#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j00 n PHE 6 N 0.00 0.00 -0.01 2.11 3.01 -1.26 -5.00 117.46 116.31 2j00 n PHE 6 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 2j00 n PHE 6 Cb 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.38 2j00 n PHE 6 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2j00 h GLU 7 N 0.00 -0.09 -5.16 -1.08 4.57 -1.47 -3.48 114.58 107.87 2j00 h GLU 7 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2j00 h GLU 7 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2j00 h GLU 7 CO 0.00 0.47 -0.27 -1.91 -1.18 0.00 0.00 179.01 176.13 2j00 n GLU 8 N -4.80 -1.80 -4.94 1.92 2.13 -1.22 -4.96 120.64 106.97 2j00 n GLU 8 Ca -0.07 1.77 -0.33 0.00 0.66 0.00 0.00 57.16 59.19 2j00 n GLU 8 Cb 0.30 -5.44 -0.16 0.00 0.27 0.00 0.00 31.44 26.41 2j00 n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2j00 s LYS 9 N -2.72 3.22 -0.08 5.31 2.20 0.22 -4.94 119.74 122.95 2j00 s LYS 9 Ca 0.13 -0.78 -0.23 0.00 -0.36 0.00 0.00 55.97 54.73 2j00 s LYS 9 Cb -0.04 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 2j00 s LYS 9 CO 0.71 0.18 0.70 0.00 -0.36 0.00 0.00 175.35 176.58 2j00 s MET 10 N 0.40 4.41 0.00 4.03 0.23 -1.26 -0.53 119.30 126.58 2j00 s MET 10 Ca -0.14 0.87 0.00 0.00 -1.03 0.00 0.00 55.69 55.39 2j00 s MET 10 Cb -0.17 -3.46 0.00 0.00 -1.53 0.00 0.00 34.83 29.67 2j00 s MET 10 CO 0.06 0.02 0.60 -0.89 -2.03 0.00 0.00 175.02 172.78 2j00 n ILE 11 N 3.91 0.00 -4.15 3.16 2.08 0.43 -4.92 119.36 119.87 2j00 n ILE 11 Ca -0.01 1.09 -0.11 0.00 0.56 0.00 0.00 62.75 64.28 2j00 n ILE 11 Cb 0.51 -2.06 -0.10 0.00 -0.75 0.00 0.00 39.64 37.24 2j00 n ILE 11 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2j00 s LEU 12 N -1.73 2.45 -0.03 1.39 -0.00 -1.18 -4.97 118.68 114.62 2j00 s LEU 12 Ca 0.00 -0.90 0.03 0.00 -0.00 0.00 0.00 54.13 53.26 2j00 s LEU 12 Cb 0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 46.19 46.09 2j00 s LEU 12 CO 0.00 -0.40 -0.11 -0.63 -0.00 0.00 0.00 176.35 175.21 2j00 s ILE 13 N -3.10 0.95 0.22 1.48 1.09 -1.26 -0.38 121.20 120.21 2j00 s ILE 13 Ca 0.07 -0.47 -0.03 0.00 -1.10 0.00 0.00 60.65 59.13 2j00 s ILE 13 Cb 0.02 -0.82 -0.03 0.00 -1.06 0.00 0.00 42.46 40.56 2j00 s ILE 13 CO -0.03 0.28 0.22 0.00 -0.10 0.00 0.00 174.94 175.31 2j00 s ARG 14 N 0.05 1.34 -0.46 2.79 1.70 0.24 -4.98 118.95 119.63 2j00 s ARG 14 Ca -0.01 -1.60 0.03 0.00 -0.47 0.00 0.00 55.73 53.68 2j00 s ARG 14 Cb -0.08 0.32 0.12 0.00 -0.57 0.00 0.00 34.95 34.74 2j00 s ARG 14 CO 0.01 -0.47 0.21 0.50 -1.08 0.00 0.00 175.30 174.46 2j00 s ARG 15 N -4.03 1.62 1.10 3.89 3.52 -1.26 -1.88 118.95 121.91 2j00 s ARG 15 Ca 0.36 -2.23 -0.17 0.00 -0.13 0.00 0.00 55.73 53.55 2j00 s ARG 15 Cb 0.05 -2.94 0.25 0.00 -1.56 0.00 0.00 34.95 30.75 2j00 s ARG 15 CO 0.13 -1.09 1.17 0.95 -0.81 0.00 0.00 175.30 175.65 2j00 s THR 16 N 0.20 1.76 -0.00 4.11 -4.23 -1.04 -4.91 115.64 111.53 2j00 s THR 16 Ca 0.16 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.45 2j00 s THR 16 Cb -0.24 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 70.99 2j00 s THR 16 CO -0.03 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.53 2j00 s ALA 17 N -3.27 -1.20 0.09 3.99 0.00 -1.26 -3.29 121.76 116.81 2j00 s ALA 17 Ca 0.71 0.65 0.03 0.00 0.00 0.00 0.00 51.96 53.36 2j00 s ALA 17 Cb -0.09 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2j00 s ALA 17 CO 0.55 -0.37 -0.10 -0.98 0.00 0.00 0.00 175.76 174.86 2j00 s ARG 18 N -1.72 0.80 0.10 0.00 1.70 0.08 -4.97 118.95 114.95 2j00 s ARG 18 Ca -0.10 -1.11 0.02 0.00 -0.47 0.00 0.00 55.73 54.07 2j00 s ARG 18 Cb -0.02 -0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 33.82 2j00 s ARG 18 CO 0.04 0.08 0.20 -1.64 -1.08 0.00 0.00 175.30 172.89 2j00 s MET 19 N -2.64 3.28 -0.24 3.89 -1.94 -1.26 -0.00 119.30 120.39 2j00 s MET 19 Ca 0.03 -0.58 -0.30 0.00 -1.71 0.00 0.00 55.69 53.14 2j00 s MET 19 Cb -0.04 -2.92 0.17 0.00 2.01 0.00 0.00 34.83 34.05 2j00 s MET 19 CO -0.00 0.56 1.24 -1.14 -0.01 0.00 0.00 175.02 175.67 2j00 s GLN 20 N -2.77 0.24 0.05 2.03 -0.44 -0.72 -4.91 119.66 113.14 2j00 s GLN 20 Ca 0.33 0.06 -0.30 0.00 -2.50 0.00 0.00 55.36 52.95 2j00 s GLN 20 Cb -0.12 0.11 -0.16 0.00 -1.64 0.00 0.00 33.01 31.21 2j00 s GLN 20 CO 0.27 -0.07 0.73 0.00 0.50 0.00 0.00 175.29 176.71 2j00 n ALA 21 N 0.59 -2.92 0.00 1.58 0.00 -1.26 -0.02 120.51 118.48 2j00 n ALA 21 Ca -0.03 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2j00 n ALA 21 Cb 0.59 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2j00 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j00 n GLY 22 N 1.36 2.58 0.00 0.00 0.00 -1.26 -4.92 105.19 102.95 2j00 n GLY 22 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2j00 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j00 n GLY 23 N 0.00 -1.77 3.88 -0.02 0.00 0.97 -5.13 105.19 103.11 2j00 n GLY 23 Ca 0.00 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 2j00 n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2j00 s ARG 24 N -1.62 3.61 -0.00 1.61 1.70 -1.26 -1.76 118.95 121.23 2j00 s ARG 24 Ca 0.00 -0.03 0.05 0.00 -0.47 0.00 0.00 55.73 55.28 2j00 s ARG 24 Cb 0.00 -3.08 -0.03 0.00 -0.57 0.00 0.00 34.95 31.27 2j00 s ARG 24 CO 0.00 0.65 -0.14 0.50 -1.08 0.00 0.00 175.30 175.23 2j00 s ARG 25 N -1.72 2.35 0.47 3.89 3.52 1.00 -4.93 118.95 123.54 2j00 s ARG 25 Ca 0.27 -0.81 0.07 0.00 -0.13 0.00 0.00 55.73 55.14 2j00 s ARG 25 Cb -0.13 -2.33 0.01 0.00 -1.56 0.00 0.00 34.95 30.93 2j00 s ARG 25 CO 0.16 0.59 0.42 -0.06 -0.81 0.00 0.00 175.30 175.59 2j00 s PHE 26 N -0.87 2.23 0.27 5.12 0.40 -1.26 -0.74 117.98 123.12 2j00 s PHE 26 Ca 0.14 -0.63 -0.21 0.00 -0.60 0.00 0.00 56.93 55.62 2j00 s PHE 26 Cb -0.11 -2.08 0.03 0.00 0.51 0.00 0.00 43.02 41.36 2j00 s PHE 26 CO 0.04 -0.33 0.73 0.50 0.70 0.00 0.00 175.22 176.86 2j00 s ARG 27 N -4.22 1.73 -0.02 0.44 3.52 -1.21 -4.84 118.95 114.35 2j00 s ARG 27 Ca 0.45 -0.94 0.01 0.00 -0.13 0.00 0.00 55.73 55.12 2j00 s ARG 27 Cb -0.03 0.60 0.01 0.00 -1.56 0.00 0.00 34.95 33.97 2j00 s ARG 27 CO 0.27 -0.79 -0.04 -0.06 -0.81 0.00 0.00 175.30 173.86 2j00 s PHE 28 N -3.87 0.53 -0.17 5.12 0.40 -0.78 -2.48 117.98 116.72 2j00 s PHE 28 Ca 0.11 -0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.28 2j00 s PHE 28 Cb -0.05 -0.43 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 2j00 s PHE 28 CO 0.06 -0.08 -0.01 0.20 0.70 0.00 0.00 175.22 176.09 2j00 s GLY 29 N 0.36 1.75 -0.09 4.36 0.00 -0.79 -1.63 107.32 111.29 2j00 s GLY 29 Ca -0.04 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.85 2j00 s GLY 29 CO -0.00 0.04 -0.18 0.00 0.00 0.00 0.00 173.10 172.95 2j00 s ALA 30 N 0.54 1.74 -0.25 3.20 0.00 0.40 -0.59 121.76 126.79 2j00 s ALA 30 Ca -0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2j00 s ALA 30 Cb -0.14 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 2j00 s ALA 30 CO 0.02 0.15 0.02 -1.17 0.00 0.00 0.00 175.76 174.78 2j00 s LEU 31 N 0.58 3.36 0.13 0.00 0.20 0.49 0.27 118.68 123.71 2j00 s LEU 31 Ca -0.15 -0.52 0.10 0.00 0.69 0.00 0.00 54.13 54.25 2j00 s LEU 31 Cb -0.17 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 2j00 s LEU 31 CO 0.05 -0.09 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.09 2j00 s VAL 32 N 1.49 1.99 -0.06 1.68 1.01 0.13 0.16 120.40 126.81 2j00 s VAL 32 Ca 0.04 -1.72 0.04 0.00 0.00 0.00 0.00 61.98 60.34 2j00 s VAL 32 Cb -0.16 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2j00 s VAL 32 CO -0.00 -0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.21 2j00 s VAL 33 N -1.28 2.95 -0.16 2.92 1.01 0.31 -1.10 120.40 125.05 2j00 s VAL 33 Ca 0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2j00 s VAL 33 Cb -0.09 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.19 2j00 s VAL 33 CO 0.06 0.58 0.07 -0.69 0.00 0.00 0.00 175.10 175.12 2j00 s VAL 34 N -0.59 0.05 0.05 2.92 1.01 0.01 -0.61 120.40 123.24 2j00 s VAL 34 Ca 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2j00 s VAL 34 Cb -0.11 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2j00 s VAL 34 CO 0.01 -0.22 -0.08 -0.83 0.00 0.00 0.00 175.10 173.98 2j00 s GLY 35 N 2.08 0.55 -0.10 4.51 0.00 -1.25 0.41 107.32 113.50 2j00 s GLY 35 Ca 0.02 -0.80 -0.25 0.00 0.00 0.00 0.00 44.72 43.68 2j00 s GLY 35 CO -0.08 -0.85 0.81 1.29 0.00 0.00 0.00 173.10 174.27 2j00 h ASP 36 N 4.44 -0.02 0.00 1.64 2.03 -1.41 -1.00 116.42 122.09 2j00 h ASP 36 Ca -0.36 -0.74 0.00 0.00 -0.73 0.00 0.00 57.03 55.20 2j00 h ASP 36 Cb 1.20 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2j00 h ASP 36 CO 0.41 0.78 0.00 0.54 -1.03 0.00 0.00 179.24 179.94 2j00 n ARG 37 N -4.71 0.00 0.00 4.15 1.74 -1.16 -4.74 116.66 111.94 2j00 n ARG 37 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2j00 n ARG 37 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 2j00 n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2j00 n GLN 38 N -0.18 -0.22 0.00 5.56 1.13 -1.26 -4.57 117.38 117.84 2j00 n GLN 38 Ca 0.00 -0.49 0.00 0.00 -1.94 0.00 0.00 57.00 54.57 2j00 n GLN 38 Cb 0.00 -0.85 0.00 0.00 0.11 0.00 0.00 30.24 29.50 2j00 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2j00 n GLY 39 N -0.06 1.30 2.92 1.08 0.00 -0.98 -4.85 105.19 104.61 2j00 n GLY 39 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2j00 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j00 s ARG 40 N 0.00 1.64 0.03 1.61 0.52 -1.26 0.19 118.95 121.68 2j00 s ARG 40 Ca 0.00 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.73 2j00 s ARG 40 Cb 0.00 -1.99 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 2j00 s ARG 40 CO 0.00 -0.37 -0.09 0.14 0.02 0.00 0.00 175.30 175.00 2j00 s VAL 41 N 1.60 0.66 0.03 3.52 -7.23 -1.16 -1.45 120.40 116.38 2j00 s VAL 41 Ca 0.02 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 2j00 s VAL 41 Cb -0.15 -0.64 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 2j00 s VAL 41 CO -0.08 -0.11 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.65 2j00 s GLY 42 N -0.99 0.66 -0.24 2.32 0.00 0.16 -1.01 107.32 108.22 2j00 s GLY 42 Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2j00 s GLY 42 CO 0.00 -0.68 -0.06 -2.27 0.00 0.00 0.00 173.10 170.09 2j00 s LEU 43 N -0.98 2.71 -0.08 0.66 2.96 -1.12 -0.81 118.68 122.03 2j00 s LEU 43 Ca 0.00 -1.22 0.04 0.00 -0.22 0.00 0.00 54.13 52.73 2j00 s LEU 43 Cb -0.07 -1.23 0.00 0.00 0.50 0.00 0.00 46.19 45.39 2j00 s LEU 43 CO 0.01 -0.23 -0.19 -0.83 -1.32 0.00 0.00 176.35 173.79 2j00 s GLY 44 N 1.35 1.08 -0.34 7.98 0.00 -0.25 -4.65 107.32 112.50 2j00 s GLY 44 Ca -0.06 -0.74 -0.09 0.00 0.00 0.00 0.00 44.72 43.83 2j00 s GLY 44 CO -0.06 -0.19 0.15 -0.12 0.00 0.00 0.00 173.10 172.88 2j00 s PHE 45 N 0.39 3.21 -0.15 1.90 5.36 -1.26 0.19 117.98 127.63 2j00 s PHE 45 Ca -0.15 -0.95 -0.04 0.00 -0.96 0.00 0.00 56.93 54.84 2j00 s PHE 45 Cb -0.16 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.14 2j00 s PHE 45 CO 0.06 -0.60 -0.02 0.20 -1.46 0.00 0.00 175.22 173.40 2j00 s GLY 46 N 1.53 1.75 -0.04 13.12 0.00 0.75 -4.77 107.32 119.67 2j00 s GLY 46 Ca 0.02 -0.81 0.06 0.00 0.00 0.00 0.00 44.72 43.99 2j00 s GLY 46 CO 0.05 -0.13 -0.22 0.54 0.00 0.00 0.00 173.10 173.34 2j00 s LYS 47 N 0.18 2.04 -0.24 2.90 3.01 -1.25 0.15 119.74 126.53 2j00 s LYS 47 Ca -0.01 -0.78 -0.35 0.00 -1.01 0.00 0.00 55.97 53.81 2j00 s LYS 47 Cb -0.13 -1.83 0.15 0.00 -1.01 0.00 0.00 37.83 35.01 2j00 s LYS 47 CO 0.02 0.39 1.28 0.00 0.51 0.00 0.00 175.35 177.55 2j00 s ALA 48 N -0.26 -2.12 0.42 5.17 0.00 -0.64 -4.82 121.76 119.51 2j00 s ALA 48 Ca 0.01 1.75 0.03 0.00 0.00 0.00 0.00 51.96 53.75 2j00 s ALA 48 Cb -0.11 -0.42 0.14 0.00 0.00 0.00 0.00 23.12 22.74 2j00 s ALA 48 CO 0.01 -0.52 0.93 -1.35 0.00 0.00 0.00 175.76 174.83 2j00 h PRO 49 N 2.02 0.00 -2.56 0.00 0.11 -1.88 -2.07 132.00 127.63 2j00 h PRO 49 Ca -0.07 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 2j00 h PRO 49 Cb 1.15 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.03 2j00 h PRO 49 CO 0.21 0.00 -0.16 -2.00 -0.21 0.00 0.00 178.00 175.84 2j00 s GLU 50 N -3.38 0.54 0.03 1.05 2.56 -1.26 -4.72 118.70 113.53 2j00 s GLU 50 Ca -0.00 0.71 -0.07 0.00 0.00 0.00 0.00 54.97 55.61 2j00 s GLU 50 Cb 0.01 0.23 -0.02 0.00 2.00 0.00 0.00 34.13 36.35 2j00 s GLU 50 CO 0.02 -0.08 0.55 0.28 -0.56 0.00 0.00 175.26 175.47 2j00 n VAL 51 N 3.08 -0.15 -0.02 3.70 0.31 -1.26 -0.59 118.33 123.40 2j00 n VAL 51 Ca -0.15 0.85 -0.10 0.00 -0.01 0.00 0.00 64.34 64.93 2j00 n VAL 51 Cb 0.57 -1.08 -0.07 0.00 -0.91 0.00 0.00 33.84 32.34 2j00 n VAL 51 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2j00 h PRO 52 N 0.00 -0.37 -0.71 5.55 0.11 -1.97 0.34 132.00 134.94 2j00 h PRO 52 Ca 0.03 0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.30 2j00 h PRO 52 Cb 0.09 0.09 -0.13 0.00 0.11 0.00 0.00 31.00 31.15 2j00 h PRO 52 CO -0.20 -0.25 -0.30 -0.07 -0.21 0.00 0.00 178.00 176.97 2j00 h LEU 53 N -0.39 -1.06 0.02 2.35 3.38 -1.24 0.75 115.31 119.13 2j00 h LEU 53 Ca 0.03 0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.24 2j00 h LEU 53 Cb 0.47 0.57 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2j00 h LEU 53 CO -0.32 -0.29 -0.21 0.00 0.09 0.00 0.00 178.44 177.72 2j00 h ALA 54 N 1.30 -0.70 -0.32 1.53 0.00 0.43 -1.83 119.26 119.67 2j00 h ALA 54 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2j00 h ALA 54 Cb 0.56 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2j00 h ALA 54 CO -0.76 -0.75 0.00 0.28 0.00 0.00 0.00 179.25 178.02 2j00 n VAL 55 N -3.63 0.00 -0.26 0.00 0.31 0.11 -1.45 118.33 113.41 2j00 n VAL 55 Ca -0.03 0.98 -0.07 0.00 -0.01 0.00 0.00 64.34 65.21 2j00 n VAL 55 Cb 0.16 -1.32 -0.06 0.00 -0.91 0.00 0.00 33.84 31.70 2j00 n VAL 55 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2j00 h GLN 56 N 0.00 -0.02 -1.00 5.55 -0.00 -0.94 0.20 115.11 118.91 2j00 h GLN 56 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 58.65 58.95 2j00 h GLN 56 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 27.48 27.34 2j00 h GLN 56 CO 0.00 -0.01 0.56 0.87 0.00 0.00 0.00 178.83 180.25 2j00 h LYS 57 N -0.02 0.37 -0.12 1.69 1.57 -0.42 1.01 116.57 120.65 2j00 h LYS 57 Ca 0.10 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2j00 h LYS 57 Cb 0.27 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2j00 h LYS 57 CO -0.59 0.24 -0.07 0.00 -0.57 0.00 0.00 179.45 178.46 2j00 h ALA 58 N 1.82 0.03 0.53 3.86 0.00 0.54 0.54 119.26 126.59 2j00 h ALA 58 Ca 0.71 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.65 2j00 h ALA 58 Cb 1.55 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2j00 h ALA 58 CO -0.58 -0.52 -0.48 0.78 0.00 0.00 0.00 179.25 178.45 2j00 h GLY 59 N -0.06 -1.26 -0.30 0.00 0.00 0.16 0.36 103.07 101.97 2j00 h GLY 59 Ca 0.07 0.57 0.04 0.00 0.00 0.00 0.00 47.33 48.01 2j00 h GLY 59 CO -0.16 -0.38 -0.55 -1.82 0.00 0.00 0.00 176.54 173.63 2j00 h TYR 60 N -1.00 -1.67 -0.72 5.60 3.20 -0.55 0.34 116.97 122.18 2j00 h TYR 60 Ca -0.07 0.07 0.15 0.00 3.14 0.00 0.00 58.73 62.03 2j00 h TYR 60 Cb 0.85 0.77 -0.05 0.00 1.54 0.00 0.00 36.73 39.84 2j00 h TYR 60 CO -0.22 -0.51 0.49 1.88 -1.64 0.00 0.00 178.16 178.15 2j00 h TYR 61 N -0.47 0.41 0.30 -3.82 0.05 0.22 -2.46 116.97 111.20 2j00 h TYR 61 Ca 0.06 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 2j00 h TYR 61 Cb 0.63 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2j00 h TYR 61 CO -0.67 0.16 -0.14 0.00 -1.05 0.00 0.00 178.16 176.45 2j00 h ALA 62 N 1.66 -0.96 -0.97 3.88 0.00 0.36 -2.85 119.26 120.37 2j00 h ALA 62 Ca 0.35 -0.09 0.32 0.00 0.00 0.00 0.00 54.91 55.49 2j00 h ALA 62 Cb 0.87 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.66 2j00 h ALA 62 CO -0.10 -0.93 0.39 0.00 0.00 0.00 0.00 179.25 178.61 2j00 h ARG 63 N -0.45 0.15 0.00 0.00 3.08 -0.81 3.34 114.38 119.69 2j00 h ARG 63 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2j00 h ARG 63 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2j00 h ARG 63 CO 0.07 0.10 0.00 -2.13 -1.07 0.00 0.00 179.97 176.94 2j00 n ARG 64 N -5.22 0.11 -3.52 0.04 0.63 -0.95 -4.05 116.66 103.70 2j00 n ARG 64 Ca 0.30 0.22 -0.29 0.00 -0.92 0.00 0.00 57.85 57.16 2j00 n ARG 64 Cb 0.96 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 32.22 2j00 n ARG 64 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2j00 s ASN 65 N -2.66 3.40 0.37 6.15 2.47 1.11 -5.08 114.94 120.70 2j00 s ASN 65 Ca 0.08 -1.43 0.06 0.00 0.42 0.00 0.00 52.86 51.99 2j00 s ASN 65 Cb 0.06 -0.34 -0.03 0.00 -1.45 0.00 0.00 41.25 39.50 2j00 s ASN 65 CO 0.15 -0.42 0.22 -0.04 -3.72 0.00 0.00 177.10 173.29 2j00 s MET 66 N 1.94 1.86 -0.14 0.43 -1.94 -1.25 -2.78 119.30 117.41 2j00 s MET 66 Ca 0.11 -2.11 -0.21 0.00 -1.71 0.00 0.00 55.69 51.77 2j00 s MET 66 Cb -0.17 -0.09 0.05 0.00 2.01 0.00 0.00 34.83 36.63 2j00 s MET 66 CO -0.31 -0.59 0.54 0.54 -0.01 0.00 0.00 175.02 175.19 2j00 s VAL 67 N -3.33 0.01 -0.85 -6.03 0.11 -0.18 -4.96 120.40 105.18 2j00 s VAL 67 Ca 0.32 -0.08 -0.25 0.00 -2.93 0.00 0.00 61.98 59.04 2j00 s VAL 67 Cb 0.02 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2j00 s VAL 67 CO 0.22 -0.05 1.51 -1.83 -3.33 0.00 0.00 175.10 171.62 2j00 s GLU 68 N -0.31 3.18 -0.61 1.54 -1.05 -1.25 -2.96 118.70 117.23 2j00 s GLU 68 Ca -0.05 -0.46 -0.27 0.00 -0.15 0.00 0.00 54.97 54.04 2j00 s GLU 68 Cb -0.03 -4.76 0.01 0.00 -0.44 0.00 0.00 34.13 28.90 2j00 s GLU 68 CO 0.03 -2.42 1.50 0.08 0.95 0.00 0.00 175.26 175.41 2j00 s VAL 69 N 6.49 3.65 -0.78 1.83 1.01 0.51 -4.91 120.40 128.20 2j00 s VAL 69 Ca 0.48 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.70 2j00 s VAL 69 Cb -0.05 -4.41 -0.19 0.00 0.00 0.00 0.00 36.38 31.73 2j00 s VAL 69 CO 0.04 -1.25 1.89 -0.81 0.00 0.00 0.00 175.10 174.97 2j00 n PRO 70 N 8.95 1.09 -0.30 2.72 -0.04 -1.26 -4.49 135.00 141.67 2j00 n PRO 70 Ca 0.12 -1.86 -0.30 0.00 -0.04 0.00 0.00 63.50 61.42 2j00 n PRO 70 Cb 0.50 -3.20 0.29 0.00 -0.04 0.00 0.00 33.50 31.05 2j00 n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2j00 n LEU 71 N 11.25 0.00 -3.15 1.53 4.77 -1.26 -4.35 117.00 125.78 2j00 n LEU 71 Ca 0.47 -0.90 0.05 0.00 -0.03 0.00 0.00 56.01 55.60 2j00 n LEU 71 Cb 0.43 -0.99 -0.01 0.00 -2.33 0.00 0.00 43.42 40.52 2j00 n LEU 71 CO 0.91 -2.78 0.58 -1.10 -1.33 0.00 0.00 177.39 173.67 2j00 s GLN 72 N -5.11 0.16 0.00 3.23 -0.21 -0.74 -4.87 119.66 112.12 2j00 s GLN 72 Ca 0.67 0.24 0.00 0.00 0.02 0.00 0.00 55.36 56.29 2j00 s GLN 72 Cb -0.11 0.13 0.00 0.00 1.00 0.00 0.00 33.01 34.03 2j00 s GLN 72 CO 0.56 -0.22 0.00 -1.71 -2.12 0.00 0.00 175.29 171.80 2j00 n ASN 73 N 5.36 0.00 0.00 5.90 4.05 -1.26 -1.83 115.26 127.48 2j00 n ASN 73 Ca -0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.01 2j00 n ASN 73 Cb 0.55 -1.53 0.00 0.00 1.23 0.00 0.00 39.78 40.03 2j00 n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2j00 n GLY 74 N -2.00 1.06 3.39 8.20 0.00 -1.26 -4.92 105.19 109.66 2j00 n GLY 74 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2j00 n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2j00 s THR 75 N -2.00 0.23 0.60 2.61 -1.32 -0.76 0.11 115.64 115.11 2j00 s THR 75 Ca 0.00 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 58.34 2j00 s THR 75 Cb 0.00 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.54 2j00 s THR 75 CO 0.00 0.00 1.03 -0.51 -2.21 0.00 0.00 174.62 172.93 2j00 s ILE 76 N -3.33 4.25 0.27 5.08 2.07 -1.26 -1.80 121.20 126.48 2j00 s ILE 76 Ca 0.33 0.91 0.05 0.00 -1.41 0.00 0.00 60.65 60.53 2j00 s ILE 76 Cb 0.02 -3.58 0.01 0.00 0.13 0.00 0.00 42.46 39.04 2j00 s ILE 76 CO 0.22 -0.78 1.66 1.55 -1.91 0.00 0.00 174.94 175.68 2j00 h PRO 77 N 0.13 0.27 -2.56 3.50 0.13 -1.84 -3.44 132.00 128.19 2j00 h PRO 77 Ca -0.45 -0.14 0.14 0.00 -0.87 0.00 0.00 66.00 64.67 2j00 h PRO 77 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2j00 h PRO 77 CO 0.59 0.67 0.42 -3.38 -0.23 0.00 0.00 178.00 176.08 2j00 s HIS 78 N -4.06 -0.10 0.33 1.56 -3.43 -1.26 -5.02 115.29 103.30 2j00 s HIS 78 Ca -0.05 -0.28 -0.28 0.00 -0.80 0.00 0.00 55.06 53.66 2j00 s HIS 78 Cb 0.13 0.68 -0.09 0.00 -1.43 0.00 0.00 32.58 31.86 2j00 s HIS 78 CO 0.78 -0.99 1.13 -1.21 -2.00 0.00 0.00 174.74 172.45 2j00 s GLU 79 N -3.23 4.43 -0.15 -0.38 8.01 -1.26 -4.63 118.70 121.48 2j00 s GLU 79 Ca 0.13 1.81 -0.13 0.00 0.01 0.00 0.00 54.97 56.80 2j00 s GLU 79 Cb -0.03 -2.98 0.04 0.00 -4.31 0.00 0.00 34.13 26.85 2j00 s GLU 79 CO 0.04 0.02 0.40 0.96 0.01 0.00 0.00 175.26 176.69 2j00 s ILE 80 N -1.28 -0.01 -0.13 -1.63 -4.36 0.04 -4.98 121.20 108.85 2j00 s ILE 80 Ca 0.49 0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.92 2j00 s ILE 80 Cb -0.31 -0.57 -0.01 0.00 1.25 0.00 0.00 42.46 42.82 2j00 s ILE 80 CO 0.40 0.01 -0.16 -1.61 0.24 0.00 0.00 174.94 173.82 2j00 s GLU 81 N 0.52 3.29 -0.13 0.37 2.02 -1.26 -0.42 118.70 123.09 2j00 s GLU 81 Ca -0.03 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 2j00 s GLU 81 Cb -0.04 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.67 2j00 s GLU 81 CO -0.03 0.18 0.02 0.08 0.02 0.00 0.00 175.26 175.53 2j00 s VAL 82 N 0.41 0.45 -0.18 2.63 1.01 -0.12 -4.97 120.40 119.63 2j00 s VAL 82 Ca -0.12 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2j00 s VAL 82 Cb -0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2j00 s VAL 82 CO 0.06 0.03 0.45 -1.61 0.00 0.00 0.00 175.10 174.03 2j00 s GLU 83 N 1.92 4.21 -0.40 2.72 2.02 -1.26 -2.09 118.70 125.83 2j00 s GLU 83 Ca 0.02 0.32 0.01 0.00 0.02 0.00 0.00 54.97 55.34 2j00 s GLU 83 Cb -0.15 -3.52 0.14 0.00 0.10 0.00 0.00 34.13 30.70 2j00 s GLU 83 CO -0.07 -0.03 0.22 0.12 0.02 0.00 0.00 175.26 175.52 2j00 s PHE 84 N 1.28 1.39 0.00 1.61 5.36 0.31 -4.99 117.98 122.93 2j00 s PHE 84 Ca 0.22 -2.03 0.00 0.00 -0.96 0.00 0.00 56.93 54.16 2j00 s PHE 84 Cb -0.15 -1.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 2j00 s PHE 84 CO 0.09 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.45 2j00 n GLY 85 N 3.81 0.54 0.18 13.12 0.00 -1.26 -3.10 105.19 118.48 2j00 n GLY 85 Ca 0.10 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 2j00 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j00 h ALA 86 N -0.08 0.75 -2.28 4.61 0.00 -1.97 -3.45 119.26 116.84 2j00 h ALA 86 Ca 0.00 -0.55 -0.48 0.00 0.00 0.00 0.00 54.91 53.89 2j00 h ALA 86 Cb 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.74 2j00 h ALA 86 CO 0.00 0.72 0.38 -1.12 0.00 0.00 0.00 179.25 179.23 2j00 s SER 87 N -6.92 6.26 0.11 0.00 0.01 -1.18 -2.88 113.70 109.09 2j00 s SER 87 Ca -0.05 1.80 -0.03 0.00 1.31 0.00 0.00 55.95 58.97 2j00 s SER 87 Cb 0.11 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2j00 s SER 87 CO 0.82 -0.84 0.08 -0.75 0.41 0.00 0.00 173.24 172.96 2j00 s LYS 88 N -3.69 0.87 -0.28 12.44 2.20 0.50 -0.53 119.74 131.26 2j00 s LYS 88 Ca 0.64 -1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 54.71 2j00 s LYS 88 Cb -0.14 0.26 0.10 0.00 -1.51 0.00 0.00 37.83 36.54 2j00 s LYS 88 CO 0.27 -0.24 0.87 -1.50 -0.36 0.00 0.00 175.35 174.39 2j00 s ILE 89 N -3.98 0.00 0.01 5.43 2.07 -0.89 -1.74 121.20 122.10 2j00 s ILE 89 Ca 0.17 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.45 2j00 s ILE 89 Cb 0.07 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 2j00 s ILE 89 CO -0.03 0.00 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.21 2j00 s VAL 90 N 0.31 3.39 -0.17 4.00 1.01 -0.76 -0.94 120.40 127.25 2j00 s VAL 90 Ca 0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2j00 s VAL 90 Cb -0.05 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.94 2j00 s VAL 90 CO -0.03 0.40 0.08 -0.76 0.00 0.00 0.00 175.10 174.79 2j00 s LEU 91 N -1.36 0.49 -0.15 3.92 1.02 0.44 -2.81 118.68 120.23 2j00 s LEU 91 Ca 0.16 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 53.69 2j00 s LEU 91 Cb -0.11 -0.31 0.01 0.00 0.02 0.00 0.00 46.19 45.81 2j00 s LEU 91 CO 0.06 -0.34 -0.21 -0.54 0.02 0.00 0.00 176.35 175.35 2j00 s LYS 92 N 2.09 2.90 0.08 1.70 1.02 0.26 -0.78 119.74 127.01 2j00 s LYS 92 Ca 0.01 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 54.89 2j00 s LYS 92 Cb -0.16 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.68 2j00 s LYS 92 CO -0.09 -0.07 1.43 -1.25 -0.92 0.00 0.00 175.35 174.45 2j00 s PRO 93 N 0.97 4.29 0.09 -1.68 0.04 -1.26 0.27 135.00 137.71 2j00 s PRO 93 Ca -0.04 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.13 2j00 s PRO 93 Cb -0.15 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 2j00 s PRO 93 CO -0.05 -0.52 0.01 0.00 0.04 0.00 0.00 177.00 176.48 2j00 s ALA 94 N 1.68 3.34 0.59 8.56 0.00 -1.25 -4.81 121.76 129.87 2j00 s ALA 94 Ca 0.66 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 2j00 s ALA 94 Cb -0.36 -1.24 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 2j00 s ALA 94 CO 0.29 0.71 0.80 0.00 0.00 0.00 0.00 175.76 177.56 2j00 n ALA 95 N 0.56 -0.34 -1.21 0.00 0.00 -1.26 -4.66 120.51 113.59 2j00 n ALA 95 Ca -0.10 -0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 2j00 n ALA 95 Cb 0.52 -2.00 0.05 0.00 0.00 0.00 0.00 19.45 18.02 2j00 n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2j00 n PRO 96 N -0.64 0.18 -3.51 0.00 -0.02 -1.26 -2.96 135.00 126.80 2j00 n PRO 96 Ca 0.13 0.09 -0.22 0.00 -2.02 0.00 0.00 63.50 61.48 2j00 n PRO 96 Cb 0.47 -1.55 0.07 0.00 -0.02 0.00 0.00 33.50 32.48 2j00 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2j00 n GLY 97 N 2.07 -0.43 0.34 -1.23 0.00 -1.26 -4.94 105.19 99.74 2j00 n GLY 97 Ca 0.08 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.11 2j00 n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2j00 n THR 98 N -4.81 1.25 0.00 2.61 -1.04 -1.15 -5.14 114.28 106.00 2j00 n THR 98 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2j00 n THR 98 Cb 0.56 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 2j00 n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2j00 n GLY 99 N 1.78 3.13 3.18 3.41 0.00 -1.24 -4.94 105.19 110.51 2j00 n GLY 99 Ca -0.31 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 2j00 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j00 s VAL 100 N -2.18 4.77 -0.93 1.61 1.01 -1.22 -1.19 120.40 122.27 2j00 s VAL 100 Ca 0.00 -3.49 -0.21 0.00 0.00 0.00 0.00 61.98 58.27 2j00 s VAL 100 Cb 0.00 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.52 2j00 s VAL 100 CO 0.00 -1.07 1.27 0.27 0.00 0.00 0.00 175.10 175.56 2j00 s ILE 101 N -0.99 4.27 0.21 2.22 -0.00 -0.89 -4.94 121.20 121.08 2j00 s ILE 101 Ca 0.26 -0.98 -0.18 0.00 -0.00 0.00 0.00 60.65 59.74 2j00 s ILE 101 Cb -0.10 -4.90 0.03 0.00 -0.00 0.00 0.00 42.46 37.48 2j00 s ILE 101 CO -0.10 -1.72 0.56 0.00 -0.00 0.00 0.00 174.94 173.68 2j00 s ALA 102 N 4.02 -1.00 0.61 2.27 0.00 -1.26 -1.88 121.76 124.52 2j00 s ALA 102 Ca 0.38 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.99 2j00 s ALA 102 Cb -0.04 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2j00 s ALA 102 CO -0.06 -0.84 1.05 0.20 0.00 0.00 0.00 175.76 176.11 2j00 s GLY 103 N -2.88 1.98 0.00 0.00 0.00 -1.26 -4.67 107.32 100.50 2j00 s GLY 103 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.09 2j00 s GLY 103 CO -0.02 0.58 0.00 0.00 0.00 0.00 0.00 173.10 173.66 2j00 n ALA 104 N -2.29 0.00 -0.35 3.20 0.00 -1.26 -2.29 120.51 117.52 2j00 n ALA 104 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2j00 n ALA 104 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2j00 n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2j00 n VAL 105 N -3.97 0.00 -0.19 0.00 0.31 -1.26 -1.61 118.33 111.61 2j00 n VAL 105 Ca 0.00 1.13 0.30 0.00 -0.01 0.00 0.00 64.34 65.76 2j00 n VAL 105 Cb 0.00 -2.06 0.66 0.00 -0.91 0.00 0.00 33.84 31.52 2j00 n VAL 105 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2j00 h PRO 106 N 0.00 0.00 0.00 5.55 0.13 -1.82 -1.84 132.00 134.03 2j00 h PRO 106 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2j00 h PRO 106 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2j00 h PRO 106 CO 0.00 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 175.64 2j00 n ARG 107 N -3.70 0.00 -0.18 0.86 0.63 -0.99 0.13 116.66 113.41 2j00 n ARG 107 Ca 0.21 0.09 0.16 0.00 -0.92 0.00 0.00 57.85 57.39 2j00 n ARG 107 Cb 1.20 -0.87 0.30 0.00 0.45 0.00 0.00 32.46 33.54 2j00 n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j00 n ALA 108 N -0.77 0.52 -0.05 5.13 0.00 -0.63 0.23 120.51 124.93 2j00 n ALA 108 Ca 0.00 0.57 -0.14 0.00 0.00 0.00 0.00 53.44 53.88 2j00 n ALA 108 Cb 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 2j00 n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2j00 h ILE 109 N 0.00 1.67 0.00 0.00 2.04 -1.42 -3.29 117.51 116.50 2j00 h ILE 109 Ca 0.45 -2.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.26 2j00 h ILE 109 Cb 1.15 3.03 -0.01 0.00 -0.74 0.00 0.00 36.82 40.25 2j00 h ILE 109 CO -0.45 0.52 -0.23 -0.07 0.00 0.00 0.00 178.15 177.92 2j00 h LEU 110 N -0.86 0.00 0.56 1.44 3.38 0.71 -1.00 115.31 119.54 2j00 h LEU 110 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2j00 h LEU 110 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2j00 h LEU 110 CO 0.00 0.23 -0.30 -0.33 0.09 0.00 0.00 178.44 178.13 2j00 h GLU 111 N 0.00 -0.77 0.00 1.13 5.08 0.10 -1.49 114.58 118.64 2j00 h GLU 111 Ca -0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2j00 h GLU 111 Cb 0.59 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2j00 h GLU 111 CO 0.03 -0.51 0.00 -0.07 -1.00 0.00 0.00 179.01 177.46 2j00 h LEU 112 N -0.80 0.00 -1.44 1.33 3.38 -1.61 -1.43 115.31 114.74 2j00 h LEU 112 Ca -0.07 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2j00 h LEU 112 Cb 0.63 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2j00 h LEU 112 CO 0.10 0.00 0.46 0.00 0.09 0.00 0.00 178.44 179.09 2j00 h ALA 113 N 2.01 1.78 0.00 1.53 0.00 -0.12 -3.07 119.26 121.39 2j00 h ALA 113 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2j00 h ALA 113 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2j00 h ALA 113 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2j00 n GLY 114 N -1.46 1.88 3.77 0.00 0.00 -0.54 -2.32 105.19 106.51 2j00 n GLY 114 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2j00 n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2j00 s VAL 115 N -2.06 2.81 -0.01 1.61 -7.23 -1.16 -4.86 120.40 109.51 2j00 s VAL 115 Ca 0.00 0.69 0.01 0.00 -1.81 0.00 0.00 61.98 60.86 2j00 s VAL 115 Cb 0.00 -3.39 -0.01 0.00 0.56 0.00 0.00 36.38 33.54 2j00 s VAL 115 CO 0.00 0.07 0.02 0.41 -0.31 0.00 0.00 175.10 175.29 2j00 n THR 116 N -0.05 0.00 -3.66 5.32 -1.04 0.30 -4.57 114.28 110.58 2j00 n THR 116 Ca 0.05 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.05 61.76 2j00 n THR 116 Cb 0.45 0.55 -0.18 0.00 -1.82 0.00 0.00 70.33 69.33 2j00 n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2j00 s ASP 117 N -1.96 1.48 -0.28 8.00 1.01 -0.91 -3.39 116.67 120.63 2j00 s ASP 117 Ca -0.00 -0.11 -0.23 0.00 0.71 0.00 0.00 52.55 52.91 2j00 s ASP 117 Cb 0.01 -0.18 0.10 0.00 1.01 0.00 0.00 42.92 43.85 2j00 s ASP 117 CO 0.03 -0.27 0.89 -0.51 0.21 0.00 0.00 175.17 175.52 2j00 s ILE 118 N 2.15 0.00 -0.18 0.77 1.10 -0.34 -3.78 121.20 120.93 2j00 s ILE 118 Ca 0.04 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 60.10 2j00 s ILE 118 Cb -0.13 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.43 2j00 s ILE 118 CO -0.05 0.00 0.11 -0.76 -2.11 0.00 0.00 174.94 172.14 2j00 s LEU 119 N 0.50 4.15 0.00 8.50 1.43 0.77 -2.10 118.68 131.93 2j00 s LEU 119 Ca -0.00 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2j00 s LEU 119 Cb -0.05 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 2j00 s LEU 119 CO -0.06 0.23 0.04 0.35 0.23 0.00 0.00 176.35 177.15 2j00 n THR 120 N 3.16 0.00 0.00 5.49 -2.24 -0.79 0.92 114.28 120.82 2j00 n THR 120 Ca -0.17 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2j00 n THR 120 Cb 0.53 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2j00 n THR 120 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2j00 n LYS 121 N -0.11 0.00 -3.14 -0.78 3.00 -1.13 -4.87 118.16 111.13 2j00 n LYS 121 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.93 2j00 n LYS 121 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.08 2j00 n LYS 121 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2j00 s GLU 122 N -0.10 4.39 0.14 1.64 2.02 -1.26 -1.82 118.70 123.71 2j00 s GLU 122 Ca 0.00 0.72 0.09 0.00 0.02 0.00 0.00 54.97 55.80 2j00 s GLU 122 Cb 0.00 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 2j00 s GLU 122 CO 0.00 0.07 -0.20 -0.51 0.02 0.00 0.00 175.26 174.64 2j00 s LEU 123 N 0.84 2.38 0.00 1.80 1.43 -0.71 -4.98 118.68 119.44 2j00 s LEU 123 Ca 0.33 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2j00 s LEU 123 Cb -0.17 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.16 2j00 s LEU 123 CO 0.15 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.36 2j00 n GLY 124 N 0.60 0.40 3.71 -3.19 0.00 -1.26 -0.37 105.19 105.09 2j00 n GLY 124 Ca -0.16 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 2j00 n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2j00 n SER 125 N -0.67 3.85 -0.79 1.61 2.88 -1.14 -4.84 113.62 114.51 2j00 n SER 125 Ca 0.00 1.07 0.07 0.00 -1.33 0.00 0.00 58.87 58.68 2j00 n SER 125 Cb 0.00 -1.55 0.19 0.00 -0.75 0.00 0.00 64.21 62.09 2j00 n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2j00 n ARG 126 N 3.74 2.00 -1.59 -1.46 1.74 -1.26 -4.28 116.66 115.54 2j00 n ARG 126 Ca 0.16 -1.54 -0.49 0.00 -0.77 0.00 0.00 57.85 55.21 2j00 n ARG 126 Cb 0.34 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 2j00 n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2j00 n ASN 127 N 0.74 1.64 0.00 0.55 2.85 -1.26 -4.82 115.26 114.96 2j00 n ASN 127 Ca 0.14 1.13 0.00 0.00 -0.11 0.00 0.00 54.58 55.75 2j00 n ASN 127 Cb 0.37 -1.24 0.00 0.00 1.24 0.00 0.00 39.78 40.15 2j00 n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2j00 n PRO 128 N 2.05 0.00 -0.10 1.20 -0.02 -1.26 -0.93 135.00 135.94 2j00 n PRO 128 Ca 0.16 0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.76 2j00 n PRO 128 Cb 0.24 -0.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.77 2j00 n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2j00 n ILE 129 N -0.57 -0.17 -0.34 4.25 5.41 -1.26 0.14 119.36 126.82 2j00 n ILE 129 Ca 0.00 0.72 -0.04 0.00 1.00 0.00 0.00 62.75 64.43 2j00 n ILE 129 Cb 0.00 -0.90 0.09 0.00 -0.71 0.00 0.00 39.64 38.12 2j00 n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2j00 h ASN 130 N 0.00 1.13 -0.40 4.38 2.35 -1.94 -0.66 115.58 120.44 2j00 h ASN 130 Ca 0.04 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 2j00 h ASN 130 Cb 0.10 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2j00 h ASN 130 CO -0.23 0.91 -0.10 0.40 -1.65 0.00 0.00 177.43 176.76 2j00 h ILE 131 N 1.27 1.26 0.00 2.81 1.08 0.31 0.17 117.51 124.41 2j00 h ILE 131 Ca 0.32 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 2j00 h ILE 131 Cb 0.02 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 2j00 h ILE 131 CO -0.05 0.41 0.00 0.00 -0.69 0.00 0.00 178.15 177.82 2j00 n ALA 132 N -2.49 -0.01 -0.09 1.87 0.00 0.21 0.72 120.51 120.72 2j00 n ALA 132 Ca 0.02 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.70 2j00 n ALA 132 Cb 0.37 0.11 0.49 0.00 0.00 0.00 0.00 19.45 20.42 2j00 n ALA 132 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2j00 h TYR 133 N 0.00 0.00 -0.03 0.00 -1.99 -1.14 0.83 116.97 114.65 2j00 h TYR 133 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2j00 h TYR 133 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 2j00 h TYR 133 CO -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.14 2j00 h ALA 134 N 0.74 0.04 -0.22 3.88 0.00 0.21 -2.90 119.26 121.01 2j00 h ALA 134 Ca 0.37 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2j00 h ALA 134 Cb 2.38 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.11 2j00 h ALA 134 CO -0.00 -0.24 -0.06 1.15 0.00 0.00 0.00 179.25 180.09 2j00 h THR 135 N -0.34 0.76 0.00 0.00 2.02 0.67 -2.41 112.91 113.61 2j00 h THR 135 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2j00 h THR 135 Cb 0.43 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2j00 h THR 135 CO 0.00 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.12 2j00 n MET 136 N -5.22 0.00 -0.14 6.66 2.00 -0.99 -0.67 117.12 118.76 2j00 n MET 136 Ca -0.02 0.65 0.27 0.00 0.00 0.00 0.00 57.70 58.60 2j00 n MET 136 Cb 0.14 -1.33 0.55 0.00 0.00 0.00 0.00 33.22 32.59 2j00 n MET 136 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2j00 h GLU 137 N 0.00 0.00 0.47 0.03 4.39 -1.49 0.42 114.58 118.40 2j00 h GLU 137 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2j00 h GLU 137 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2j00 h GLU 137 CO 0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 179.01 177.62 2j00 h ALA 138 N 0.86 -0.94 0.19 3.43 0.00 -0.37 -2.99 119.26 119.44 2j00 h ALA 138 Ca 0.42 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2j00 h ALA 138 Cb 2.38 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 20.38 2j00 h ALA 138 CO -0.00 -0.90 -0.51 -0.07 0.00 0.00 0.00 179.25 177.77 2j00 h LEU 139 N -0.77 -1.50 0.00 0.00 3.38 0.65 -0.86 115.31 116.21 2j00 h LEU 139 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2j00 h LEU 139 Cb 0.49 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2j00 h LEU 139 CO 0.11 -0.57 0.10 -1.14 0.09 0.00 0.00 178.44 177.03 2j00 n ARG 140 N -5.50 0.00 -0.04 1.13 0.63 0.16 0.35 116.66 113.39 2j00 n ARG 140 Ca -0.09 0.06 0.02 0.00 -0.92 0.00 0.00 57.85 56.92 2j00 n ARG 140 Cb 0.42 -1.60 0.04 0.00 0.45 0.00 0.00 32.46 31.77 2j00 n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2j00 n GLN 141 N -0.84 2.80 -1.86 -0.14 6.02 -0.33 -5.02 117.38 118.01 2j00 n GLN 141 Ca 0.00 -1.73 -0.31 0.00 -0.01 0.00 0.00 57.00 54.95 2j00 n GLN 141 Cb 0.10 -1.11 0.01 0.00 1.02 0.00 0.00 30.24 30.26 2j00 n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2j00 s LEU 142 N -1.24 3.25 0.05 1.08 1.43 0.16 -5.08 118.68 118.33 2j00 s LEU 142 Ca 0.08 1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 2j00 s LEU 142 Cb 0.06 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 2j00 s LEU 142 CO 0.03 -0.95 -0.03 -0.13 0.23 0.00 0.00 176.35 175.50 2j00 s ARG 143 N -5.06 0.62 0.18 1.70 1.81 -1.26 -5.01 118.95 111.94 2j00 s ARG 143 Ca 0.56 -1.21 0.11 0.00 -1.72 0.00 0.00 55.73 53.48 2j00 s ARG 143 Cb -0.11 0.16 -0.04 0.00 -0.45 0.00 0.00 34.95 34.50 2j00 s ARG 143 CO 0.52 -0.10 -0.24 0.95 -0.68 0.00 0.00 175.30 175.75 2j00 s THR 144 N -3.78 2.33 0.57 0.02 -4.23 -1.26 -4.61 115.64 104.68 2j00 s THR 144 Ca 0.06 -1.99 0.29 0.00 -1.18 0.00 0.00 61.69 58.87 2j00 s THR 144 Cb 0.07 -2.11 0.41 0.00 1.34 0.00 0.00 72.50 72.21 2j00 s THR 144 CO -0.09 -0.09 1.90 0.50 -0.54 0.00 0.00 174.62 176.30 2j00 h LYS 145 N 3.30 0.00 0.00 3.99 3.64 -1.99 -1.29 116.57 124.22 2j00 h LYS 145 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2j00 h LYS 145 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2j00 h LYS 145 CO 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 2j00 n ALA 146 N -2.46 -0.10 0.00 5.00 0.00 -1.26 -2.83 120.51 118.87 2j00 n ALA 146 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2j00 n ALA 146 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 2j00 n ALA 146 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2j00 n ASP 147 N -1.10 0.00 -0.05 0.00 3.85 -1.11 0.84 116.55 118.98 2j00 n ASP 147 Ca 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 54.79 54.05 2j00 n ASP 147 Cb 0.00 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 39.76 2j00 n ASP 147 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 2j00 h VAL 148 N 0.00 0.00 0.00 2.12 2.07 -1.26 -3.36 116.25 115.83 2j00 h VAL 148 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2j00 h VAL 148 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2j00 h VAL 148 CO 0.00 0.00 0.00 1.05 0.02 0.00 0.00 177.57 178.64 2j00 h GLU 149 N -0.72 0.00 -0.04 1.57 4.11 -1.02 -2.16 114.58 116.32 2j00 h GLU 149 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 2j00 h GLU 149 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2j00 h GLU 149 CO 0.00 0.00 0.07 -0.09 0.07 0.00 0.00 179.01 179.06 2j00 h ARG 150 N 0.00 0.00 0.04 1.06 2.43 0.28 -0.51 114.38 117.68 2j00 h ARG 150 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 2j00 h ARG 150 Cb 0.65 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2j00 h ARG 150 CO 0.00 0.00 -1.95 1.28 -1.51 0.00 0.00 179.97 177.79 2j00 n LEU 151 N -3.43 1.46 -2.01 3.80 4.77 -0.82 -4.23 117.00 116.54 2j00 n LEU 151 Ca -0.02 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.99 2j00 n LEU 151 Cb 0.15 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2j00 n LEU 151 CO 0.23 0.59 1.27 0.54 -1.33 0.00 0.00 177.39 178.69 2j00 n ARG 152 N -3.15 2.05 0.00 3.23 1.74 -0.23 -4.69 116.66 115.61 2j00 n ARG 152 Ca -0.26 -2.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.77 2j00 n ARG 152 Cb 1.06 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 2j00 n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2j00 n LYS 153 N -0.04 0.00 -2.72 5.56 4.76 -1.05 -4.97 118.16 119.70 2j00 n LYS 153 Ca 0.39 0.24 -0.10 0.00 -2.87 0.00 0.00 58.31 55.97 2j00 n LYS 153 Cb 0.63 -1.21 0.05 0.00 -1.84 0.00 0.00 35.03 32.65 2j00 n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2j00 n GLY 154 N -0.59 -0.57 0.00 0.72 0.00 -1.26 -5.13 105.19 98.35 2j00 n GLY 154 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2j00 n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11