#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8h s ALA 2 N 0.00 2.17 0.52 3.04 0.00 -1.26 -0.44 121.76 125.79 2j8h s ALA 2 Ca 0.00 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.65 2j8h s ALA 2 Cb 0.00 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 2j8h s ALA 2 CO 0.00 -1.80 1.26 -2.14 0.00 0.00 0.00 175.76 173.08 2j8h s PRO 3 N -3.84 3.33 -0.03 0.00 0.02 -1.26 -4.46 135.00 128.77 2j8h s PRO 3 Ca 0.75 1.99 -0.08 0.00 0.02 0.00 0.00 61.00 63.69 2j8h s PRO 3 Cb -0.30 -2.25 0.01 0.00 0.02 0.00 0.00 34.50 31.98 2j8h s PRO 3 CO 0.44 -0.96 0.17 -1.58 -0.33 0.00 0.00 177.00 174.74 2j8h s HIS 4 N -1.44 -0.07 -0.63 6.54 2.46 -0.49 -4.83 115.29 116.82 2j8h s HIS 4 Ca 0.70 0.14 -0.21 0.00 0.47 0.00 0.00 55.06 56.16 2j8h s HIS 4 Cb -0.34 0.01 0.09 0.00 -0.13 0.00 0.00 32.58 32.20 2j8h s HIS 4 CO 0.40 -0.23 0.84 -0.06 -2.47 0.00 0.00 174.74 173.23 2j8h s PHE 5 N -0.82 2.84 0.20 3.88 0.40 -1.26 -0.80 117.98 122.42 2j8h s PHE 5 Ca -0.09 -0.77 -0.06 0.00 -0.60 0.00 0.00 56.93 55.41 2j8h s PHE 5 Cb -0.05 -4.16 0.15 0.00 0.51 0.00 0.00 43.02 39.47 2j8h s PHE 5 CO 0.01 -1.48 1.62 -0.22 0.70 0.00 0.00 175.22 175.86 2j8h h LYS 6 N 9.37 0.85 -4.39 0.44 1.63 -0.92 -3.39 116.57 120.16 2j8h h LYS 6 Ca -0.28 -0.33 -0.60 0.00 -0.85 0.00 0.00 60.65 58.59 2j8h h LYS 6 Cb 1.08 -0.04 -0.37 0.00 -0.60 0.00 0.00 32.23 32.29 2j8h h LYS 6 CO 1.14 0.97 -0.80 -1.21 -3.45 0.00 0.00 179.45 176.10 2j8h s GLU 7 N -4.68 1.75 0.60 1.90 2.02 -0.86 -4.94 118.70 114.49 2j8h s GLU 7 Ca -0.10 -0.78 -0.13 0.00 0.02 0.00 0.00 54.97 53.98 2j8h s GLU 7 Cb 0.13 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 2j8h s GLU 7 CO 0.84 -0.47 1.02 -1.21 0.02 0.00 0.00 175.26 175.47 2j8h s GLU 8 N 1.47 3.61 0.41 1.61 2.02 -1.26 -1.12 118.70 125.43 2j8h s GLU 8 Ca -0.02 0.84 -0.27 0.00 0.02 0.00 0.00 54.97 55.55 2j8h s GLU 8 Cb -0.17 -2.08 -0.10 0.00 0.10 0.00 0.00 34.13 31.88 2j8h s GLU 8 CO -0.08 -0.56 1.43 1.28 0.02 0.00 0.00 175.26 177.35 2j8h n LEU 9 N -2.46 4.77 -4.78 1.80 4.77 -1.26 -4.79 117.00 115.05 2j8h n LEU 9 Ca 0.06 1.17 -0.36 0.00 -0.03 0.00 0.00 56.01 56.85 2j8h n LEU 9 Cb 0.54 -1.59 -0.08 0.00 -2.33 0.00 0.00 43.42 39.96 2j8h n LEU 9 CO 0.54 -0.11 -0.23 -0.13 -1.33 0.00 0.00 177.39 176.14 2j8h s ARG 10 N -2.25 3.36 0.36 3.23 0.52 -1.26 -4.80 118.95 118.11 2j8h s ARG 10 Ca 0.58 -0.25 -0.28 0.00 -0.52 0.00 0.00 55.73 55.25 2j8h s ARG 10 Cb -0.47 -3.06 -0.12 0.00 0.52 0.00 0.00 34.95 31.82 2j8h s ARG 10 CO 0.60 0.69 1.37 0.09 0.02 0.00 0.00 175.30 178.07 2j8h n ASN 11 N 2.24 3.20 -4.28 0.23 3.02 -1.26 -4.72 115.26 113.69 2j8h n ASN 11 Ca -0.19 1.21 -0.26 0.00 -0.03 0.00 0.00 54.58 55.31 2j8h n ASN 11 Cb 0.54 -1.54 -0.14 0.00 -0.61 0.00 0.00 39.78 38.03 2j8h n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2j8h s LEU 12 N -1.48 2.20 -0.21 3.41 1.43 0.10 -4.96 118.68 119.17 2j8h s LEU 12 Ca 0.55 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2j8h s LEU 12 Cb -0.53 -1.03 0.05 0.00 0.03 0.00 0.00 46.19 44.71 2j8h s LEU 12 CO 0.63 0.16 -0.07 0.20 0.23 0.00 0.00 176.35 177.50 2j8h s ASN 13 N -1.37 3.47 -0.01 2.29 -0.87 -1.26 -1.05 114.94 116.15 2j8h s ASN 13 Ca 0.09 -0.97 0.06 0.00 -1.57 0.00 0.00 52.86 50.47 2j8h s ASN 13 Cb -0.09 -1.13 -0.02 0.00 -0.02 0.00 0.00 41.25 39.99 2j8h s ASN 13 CO 0.03 -0.20 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.47 2j8h s VAL 14 N 1.46 1.60 0.29 1.60 1.01 -0.62 -4.95 120.40 120.79 2j8h s VAL 14 Ca -0.03 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 2j8h s VAL 14 Cb -0.17 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 34.77 2j8h s VAL 14 CO -0.07 0.42 1.27 -0.60 0.00 0.00 0.00 175.10 176.12 2j8h s ARG 15 N -0.56 4.42 0.11 2.72 6.06 -1.26 -0.59 118.95 129.85 2j8h s ARG 15 Ca 0.08 2.10 -0.34 0.00 -2.50 0.00 0.00 55.73 55.08 2j8h s ARG 15 Cb -0.08 -3.12 -0.18 0.00 0.06 0.00 0.00 34.95 31.63 2j8h s ARG 15 CO -0.00 -0.12 0.83 0.98 -2.50 0.00 0.00 175.30 174.48 2j8h n TYR 16 N 1.27 0.20 -0.61 5.12 9.36 0.17 -1.86 117.16 130.81 2j8h n TYR 16 Ca 0.01 0.97 0.00 0.00 3.32 0.00 0.00 57.90 62.21 2j8h n TYR 16 Cb 0.43 -2.05 0.00 0.00 -0.63 0.00 0.00 39.34 37.08 2j8h n TYR 16 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2j8h n GLN 17 N 1.29 0.00 -2.14 2.98 6.02 0.65 -4.89 117.38 121.29 2j8h n GLN 17 Ca 0.18 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.91 2j8h n GLN 17 Cb 0.18 -2.95 0.07 0.00 1.02 0.00 0.00 30.24 28.56 2j8h n GLN 17 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2j8h s SER 18 N -2.84 4.72 -0.01 1.08 0.01 -0.78 -4.21 113.70 111.67 2j8h s SER 18 Ca 0.00 0.52 -0.16 0.00 1.31 0.00 0.00 55.95 57.61 2j8h s SER 18 Cb 0.00 -1.12 -0.06 0.00 0.21 0.00 0.00 66.02 65.05 2j8h s SER 18 CO 0.00 -1.68 0.45 0.20 0.41 0.00 0.00 173.24 172.62 2j8h s ASN 19 N -4.54 6.83 -0.16 2.44 -0.87 -1.26 -0.08 114.94 117.29 2j8h s ASN 19 Ca 0.61 0.99 -0.07 0.00 -1.57 0.00 0.00 52.86 52.81 2j8h s ASN 19 Cb -0.11 -2.28 -0.04 0.00 -0.02 0.00 0.00 41.25 38.80 2j8h s ASN 19 CO 0.46 0.24 0.07 0.00 -2.57 0.00 0.00 177.10 175.30 2j8h s ALA 20 N -0.70 3.49 -0.16 0.60 0.00 0.14 -4.94 121.76 120.20 2j8h s ALA 20 Ca 0.25 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2j8h s ALA 20 Cb -0.17 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.07 2j8h s ALA 20 CO 0.14 0.29 -0.18 0.99 0.00 0.00 0.00 175.76 177.00 2j8h s THR 21 N 0.02 1.83 -0.19 0.00 2.01 -1.26 -0.08 115.64 117.97 2j8h s THR 21 Ca 0.06 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 2j8h s THR 21 Cb -0.12 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 2j8h s THR 21 CO 0.01 0.50 0.04 -0.76 -0.69 0.00 0.00 174.62 173.72 2j8h s LEU 22 N 1.26 3.64 0.02 4.42 1.02 -0.01 -4.95 118.68 124.08 2j8h s LEU 22 Ca 0.02 -0.00 0.04 0.00 0.02 0.00 0.00 54.13 54.21 2j8h s LEU 22 Cb -0.13 -1.92 -0.02 0.00 0.02 0.00 0.00 46.19 44.14 2j8h s LEU 22 CO -0.09 0.14 -0.13 -0.69 0.02 0.00 0.00 176.35 175.60 2j8h s VAL 23 N 0.54 1.02 0.22 -1.59 1.01 -1.26 -0.63 120.40 119.70 2j8h s VAL 23 Ca 0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 2j8h s VAL 23 Cb -0.13 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 2j8h s VAL 23 CO 0.01 0.07 0.44 0.00 0.00 0.00 0.00 175.10 175.62 2j8h s LYS 25 N -3.99 1.69 -0.07 0.00 2.20 -0.27 -1.27 119.74 118.03 2j8h s LYS 25 Ca 0.19 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.45 2j8h s LYS 25 Cb 0.00 -1.53 -0.03 0.00 -1.51 0.00 0.00 37.83 34.76 2j8h s LYS 25 CO 0.05 -0.10 -0.09 0.08 -0.36 0.00 0.00 175.35 174.93 2j8h s VAL 26 N 1.10 3.46 0.32 4.02 1.01 0.58 -0.19 120.40 130.70 2j8h s VAL 26 Ca -0.06 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.45 2j8h s VAL 26 Cb -0.14 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2j8h s VAL 26 CO -0.02 0.58 -0.05 0.42 0.00 0.00 0.00 175.10 176.03 2j8h s THR 27 N -0.59 2.59 0.00 3.92 -4.23 0.02 -4.44 115.64 112.91 2j8h s THR 27 Ca 0.09 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2j8h s THR 27 Cb -0.12 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.04 2j8h s THR 27 CO 0.02 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 2j8h n GLY 28 N -0.85 4.11 2.79 3.99 0.00 -1.26 -1.40 105.19 112.57 2j8h n GLY 28 Ca -0.05 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 2j8h n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2j8h s HIS 29 N -2.00 0.41 1.01 1.61 3.76 0.42 -3.64 115.29 116.86 2j8h s HIS 29 Ca 0.00 -0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 54.77 2j8h s HIS 29 Cb 0.00 -0.54 0.20 0.00 1.11 0.00 0.00 32.58 33.35 2j8h s HIS 29 CO 0.00 -0.19 1.10 -2.14 -0.85 0.00 0.00 174.74 172.65 2j8h s PRO 30 N 1.40 0.25 -0.20 8.40 0.02 -1.26 -4.46 135.00 139.16 2j8h s PRO 30 Ca -0.04 1.24 -0.37 0.00 0.02 0.00 0.00 61.00 61.85 2j8h s PRO 30 Cb -0.13 -1.66 -0.14 0.00 0.02 0.00 0.00 34.50 32.59 2j8h s PRO 30 CO -0.03 -3.06 1.83 1.17 -0.33 0.00 0.00 177.00 176.59 2j8h n LYS 31 N -4.50 1.63 -2.03 5.54 4.81 -1.24 -4.81 118.16 117.56 2j8h n LYS 31 Ca 0.08 0.59 -0.37 0.00 -0.87 0.00 0.00 58.31 57.75 2j8h n LYS 31 Cb 0.53 -2.37 0.02 0.00 0.02 0.00 0.00 35.03 33.23 2j8h n LYS 31 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2j8h s PRO 32 N 3.92 3.24 -0.10 1.64 0.02 -1.26 -4.87 135.00 137.59 2j8h s PRO 32 Ca 0.96 1.91 -0.12 0.00 0.02 0.00 0.00 61.00 63.77 2j8h s PRO 32 Cb -0.89 -2.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 2j8h s PRO 32 CO 0.59 -1.01 0.27 0.42 -0.33 0.00 0.00 177.00 176.94 2j8h s ILE 33 N -1.51 5.29 -0.06 2.83 1.01 0.25 -4.80 121.20 124.21 2j8h s ILE 33 Ca 0.72 0.51 0.04 0.00 0.00 0.00 0.00 60.65 61.92 2j8h s ILE 33 Cb -0.32 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2j8h s ILE 33 CO 0.37 0.51 -0.16 -0.69 0.00 0.00 0.00 174.94 174.97 2j8h s VAL 34 N -0.42 2.88 0.12 2.92 1.01 -1.26 -1.25 120.40 124.39 2j8h s VAL 34 Ca 0.18 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.44 2j8h s VAL 34 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2j8h s VAL 34 CO 0.06 0.58 -0.17 -0.54 0.00 0.00 0.00 175.10 175.04 2j8h s LYS 35 N -0.53 1.06 0.07 2.72 1.02 -0.52 -4.97 119.74 118.59 2j8h s LYS 35 Ca 0.07 -1.20 0.09 0.00 0.02 0.00 0.00 55.97 54.96 2j8h s LYS 35 Cb -0.11 -1.10 -0.03 0.00 -0.52 0.00 0.00 37.83 36.07 2j8h s LYS 35 CO 0.01 0.23 -0.25 -1.58 -0.92 0.00 0.00 175.35 172.84 2j8h s TRP 36 N -1.70 2.19 0.02 3.18 0.52 -1.26 -0.52 118.94 121.37 2j8h s TRP 36 Ca 0.07 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.80 2j8h s TRP 36 Cb -0.07 -1.26 -0.02 0.00 -1.15 0.00 0.00 33.47 30.97 2j8h s TRP 36 CO 0.04 0.19 -0.04 0.71 0.02 0.00 0.00 176.95 177.87 2j8h s TYR 37 N -0.91 0.36 -0.23 -1.98 1.51 0.23 0.69 117.35 117.02 2j8h s TYR 37 Ca 0.11 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 2j8h s TYR 37 Cb -0.10 -0.24 -0.00 0.00 -0.11 0.00 0.00 41.96 41.51 2j8h s TYR 37 CO 0.03 -0.11 -0.02 0.50 -1.11 0.00 0.00 175.55 174.84 2j8h s ARG 38 N -1.11 3.31 -1.55 -0.62 3.52 -0.05 -1.17 118.95 121.28 2j8h s ARG 38 Ca -0.10 -0.67 -0.06 0.00 -0.13 0.00 0.00 55.73 54.77 2j8h s ARG 38 Cb -0.07 -3.07 0.06 0.00 -1.56 0.00 0.00 34.95 30.30 2j8h s ARG 38 CO -0.00 -0.24 0.41 1.04 -0.81 0.00 0.00 175.30 175.70 2j8h n GLN 39 N 4.80 -2.45 -0.98 5.12 6.02 0.25 -1.10 117.38 129.05 2j8h n GLN 39 Ca -0.17 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2j8h n GLN 39 Cb 0.50 -4.44 0.00 0.00 1.02 0.00 0.00 30.24 27.32 2j8h n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j8h n GLY 40 N -1.93 0.47 3.39 1.08 0.00 -1.26 -5.00 105.19 101.94 2j8h n GLY 40 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2j8h n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j8h s LYS 41 N -0.37 3.44 0.32 1.61 1.02 -0.25 -5.06 119.74 120.44 2j8h s LYS 41 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 2j8h s LYS 41 Cb 0.00 -2.74 -0.11 0.00 -0.52 0.00 0.00 37.83 34.46 2j8h s LYS 41 CO 0.00 0.16 1.55 -2.00 -0.92 0.00 0.00 175.35 174.14 2j8h s GLU 42 N 0.51 4.12 -0.23 1.68 2.12 -1.26 -0.87 118.70 124.77 2j8h s GLU 42 Ca -0.07 2.57 -0.23 0.00 0.36 0.00 0.00 54.97 57.60 2j8h s GLU 42 Cb -0.15 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 2j8h s GLU 42 CO 0.04 -0.59 0.74 0.42 -0.54 0.00 0.00 175.26 175.33 2j8h s ILE 43 N -0.44 4.91 -0.34 -3.70 1.01 0.22 -4.79 121.20 118.07 2j8h s ILE 43 Ca 0.59 1.38 -0.13 0.00 0.00 0.00 0.00 60.65 62.49 2j8h s ILE 43 Cb -0.47 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 2j8h s ILE 43 CO 0.54 -0.01 0.26 -0.63 0.00 0.00 0.00 174.94 175.10 2j8h s ILE 44 N 2.55 5.27 0.31 2.92 -1.09 -1.26 -4.58 121.20 125.31 2j8h s ILE 44 Ca 0.31 -0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 58.25 2j8h s ILE 44 Cb -0.16 -3.73 -0.11 0.00 -1.58 0.00 0.00 42.46 36.88 2j8h s ILE 44 CO 0.08 -0.03 1.55 0.00 -1.23 0.00 0.00 174.94 175.32 2j8h s ALA 45 N 1.76 3.70 -0.53 9.38 0.00 -1.26 -4.91 121.76 129.90 2j8h s ALA 45 Ca 0.07 1.54 0.08 0.00 0.00 0.00 0.00 51.96 53.65 2j8h s ALA 45 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2j8h s ALA 45 CO 0.11 -0.97 0.43 -0.40 0.00 0.00 0.00 175.76 174.93 2j8h n ASP 46 N 1.82 0.69 0.00 0.00 5.75 -0.90 -5.01 116.55 118.90 2j8h n ASP 46 Ca 0.06 -0.84 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 2j8h n ASP 46 Cb 0.38 0.75 0.00 0.00 -1.03 0.00 0.00 41.12 41.22 2j8h n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j8h n GLY 47 N 1.00 1.69 0.00 6.12 0.00 -0.44 -4.86 105.19 108.69 2j8h n GLY 47 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2j8h n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j8h n LEU 48 N 0.00 0.00 -0.27 0.99 4.77 -1.26 -4.81 117.00 116.41 2j8h n LEU 48 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2j8h n LEU 48 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2j8h n LEU 48 CO 0.00 0.00 1.03 0.50 -1.33 0.00 0.00 177.39 177.59 2j8h h LYS 49 N 0.00 1.13 -4.52 3.23 1.63 -1.92 -3.40 116.57 112.72 2j8h h LYS 49 Ca 0.00 -0.21 -0.53 0.00 -0.85 0.00 0.00 60.65 59.06 2j8h h LYS 49 Cb 0.00 -0.18 -0.34 0.00 -0.60 0.00 0.00 32.23 31.11 2j8h h LYS 49 CO 0.00 0.92 -0.82 0.71 -3.45 0.00 0.00 179.45 176.82 2j8h s TYR 50 N -5.54 1.55 -0.05 1.91 1.51 -1.26 -0.87 117.35 114.59 2j8h s TYR 50 Ca -0.12 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.33 2j8h s TYR 50 Cb 0.15 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 2j8h s TYR 50 CO 0.83 -0.35 -0.15 1.03 -1.11 0.00 0.00 175.55 175.79 2j8h s ARG 51 N 0.91 1.77 -0.09 -0.62 0.52 -0.50 -1.33 118.95 119.61 2j8h s ARG 51 Ca -0.10 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 2j8h s ARG 51 Cb -0.15 -1.50 -0.02 0.00 0.52 0.00 0.00 34.95 33.80 2j8h s ARG 51 CO 0.01 0.16 -0.16 0.42 0.02 0.00 0.00 175.30 175.75 2j8h s ILE 52 N 0.25 2.83 0.02 1.52 1.01 -1.26 -0.40 121.20 125.18 2j8h s ILE 52 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2j8h s ILE 52 Cb -0.13 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2j8h s ILE 52 CO 0.03 0.56 -0.03 -1.10 0.00 0.00 0.00 174.94 174.39 2j8h s GLN 53 N -0.12 0.30 0.03 2.79 -0.21 0.47 -5.00 119.66 117.92 2j8h s GLN 53 Ca -0.02 -0.50 0.02 0.00 0.02 0.00 0.00 55.36 54.88 2j8h s GLN 53 Cb -0.14 -0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.84 2j8h s GLN 53 CO 0.04 -0.01 -0.08 -2.00 -2.12 0.00 0.00 175.29 171.12 2j8h s GLU 54 N -1.13 0.53 0.03 2.91 2.12 -1.26 -0.74 118.70 121.16 2j8h s GLU 54 Ca -0.11 -0.64 -0.00 0.00 0.36 0.00 0.00 54.97 54.58 2j8h s GLU 54 Cb -0.08 -0.36 -0.03 0.00 0.26 0.00 0.00 34.13 33.93 2j8h s GLU 54 CO -0.01 0.08 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.70 2j8h s PHE 55 N -1.09 0.36 0.45 5.30 0.40 -0.20 -5.01 117.98 118.19 2j8h s PHE 55 Ca -0.07 -0.67 -0.24 0.00 -0.60 0.00 0.00 56.93 55.35 2j8h s PHE 55 Cb -0.08 -0.26 -0.09 0.00 0.51 0.00 0.00 43.02 43.09 2j8h s PHE 55 CO 0.00 -0.23 1.11 1.63 0.70 0.00 0.00 175.22 178.43 2j8h n LYS 56 N 1.18 1.50 -0.29 0.44 5.02 -1.26 -2.56 118.16 122.20 2j8h n LYS 56 Ca -0.21 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2j8h n LYS 56 Cb 0.57 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 2j8h n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j8h n GLY 57 N 1.05 0.79 1.27 0.72 0.00 -1.26 -4.36 105.19 103.41 2j8h n GLY 57 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2j8h n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j8h n GLY 58 N -2.20 0.64 3.76 -0.02 0.00 -1.11 -4.73 105.19 101.53 2j8h n GLY 58 Ca 0.00 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 2j8h n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j8h s TYR 59 N -2.00 3.68 -0.03 1.61 1.51 -1.06 -0.31 117.35 120.75 2j8h s TYR 59 Ca 0.00 1.22 0.03 0.00 -1.01 0.00 0.00 57.07 57.30 2j8h s TYR 59 Cb 0.00 -2.64 0.00 0.00 -0.11 0.00 0.00 41.96 39.22 2j8h s TYR 59 CO 0.00 0.33 -0.10 -1.01 -1.11 0.00 0.00 175.55 173.66 2j8h s HIS 60 N -0.11 1.01 0.00 2.71 3.76 -0.40 -1.04 115.29 121.23 2j8h s HIS 60 Ca 0.32 -0.26 -0.05 0.00 -0.15 0.00 0.00 55.06 54.92 2j8h s HIS 60 Cb -0.18 -0.72 -0.00 0.00 1.11 0.00 0.00 32.58 32.79 2j8h s HIS 60 CO 0.18 -0.11 0.09 1.14 -0.85 0.00 0.00 174.74 175.19 2j8h s GLN 61 N 0.20 0.40 -0.13 1.40 -2.07 0.08 -0.89 119.66 118.66 2j8h s GLN 61 Ca -0.03 -0.41 0.01 0.00 -1.82 0.00 0.00 55.36 53.11 2j8h s GLN 61 Cb -0.09 0.16 -0.00 0.00 -1.09 0.00 0.00 33.01 31.99 2j8h s GLN 61 CO 0.01 -0.09 -0.17 -1.17 -1.32 0.00 0.00 175.29 172.55 2j8h s LEU 62 N -1.27 2.44 -0.23 2.60 2.96 0.19 -0.40 118.68 124.98 2j8h s LEU 62 Ca -0.14 -0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 2j8h s LEU 62 Cb -0.08 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2j8h s LEU 62 CO 0.01 0.12 0.05 -0.63 -1.32 0.00 0.00 176.35 174.58 2j8h s ILE 63 N 0.58 4.20 -0.29 6.68 1.01 0.47 -0.83 121.20 133.00 2j8h s ILE 63 Ca -0.10 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 2j8h s ILE 63 Cb -0.16 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 2j8h s ILE 63 CO 0.04 0.37 0.11 -0.63 0.00 0.00 0.00 174.94 174.83 2j8h s ILE 64 N 1.38 4.30 0.33 2.92 1.01 0.89 -1.41 121.20 130.61 2j8h s ILE 64 Ca 0.05 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 59.97 2j8h s ILE 64 Cb -0.15 -3.17 -0.10 0.00 0.01 0.00 0.00 42.46 39.06 2j8h s ILE 64 CO 0.03 0.13 0.96 0.00 0.00 0.00 0.00 174.94 176.05 2j8h s ALA 65 N 1.57 3.20 -0.92 9.38 0.00 -0.05 -0.68 121.76 134.25 2j8h s ALA 65 Ca 0.04 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 2j8h s ALA 65 Cb -0.17 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2j8h s ALA 65 CO 0.04 0.12 0.69 0.43 0.00 0.00 0.00 175.76 177.04 2j8h n SER 66 N 0.48 -5.69 -4.76 0.00 7.64 -0.91 -4.78 113.62 105.59 2j8h n SER 66 Ca 0.02 -0.78 -0.41 0.00 1.01 0.00 0.00 58.87 58.72 2j8h n SER 66 Cb 0.50 -3.07 -0.03 0.00 -1.01 0.00 0.00 64.21 60.60 2j8h n SER 66 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2j8h s VAL 67 N -3.16 2.88 0.44 0.44 -7.23 0.88 -4.57 120.40 110.07 2j8h s VAL 67 Ca 0.17 0.87 0.04 0.00 -1.81 0.00 0.00 61.98 61.24 2j8h s VAL 67 Cb -0.07 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 2j8h s VAL 67 CO 0.85 0.20 0.03 0.42 -0.31 0.00 0.00 175.10 176.29 2j8h s THR 68 N -1.03 1.36 0.60 5.32 -4.23 -1.26 -0.26 115.64 116.14 2j8h s THR 68 Ca 0.49 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.31 2j8h s THR 68 Cb -0.38 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.29 2j8h s THR 68 CO 0.50 0.00 2.23 -0.78 -0.54 0.00 0.00 174.62 176.02 2j8h h ASP 69 N 1.63 0.00 0.28 3.99 3.58 -1.96 0.57 116.42 124.50 2j8h h ASP 69 Ca -0.42 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.01 2j8h h ASP 69 Cb 1.28 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.32 2j8h h ASP 69 CO 0.74 0.00 -0.08 -0.78 -2.88 0.00 0.00 179.24 176.23 2j8h h ASP 70 N 0.00 0.00 0.44 2.28 3.58 -2.00 -1.55 116.42 119.17 2j8h h ASP 70 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2j8h h ASP 70 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2j8h h ASP 70 CO -0.00 0.08 -0.26 0.47 -2.88 0.00 0.00 179.24 176.65 2j8h n ASP 71 N -3.66 0.59 -4.53 2.28 8.00 0.19 -4.73 116.55 114.69 2j8h n ASP 71 Ca -0.02 -0.45 -0.42 0.00 0.71 0.00 0.00 54.79 54.62 2j8h n ASP 71 Cb 0.20 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 2j8h n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j8h s ALA 72 N -2.70 2.88 0.00 2.24 0.00 -0.58 -4.75 121.76 118.84 2j8h s ALA 72 Ca 0.20 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 49.77 2j8h s ALA 72 Cb 0.19 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.90 2j8h s ALA 72 CO 0.56 -3.46 0.00 -2.37 0.00 0.00 0.00 175.76 170.50 2j8h n THR 73 N 6.53 0.00 -3.64 0.00 5.66 -0.89 -4.92 114.28 117.02 2j8h n THR 73 Ca 0.31 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.93 2j8h n THR 73 Cb 0.50 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.22 2j8h n THR 73 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2j8h s VAL 74 N -2.97 5.21 0.14 1.08 0.11 -1.26 -0.98 120.40 121.73 2j8h s VAL 74 Ca 0.00 0.61 0.10 0.00 -2.93 0.00 0.00 61.98 59.76 2j8h s VAL 74 Cb 0.00 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 2j8h s VAL 74 CO 0.00 0.59 -0.24 -0.31 -3.33 0.00 0.00 175.10 171.82 2j8h s TYR 75 N -1.04 2.09 0.06 1.54 1.51 0.15 -0.58 117.35 121.08 2j8h s TYR 75 Ca 0.20 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.94 2j8h s TYR 75 Cb -0.15 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 2j8h s TYR 75 CO 0.10 0.33 -0.19 -0.65 -1.11 0.00 0.00 175.55 174.03 2j8h s GLN 76 N -2.23 1.18 -0.05 -0.62 1.11 -0.31 -1.60 119.66 117.13 2j8h s GLN 76 Ca 0.13 -0.99 0.05 0.00 0.01 0.00 0.00 55.36 54.57 2j8h s GLN 76 Cb -0.09 -1.32 -0.01 0.00 -1.01 0.00 0.00 33.01 30.59 2j8h s GLN 76 CO 0.06 0.32 -0.20 0.54 0.01 0.00 0.00 175.29 176.03 2j8h s VAL 77 N -0.97 1.64 -0.04 1.09 0.11 -0.07 -0.60 120.40 121.57 2j8h s VAL 77 Ca 0.05 -0.83 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 2j8h s VAL 77 Cb -0.09 -1.41 -0.01 0.00 -1.53 0.00 0.00 36.38 33.34 2j8h s VAL 77 CO 0.03 0.47 -0.24 -0.60 -3.33 0.00 0.00 175.10 171.42 2j8h s ARG 78 N -0.01 2.27 -0.10 1.54 3.52 0.32 -0.13 118.95 126.36 2j8h s ARG 78 Ca -0.04 -0.87 0.03 0.00 -0.13 0.00 0.00 55.73 54.72 2j8h s ARG 78 Cb -0.12 -2.01 0.01 0.00 -1.56 0.00 0.00 34.95 31.26 2j8h s ARG 78 CO 0.03 0.42 -0.19 0.00 -0.81 0.00 0.00 175.30 174.75 2j8h s ALA 79 N -0.30 1.87 -0.02 6.12 0.00 0.18 -1.44 121.76 128.17 2j8h s ALA 79 Ca 0.01 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2j8h s ALA 79 Cb -0.12 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.22 2j8h s ALA 79 CO 0.02 0.13 -0.05 0.99 0.00 0.00 0.00 175.76 176.85 2j8h s THR 80 N 0.62 0.44 0.00 0.00 2.01 -0.38 -1.55 115.64 116.78 2j8h s THR 80 Ca -0.14 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2j8h s THR 80 Cb -0.16 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2j8h s THR 80 CO 0.04 0.15 0.00 -0.46 -0.69 0.00 0.00 174.62 173.66 2j8h n ASN 81 N 3.34 0.00 0.12 3.53 0.23 -0.21 -0.59 115.26 121.69 2j8h n ASN 81 Ca -0.18 -0.99 0.12 0.00 -0.53 0.00 0.00 54.58 53.00 2j8h n ASN 81 Cb 0.55 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.72 2j8h n ASN 81 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2j8h n GLN 82 N 0.00 0.21 0.04 -3.83 1.13 -1.26 -1.95 117.38 111.71 2j8h n GLN 82 Ca 0.00 0.37 0.12 0.00 -1.94 0.00 0.00 57.00 55.56 2j8h n GLN 82 Cb 0.00 -1.85 0.29 0.00 0.11 0.00 0.00 30.24 28.79 2j8h n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2j8h n GLY 83 N 0.30 -1.41 0.00 1.08 0.00 -1.26 -5.03 105.19 98.87 2j8h n GLY 83 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2j8h n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j8h n GLY 84 N 1.41 0.91 2.91 -0.02 0.00 -0.82 -4.68 105.19 104.90 2j8h n GLY 84 Ca 0.05 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2j8h n GLY 84 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2j8h s SER 85 N 0.00 0.25 -0.02 1.61 0.15 -1.26 -1.05 113.70 113.38 2j8h s SER 85 Ca 0.00 -0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.46 2j8h s SER 85 Cb 0.00 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 2j8h s SER 85 CO 0.00 0.00 0.25 0.54 1.20 0.00 0.00 173.24 175.23 2j8h s VAL 86 N -0.15 0.06 0.33 4.45 0.11 -0.59 -4.99 120.40 119.61 2j8h s VAL 86 Ca -0.00 -0.50 0.10 0.00 -2.93 0.00 0.00 61.98 58.64 2j8h s VAL 86 Cb -0.01 -0.53 -0.06 0.00 -1.53 0.00 0.00 36.38 34.24 2j8h s VAL 86 CO -0.00 -0.28 -0.11 -0.94 -3.33 0.00 0.00 175.10 170.44 2j8h s SER 87 N -1.20 3.69 0.17 3.54 1.04 -1.26 -0.65 113.70 119.03 2j8h s SER 87 Ca -0.13 -1.17 0.04 0.00 0.48 0.00 0.00 55.95 55.18 2j8h s SER 87 Cb -0.06 -0.34 -0.05 0.00 0.10 0.00 0.00 66.02 65.68 2j8h s SER 87 CO 0.03 -0.16 -0.08 -0.83 0.98 0.00 0.00 173.24 173.18 2j8h s GLY 88 N -3.59 1.21 0.02 7.32 0.00 0.81 -4.96 107.32 108.13 2j8h s GLY 88 Ca 0.32 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.48 2j8h s GLY 88 CO 0.16 -1.62 -0.04 -1.08 0.00 0.00 0.00 173.10 170.52 2j8h s THR 89 N -3.33 0.25 0.01 0.90 -1.32 -1.26 -0.89 115.64 109.99 2j8h s THR 89 Ca 0.20 -0.61 -0.05 0.00 -1.21 0.00 0.00 61.69 60.02 2j8h s THR 89 Cb 0.03 -0.31 -0.01 0.00 -1.51 0.00 0.00 72.50 70.71 2j8h s THR 89 CO 0.03 -0.24 0.08 0.00 -2.21 0.00 0.00 174.62 172.28 2j8h s ALA 90 N -0.85 -0.18 -0.09 11.08 0.00 -0.63 -4.78 121.76 126.31 2j8h s ALA 90 Ca -0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 2j8h s ALA 90 Cb -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2j8h s ALA 90 CO -0.00 -0.19 0.16 -1.54 0.00 0.00 0.00 175.76 174.19 2j8h s SER 91 N -1.35 6.39 -0.23 0.00 1.04 -1.26 -0.67 113.70 117.62 2j8h s SER 91 Ca -0.15 0.44 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 2j8h s SER 91 Cb -0.08 -2.05 -0.03 0.00 0.10 0.00 0.00 66.02 63.95 2j8h s SER 91 CO 0.01 0.37 0.08 -0.22 0.98 0.00 0.00 173.24 174.45 2j8h s LEU 92 N -1.29 3.62 -0.06 2.42 2.96 -0.15 -0.72 118.68 125.46 2j8h s LEU 92 Ca 0.19 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 2j8h s LEU 92 Cb -0.12 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2j8h s LEU 92 CO 0.08 0.04 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.45 2j8h s GLU 93 N 1.18 2.66 -0.18 1.98 2.02 -0.21 -2.10 118.70 124.04 2j8h s GLU 93 Ca 0.05 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 2j8h s GLU 93 Cb -0.14 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.56 2j8h s GLU 93 CO 0.04 0.65 -0.11 0.08 0.02 0.00 0.00 175.26 175.94 2j8h s VAL 94 N -0.81 2.93 -0.18 2.63 1.01 -1.26 -1.60 120.40 123.13 2j8h s VAL 94 Ca 0.13 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 2j8h s VAL 94 Cb -0.11 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2j8h s VAL 94 CO 0.02 0.48 0.65 -1.61 0.00 0.00 0.00 175.10 174.64 2j8h s GLU 95 N 1.12 4.25 -0.19 2.72 2.02 0.24 -4.76 118.70 124.10 2j8h s GLU 95 Ca 0.01 0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.68 2j8h s GLU 95 Cb -0.14 -3.56 0.05 0.00 0.10 0.00 0.00 34.13 30.57 2j8h s GLU 95 CO -0.03 -0.20 -0.07 0.08 0.02 0.00 0.00 175.26 175.06 2j8h s VAL 96 N 1.77 1.38 0.49 2.63 1.01 -0.68 -0.66 120.40 126.35 2j8h s VAL 96 Ca 0.30 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 2j8h s VAL 96 Cb -0.16 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 2j8h s VAL 96 CO 0.11 0.10 1.22 -2.65 0.00 0.00 0.00 175.10 173.88 2j8h n PRO 97 N 4.77 1.62 -1.86 2.72 -0.02 -1.26 -0.37 135.00 140.60 2j8h n PRO 97 Ca -0.13 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 2j8h n PRO 97 Cb 0.47 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2j8h n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j8h s ALA 98 N -1.29 3.75 -0.17 3.55 0.00 -1.26 -4.08 121.76 122.27 2j8h s ALA 98 Ca 0.67 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.99 2j8h s ALA 98 Cb -0.47 -3.63 0.05 0.00 0.00 0.00 0.00 23.12 19.07 2j8h s ALA 98 CO 0.53 -0.88 0.42 0.21 0.00 0.00 0.00 175.76 176.05 2j8h s LYS 99 N 0.03 0.46 -0.16 0.00 2.47 -0.30 -4.20 119.74 118.03 2j8h s LYS 99 Ca 0.65 0.69 -0.10 0.00 -1.56 0.00 0.00 55.97 55.65 2j8h s LYS 99 Cb -0.46 0.13 -0.05 0.00 -1.46 0.00 0.00 37.83 35.99 2j8h s LYS 99 CO 0.42 -0.10 0.16 0.42 0.16 0.00 0.00 175.35 176.41 2j8h s ILE 100 N 0.75 5.42 -0.42 5.43 -1.09 -1.26 -0.78 121.20 129.25 2j8h s ILE 100 Ca -0.04 0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.67 2j8h s ILE 100 Cb -0.05 -3.47 0.11 0.00 -1.58 0.00 0.00 42.46 37.47 2j8h s ILE 100 CO -0.05 0.50 0.15 -1.00 -1.23 0.00 0.00 174.94 173.30 2j8h s HIS 101 N -0.15 3.52 -0.26 3.97 3.76 -0.46 -5.00 115.29 120.67 2j8h s HIS 101 Ca 0.12 -3.06 -0.29 0.00 -0.15 0.00 0.00 55.06 51.68 2j8h s HIS 101 Cb -0.12 -2.90 -0.00 0.00 1.11 0.00 0.00 32.58 30.67 2j8h s HIS 101 CO 0.01 -0.86 1.30 -0.51 -0.85 0.00 0.00 174.74 173.83 2j8h s LEU 102 N 0.40 3.96 0.18 0.89 1.43 -1.26 -3.89 118.68 120.39 2j8h s LEU 102 Ca 0.13 1.34 -0.13 0.00 -1.03 0.00 0.00 54.13 54.45 2j8h s LEU 102 Cb -0.22 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.57 2j8h s LEU 102 CO -0.05 -1.00 1.82 -0.65 0.23 0.00 0.00 176.35 176.71 2j8h h PRO 103 N 9.03 0.65 -4.60 1.29 0.11 -1.95 -3.43 132.00 133.10 2j8h h PRO 103 Ca -0.26 -0.04 -0.43 0.00 0.11 0.00 0.00 66.00 65.38 2j8h h PRO 103 Cb 1.10 -0.15 -0.31 0.00 0.11 0.00 0.00 31.00 31.76 2j8h h PRO 103 CO 1.02 0.43 -0.79 0.15 -0.21 0.00 0.00 178.00 178.60 2j8h s LYS 104 N -6.14 0.95 0.06 1.05 1.02 -1.26 -5.15 119.74 110.28 2j8h s LYS 104 Ca -0.13 -0.31 0.05 0.00 0.02 0.00 0.00 55.97 55.61 2j8h s LYS 104 Cb 0.13 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 36.53 2j8h s LYS 104 CO 0.75 0.12 -0.15 0.95 -0.92 0.00 0.00 175.35 176.09 2j8h s THR 105 N 0.17 1.20 -0.14 2.17 -4.23 -1.26 -4.36 115.64 109.19 2j8h s THR 105 Ca -0.03 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 2j8h s THR 105 Cb -0.08 -1.11 0.02 0.00 1.34 0.00 0.00 72.50 72.67 2j8h s THR 105 CO 0.00 -0.09 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.65 2j8h s LEU 106 N -1.48 1.51 -1.45 4.79 2.96 0.12 -4.76 118.68 120.38 2j8h s LEU 106 Ca 0.01 -0.42 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 2j8h s LEU 106 Cb -0.09 -1.06 0.05 0.00 0.50 0.00 0.00 46.19 45.59 2j8h s LEU 106 CO 0.02 -0.08 1.00 -0.62 -1.32 0.00 0.00 176.35 175.35 2j8h n GLU 107 N 4.83 -6.08 -0.67 1.98 -0.58 -1.26 -2.01 120.64 116.86 2j8h n GLU 107 Ca -0.15 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 2j8h n GLU 107 Cb 0.50 -5.56 0.00 0.00 -0.57 0.00 0.00 31.44 25.81 2j8h n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2j8h n GLY 108 N -1.73 1.55 3.36 0.62 0.00 -1.26 -4.99 105.19 102.73 2j8h n GLY 108 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2j8h n GLY 108 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2j8h s MET 109 N -0.03 1.34 0.88 1.61 -1.94 -0.85 -4.79 119.30 115.52 2j8h s MET 109 Ca 0.00 -1.42 -0.12 0.00 -1.71 0.00 0.00 55.69 52.44 2j8h s MET 109 Cb 0.00 -1.52 0.10 0.00 2.01 0.00 0.00 34.83 35.42 2j8h s MET 109 CO 0.00 0.32 0.99 0.41 -0.01 0.00 0.00 175.02 176.74 2j8h n GLY 110 N 0.39 -0.64 2.89 -0.03 0.00 0.07 0.14 105.19 108.02 2j8h n GLY 110 Ca -0.14 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 2j8h n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8h s ALA 111 N -2.39 -0.23 -0.10 4.61 0.00 -1.26 -1.03 121.76 121.36 2j8h s ALA 111 Ca 0.67 0.64 0.02 0.00 0.00 0.00 0.00 51.96 53.29 2j8h s ALA 111 Cb -0.25 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2j8h s ALA 111 CO 0.58 -0.30 -0.17 0.08 0.00 0.00 0.00 175.76 175.95 2j8h s VAL 112 N 1.56 1.57 -0.29 0.00 1.01 -0.37 -4.97 120.40 118.91 2j8h s VAL 112 Ca -0.05 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2j8h s VAL 112 Cb -0.12 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2j8h s VAL 112 CO -0.06 0.45 0.04 -1.00 0.00 0.00 0.00 175.10 174.53 2j8h s HIS 113 N 0.81 3.14 0.28 5.22 0.09 -1.26 -1.64 115.29 121.93 2j8h s HIS 113 Ca -0.10 -1.24 0.12 0.00 -0.00 0.00 0.00 55.06 53.84 2j8h s HIS 113 Cb -0.16 -2.20 -0.05 0.00 -0.00 0.00 0.00 32.58 30.18 2j8h s HIS 113 CO 0.01 -0.65 -0.20 0.00 -0.00 0.00 0.00 174.74 173.90 2j8h s ALA 114 N 1.43 2.74 0.09 -1.40 0.00 -0.13 -5.00 121.76 119.49 2j8h s ALA 114 Ca 0.01 -1.87 0.04 0.00 0.00 0.00 0.00 51.96 50.14 2j8h s ALA 114 Cb -0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2j8h s ALA 114 CO 0.00 0.28 0.04 -0.51 0.00 0.00 0.00 175.76 175.58 2j8h s LEU 115 N -3.49 3.64 0.20 0.00 1.43 -1.26 -0.16 118.68 119.05 2j8h s LEU 115 Ca 0.30 -0.09 -0.32 0.00 -1.03 0.00 0.00 54.13 52.98 2j8h s LEU 115 Cb -0.05 -2.35 -0.15 0.00 0.03 0.00 0.00 46.19 43.68 2j8h s LEU 115 CO 0.15 0.17 1.25 0.54 0.23 0.00 0.00 176.35 178.69 2j8h n ARG 116 N 0.48 1.50 -0.09 1.70 1.74 -0.36 -1.46 116.66 120.16 2j8h n ARG 116 Ca -0.10 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2j8h n ARG 116 Cb 0.52 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2j8h n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j8h n GLY 117 N 2.06 1.97 3.72 -0.13 0.00 0.53 -4.92 105.19 108.43 2j8h n GLY 117 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2j8h n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j8h s GLU 118 N -0.29 4.40 -0.87 1.61 2.12 -0.54 -4.29 118.70 120.84 2j8h s GLU 118 Ca 0.00 1.95 -0.25 0.00 0.36 0.00 0.00 54.97 57.03 2j8h s GLU 118 Cb 0.00 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.17 2j8h s GLU 118 CO 0.00 -0.29 1.35 0.08 -0.54 0.00 0.00 175.26 175.87 2j8h s VAL 119 N 0.67 3.82 0.07 3.70 1.01 -1.26 -0.64 120.40 127.76 2j8h s VAL 119 Ca 0.59 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 2j8h s VAL 119 Cb -0.34 -4.98 -0.06 0.00 0.00 0.00 0.00 36.38 30.99 2j8h s VAL 119 CO 0.33 -1.89 0.63 -0.69 0.00 0.00 0.00 175.10 173.48 2j8h s VAL 120 N 5.38 4.71 -0.13 2.92 1.01 -1.25 -4.90 120.40 128.14 2j8h s VAL 120 Ca 0.40 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.75 2j8h s VAL 120 Cb -0.04 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.37 2j8h s VAL 120 CO 0.04 0.50 -0.21 -0.44 0.00 0.00 0.00 175.10 174.98 2j8h s SER 121 N -0.80 3.20 -0.56 3.32 0.01 -1.26 -0.59 113.70 117.02 2j8h s SER 121 Ca 0.32 -0.57 -0.17 0.00 1.31 0.00 0.00 55.95 56.83 2j8h s SER 121 Cb -0.20 -1.45 0.11 0.00 0.21 0.00 0.00 66.02 64.69 2j8h s SER 121 CO 0.20 0.11 0.59 -0.63 0.41 0.00 0.00 173.24 173.92 2j8h s ILE 122 N 0.67 5.03 -0.28 1.44 1.01 0.51 -4.92 121.20 124.64 2j8h s ILE 122 Ca -0.10 -1.23 -0.13 0.00 0.00 0.00 0.00 60.65 59.18 2j8h s ILE 122 Cb -0.16 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2j8h s ILE 122 CO 0.02 -0.98 0.29 -0.75 0.00 0.00 0.00 174.94 173.52 2j8h s LYS 123 N 2.12 3.92 -0.25 2.79 2.20 -1.26 -1.34 119.74 127.92 2j8h s LYS 123 Ca 0.07 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 2j8h s LYS 123 Cb -0.27 -3.68 0.07 0.00 -1.51 0.00 0.00 37.83 32.44 2j8h s LYS 123 CO 0.05 -0.27 -0.04 0.42 -0.36 0.00 0.00 175.35 175.15 2j8h s ILE 124 N 1.92 1.57 0.51 5.43 -1.09 0.18 -4.92 121.20 124.80 2j8h s ILE 124 Ca 0.11 -1.33 -0.21 0.00 -2.23 0.00 0.00 60.65 56.99 2j8h s ILE 124 Cb -0.16 -1.87 -0.06 0.00 -1.58 0.00 0.00 42.46 38.79 2j8h s ILE 124 CO 0.11 -0.17 1.20 -2.84 -1.23 0.00 0.00 174.94 172.01 2j8h s PRO 125 N 1.36 3.45 0.12 2.79 0.02 -1.25 -0.78 135.00 140.71 2j8h s PRO 125 Ca -0.04 1.83 -0.06 0.00 0.02 0.00 0.00 61.00 62.75 2j8h s PRO 125 Cb -0.19 -2.23 -0.02 0.00 0.02 0.00 0.00 34.50 32.08 2j8h s PRO 125 CO -0.07 -0.82 0.17 -0.59 -0.33 0.00 0.00 177.00 175.35 2j8h s PHE 126 N -1.55 0.40 0.24 6.54 -0.12 -0.43 -1.35 117.98 121.71 2j8h s PHE 126 Ca 0.69 -0.82 0.09 0.00 -0.05 0.00 0.00 56.93 56.84 2j8h s PHE 126 Cb -0.30 -0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 41.87 2j8h s PHE 126 CO 0.35 -0.58 -0.15 -1.12 -0.05 0.00 0.00 175.22 173.68 2j8h s SER 127 N -2.94 2.93 0.00 1.98 0.01 0.04 -4.63 113.70 111.10 2j8h s SER 127 Ca 0.13 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2j8h s SER 127 Cb 0.05 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2j8h s SER 127 CO -0.05 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2j8h n GLY 128 N -0.49 3.32 2.75 3.44 0.00 -1.26 -1.15 105.19 111.80 2j8h n GLY 128 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2j8h n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j8h s LYS 129 N -0.13 0.02 0.64 1.61 -0.14 0.50 -3.46 119.74 118.79 2j8h s LYS 129 Ca 0.00 0.39 -0.17 0.00 -1.36 0.00 0.00 55.97 54.83 2j8h s LYS 129 Cb 0.00 -0.65 -0.04 0.00 -1.68 0.00 0.00 37.83 35.46 2j8h s LYS 129 CO 0.00 -0.40 0.81 -2.30 -0.76 0.00 0.00 175.35 172.70 2j8h n PRO 130 N 5.31 0.63 -1.65 -1.68 -0.02 -1.26 -1.68 135.00 134.65 2j8h n PRO 130 Ca -0.05 0.26 -0.48 0.00 -2.02 0.00 0.00 63.50 61.21 2j8h n PRO 130 Cb 0.50 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 2j8h n PRO 130 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2j8h n ASP 131 N -0.68 2.64 -4.84 2.55 8.00 -1.22 -4.83 116.55 118.17 2j8h n ASP 131 Ca 0.13 1.09 -0.32 0.00 0.71 0.00 0.00 54.79 56.39 2j8h n ASP 131 Cb 0.48 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.12 40.20 2j8h n ASP 131 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2j8h s PRO 132 N 1.02 3.96 0.03 -0.24 0.04 -1.26 -4.91 135.00 133.64 2j8h s PRO 132 Ca 0.82 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 2j8h s PRO 132 Cb -0.78 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 2j8h s PRO 132 CO 0.42 -0.25 1.10 0.08 0.04 0.00 0.00 177.00 178.39 2j8h s VAL 133 N -2.60 4.42 -0.14 -0.36 1.01 0.55 -4.82 120.40 118.47 2j8h s VAL 133 Ca 0.59 1.74 -0.03 0.00 0.00 0.00 0.00 61.98 64.27 2j8h s VAL 133 Cb -0.10 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2j8h s VAL 133 CO 0.30 0.13 -0.02 -0.63 0.00 0.00 0.00 175.10 174.87 2j8h s ILE 134 N 1.12 4.03 0.06 2.22 -1.09 -1.26 -1.17 121.20 125.11 2j8h s ILE 134 Ca 0.55 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.69 2j8h s ILE 134 Cb -0.25 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 2j8h s ILE 134 CO 0.28 0.52 -0.11 0.42 -1.23 0.00 0.00 174.94 174.81 2j8h s THR 135 N 0.06 0.87 0.05 2.92 -4.23 -0.17 -4.98 115.64 110.15 2j8h s THR 135 Ca 0.01 -1.21 0.08 0.00 -1.18 0.00 0.00 61.69 59.39 2j8h s THR 135 Cb -0.13 -0.87 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 2j8h s THR 135 CO 0.02 -0.29 -0.22 0.26 -0.54 0.00 0.00 174.62 173.85 2j8h s TRP 136 N -1.32 1.95 0.04 3.99 0.52 -1.26 -0.83 118.94 122.02 2j8h s TRP 136 Ca -0.05 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.69 2j8h s TRP 136 Cb -0.10 -1.16 -0.02 0.00 -1.15 0.00 0.00 33.47 31.03 2j8h s TRP 136 CO 0.01 0.11 -0.05 -0.65 0.02 0.00 0.00 176.95 176.39 2j8h s GLN 137 N -1.23 0.45 -0.27 4.98 -0.21 0.51 0.03 119.66 123.92 2j8h s GLN 137 Ca 0.09 -0.77 -0.02 0.00 0.02 0.00 0.00 55.36 54.68 2j8h s GLN 137 Cb -0.09 -0.03 0.03 0.00 1.00 0.00 0.00 33.01 33.92 2j8h s GLN 137 CO 0.02 -0.02 -0.03 0.21 -2.12 0.00 0.00 175.29 173.35 2j8h s LYS 138 N -1.91 2.76 7.99 2.91 2.20 -0.16 -0.28 119.74 133.26 2j8h s LYS 138 Ca -0.10 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.47 2j8h s LYS 138 Cb -0.07 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 2j8h s LYS 138 CO -0.02 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 2j8h n GLY 139 N 4.68 4.11 2.74 5.54 0.00 -0.92 -1.72 105.19 119.63 2j8h n GLY 139 Ca -0.15 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2j8h n GLY 139 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2j8h n GLN 140 N 14.00 3.43 -3.68 1.61 6.02 -1.26 -4.86 117.38 132.64 2j8h n GLN 140 Ca 0.00 -4.16 -0.21 0.00 -0.01 0.00 0.00 57.00 52.62 2j8h n GLN 140 Cb 0.00 -2.29 -0.18 0.00 1.02 0.00 0.00 30.24 28.79 2j8h n GLN 140 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2j8h s ASP 141 N -2.16 1.41 0.26 1.08 1.11 -0.70 -5.13 116.67 112.54 2j8h s ASP 141 Ca 0.48 -0.05 -0.30 0.00 0.18 0.00 0.00 52.55 52.86 2j8h s ASP 141 Cb 0.37 -0.22 -0.10 0.00 1.07 0.00 0.00 42.92 44.04 2j8h s ASP 141 CO -0.27 -0.25 1.46 -0.76 1.18 0.00 0.00 175.17 176.53 2j8h s LEU 142 N 2.12 4.38 -0.21 1.23 1.43 -1.26 -0.99 118.68 125.37 2j8h s LEU 142 Ca 0.04 2.72 -0.08 0.00 -1.03 0.00 0.00 54.13 55.78 2j8h s LEU 142 Cb -0.13 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 2j8h s LEU 142 CO -0.04 -0.74 0.08 -0.63 0.23 0.00 0.00 176.35 175.25 2j8h s ILE 143 N -0.04 4.70 0.52 -0.59 1.01 0.10 -4.88 121.20 122.02 2j8h s ILE 143 Ca 0.60 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 61.21 2j8h s ILE 143 Cb -0.43 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 2j8h s ILE 143 CO 0.44 0.40 0.05 1.51 0.00 0.00 0.00 174.94 177.34 2j8h s ASP 144 N 0.93 4.20 -0.01 3.58 1.47 -1.26 -4.31 116.67 121.27 2j8h s ASP 144 Ca 0.04 -1.62 -0.37 0.00 1.18 0.00 0.00 52.55 51.78 2j8h s ASP 144 Cb -0.14 0.56 -0.16 0.00 -0.34 0.00 0.00 42.92 42.84 2j8h s ASP 144 CO 0.03 -0.90 1.52 0.59 0.68 0.00 0.00 175.17 177.08 2j8h n ASN 145 N -1.34 2.16 0.00 2.11 3.02 -1.26 -4.69 115.26 115.26 2j8h n ASN 145 Ca -0.18 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.46 2j8h n ASN 145 Cb 0.67 -1.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2j8h n ASN 145 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2j8h n ASN 146 N 3.70 0.00 0.00 6.41 0.23 -1.14 -5.00 115.26 119.46 2j8h n ASN 146 Ca 0.21 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.35 2j8h n ASN 146 Cb 0.19 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.40 2j8h n ASN 146 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2j8h n GLY 147 N 0.00 -0.93 0.74 4.83 0.00 -1.26 -4.13 105.19 104.44 2j8h n GLY 147 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2j8h n GLY 147 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2j8h n HIS 148 N -1.28 0.00 -4.05 1.61 -0.00 -1.26 -4.94 115.22 105.31 2j8h n HIS 148 Ca 0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.52 2j8h n HIS 148 Cb 0.16 -0.28 -0.06 0.00 -0.00 0.00 0.00 29.99 29.80 2j8h n HIS 148 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2j8h s TYR 149 N -2.17 3.21 -0.11 1.57 1.51 -1.26 -4.18 117.35 115.92 2j8h s TYR 149 Ca -0.11 0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.04 2j8h s TYR 149 Cb 0.04 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 2j8h s TYR 149 CO 0.15 0.53 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.78 2j8h s GLN 150 N -2.63 2.57 -0.19 -0.62 2.00 -0.05 -2.89 119.66 117.85 2j8h s GLN 150 Ca 0.30 -0.70 -0.12 0.00 -2.00 0.00 0.00 55.36 52.85 2j8h s GLN 150 Cb -0.12 -2.07 -0.05 0.00 0.80 0.00 0.00 33.01 31.57 2j8h s GLN 150 CO 0.23 0.02 0.21 0.08 -0.50 0.00 0.00 175.29 175.33 2j8h s VAL 151 N 0.75 5.35 -0.15 1.34 1.01 -1.26 0.28 120.40 127.73 2j8h s VAL 151 Ca -0.11 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 2j8h s VAL 151 Cb -0.16 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2j8h s VAL 151 CO 0.01 0.40 -0.04 -0.63 0.00 0.00 0.00 175.10 174.85 2j8h s ILE 152 N 0.49 3.89 -0.10 2.22 1.01 0.27 -4.97 121.20 124.01 2j8h s ILE 152 Ca 0.12 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.42 2j8h s ILE 152 Cb -0.12 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.68 2j8h s ILE 152 CO 0.01 0.51 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 2j8h s VAL 153 N 0.23 1.22 0.02 2.92 1.01 -1.26 -1.02 120.40 123.53 2j8h s VAL 153 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2j8h s VAL 153 Cb -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2j8h s VAL 153 CO 0.03 0.39 0.01 0.35 0.00 0.00 0.00 175.10 175.87 2j8h n THR 154 N 4.32 0.00 0.26 3.92 -2.24 0.29 -5.02 114.28 115.82 2j8h n THR 154 Ca -0.18 -0.10 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2j8h n THR 154 Cb 0.51 -0.19 0.72 0.00 -2.10 0.00 0.00 70.33 69.27 2j8h n THR 154 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2j8h h ARG 155 N 0.00 0.00 0.00 -0.78 3.08 -2.00 -3.36 114.38 111.32 2j8h h ARG 155 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2j8h h ARG 155 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2j8h h ARG 155 CO 0.03 0.12 -0.11 -1.13 -1.07 0.00 0.00 179.97 177.81 2j8h n SER 156 N -3.57 0.54 -3.73 7.04 3.41 -1.26 -4.97 113.62 111.08 2j8h n SER 156 Ca -0.02 -0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.24 2j8h n SER 156 Cb 0.25 0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 64.77 2j8h n SER 156 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2j8h s PHE 157 N -0.73 -0.08 -0.01 7.33 -0.12 -1.26 -1.32 117.98 121.79 2j8h s PHE 157 Ca 0.00 -0.25 0.03 0.00 -0.05 0.00 0.00 56.93 56.66 2j8h s PHE 157 Cb 0.00 0.29 -0.00 0.00 -0.63 0.00 0.00 43.02 42.68 2j8h s PHE 157 CO 0.00 -0.82 -0.10 -0.08 -0.05 0.00 0.00 175.22 174.16 2j8h s THR 158 N -3.86 0.85 -0.04 -4.49 -1.32 0.04 -0.55 115.64 106.26 2j8h s THR 158 Ca 0.08 -0.44 0.06 0.00 -1.21 0.00 0.00 61.69 60.18 2j8h s THR 158 Cb 0.00 -0.72 -0.01 0.00 -1.51 0.00 0.00 72.50 70.26 2j8h s THR 158 CO -0.06 0.25 -0.23 -0.44 -2.21 0.00 0.00 174.62 171.93 2j8h s SER 159 N -0.11 2.80 -0.31 8.08 0.01 -0.19 0.47 113.70 124.45 2j8h s SER 159 Ca 0.02 -0.46 -0.14 0.00 1.31 0.00 0.00 55.95 56.68 2j8h s SER 159 Cb -0.06 -0.66 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 2j8h s SER 159 CO -0.00 0.24 0.34 -0.22 0.41 0.00 0.00 173.24 174.00 2j8h s LEU 160 N -0.21 4.23 0.03 2.44 2.96 -0.45 -0.57 118.68 127.11 2j8h s LEU 160 Ca -0.01 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 2j8h s LEU 160 Cb -0.12 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 2j8h s LEU 160 CO 0.02 -0.24 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.05 2j8h s VAL 161 N 2.00 3.55 -0.89 1.68 1.01 0.14 -0.36 120.40 127.53 2j8h s VAL 161 Ca 0.12 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 2j8h s VAL 161 Cb -0.16 -2.57 0.24 0.00 0.00 0.00 0.00 36.38 33.89 2j8h s VAL 161 CO 0.11 0.32 0.91 0.49 0.00 0.00 0.00 175.10 176.92 2j8h n PHE 162 N 1.32 3.81 0.31 5.22 3.01 0.25 -0.88 117.46 130.51 2j8h n PHE 162 Ca -0.15 -3.87 0.19 0.00 1.01 0.00 0.00 57.45 54.63 2j8h n PHE 162 Cb 0.52 -1.06 0.97 0.00 -0.01 0.00 0.00 39.48 39.90 2j8h n PHE 162 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2j8h h PRO 163 N 5.57 0.00 -0.01 -1.08 0.13 -1.84 -1.51 132.00 133.26 2j8h h PRO 163 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2j8h h PRO 163 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2j8h h PRO 163 CO 0.94 0.02 -0.13 0.09 -0.23 0.00 0.00 178.00 178.69 2j8h n ASN 164 N -3.20 0.81 0.00 1.44 3.02 -1.26 -4.94 115.26 111.13 2j8h n ASN 164 Ca -0.02 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 2j8h n ASN 164 Cb 0.17 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2j8h n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j8h n GLY 165 N 1.26 0.22 3.77 7.41 0.00 -0.57 -4.96 105.19 112.32 2j8h n GLY 165 Ca 0.15 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2j8h n GLY 165 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2j8h s VAL 166 N -0.91 2.91 0.31 1.61 -7.23 0.18 -4.66 120.40 112.62 2j8h s VAL 166 Ca 0.00 0.75 0.08 0.00 -1.81 0.00 0.00 61.98 61.00 2j8h s VAL 166 Cb 0.00 -3.41 -0.04 0.00 0.56 0.00 0.00 36.38 33.49 2j8h s VAL 166 CO 0.00 0.06 0.14 -1.61 -0.31 0.00 0.00 175.10 173.38 2j8h s GLU 167 N -2.42 2.47 0.41 4.82 2.02 -1.26 -0.34 118.70 124.39 2j8h s GLU 167 Ca 0.60 -1.43 0.09 0.00 0.02 0.00 0.00 54.97 54.24 2j8h s GLU 167 Cb -0.33 -2.26 0.88 0.00 0.10 0.00 0.00 34.13 32.52 2j8h s GLU 167 CO 0.41 0.19 2.02 0.00 0.02 0.00 0.00 175.26 177.91 2j8h h ARG 168 N 1.57 0.54 0.00 1.61 3.08 -1.96 -0.65 114.38 118.57 2j8h h ARG 168 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2j8h h ARG 168 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2j8h h ARG 168 CO 0.62 0.36 0.00 0.36 -1.07 0.00 0.00 179.97 180.24 2j8h n LYS 169 N -4.47 0.14 0.23 0.04 2.85 -1.26 -2.45 118.16 113.24 2j8h n LYS 169 Ca 0.06 0.39 0.15 0.00 -1.05 0.00 0.00 58.31 57.86 2j8h n LYS 169 Cb 0.17 -1.77 0.45 0.00 -0.65 0.00 0.00 35.03 33.23 2j8h n LYS 169 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2j8h h ASP 170 N 0.00 0.00 -2.73 -5.58 3.32 -1.51 -3.44 116.42 106.48 2j8h h ASP 170 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 2j8h h ASP 170 Cb 0.31 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.99 2j8h h ASP 170 CO 0.00 0.00 0.04 0.00 -1.72 0.00 0.00 179.24 177.56 2j8h n ALA 171 N -2.04 -0.29 0.00 3.45 0.00 -1.03 -4.85 120.51 115.75 2j8h n ALA 171 Ca 0.02 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2j8h n ALA 171 Cb 0.39 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2j8h n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j8h n GLY 172 N 1.32 0.36 3.25 0.00 0.00 -0.17 -4.97 105.19 104.96 2j8h n GLY 172 Ca 0.10 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 2j8h n GLY 172 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j8h s PHE 173 N -2.90 2.96 -0.12 1.61 0.40 -1.26 -0.50 117.98 118.16 2j8h s PHE 173 Ca 0.00 -1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 55.10 2j8h s PHE 173 Cb 0.00 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 2j8h s PHE 173 CO 0.00 -0.64 -0.03 0.71 0.70 0.00 0.00 175.22 175.96 2j8h s TYR 174 N 1.41 3.05 -0.18 0.36 1.51 0.26 -2.16 117.35 121.61 2j8h s TYR 174 Ca 0.04 -0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2j8h s TYR 174 Cb -0.15 -1.88 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 2j8h s TYR 174 CO -0.05 0.16 -0.08 0.08 -1.11 0.00 0.00 175.55 174.56 2j8h s VAL 175 N -0.16 3.32 -0.07 0.71 1.01 0.62 -0.32 120.40 125.51 2j8h s VAL 175 Ca 0.03 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2j8h s VAL 175 Cb -0.13 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2j8h s VAL 175 CO 0.02 0.47 -0.13 0.54 0.00 0.00 0.00 175.10 176.01 2j8h s VAL 176 N 0.88 3.17 -0.01 2.92 0.11 -0.47 -0.36 120.40 126.63 2j8h s VAL 176 Ca -0.02 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2j8h s VAL 176 Cb -0.15 -2.27 0.00 0.00 -1.53 0.00 0.00 36.38 32.44 2j8h s VAL 176 CO 0.01 0.58 -0.05 0.00 -3.33 0.00 0.00 175.10 172.30 2j8h s ALA 178 N 0.14 2.18 -0.04 0.00 0.00 0.45 -1.00 121.76 123.48 2j8h s ALA 178 Ca -0.01 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2j8h s ALA 178 Cb -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2j8h s ALA 178 CO -0.00 0.33 -0.09 0.15 0.00 0.00 0.00 175.76 176.15 2j8h s LYS 179 N 0.17 1.20 0.00 0.00 1.02 -0.32 -0.75 119.74 121.06 2j8h s LYS 179 Ca -0.14 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.54 2j8h s LYS 179 Cb -0.17 -1.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 2j8h s LYS 179 CO 0.07 0.05 0.00 0.27 -0.92 0.00 0.00 175.35 174.83 2j8h n ASN 180 N 3.60 0.00 0.27 2.83 0.23 -0.55 -0.33 115.26 121.31 2j8h n ASN 180 Ca -0.21 -0.91 0.18 0.00 -0.53 0.00 0.00 54.58 53.11 2j8h n ASN 180 Cb 0.53 0.00 0.85 0.00 -2.08 0.00 0.00 39.78 39.08 2j8h n ASN 180 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2j8h h ARG 181 N 0.00 0.00 -0.23 -3.83 0.11 -1.93 -2.41 114.38 106.08 2j8h h ARG 181 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2j8h h ARG 181 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2j8h h ARG 181 CO 0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 2j8h n PHE 182 N -2.87 0.27 0.00 4.08 3.72 -1.26 -5.03 117.46 116.37 2j8h n PHE 182 Ca -0.01 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 2j8h n PHE 182 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2j8h n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j8h n GLY 183 N 1.43 2.88 3.32 1.37 0.00 -0.91 -4.67 105.19 108.61 2j8h n GLY 183 Ca 0.17 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 2j8h n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j8h s ILE 184 N -2.00 2.28 0.02 -0.61 1.01 -1.26 -1.48 121.20 119.16 2j8h s ILE 184 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.67 2j8h s ILE 184 Cb 0.00 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 2j8h s ILE 184 CO 0.00 0.57 -0.06 -0.62 0.00 0.00 0.00 174.94 174.83 2j8h s ASP 185 N -0.37 0.72 0.04 3.58 2.15 0.07 -5.01 116.67 117.85 2j8h s ASP 185 Ca 0.03 -0.30 -0.01 0.00 0.43 0.00 0.00 52.55 52.69 2j8h s ASP 185 Cb -0.12 -0.02 -0.03 0.00 -0.30 0.00 0.00 42.92 42.45 2j8h s ASP 185 CO 0.02 -0.06 -0.01 0.00 -0.17 0.00 0.00 175.17 174.95 2j8h s GLN 186 N -0.79 0.49 0.07 4.34 -2.07 -1.26 -0.42 119.66 120.02 2j8h s GLN 186 Ca -0.04 -0.91 -0.07 0.00 -1.82 0.00 0.00 55.36 52.52 2j8h s GLN 186 Cb -0.06 0.17 -0.01 0.00 -1.09 0.00 0.00 33.01 32.03 2j8h s GLN 186 CO 0.00 -0.09 0.15 0.15 -1.32 0.00 0.00 175.29 174.18 2j8h s LYS 187 N -2.75 0.76 0.05 9.60 -0.14 -0.46 -4.98 119.74 121.82 2j8h s LYS 187 Ca -0.04 -0.92 0.07 0.00 -1.36 0.00 0.00 55.97 53.72 2j8h s LYS 187 Cb -0.01 0.31 -0.03 0.00 -1.68 0.00 0.00 37.83 36.42 2j8h s LYS 187 CO -0.06 -0.22 -0.18 0.99 -0.76 0.00 0.00 175.35 175.12 2j8h s THR 188 N -3.53 2.82 -0.10 2.17 2.01 -1.26 -1.36 115.64 116.39 2j8h s THR 188 Ca 0.03 -1.21 0.02 0.00 0.31 0.00 0.00 61.69 60.84 2j8h s THR 188 Cb 0.04 -2.20 0.01 0.00 0.01 0.00 0.00 72.50 70.36 2j8h s THR 188 CO -0.09 0.31 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.31 2j8h s VAL 189 N -0.95 1.45 -0.16 3.82 1.01 0.57 -0.75 120.40 125.39 2j8h s VAL 189 Ca 0.15 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 2j8h s VAL 189 Cb -0.11 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2j8h s VAL 189 CO 0.06 0.43 0.46 -0.70 0.00 0.00 0.00 175.10 175.35 2j8h s GLU 190 N 0.88 4.26 -0.19 2.72 2.12 -0.20 -0.57 118.70 127.72 2j8h s GLU 190 Ca -0.09 0.36 -0.06 0.00 0.36 0.00 0.00 54.97 55.54 2j8h s GLU 190 Cb -0.15 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 2j8h s GLU 190 CO 0.00 0.04 0.03 -1.17 -0.54 0.00 0.00 175.26 173.62 2j8h s LEU 191 N 1.04 3.57 0.12 2.70 2.96 0.35 -1.24 118.68 128.18 2j8h s LEU 191 Ca 0.23 -0.04 0.10 0.00 -0.22 0.00 0.00 54.13 54.21 2j8h s LEU 191 Cb -0.15 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2j8h s LEU 191 CO 0.09 0.13 -0.24 1.51 -1.32 0.00 0.00 176.35 176.52 2j8h s ASP 192 N 0.60 3.48 -0.13 3.68 -4.77 -0.65 -1.00 116.67 117.88 2j8h s ASP 192 Ca 0.01 -0.68 0.02 0.00 -3.30 0.00 0.00 52.55 48.61 2j8h s ASP 192 Cb -0.13 -0.32 0.01 0.00 -1.09 0.00 0.00 42.92 41.38 2j8h s ASP 192 CO 0.02 0.19 -0.19 -0.69 0.70 0.00 0.00 175.17 175.19 2j8h s VAL 193 N -1.06 1.83 0.12 2.11 1.01 -1.26 -0.95 120.40 122.20 2j8h s VAL 193 Ca 0.15 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2j8h s VAL 193 Cb -0.10 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2j8h s VAL 193 CO 0.07 0.51 0.13 0.00 0.00 0.00 0.00 175.10 175.80 2j8h s ALA 194 N 0.89 3.63 -2.00 5.51 0.00 0.78 -4.93 121.76 125.63 2j8h s ALA 194 Ca -0.07 -1.09 0.17 0.00 0.00 0.00 0.00 51.96 50.97 2j8h s ALA 194 Cb -0.15 -1.45 1.03 0.00 0.00 0.00 0.00 23.12 22.54 2j8h s ALA 194 CO -0.02 0.63 1.43 -0.25 0.00 0.00 0.00 175.76 177.55