55 0.21 0.00 0.00 0.00 175.76 175.20 1j2q s LYS 32 N -2.57 4.34 -0.02 0.00 2.20 -1.26 -4.58 119.74 117.85 1j2q s LYS 32 Ca 0.64 0.57 0.02 0.00 -0.36 0.00 0.00 55.97 56.84 1j2q s LYS 32 Cb -0.43 -3.47 0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1j2q s LYS 32 CO 0.54 0.06 0.82 1.63 -0.36 0.00 0.00 175.35 178.04 1j2q n LYS 33 N 3.96 0.75 -4.08 4.03 5.02 -1.26 -4.97 118.16 121.60 1j2q n LYS 33 Ca -0.05 -1.10 -0.24 0.00 -2.02 0.00 0.00 58.31 54.90 1j2q n LYS 33 Cb 0.51 -0.73 -0.17 0.00 -0.02 0.00 0.00 35.03 34.63 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 -0.57 0.78 0.13 -0.18 -1.16 -1.26 -1.36 121.20 117.58 1j2q s ILE 34 Ca 0.04 -0.20 0.09 0.00 -0.51 0.00 0.00 60.65 60.08 1j2q s ILE 34 Cb 0.04 -0.81 -0.04 0.00 0.61 0.00 0.00 42.46 42.26 1j2q s ILE 34 CO 0.00 0.31 -0.23 -0.31 -2.81 0.00 0.00 174.94 171.90 1j2q s TYR 35 N 1.35 2.00 -0.24 3.50 2.02 0.17 -4.95 117.35 121.20 1j2q s TYR 35 Ca -0.03 -0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 56.16 1j2q s TYR 35 Cb -0.14 -1.07 -0.05 0.00 -0.40 0.00 0.00 41.96 40.30 1j2q s TYR 35 CO -0.03 0.29 0.16 -1.14 -1.57 0.00 0.00 175.55 173.25 1j2q s GLN 36 N -2.11 4.08 -0.24 -0.62 0.74 -1.26 -0.54 119.66 119.70 1j2q s GLN 36 Ca 0.11 -0.27 -0.13 0.00 0.05 0.00 0.00 55.36 55.13 1j2q s GLN 36 Cb -0.09 -3.54 -0.16 0.00 1.10 0.00 0.00 33.01 30.32 1j2q s GLN 36 CO 0.05 0.07 -0.12 -0.89 -0.55 0.00 0.00 175.29 173.85 1j2q n ILE 37 N 4.26 1.55 -4.21 -2.34 2.08 -0.32 -4.95 119.36 115.43 1j2q n ILE 37 Ca -0.15 -0.35 -0.12 0.00 0.56 0.00 0.00 62.75 62.69 1j2q n ILE 37 Cb 0.52 -1.83 -0.04 0.00 -0.75 0.00 0.00 39.64 37.54 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 0.35 -0.19 -1.39 0.00 -1.15 -4.70 120.51 109.68 1j2q n ALA 38 Ca -0.45 -1.07 -0.01 0.00 0.00 0.00 0.00 53.44 51.91 1j2q n ALA 38 Cb 0.87 0.80 0.21 0.00 0.00 0.00 0.00 19.45 21.33 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 0.98 0.85 -0.80 0.00 3.32 -1.97 -3.11 116.42 115.69 1j2q h ASP 39 Ca -0.15 -0.07 -0.50 0.00 0.02 0.00 0.00 57.03 56.33 1j2q h ASP 39 Cb 0.64 -0.22 -0.42 0.00 0.22 0.00 0.00 39.33 39.56 1j2q h ASP 39 CO 0.22 0.70 -0.87 0.54 -1.72 0.00 0.00 179.24 178.11 1j2q n ARG 40 N -4.36 3.20 -3.75 3.56 5.12 -1.26 -4.64 116.66 114.53 1j2q n ARG 40 Ca 0.07 -4.07 -0.13 0.00 -1.93 0.00 0.00 57.85 51.78 1j2q n ARG 40 Cb 0.11 -2.13 -0.14 0.00 -1.16 0.00 0.00 32.46 29.14 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 -3.61 0.12 0.34 5.56 1.75 -1.18 0.06 119.30 122.34 1j2q s MET 41 Ca 0.46 0.40 0.04 0.00 -1.25 0.00 0.00 55.69 55.34 1j2q s MET 41 Cb 0.39 -0.15 -0.06 0.00 2.84 0.00 0.00 34.83 37.85 1j2q s MET 41 CO -0.00 -0.16 0.06 0.00 -0.65 0.00 0.00 175.02 174.27 1j2q s ALA 42 N 1.14 2.47 -0.11 4.11 0.00 0.12 -1.17 121.76 128.31 1j2q s ALA 42 Ca -0.09 -2.04 -0.08 0.00 0.00 0.00 0.00 51.96 49.75 1j2q s ALA 42 Cb -0.11 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.66 1j2q s ALA 42 CO -0.06 -0.29 0.28 1.41 0.00 0.00 0.00 175.76 177.10 1j2q s MET 43 N -3.87 0.29 0.02 0.00 1.75 0.30 -1.42 119.30 116.37 1j2q s MET 43 Ca 0.36 0.49 0.03 0.00 -1.25 0.00 0.00 55.69 55.32 1j2q s MET 43 Cb 0.09 0.04 -0.03 0.00 2.84 0.00 0.00 34.83 37.76 1j2q s MET 43 CO 0.16 -0.10 -0.05 0.95 -0.65 0.00 0.00 175.02 175.32 1j2q s THR 44 N 0.70 3.74 -0.11 10.11 -4.23 0.45 0.45 115.64 126.74 1j2q s THR 44 Ca -0.05 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 1j2q s THR 44 Cb -0.06 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.14 1j2q s THR 44 CO -0.04 0.35 -0.20 0.42 -0.54 0.00 0.00 174.62 174.61 1j2q s THR 45 N -1.05 1.82 0.03 3.99 -4.23 -0.46 -1.65 115.64 114.09 1j2q s THR 45 Ca 0.18 -0.85 0.07 0.00 -1.18 0.00 0.00 61.69 59.91 1j2q s THR 45 Cb -0.11 -1.62 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 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 0.72 1.76 0.00 3.99 0.00 -0.53 -4.85 121.76 122.86 1j2q s ALA 46 Ca -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1j2q s ALA 46 Cb -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1j2q s ALA 46 CO 0.02 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1j2q n GLY 47 N 2.03 0.19 3.67 0.00 0.00 -1.26 0.84 105.19 110.66 1j2q n GLY 47 Ca -0.17 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 6.70 0.10 1.61 0.15 0.82 -4.91 113.70 114.17 1j2q s SER 48 Ca 0.00 2.26 -0.33 0.00 0.70 0.00 0.00 55.95 58.58 1j2q s SER 48 Cb 0.00 -2.55 -0.13 0.00 -1.71 0.00 0.00 66.02 61.63 1j2q s SER 48 CO 0.00 -0.86 1.59 0.58 1.20 0.00 0.00 173.24 175.75 1j2q h VAL 49 N 5.20 0.14 -0.68 4.45 2.07 -1.95 0.14 116.25 125.61 1j2q h VAL 49 Ca -0.39 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.24 1j2q h VAL 49 Cb 1.18 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 1j2q h VAL 49 CO 0.94 0.00 0.28 1.23 0.02 0.00 0.00 177.57 180.03 1j2q h GLY 50 N -0.80 1.00 0.80 2.17 0.00 -1.98 0.88 103.07 105.14 1j2q h GLY 50 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1j2q h GLY 50 CO -0.14 -0.03 -0.02 -0.55 0.00 0.00 0.00 176.54 175.80 1j2q h ASP 51 N 0.46 0.33 -0.46 0.19 3.45 -1.83 -1.72 116.42 116.83 1j2q h ASP 51 Ca 0.35 -0.34 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 1j2q h ASP 51 Cb 0.47 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 1j2q h ASP 51 CO -0.34 0.59 0.25 0.00 -1.57 0.00 0.00 179.24 178.17 1j2q h ALA 52 N 0.75 0.59 -0.76 3.45 0.00 -0.29 -0.21 119.26 122.80 1j2q h ALA 52 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1j2q h ALA 52 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1j2q h ALA 52 CO 0.01 0.13 0.36 1.96 0.00 0.00 0.00 179.25 181.71 1j2q h GLN 53 N 0.61 1.10 0.44 0.00 4.20 -0.83 0.18 115.11 120.81 1j2q h GLN 53 Ca 0.16 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1j2q h GLN 53 Cb 0.07 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1j2q h GLN 53 CO -0.02 0.86 -0.21 0.35 -0.67 0.00 0.00 178.83 179.14 1j2q h PHE 54 N 1.07 -0.55 -0.82 2.96 3.57 -0.94 -2.66 116.94 119.57 1j2q h PHE 54 Ca 0.26 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1j2q h PHE 54 Cb 0.13 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1j2q h PHE 54 CO 0.01 -0.29 0.54 -0.07 -2.23 0.00 0.00 178.31 176.27 1j2q h LEU 55 N -0.68 0.81 -0.25 0.59 4.07 -0.87 -2.54 115.31 116.43 1j2q h LEU 55 Ca -0.06 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.93 1j2q h LEU 55 Cb 0.50 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 1j2q h LEU 55 CO 0.10 0.52 0.10 0.00 -1.08 0.00 0.00 178.44 178.08 1j2q h ALA 56 N 1.55 0.29 -0.11 1.53 0.00 -0.78 0.86 119.26 122.59 1j2q h ALA 56 Ca 0.35 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.33 1j2q h ALA 56 Cb 0.21 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1j2q h ALA 56 CO -0.12 -0.31 -0.21 0.00 0.00 0.00 0.00 179.25 178.60 1j2q h ARG 57 N 0.22 -0.27 -0.18 0.00 3.08 -1.11 0.22 114.38 116.34 1j2q h ARG 57 Ca 0.11 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.22 1j2q h ARG 57 Cb 0.07 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1j2q h ARG 57 CO -0.10 -0.18 -0.09 0.82 -1.07 0.00 0.00 179.97 179.35 1j2q h ILE 58 N -0.28 0.72 -0.08 2.04 1.08 -1.21 -1.36 117.51 118.42 1j2q h ILE 58 Ca 0.09 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.60 1j2q h ILE 58 Cb 0.42 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 1j2q h ILE 58 CO -0.27 0.00 -0.17 0.40 -0.69 0.00 0.00 178.15 177.42 1j2q h ILE 59 N -0.07 0.56 0.45 -0.67 1.08 -0.28 -1.16 117.51 117.43 1j2q h ILE 59 Ca 0.10 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.56 1j2q h ILE 59 Cb 0.22 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 1j2q h ILE 59 CO -0.22 0.00 -0.44 0.11 -0.69 0.00 0.00 178.15 176.90 1j2q h LYS 60 N -0.24 -0.87 -0.79 2.37 1.57 -0.66 -0.98 116.57 116.97 1j2q h LYS 60 Ca 0.08 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.10 1j2q h LYS 60 Cb 0.35 0.20 -0.11 0.00 0.08 0.00 0.00 32.23 32.75 1j2q h LYS 60 CO -0.22 -0.58 0.26 0.82 -0.57 0.00 0.00 179.45 179.15 1j2q h ILE 61 N -0.90 0.51 -0.05 1.86 5.03 -1.11 0.05 117.51 122.90 1j2q h ILE 61 Ca -0.05 -0.11 -0.12 0.00 -0.12 0.00 0.00 64.86 64.46 1j2q h ILE 61 Cb 0.79 0.15 -0.01 0.00 -3.03 0.00 0.00 36.82 34.72 1j2q h ILE 61 CO -0.06 0.06 -0.52 -0.33 -0.68 0.00 0.00 178.15 176.62 1j2q h GLU 62 N 0.33 0.15 -0.08 2.37 5.08 -0.97 -1.34 114.58 120.12 1j2q h GLU 62 Ca 0.46 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1j2q h GLU 62 Cb 0.81 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1j2q h GLU 62 CO -0.51 0.63 -0.01 0.00 -1.00 0.00 0.00 179.01 178.12 1j2q h ALA 63 N 1.35 0.11 0.41 3.43 0.00 0.33 -2.05 119.26 122.85 1j2q h ALA 63 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1j2q h ALA 63 Cb 0.95 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1j2q h ALA 63 CO 0.07 -0.18 -0.44 -0.91 0.00 0.00 0.00 179.25 177.80 1j2q h ASN 64 N -0.17 -1.19 -0.88 0.00 2.35 -0.97 -2.18 115.58 112.53 1j2q h ASN 64 Ca 0.02 0.10 0.13 0.00 -0.55 0.00 0.00 56.30 56.01 1j2q h ASN 64 Cb 0.40 0.40 -0.07 0.00 0.05 0.00 0.00 38.32 39.10 1j2q h ASN 64 CO 0.01 -0.58 0.57 0.25 -1.65 0.00 0.00 177.43 176.02 1j2q h LEU 65 N -0.86 0.66 0.38 1.61 5.85 -1.30 0.68 115.31 122.33 1j2q h LEU 65 Ca -0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1j2q h LEU 65 Cb 0.77 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1j2q h LEU 65 CO -0.08 0.35 -0.28 0.22 -0.34 0.00 0.00 178.44 178.30 1j2q h TYR 66 N 0.71 -0.75 0.45 1.25 3.20 -0.77 -0.27 116.97 120.78 1j2q h TYR 66 Ca 0.43 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.28 1j2q h TYR 66 Cb 0.66 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1j2q h TYR 66 CO -0.00 -0.43 -0.21 1.49 -1.64 0.00 0.00 178.16 177.37 1j2q h GLU 67 N -0.66 -0.58 -0.98 1.82 4.81 -0.77 0.83 114.58 119.04 1j2q h GLU 67 Ca -0.03 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 1j2q h GLU 67 Cb 0.57 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.98 1j2q h GLU 67 CO 0.00 -0.35 0.61 0.82 -0.73 0.00 0.00 179.01 179.36 1j2q h ILE 68 N -0.66 0.72 0.15 2.32 5.03 -0.83 1.24 117.51 125.48 1j2q h ILE 68 Ca -0.06 -0.24 -0.22 0.00 -0.12 0.00 0.00 64.86 64.21 1j2q h ILE 68 Cb 0.49 -0.05 0.03 0.00 -3.03 0.00 0.00 36.82 34.26 1j2q h ILE 68 CO 0.10 0.13 -0.97 0.03 -0.68 0.00 0.00 178.15 176.76 1j2q h ARG 69 N 0.70 0.40 -0.03 2.37 3.08 -0.83 -3.36 114.38 116.71 1j2q h ARG 69 Ca 0.55 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1j2q h ARG 69 Cb 0.94 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1j2q h ARG 69 CO -0.32 1.28 0.00 0.54 -1.07 0.00 0.00 179.97 180.40 1j2q n ARG 70 N -4.02 2.24 -2.09 0.04 1.74 0.27 -4.95 116.66 109.88 1j2q n ARG 70 Ca -0.14 -1.80 -0.13 0.00 -0.77 0.00 0.00 57.85 55.01 1j2q n ARG 70 Cb 0.88 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.83 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 -1.88 -4.11 5.56 1.02 0.43 -4.93 120.64 117.92 1j2q n GLU 71 Ca 0.15 0.69 -0.15 0.00 -0.02 0.00 0.00 57.16 57.83 1j2q n GLU 71 Cb 0.57 -5.18 -0.12 0.00 -0.02 0.00 0.00 31.44 26.69 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 -4.41 0.59 0.30 3.49 0.52 -1.23 -5.04 118.95 113.17 1j2q s ARG 72 Ca 0.00 -0.74 -0.23 0.00 -0.52 0.00 0.00 55.73 54.24 1j2q s ARG 72 Cb 0.00 -0.43 -0.09 0.00 0.52 0.00 0.00 34.95 34.95 1j2q s ARG 72 CO 0.00 0.09 0.86 0.15 0.02 0.00 0.00 175.30 176.42 1j2q s LYS 73 N -1.44 4.41 0.28 3.54 1.02 -1.26 -3.58 119.74 122.71 1j2q s LYS 73 Ca -0.07 1.13 -0.29 0.00 0.02 0.00 0.00 55.97 56.76 1j2q s LYS 73 Cb -0.09 -2.75 -0.09 0.00 -0.52 0.00 0.00 37.83 34.38 1j2q s LYS 73 CO 0.01 0.28 1.02 -1.25 -0.92 0.00 0.00 175.35 174.48 1j2q s PRO 74 N -2.19 4.67 0.55 -1.68 0.04 -1.26 -4.98 135.00 130.15 1j2q s PRO 74 Ca 0.49 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 1j2q s PRO 74 Cb -0.17 -3.11 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 1j2q s PRO 74 CO 0.21 0.30 1.04 -0.08 0.04 0.00 0.00 177.00 178.51 1j2q s THR 75 N -1.27 3.90 0.33 1.26 -1.32 -1.26 -4.88 115.64 112.40 1j2q s THR 75 Ca 0.45 0.98 0.05 0.00 -1.21 0.00 0.00 61.69 61.96 1j2q s THR 75 Cb -0.27 -3.45 0.30 0.00 -1.51 0.00 0.00 72.50 67.57 1j2q s THR 75 CO 0.34 -0.45 1.90 -0.37 -2.21 0.00 0.00 174.62 173.83 1j2q h VAL 76 N 0.82 0.96 -0.66 5.08 -1.51 -1.95 0.00 116.25 118.99 1j2q h VAL 76 Ca -0.48 -0.29 0.07 0.00 -1.23 0.00 0.00 66.70 64.78 1j2q h VAL 76 Cb 1.21 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 30.35 1j2q h VAL 76 CO 0.58 0.15 0.34 -0.09 -1.23 0.00 0.00 177.57 177.33 1j2q h ARG 77 N 0.85 0.60 -0.27 5.19 2.43 -1.96 0.27 114.38 121.49 1j2q h ARG 77 Ca 0.41 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 1j2q h ARG 77 Cb 0.43 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1j2q h ARG 77 CO -0.17 0.40 0.12 0.00 -1.51 0.00 0.00 179.97 178.81 1j2q h ALA 78 N 1.38 0.35 -0.43 2.80 0.00 -1.38 0.59 119.26 122.56 1j2q h ALA 78 Ca 0.31 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1j2q h ALA 78 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1j2q h ALA 78 CO -0.22 -0.08 -0.06 0.82 0.00 0.00 0.00 179.25 179.71 1j2q h ILE 79 N 0.30 1.25 -0.47 0.00 1.08 -0.83 -0.88 117.51 117.96 1j2q h ILE 79 Ca 0.09 -1.07 -0.11 0.00 -0.39 0.00 0.00 64.86 63.38 1j2q h ILE 79 Cb 0.14 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1j2q h ILE 79 CO -0.01 0.37 -0.12 0.00 -0.69 0.00 0.00 178.15 177.70 1j2q h ALA 80 N 1.25 0.65 -0.32 1.87 0.00 -0.14 -0.26 119.26 122.30 1j2q h ALA 80 Ca 0.13 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1j2q h ALA 80 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1j2q h ALA 80 CO 0.03 0.55 -0.08 1.15 0.00 0.00 0.00 179.25 180.91 1j2q h THR 81 N 0.75 1.28 0.31 0.00 2.02 -0.77 0.63 112.91 117.13 1j2q h THR 81 Ca 0.12 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1j2q h THR 81 Cb 0.67 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1j2q h THR 81 CO 0.05 0.36 -0.36 0.25 0.37 0.00 0.00 175.52 176.19 1j2q h LEU 82 N 0.40 -0.98 -1.07 2.58 5.85 -1.05 -0.98 115.31 120.05 1j2q h LEU 82 Ca 0.08 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1j2q h LEU 82 Cb 0.57 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1j2q h LEU 82 CO 0.03 -0.49 0.63 0.74 -0.34 0.00 0.00 178.44 179.01 1j2q h THR 83 N -0.71 1.19 0.53 1.05 2.02 -0.97 -1.94 112.91 114.08 1j2q h THR 83 Ca -0.01 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1j2q h THR 83 Cb 0.66 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1j2q h THR 83 CO -0.09 0.22 -0.29 0.28 0.37 0.00 0.00 175.52 176.01 1j2q h SER 84 N 1.23 -0.70 -0.61 4.18 0.02 -0.52 -1.09 113.55 116.07 1j2q h SER 84 Ca 0.37 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.46 1j2q h SER 84 Cb -0.04 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.61 1j2q h SER 84 CO -0.10 -0.47 0.18 0.78 -1.14 0.00 0.00 176.83 176.07 1j2q h ASN 85 N -0.76 0.11 0.09 3.07 -0.26 -0.88 0.17 115.58 117.11 1j2q h ASN 85 Ca -0.07 0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1j2q h ASN 85 Cb 0.60 0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1j2q h ASN 85 CO 0.09 0.06 -0.04 0.25 -1.06 0.00 0.00 177.43 176.74 1j2q h LEU 86 N 0.33 -0.10 -0.37 1.61 5.85 -1.19 -0.41 115.31 121.02 1j2q h LEU 86 Ca 0.31 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.07 1j2q h LEU 86 Cb 0.44 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1j2q h LEU 86 CO -0.36 -0.05 0.11 -0.07 -0.34 0.00 0.00 178.44 177.72 1j2q h LEU 87 N -0.13 0.08 -1.25 2.25 -0.00 -0.59 -2.52 115.31 113.15 1j2q h LEU 87 Ca -0.01 0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 57.84 1j2q h LEU 87 Cb 0.10 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1j2q h LEU 87 CO 0.02 0.08 -0.37 -1.13 -0.00 0.00 0.00 178.44 177.04 1j2q h ASN 88 N 0.24 0.00 0.09 -0.43 -0.73 -0.40 -2.06 115.58 112.30 1j2q h ASN 88 Ca 0.18 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.33 1j2q h ASN 88 Cb 0.18 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.77 1j2q h ASN 88 CO -0.20 0.37 -0.06 0.77 -0.37 0.00 0.00 177.43 177.94 1j2q h SER 89 N 0.00 0.00 -0.72 1.15 4.64 -0.62 -0.74 113.55 117.25 1j2q h SER 89 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1j2q h SER 89 Cb 0.67 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.64 1j2q h SER 89 CO 0.05 0.06 0.26 -1.22 -0.87 0.00 0.00 176.83 175.11 1j2q n TYR 90 N -4.24 2.42 0.32 4.77 4.01 -0.78 -4.67 117.16 118.99 1j2q n TYR 90 Ca -0.03 -1.15 0.15 0.00 -0.16 0.00 0.00 57.90 56.71 1j2q n TYR 90 Cb 0.15 -0.68 0.81 0.00 -0.31 0.00 0.00 39.34 39.31 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 2.71 0.00 -0.19 -0.72 0.11 -1.09 0.12 114.38 115.31 1j2q h ARG 91 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 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 0.72 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.45 1j2q n TYR 92 N -2.81 0.23 -2.70 4.08 4.01 -1.26 -4.17 117.16 114.54 1j2q n TYR 92 Ca -0.02 -0.12 -0.07 0.00 -0.16 0.00 0.00 57.90 57.53 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 0.94 -2.16 -1.27 -0.72 3.01 -0.52 -5.16 117.46 111.58 1j2q n PHE 93 Ca 0.17 -1.73 -0.35 0.00 1.01 0.00 0.00 57.45 56.55 1j2q n PHE 93 Cb 0.49 1.52 0.10 0.00 -0.01 0.00 0.00 39.48 41.58 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 0.02 0.39 -2.67 -1.08 -0.04 0.31 -4.94 135.00 126.98 1j2q n PRO 94 Ca -0.01 0.19 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 1j2q n PRO 94 Cb 0.75 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.92 2.87 -0.92 0.54 1.51 -1.26 -4.93 117.35 113.24 1j2q s TYR 95 Ca 0.72 0.63 -0.25 0.00 -1.01 0.00 0.00 57.07 57.17 1j2q s TYR 95 Cb -0.32 -4.25 -0.10 0.00 -0.11 0.00 0.00 41.96 37.18 1j2q s TYR 95 CO 0.51 -1.19 2.10 -0.51 -1.11 0.00 0.00 175.55 175.36 1j2q s LEU 96 N 4.19 2.98 -0.15 -1.29 1.02 -1.26 -4.43 118.68 119.75 1j2q s LEU 96 Ca 0.44 -0.60 -0.19 0.00 0.02 0.00 0.00 54.13 53.80 1j2q s LEU 96 Cb -0.08 -2.56 0.05 0.00 0.02 0.00 0.00 46.19 43.61 1j2q s LEU 96 CO 0.29 -3.32 0.51 0.54 0.02 0.00 0.00 176.35 174.39 1j2q s VAL 97 N 12.30 0.01 -0.25 -1.59 0.11 -1.26 -0.13 120.40 129.58 1j2q s VAL 97 Ca 0.78 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.75 1j2q s VAL 97 Cb -0.08 -0.75 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1j2q s VAL 97 CO 0.05 -0.04 -0.08 -1.10 -3.33 0.00 0.00 175.10 170.61 1j2q s GLN 98 N -0.20 2.64 0.09 1.54 -1.52 0.25 -2.67 119.66 119.79 1j2q s GLN 98 Ca -0.04 -1.10 0.04 0.00 -1.95 0.00 0.00 55.36 52.31 1j2q s GLN 98 Cb -0.03 -2.96 -0.04 0.00 -0.22 0.00 0.00 33.01 29.76 1j2q s GLN 98 CO 0.03 -0.46 0.04 -0.51 -0.25 0.00 0.00 175.29 174.13 1j2q s LEU 99 N 1.26 3.60 -0.19 2.90 1.43 0.49 -1.45 118.68 126.71 1j2q s LEU 99 Ca -0.02 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1j2q s LEU 99 Cb -0.18 -2.31 0.04 0.00 0.03 0.00 0.00 46.19 43.78 1j2q s LEU 99 CO -0.05 0.16 -0.08 -0.22 0.23 0.00 0.00 176.35 176.39 1j2q s LEU 100 N -2.41 2.09 -0.15 1.79 2.96 -0.66 0.41 118.68 122.71 1j2q s LEU 100 Ca 0.27 -0.84 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 1j2q s LEU 100 Cb -0.12 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.47 1j2q s LEU 100 CO 0.20 -0.17 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.29 1j2q s ILE 101 N 1.47 1.61 0.29 6.68 1.01 -0.16 -0.41 121.20 131.69 1j2q s ILE 101 Ca -0.01 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 1j2q s ILE 101 Cb -0.16 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 40.84 1j2q s ILE 101 CO -0.08 0.46 0.79 -0.83 0.00 0.00 0.00 174.94 175.28 1j2q s GLY 102 N 1.47 0.03 0.00 6.18 0.00 -0.51 -0.19 107.32 114.31 1j2q s GLY 102 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1j2q s GLY 102 CO -0.11 -0.00 0.00 0.61 0.00 0.00 0.00 173.10 173.60 1j2q n GLY 103 N -0.50 -0.49 3.36 0.20 0.00 -0.80 0.10 105.19 107.06 1j2q n GLY 103 Ca -0.05 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.52 2.35 0.32 -0.61 1.01 0.11 -2.40 121.20 118.45 1j2q s ILE 104 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 1j2q s ILE 104 Cb 0.00 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1j2q s ILE 104 CO 0.00 0.58 0.55 1.51 0.00 0.00 0.00 174.94 177.58 1j2q s ASP 105 N -0.65 0.34 0.58 3.58 3.84 0.57 -4.68 116.67 120.24 1j2q s ASP 105 Ca 0.10 -1.19 0.32 0.00 -0.00 0.00 0.00 52.55 51.78 1j2q s ASP 105 Cb -0.10 0.68 1.35 0.00 -1.38 0.00 0.00 42.92 43.46 1j2q s ASP 105 CO -0.01 -1.32 1.66 0.77 -0.00 0.00 0.00 175.17 176.27 1j2q h SER 106 N 2.14 0.00 1.38 2.11 4.64 -1.96 0.79 113.55 122.64 1j2q h SER 106 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 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 0.37 0.00 -0.34 -0.33 -0.87 0.00 0.00 176.83 175.67 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 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1j2q h GLU 106 Cb 2.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.49 1j2q h GLU 106 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1j2q n GLY 107 N 1.24 0.39 3.30 -3.84 0.00 0.27 -5.06 105.19 101.50 1j2q n GLY 107 Ca 0.04 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.43 2.33 -0.05 1.61 1.02 -1.26 -0.32 119.74 121.64 1j2q s LYS 108 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 55.97 54.78 1j2q s LYS 108 Cb 0.00 -2.12 0.11 0.00 -0.52 0.00 0.00 37.83 35.30 1j2q s LYS 108 CO 0.00 0.49 0.97 -1.54 -0.92 0.00 0.00 175.35 174.34 1j2q s SER 109 N -0.42 -0.31 0.01 2.83 1.04 -1.01 -5.04 113.70 110.81 1j2q s SER 109 Ca 0.04 -0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1j2q s SER 109 Cb -0.12 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1j2q s SER 109 CO 0.01 -0.53 -0.08 -0.63 0.98 0.00 0.00 173.24 173.00 1j2q s ILE 110 N -2.95 0.58 -0.07 -1.02 1.01 -1.22 -1.91 121.20 115.63 1j2q s ILE 110 Ca 0.06 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1j2q s ILE 110 Cb -0.01 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.93 1j2q s ILE 110 CO -0.08 0.01 -0.20 -0.31 0.00 0.00 0.00 174.94 174.37 1j2q s TYR 111 N -0.50 2.06 -0.28 3.97 1.51 0.74 0.11 117.35 124.96 1j2q s TYR 111 Ca -0.00 -0.74 -0.09 0.00 -1.01 0.00 0.00 57.07 55.22 1j2q s TYR 111 Cb -0.05 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 1j2q s TYR 111 CO 0.00 -0.30 0.13 0.45 -1.11 0.00 0.00 175.55 174.72 1j2q s SER 112 N 0.29 5.49 -0.08 2.29 0.15 -0.47 -0.98 113.70 120.39 1j2q s SER 112 Ca -0.12 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.24 1j2q s SER 112 Cb -0.15 -2.00 -0.01 0.00 -1.71 0.00 0.00 66.02 62.15 1j2q s SER 112 CO 0.05 -0.11 -0.19 -0.63 1.20 0.00 0.00 173.24 173.56 1j2q s ILE 113 N 1.64 2.56 0.51 6.45 1.01 0.16 -1.23 121.20 132.30 1j2q s ILE 113 Ca 0.06 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1j2q s ILE 113 Cb -0.16 -2.00 0.05 0.00 0.01 0.00 0.00 42.46 40.36 1j2q s ILE 113 CO 0.06 0.56 0.69 1.51 0.00 0.00 0.00 174.94 177.77 1j2q s ASP 114 N -0.06 5.35 0.37 3.58 3.84 -0.71 -0.38 116.67 128.66 1j2q s ASP 114 Ca -0.05 -0.56 0.19 0.00 -0.00 0.00 0.00 52.55 52.13 1j2q s ASP 114 Cb -0.14 -0.26 1.17 0.00 -1.38 0.00 0.00 42.92 42.30 1j2q s ASP 114 CO 0.04 -1.07 1.67 -0.65 -0.00 0.00 0.00 175.17 175.17 1j2q h PRO 115 N 0.36 0.28 -0.20 2.11 0.11 -1.72 0.20 132.00 133.14 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 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1j2q h PRO 115 CO 0.44 0.18 0.00 -0.89 -0.21 0.00 0.00 178.00 177.52 1j2q n ILE 116 N -4.89 0.26 -1.54 4.15 -0.00 -1.26 -4.39 119.36 111.69 1j2q n ILE 116 Ca 0.32 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1j2q n ILE 116 Cb 1.07 0.23 0.00 0.00 -0.00 0.00 0.00 39.64 40.93 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 1.03 0.41 3.59 7.39 0.00 0.71 -3.53 105.19 114.78 1j2q n GLY 117 Ca 0.13 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.97 1.62 -0.20 -0.02 0.00 -1.25 -4.74 107.32 99.75 1j2q s GLY 118 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 44.72 44.06 1j2q s GLY 118 CO 0.00 1.83 -0.09 0.00 0.00 0.00 0.00 173.10 174.85 1j2q s ALA 119 N 3.23 2.69 0.00 3.20 0.00 -1.26 -1.74 121.76 127.88 1j2q s ALA 119 Ca 0.33 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1j2q s ALA 119 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1j2q s ALA 119 CO 0.18 -0.33 0.00 -0.89 0.00 0.00 0.00 175.76 174.72 1j2q n ILE 120 N 4.60 0.00 -3.24 0.00 -0.00 -0.37 -4.92 119.36 115.43 1j2q n ILE 120 Ca -0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.54 1j2q n ILE 120 Cb 0.51 0.00 -0.04 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 4.83 0.47 0.00 0.38 8.01 0.12 -1.36 118.70 131.14 1j2q s GLU 121 Ca 0.00 0.73 0.19 0.00 0.01 0.00 0.00 54.97 55.90 1j2q s GLU 121 Cb 0.00 0.08 0.66 0.00 -4.31 0.00 0.00 34.13 30.56 1j2q s GLU 121 CO 0.00 -0.69 1.49 1.63 0.01 0.00 0.00 175.26 177.70 1j2q n LYS 121 N 5.40 1.79 0.06 1.61 5.02 -1.26 -3.38 118.16 127.39 1j2q n LYS 121 Ca -0.01 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.09 1j2q n LYS 121 Cb 0.51 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.42 -1.04 -4.34 4.39 5.68 -1.26 -4.80 116.55 115.60 1j2q n ASP 122 Ca 0.16 0.28 -0.26 0.00 -0.50 0.00 0.00 54.79 54.46 1j2q n ASP 122 Cb 0.34 1.23 -0.13 0.00 -1.14 0.00 0.00 41.12 41.43 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 2.00 -0.28 2.12 -1.09 -1.26 -1.03 121.20 120.31 1j2q s ILE 123 Ca 0.00 -1.67 -0.25 0.00 -2.23 0.00 0.00 60.65 56.51 1j2q s ILE 123 Cb 0.00 -1.79 0.12 0.00 -1.58 0.00 0.00 42.46 39.21 1j2q s ILE 123 CO 0.00 0.01 1.02 0.54 -1.23 0.00 0.00 174.94 175.28 1j2q s VAL 124 N -1.13 0.00 0.12 2.92 0.11 -0.65 -4.93 120.40 116.83 1j2q s VAL 124 Ca 0.11 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.19 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 -0.09 0.00 -3.33 0.00 0.00 175.10 171.73 1j2q s ALA 125 N 0.25 1.19 0.03 1.54 0.00 -1.26 -0.52 121.76 122.99 1j2q s ALA 125 Ca 0.03 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 50.48 1j2q s ALA 125 Cb -0.05 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1j2q s ALA 125 CO -0.06 -0.13 0.32 0.99 0.00 0.00 0.00 175.76 176.87 1j2q s THR 127 N -3.22 0.07 0.00 0.00 2.01 0.17 -4.90 115.64 109.77 1j2q s THR 127 Ca 0.12 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1j2q s THR 127 Cb 0.02 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1j2q s THR 127 CO -0.02 -0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.19 1j2q n GLY 128 N 0.73 0.96 0.34 4.40 0.00 -1.26 -0.41 105.19 109.94 1j2q n GLY 128 Ca -0.19 -2.01 0.19 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.01 1.61 4.64 -1.21 -1.03 113.55 117.55 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 -0.75 0.61 -0.87 0.00 0.00 176.83 175.82 1j2q n GLY 130 N -1.17 -0.52 0.32 -0.77 0.00 -0.21 -4.65 105.19 98.19 1j2q n GLY 130 Ca -0.02 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 0.94 -0.41 -0.54 1.61 4.64 -1.29 -0.59 113.55 117.90 1j2q h SER 131 Ca 0.00 0.25 0.05 0.00 -0.47 0.00 0.00 61.79 61.62 1j2q h SER 131 Cb 0.57 0.44 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1j2q h SER 131 CO 0.00 -0.29 0.36 -0.07 -0.87 0.00 0.00 176.83 175.96 1j2q h LEU 132 N 0.05 0.48 0.02 5.97 3.38 -1.82 0.43 115.31 123.82 1j2q h LEU 132 Ca 0.55 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.37 1j2q h LEU 132 Cb 1.09 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1j2q h LEU 132 CO -0.84 0.33 -0.57 0.74 0.09 0.00 0.00 178.44 178.19 1j2q h THR 133 N 0.56 1.46 -0.88 0.22 2.02 -1.47 -3.13 112.91 111.70 1j2q h THR 133 Ca 0.23 -2.12 0.06 0.00 0.77 0.00 0.00 66.41 65.35 1j2q h THR 133 Cb 0.20 2.71 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 1j2q h THR 133 CO -0.06 0.61 0.55 0.00 0.37 0.00 0.00 175.52 176.98 1j2q h ALA 134 N 0.27 1.21 -0.38 6.16 0.00 -0.79 0.41 119.26 126.14 1j2q h ALA 134 Ca -0.08 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1j2q h ALA 134 Cb 1.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1j2q h ALA 134 CO 0.11 0.30 0.26 1.88 0.00 0.00 0.00 179.25 181.80 1j2q h TYR 135 N 1.00 0.20 0.29 0.00 -1.99 -0.19 -1.52 116.97 114.75 1j2q h TYR 135 Ca 0.38 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.11 1j2q h TYR 135 Cb 0.17 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.81 1j2q h TYR 135 CO -0.03 0.10 -0.42 0.78 -0.00 0.00 0.00 178.16 178.59 1j2q h GLY 136 N 0.19 -1.17 1.16 3.88 0.00 -0.85 0.83 103.07 107.12 1j2q h GLY 136 Ca 0.17 0.57 -0.12 0.00 0.00 0.00 0.00 47.33 47.95 1j2q h GLY 136 CO -0.03 -0.34 -0.19 -0.39 0.00 0.00 0.00 176.54 175.59 1j2q h VAL 137 N -0.75 1.27 -0.31 4.60 -1.51 -1.55 -2.68 116.25 115.32 1j2q h VAL 137 Ca -0.03 -1.35 0.05 0.00 -1.23 0.00 0.00 66.70 64.14 1j2q h VAL 137 Cb 0.68 1.10 -0.05 0.00 -2.13 0.00 0.00 31.29 30.89 1j2q h VAL 137 CO -0.12 0.46 0.01 -0.07 -1.23 0.00 0.00 177.57 176.62 1j2q h LEU 138 N 0.83 -0.10 -0.26 4.19 3.38 -1.10 0.25 115.31 122.50 1j2q h LEU 138 Ca 0.11 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1j2q h LEU 138 Cb 0.76 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1j2q h LEU 138 CO 0.06 -0.02 0.00 1.21 0.09 0.00 0.00 178.44 179.78 1j2q n GLU 139 N -5.15 0.11 -0.08 1.13 2.13 0.27 -1.86 120.64 117.18 1j2q n GLU 139 Ca 0.00 0.28 -0.11 0.00 0.66 0.00 0.00 57.16 57.99 1j2q n GLU 139 Cb 0.16 -1.68 -0.07 0.00 0.27 0.00 0.00 31.44 30.12 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 0.00 4.31 -0.00 -0.67 -3.40 116.42 116.66 1j2q h ASP 140 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 57.03 56.63 1j2q h ASP 140 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.72 1j2q h ASP 140 CO 0.00 1.00 -0.06 0.54 -0.00 0.00 0.00 179.24 180.72 1j2q n ARG 141 N -4.59 1.79 -2.96 0.28 1.74 -0.25 -4.97 116.66 107.70 1j2q n ARG 141 Ca -0.14 -1.27 -0.37 0.00 -0.77 0.00 0.00 57.85 55.30 1j2q n ARG 141 Cb 0.40 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.08 3.71 -0.03 -1.55 5.36 -0.78 -5.06 117.98 117.55 1j2q s PHE 142 Ca 0.32 1.58 -0.03 0.00 -0.96 0.00 0.00 56.93 57.83 1j2q s PHE 142 Cb 0.20 -2.76 0.01 0.00 -0.34 0.00 0.00 43.02 40.13 1j2q s PHE 142 CO 0.36 0.32 0.09 0.95 -1.46 0.00 0.00 175.22 175.48 1j2q s THR 143 N -1.50 0.01 0.55 0.12 -4.23 -1.26 -5.00 115.64 104.33 1j2q s THR 143 Ca 0.44 -0.08 0.26 0.00 -1.18 0.00 0.00 61.69 61.14 1j2q s THR 143 Cb -0.18 -0.16 0.38 0.00 1.34 0.00 0.00 72.50 73.87 1j2q s THR 143 CO 0.23 -0.04 2.02 1.55 -0.54 0.00 0.00 174.62 177.84 1j2q h PRO 144 N 5.84 0.00 0.00 3.99 0.13 -1.97 0.06 132.00 140.05 1j2q h PRO 144 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 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 0.45 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 1j2q n GLU 145 N -4.13 0.42 -1.63 0.86 4.71 -1.26 -3.77 120.64 115.84 1j2q n GLU 145 Ca 0.07 0.02 -0.41 0.00 -0.01 0.00 0.00 57.16 56.82 1j2q n GLU 145 Cb 0.51 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.45 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 -1.27 2.45 -3.97 -3.67 3.06 0.00 -4.65 119.36 111.32 1j2q n ILE 146 Ca 0.14 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.58 1j2q n ILE 146 Cb 0.22 -1.25 -0.05 0.00 0.54 0.00 0.00 39.64 39.09 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 -0.68 2.12 0.41 4.50 0.00 -1.26 -2.25 107.32 110.16 1j2q s GLY 147 Ca 0.62 -0.91 0.23 0.00 0.00 0.00 0.00 44.72 44.67 1j2q s GLY 147 CO 0.57 -0.89 1.69 -0.39 0.00 0.00 0.00 173.10 174.09 1j2q h VAL 148 N 2.25 0.31 -0.59 1.40 -1.51 -1.92 0.42 116.25 116.62 1j2q h VAL 148 Ca -0.46 -0.08 -0.07 0.00 -1.23 0.00 0.00 66.70 64.86 1j2q h VAL 148 Cb 1.16 0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 1j2q h VAL 148 CO 0.72 0.04 0.08 0.44 -1.23 0.00 0.00 177.57 177.63 1j2q h ASP 149 N 0.24 0.93 0.83 4.19 3.45 -1.96 -1.27 116.42 122.82 1j2q h ASP 149 Ca 0.71 -0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.96 1j2q h ASP 149 Cb 2.01 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 40.53 1j2q h ASP 149 CO -0.39 0.94 -0.79 1.05 -1.57 0.00 0.00 179.24 178.48 1j2q h GLU 150 N 0.91 0.00 -0.20 3.56 4.11 -1.61 -3.30 114.58 118.05 1j2q h GLU 150 Ca 0.18 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.48 1j2q h GLU 150 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1j2q h GLU 150 CO 0.01 0.00 -0.42 0.00 0.07 0.00 0.00 179.01 178.67 1j2q h ALA 151 N 2.38 0.89 -0.08 1.06 0.00 -0.47 -0.43 119.26 122.62 1j2q h ALA 151 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1j2q h ALA 151 Cb 0.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1j2q h ALA 151 CO 0.00 0.64 -0.47 -0.39 0.00 0.00 0.00 179.25 179.03 1j2q h VAL 152 N 0.40 1.33 -0.07 0.00 -1.51 -1.32 0.96 116.25 116.04 1j2q h VAL 152 Ca 0.03 -1.65 -0.01 0.00 -1.23 0.00 0.00 66.70 63.84 1j2q h VAL 152 Cb 0.90 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1j2q h VAL 152 CO 0.08 0.49 -0.00 -0.08 -1.23 0.00 0.00 177.57 176.83 1j2q h GLU 153 N 0.16 0.13 -0.57 5.19 4.81 -1.55 -1.12 114.58 121.63 1j2q h GLU 153 Ca 0.01 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1j2q h GLU 153 Cb 0.89 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.19 1j2q h GLU 153 CO 0.07 0.40 0.19 1.25 -0.73 0.00 0.00 179.01 180.19 1j2q h LEU 154 N -0.16 0.17 0.14 1.64 5.85 -0.76 0.20 115.31 122.39 1j2q h LEU 154 Ca 0.02 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1j2q h LEU 154 Cb 0.34 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1j2q h LEU 154 CO 0.00 0.11 -0.16 0.00 -0.34 0.00 0.00 178.44 178.06 1j2q h ALA 155 N 1.40 -0.29 -0.76 1.25 0.00 -0.60 0.13 119.26 120.38 1j2q h ALA 155 Ca 0.28 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1j2q h ALA 155 Cb 0.35 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1j2q h ALA 155 CO -0.30 -0.69 0.50 0.28 0.00 0.00 0.00 179.25 179.04 1j2q h VAL 156 N -0.33 1.06 0.30 0.00 2.07 -0.40 -1.46 116.25 117.50 1j2q h VAL 156 Ca 0.01 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1j2q h VAL 156 Cb 0.32 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1j2q h VAL 156 CO -0.05 0.16 -0.15 -0.09 0.02 0.00 0.00 177.57 177.46 1j2q h ARG 157 N 0.85 -0.39 -0.09 1.57 2.43 0.39 -0.84 114.38 118.29 1j2q h ARG 157 Ca 0.32 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1j2q h ARG 157 Cb 0.18 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1j2q h ARG 157 CO -0.10 -0.23 0.05 0.00 -1.51 0.00 0.00 179.97 178.17 1j2q h ALA 158 N 0.24 0.12 0.00 2.80 0.00 -0.14 -2.09 119.26 120.19 1j2q h ALA 158 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1j2q h ALA 158 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1j2q h ALA 158 CO 0.07 -0.34 0.00 0.82 0.00 0.00 0.00 179.25 179.80 1j2q h ILE 159 N 0.06 0.00 0.00 0.00 2.04 -1.27 -1.55 117.51 116.79 1j2q h ILE 159 Ca 0.03 -0.28 -0.27 0.00 1.00 0.00 0.00 64.86 65.35 1j2q h ILE 159 Cb 0.08 1.24 0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1j2q h ILE 159 CO -0.01 0.00 -1.05 0.22 0.00 0.00 0.00 178.15 177.32 1j2q h TYR 160 N 0.00 1.05 -0.45 1.37 3.20 -0.50 -2.50 116.97 119.14 1j2q h TYR 160 Ca 0.00 -0.57 -0.05 0.00 3.14 0.00 0.00 58.73 61.25 1j2q h TYR 160 Cb 0.29 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1j2q h TYR 160 CO 0.00 1.41 0.09 0.77 -1.64 0.00 0.00 178.16 178.79 1j2q h SER 161 N 0.39 0.69 -0.83 -2.11 0.02 -0.78 -2.99 113.55 107.94 1j2q h SER 161 Ca -0.13 -0.24 0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1j2q h SER 161 Cb 1.70 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 64.00 1j2q h SER 161 CO 0.21 0.75 0.52 0.00 -1.14 0.00 0.00 176.83 177.17 1j2q h ALA 162 N 0.96 1.11 0.00 3.77 0.00 -1.32 -0.58 119.26 123.20 1j2q h ALA 162 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j2q h ALA 162 Cb 0.34 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j2q h ALA 162 CO 0.00 0.29 -0.00 0.52 0.00 0.00 0.00 179.25 180.06 1j2q h MET 163 N 0.97 0.00 0.00 0.00 2.07 -1.29 -0.95 114.93 115.73 1j2q h MET 163 Ca 0.35 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.98 1j2q h MET 163 Cb 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.83 1j2q h MET 163 CO -0.15 0.00 -0.07 1.63 1.07 0.00 0.00 176.91 179.40 1j2q n LYS 164 N -3.11 0.19 0.00 1.72 5.02 -0.23 -4.09 118.16 117.65 1j2q n LYS 164 Ca -0.02 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1j2q n LYS 164 Cb 0.15 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1j2q n LYS 164 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j2q n ARG 165 N -2.03 -0.15 -3.99 1.97 5.12 -0.71 -4.97 116.66 111.90 1j2q n ARG 165 Ca 0.06 -0.17 -0.31 0.00 -1.93 0.00 0.00 57.85 55.50 1j2q n ARG 165 Cb 0.40 -0.64 -0.15 0.00 -1.16 0.00 0.00 32.46 30.91 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 -0.03 4.44 0.37 0.55 3.68 -0.44 -4.97 116.67 120.27 1j2q s ASP 166 Ca 0.00 -1.71 0.26 0.00 2.13 0.00 0.00 52.55 53.23 1j2q s ASP 166 Cb 0.00 -1.45 1.29 0.00 -1.45 0.00 0.00 42.92 41.31 1j2q s ASP 166 CO 0.00 -0.30 1.80 0.77 0.13 0.00 0.00 175.17 177.56 1j2q h SER 167 N 7.76 0.00 0.42 -0.34 4.64 -1.87 -1.58 113.55 122.58 1j2q h SER 167 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 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 0.48 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 176.31 1j2q n ALA 168 N -1.84 2.78 -2.34 5.18 0.00 -1.26 -4.87 120.51 118.16 1j2q n ALA 168 Ca -0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 1j2q n ALA 168 Cb 0.13 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.55 4.70 0.00 0.00 0.01 -0.59 -0.40 113.70 114.87 1j2q s SER 169 Ca 0.26 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1j2q s SER 169 Cb 0.20 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1j2q s SER 169 CO 0.49 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1j2q n GLY 170 N -1.39 0.56 4.25 3.44 0.00 -1.26 -4.88 105.19 105.91 1j2q n GLY 170 Ca 0.01 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 0.27 0.00 0.00 1.61 10.43 -1.26 -2.29 116.55 125.31 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 -0.13 0.00 0.00 1.84 0.00 0.00 41.12 42.83 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 -1.74 -2.43 3.36 0.44 0.00 -1.26 -4.87 105.19 98.69 1j2q n GLY 172 Ca 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.13 -0.02 -0.00 -0.61 2.07 -1.26 -2.61 121.20 116.64 1j2q s ILE 173 Ca 0.00 0.06 -0.03 0.00 -1.41 0.00 0.00 60.65 59.27 1j2q s ILE 173 Cb 0.00 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 1j2q s ILE 173 CO 0.00 0.02 0.19 -1.81 -1.91 0.00 0.00 174.94 171.44 1j2q s ASP 174 N 1.22 6.38 0.04 4.50 -0.00 0.08 -4.91 116.67 123.97 1j2q s ASP 174 Ca -0.08 0.36 0.01 0.00 -0.00 0.00 0.00 52.55 52.84 1j2q s ASP 174 Cb -0.07 -2.01 -0.03 0.00 -0.00 0.00 0.00 42.92 40.82 1j2q s ASP 174 CO -0.11 0.25 -0.05 -0.69 -0.00 0.00 0.00 175.17 174.57 1j2q s VAL 175 N -1.34 0.28 -0.05 -1.27 1.01 -1.26 -1.70 120.40 116.07 1j2q s VAL 175 Ca 0.28 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1j2q s VAL 175 Cb -0.13 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1j2q s VAL 175 CO 0.19 -0.56 0.10 -0.69 0.00 0.00 0.00 175.10 174.14 1j2q s VAL 176 N -1.93 -0.03 -0.13 2.92 1.01 0.66 -3.04 120.40 119.85 1j2q s VAL 176 Ca -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1j2q s VAL 176 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1j2q s VAL 176 CO -0.02 0.05 -0.09 -0.75 0.00 0.00 0.00 175.10 174.29 1j2q s LYS 177 N 0.76 3.44 -0.36 2.72 2.20 0.44 -1.70 119.74 127.24 1j2q s LYS 177 Ca -0.06 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 54.97 1j2q s LYS 177 Cb -0.08 -2.74 0.11 0.00 -1.51 0.00 0.00 37.83 33.61 1j2q s LYS 177 CO -0.03 0.27 0.10 0.42 -0.36 0.00 0.00 175.35 175.75 1j2q s ILE 178 N 0.24 1.99 -0.23 5.43 1.01 0.45 -0.25 121.20 129.84 1j2q s ILE 178 Ca -0.06 -2.30 -0.17 0.00 0.00 0.00 0.00 60.65 58.12 1j2q s ILE 178 Cb -0.15 -2.46 -0.17 0.00 0.01 0.00 0.00 42.46 39.69 1j2q s ILE 178 CO 0.04 -0.66 0.00 1.07 0.00 0.00 0.00 174.94 175.39 1j2q n THR 179 N 4.17 1.55 0.00 2.92 5.66 -0.60 -0.89 114.28 127.09 1j2q n THR 179 Ca 0.03 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1j2q n THR 179 Cb 0.40 -1.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.25 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 -4.24 0.00 0.00 1.09 2.13 -1.26 -4.63 120.64 113.73 1j2q n GLU 180 Ca -0.41 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.56 1j2q n GLU 180 Cb 0.80 0.00 0.78 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 0.21 -3.62 4.31 9.92 -1.26 -4.90 116.55 121.21 1j2q n ASP 181 Ca 0.00 -0.65 -0.04 0.00 -0.53 0.00 0.00 54.79 53.57 1j2q n ASP 181 Cb 0.00 -0.11 -0.01 0.00 -0.64 0.00 0.00 41.12 40.35 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 -2.30 0.72 -0.35 -1.24 2.12 -1.26 -5.07 118.70 111.31 1j2q s GLU 182 Ca 0.36 -0.34 -0.00 0.00 0.36 0.00 0.00 54.97 55.35 1j2q s GLU 182 Cb 0.21 0.28 0.12 0.00 0.26 0.00 0.00 34.13 35.00 1j2q s GLU 182 CO 0.42 -0.32 0.17 0.12 -0.54 0.00 0.00 175.26 175.11 1j2q s PHE 183 N -2.86 1.30 -0.06 5.30 5.36 -1.26 -1.56 117.98 124.21 1j2q s PHE 183 Ca 0.10 -1.74 -0.02 0.00 -0.96 0.00 0.00 56.93 54.32 1j2q s PHE 183 Cb 0.00 -1.43 -0.04 0.00 -0.34 0.00 0.00 43.02 41.22 1j2q s PHE 183 CO -0.04 -0.83 0.04 -0.47 -1.46 0.00 0.00 175.22 172.45 1j2q s TYR 184 N 1.25 3.23 -0.22 10.12 6.04 0.66 -4.95 117.35 133.48 1j2q s TYR 184 Ca 0.14 0.22 0.01 0.00 0.04 0.00 0.00 57.07 57.48 1j2q s TYR 184 Cb -0.20 -1.78 0.05 0.00 -1.04 0.00 0.00 41.96 38.99 1j2q s TYR 184 CO -0.14 0.52 -0.10 -1.14 -1.54 0.00 0.00 175.55 173.15 1j2q s GLN 185 N -1.20 2.08 0.52 4.97 0.74 -1.26 -0.42 119.66 125.08 1j2q s GLN 185 Ca 0.17 -1.00 0.24 0.00 0.05 0.00 0.00 55.36 54.81 1j2q s GLN 185 Cb -0.12 -2.58 1.29 0.00 1.10 0.00 0.00 33.01 32.70 1j2q s GLN 185 CO 0.06 -0.48 1.69 1.88 -0.55 0.00 0.00 175.29 177.89 1j2q h TYR 186 N 7.92 0.00 -2.81 1.67 -1.99 -1.96 -3.49 116.97 116.31 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 0.54 0.00 -0.69 0.43 -0.00 0.00 0.00 178.16 178.44 1j2q n SER 187 N -2.55 -6.79 -0.68 3.88 7.64 -1.26 -3.65 113.62 110.21 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 -3.38 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 -0.84 0.00 0.00 1.43 -0.04 -1.26 -2.37 135.00 131.91 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 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.14 0.00 -0.04 0.54 1.02 -1.24 0.21 120.64 121.26 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 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 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 1.38 -0.45 2.62 2.07 -1.65 -1.89 116.25 118.34 1j2q h VAL 189 Ca 0.00 -1.37 0.13 0.00 0.82 0.00 0.00 66.70 66.28 1j2q h VAL 189 Cb 0.00 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1j2q h VAL 189 CO 0.00 0.39 0.38 -0.08 0.02 0.00 0.00 177.57 178.28 1j2q h GLU 190 N -0.18 0.00 0.00 1.57 4.57 -0.51 0.32 114.58 120.35 1j2q h GLU 190 Ca 0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1j2q h GLU 190 Cb 0.69 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1j2q h GLU 190 CO 0.03 0.00 -0.83 0.37 -1.18 0.00 0.00 179.01 177.40 1j2q h GLN 191 N 0.00 0.00 0.14 1.92 4.15 -1.74 -2.99 115.11 116.60 1j2q h GLN 191 Ca 0.21 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.33 1j2q h GLN 191 Cb 0.97 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.66 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 1.26 -0.00 2.39 2.04 0.40 -3.20 117.51 120.39 1j2q h ILE 192 Ca -0.02 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 62.98 1j2q h ILE 192 Cb 1.10 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 1j2q h ILE 192 CO 0.01 0.84 -0.10 0.00 0.00 0.00 0.00 178.15 178.90 1j2q n LEU 193 N -3.51 0.55 0.20 1.44 -0.00 -0.33 -3.25 117.00 112.10 1j2q n LEU 193 Ca -0.14 -0.05 0.06 0.00 -0.00 0.00 0.00 56.01 55.88 1j2q n LEU 193 Cb 1.05 -0.15 0.42 0.00 -0.00 0.00 0.00 43.42 44.73 1j2q n LEU 193 CO 0.53 0.10 0.74 0.00 -0.00 0.00 0.00 177.39 178.76 1j2q h ALA 194 N 3.71 1.13 -0.02 1.47 0.00 -1.35 -1.97 119.26 122.23 1j2q h ALA 194 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1j2q h ALA 194 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1j2q h ALA 194 CO 0.00 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.29 1j2q n LYS 195 N -3.67 1.07 0.00 0.00 5.02 -1.20 -4.29 118.16 115.09 1j2q n LYS 195 Ca -0.01 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1j2q n LYS 195 Cb 0.44 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.21 0.00 -0.65 2.13 0.99 -0.75 -5.07 117.46 113.90 1j2q n PHE 196 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1j2q n PHE 196 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.63 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 -0.94 0.13 0.00 -1.08 3.00 -1.19 -5.17 116.66 111.41 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 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.45 1j2q n ARG 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26