#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j02 n LYS 3 N 0.00 1.94 -1.16 0.54 5.02 -1.26 -4.87 118.16 118.37 2j02 n LYS 3 Ca 0.00 0.60 -0.37 0.00 -2.02 0.00 0.00 58.31 56.51 2j02 n LYS 3 Cb 0.00 -2.95 0.03 0.00 -0.02 0.00 0.00 35.03 32.09 2j02 n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2j02 n LYS 4 N 8.14 0.05 -4.02 1.97 3.00 -1.26 -4.44 118.16 121.59 2j02 n LYS 4 Ca 0.30 0.02 -0.16 0.00 -0.00 0.00 0.00 58.31 58.47 2j02 n LYS 4 Cb 0.37 -1.15 -0.15 0.00 0.00 0.00 0.00 35.03 34.10 2j02 n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2j02 s VAL 5 N -1.99 0.26 0.16 3.15 1.01 -1.25 -1.70 120.40 120.04 2j02 s VAL 5 Ca 0.53 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.54 2j02 s VAL 5 Cb -0.36 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2j02 s VAL 5 CO 0.70 0.12 -0.18 -0.76 0.00 0.00 0.00 175.10 174.98 2j02 s LEU 6 N 0.49 2.43 -0.08 3.92 1.43 0.24 -4.93 118.68 122.17 2j02 s LEU 6 Ca -0.05 -0.85 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 2j02 s LEU 6 Cb -0.08 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 2j02 s LEU 6 CO -0.01 -0.03 -0.22 -0.89 0.23 0.00 0.00 176.35 175.44 2j02 s THR 7 N -1.99 2.32 0.06 5.49 2.01 -1.26 -0.73 115.64 121.55 2j02 s THR 7 Ca 0.15 -0.96 -0.18 0.00 0.31 0.00 0.00 61.69 61.01 2j02 s THR 7 Cb -0.06 -1.88 0.06 0.00 0.01 0.00 0.00 72.50 70.63 2j02 s THR 7 CO 0.06 0.56 0.84 0.61 -0.69 0.00 0.00 174.62 176.01 2j02 n GLY 8 N 3.11 0.56 3.69 4.40 0.00 -1.10 -4.29 105.19 111.56 2j02 n GLY 8 Ca -0.18 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 2j02 n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j02 s VAL 9 N -2.13 4.06 -0.52 1.61 1.01 -0.22 -1.05 120.40 123.16 2j02 s VAL 9 Ca 0.19 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 2j02 s VAL 9 Cb -0.01 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.49 2j02 s VAL 9 CO 0.02 0.17 1.05 -0.69 0.00 0.00 0.00 175.10 175.65 2j02 s VAL 10 N -1.27 4.27 -0.75 2.92 1.01 -0.75 -0.52 120.40 125.31 2j02 s VAL 10 Ca 0.25 0.80 0.14 0.00 0.00 0.00 0.00 61.98 63.17 2j02 s VAL 10 Cb -0.12 -4.58 0.48 0.00 0.00 0.00 0.00 36.38 32.16 2j02 s VAL 10 CO 0.17 -1.08 1.40 1.33 0.00 0.00 0.00 175.10 176.92 2j02 n VAL 11 N 6.54 1.60 -3.62 2.92 0.24 -0.21 0.04 118.33 125.84 2j02 n VAL 11 Ca 0.07 -1.33 -0.08 0.00 -2.04 0.00 0.00 64.34 60.97 2j02 n VAL 11 Cb 0.49 0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.97 2j02 n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2j02 s SER 12 N -1.28 -0.31 0.00 -1.34 0.15 -1.25 -4.96 113.70 104.71 2j02 s SER 12 Ca 0.36 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2j02 s SER 12 Cb 0.24 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2j02 s SER 12 CO 0.16 -0.19 0.00 -0.90 1.20 0.00 0.00 173.24 173.50 2j02 n ASP 13 N 1.32 0.00 -2.26 5.45 5.75 -1.26 -2.45 116.55 123.10 2j02 n ASP 13 Ca -0.10 -0.93 -0.06 0.00 -0.01 0.00 0.00 54.79 53.70 2j02 n ASP 13 Cb 0.57 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.58 2j02 n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2j02 n LYS 14 N 0.00 0.96 -3.85 0.11 5.02 -1.26 -4.69 118.16 114.45 2j02 n LYS 14 Ca 0.00 -0.48 -0.09 0.00 -2.02 0.00 0.00 58.31 55.72 2j02 n LYS 14 Cb 0.23 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 2j02 n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2j02 s MET 15 N 2.04 1.04 -0.10 1.97 -1.94 -1.26 -5.13 119.30 115.91 2j02 s MET 15 Ca 0.32 -1.00 -0.21 0.00 -1.71 0.00 0.00 55.69 53.09 2j02 s MET 15 Cb 0.15 0.39 -0.04 0.00 2.01 0.00 0.00 34.83 37.34 2j02 s MET 15 CO 0.00 -0.37 0.61 -0.65 -0.01 0.00 0.00 175.02 174.59 2j02 s GLN 16 N -3.89 4.38 -1.52 2.03 -0.21 -1.26 -4.16 119.66 115.02 2j02 s GLN 16 Ca 0.10 0.69 -0.15 0.00 0.02 0.00 0.00 55.36 56.01 2j02 s GLN 16 Cb 0.03 -3.45 0.13 0.00 1.00 0.00 0.00 33.01 30.72 2j02 s GLN 16 CO -0.06 0.07 0.69 1.63 -2.12 0.00 0.00 175.29 175.50 2j02 n LYS 17 N 3.85 -3.37 -3.69 2.91 5.02 -1.26 -4.93 118.16 116.69 2j02 n LYS 17 Ca -0.03 0.41 -0.12 0.00 -2.02 0.00 0.00 58.31 56.54 2j02 n LYS 17 Cb 0.51 -5.14 -0.06 0.00 -0.02 0.00 0.00 35.03 30.32 2j02 n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2j02 s THR 18 N -3.13 0.07 0.05 -0.18 2.01 -1.26 -2.65 115.64 110.54 2j02 s THR 18 Ca 0.62 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 2j02 s THR 18 Cb -0.34 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 2j02 s THR 18 CO 0.76 -0.32 -0.04 0.68 -0.69 0.00 0.00 174.62 175.02 2j02 s VAL 19 N -2.83 0.27 -0.18 3.82 -7.23 0.11 -4.58 120.40 109.79 2j02 s VAL 19 Ca -0.03 -1.54 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 2j02 s VAL 19 Cb 0.00 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 2j02 s VAL 19 CO -0.05 -0.81 -0.05 -0.89 -0.31 0.00 0.00 175.10 172.99 2j02 s THR 20 N -3.08 3.58 -0.28 5.32 2.01 -1.03 -1.18 115.64 121.00 2j02 s THR 20 Ca 0.00 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 2j02 s THR 20 Cb 0.02 -2.58 0.05 0.00 0.01 0.00 0.00 72.50 69.99 2j02 s THR 20 CO -0.06 0.47 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.59 2j02 s VAL 21 N 0.80 2.69 0.08 3.82 1.01 0.83 -1.05 120.40 128.58 2j02 s VAL 21 Ca -0.02 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.26 2j02 s VAL 21 Cb -0.15 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2j02 s VAL 21 CO 0.02 -0.02 0.99 -0.22 0.00 0.00 0.00 175.10 175.87 2j02 s LEU 22 N 1.22 4.45 -0.12 3.92 2.96 0.32 -0.26 118.68 131.16 2j02 s LEU 22 Ca -0.05 1.79 -0.00 0.00 -0.22 0.00 0.00 54.13 55.64 2j02 s LEU 22 Cb -0.19 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 42.94 2j02 s LEU 22 CO -0.03 -0.17 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.07 2j02 s VAL 23 N 0.38 1.04 0.39 1.68 1.01 0.51 -1.06 120.40 124.36 2j02 s VAL 23 Ca 0.50 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 2j02 s VAL 23 Cb -0.23 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 34.98 2j02 s VAL 23 CO 0.30 0.32 0.82 -1.61 0.00 0.00 0.00 175.10 174.93 2j02 s GLU 24 N 1.70 3.97 -0.26 2.72 2.02 -1.26 -0.36 118.70 127.22 2j02 s GLU 24 Ca 0.04 0.73 -0.16 0.00 0.02 0.00 0.00 54.97 55.61 2j02 s GLU 24 Cb -0.13 -2.33 0.08 0.00 0.10 0.00 0.00 34.13 31.84 2j02 s GLU 24 CO -0.08 0.01 0.65 -0.98 0.02 0.00 0.00 175.26 174.87 2j02 s ARG 25 N -3.42 0.67 0.37 1.61 1.70 -0.90 -4.92 118.95 114.06 2j02 s ARG 25 Ca 0.55 1.13 0.08 0.00 -0.47 0.00 0.00 55.73 57.03 2j02 s ARG 25 Cb -0.10 0.15 -0.06 0.00 -0.57 0.00 0.00 34.95 34.37 2j02 s ARG 25 CO 0.23 -0.14 0.06 1.14 -1.08 0.00 0.00 175.30 175.50 2j02 s GLN 26 N 1.45 2.11 -0.26 3.89 -2.07 -1.26 0.19 119.66 123.70 2j02 s GLN 26 Ca -0.09 -1.81 -0.29 0.00 -1.82 0.00 0.00 55.36 51.36 2j02 s GLN 26 Cb -0.05 -1.92 0.18 0.00 -1.09 0.00 0.00 33.01 30.13 2j02 s GLN 26 CO -0.16 0.05 1.29 -0.59 -1.32 0.00 0.00 175.29 174.56 2j02 s PHE 27 N -2.56 -0.12 0.28 9.60 -0.12 -0.69 -4.95 117.98 119.43 2j02 s PHE 27 Ca 0.36 0.21 -0.30 0.00 -0.05 0.00 0.00 56.93 57.16 2j02 s PHE 27 Cb 0.02 0.48 -0.11 0.00 -0.63 0.00 0.00 43.02 42.79 2j02 s PHE 27 CO 0.20 -0.10 1.48 -2.14 -0.05 0.00 0.00 175.22 174.61 2j02 s PRO 28 N -0.89 4.21 0.05 1.99 0.02 -1.26 -1.50 135.00 137.61 2j02 s PRO 28 Ca 0.06 2.41 -0.31 0.00 0.02 0.00 0.00 61.00 63.19 2j02 s PRO 28 Cb -0.01 -3.06 -0.07 0.00 0.02 0.00 0.00 34.50 31.37 2j02 s PRO 28 CO -0.07 -0.48 1.52 -1.58 -0.33 0.00 0.00 177.00 176.06 2j02 s HIS 29 N -0.21 2.70 -1.48 6.54 2.46 -0.85 -4.86 115.29 119.60 2j02 s HIS 29 Ca 0.59 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.72 2j02 s HIS 29 Cb -0.44 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.20 2j02 s HIS 29 CO 0.48 -3.13 0.16 -0.35 -2.47 0.00 0.00 174.74 169.42 2j02 n PRO 30 N 5.28 0.00 0.00 2.88 -0.04 -1.26 -2.01 135.00 139.85 2j02 n PRO 30 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2j02 n PRO 30 Cb 0.42 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2j02 n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2j02 n LEU 31 N -0.58 0.00 -0.05 1.53 7.94 -1.26 -4.93 117.00 119.65 2j02 n LEU 31 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 2j02 n LEU 31 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 2j02 n LEU 31 CO 0.00 0.00 0.29 -1.22 -1.11 0.00 0.00 177.39 175.35 2j02 n TYR 32 N 0.00 0.00 0.00 1.96 0.53 -1.18 -5.05 117.16 113.42 2j02 n TYR 32 Ca 0.00 -0.04 0.00 0.00 -1.02 0.00 0.00 57.90 56.84 2j02 n TYR 32 Cb 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 2j02 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2j02 n GLY 33 N 0.03 2.16 0.74 2.72 0.00 -0.85 -4.93 105.19 105.06 2j02 n GLY 33 Ca 0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2j02 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j02 n LYS 34 N 0.00 0.00 -2.50 1.61 4.81 -1.26 -2.25 118.16 118.57 2j02 n LYS 34 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2j02 n LYS 34 Cb 0.00 -0.22 -0.03 0.00 0.02 0.00 0.00 35.03 34.80 2j02 n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2j02 s VAL 35 N -0.24 4.32 -0.12 3.15 1.01 -1.26 -2.00 120.40 125.26 2j02 s VAL 35 Ca 0.14 1.65 0.03 0.00 0.00 0.00 0.00 61.98 63.80 2j02 s VAL 35 Cb -0.20 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2j02 s VAL 35 CO 0.12 0.07 -0.21 0.27 0.00 0.00 0.00 175.10 175.35 2j02 s ILE 36 N 1.60 2.26 0.12 2.22 -4.36 -0.56 -4.91 121.20 117.56 2j02 s ILE 36 Ca 0.56 -0.94 -0.17 0.00 -0.26 0.00 0.00 60.65 59.84 2j02 s ILE 36 Cb -0.25 -1.89 -0.07 0.00 1.25 0.00 0.00 42.46 41.49 2j02 s ILE 36 CO 0.25 0.55 0.57 -0.54 0.24 0.00 0.00 174.94 176.01 2j02 s LYS 37 N 0.52 4.10 0.00 0.37 1.02 -1.26 -1.70 119.74 122.79 2j02 s LYS 37 Ca -0.13 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.49 2j02 s LYS 37 Cb -0.17 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2j02 s LYS 37 CO 0.05 0.55 0.00 -2.13 -0.92 0.00 0.00 175.35 172.90 2j02 n ARG 38 N 1.23 1.55 -3.57 1.68 3.00 0.49 -4.94 116.66 116.09 2j02 n ARG 38 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.72 2j02 n ARG 38 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.95 2j02 n ARG 38 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2j02 s SER 39 N -0.53 -0.22 -0.14 6.15 1.04 -1.26 -2.12 113.70 116.61 2j02 s SER 39 Ca 0.00 -0.05 -0.28 0.00 0.48 0.00 0.00 55.95 56.11 2j02 s SER 39 Cb 0.00 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.46 2j02 s SER 39 CO 0.00 -0.45 0.68 -0.75 0.98 0.00 0.00 173.24 173.71 2j02 s LYS 40 N -2.77 0.95 -0.11 4.02 2.20 0.51 -4.94 119.74 119.59 2j02 s LYS 40 Ca 0.08 0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 56.19 2j02 s LYS 40 Cb -0.00 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 2j02 s LYS 40 CO -0.06 -0.23 0.15 0.15 -0.36 0.00 0.00 175.35 175.00 2j02 s LYS 41 N -0.51 3.44 -0.01 4.03 1.02 -1.25 0.19 119.74 126.65 2j02 s LYS 41 Ca -0.06 -0.14 0.05 0.00 0.02 0.00 0.00 55.97 55.83 2j02 s LYS 41 Cb -0.02 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 2j02 s LYS 41 CO 0.06 0.77 -0.15 0.71 -0.92 0.00 0.00 175.35 175.82 2j02 s TYR 42 N -1.05 1.39 -0.78 3.18 1.51 0.64 -4.91 117.35 117.33 2j02 s TYR 42 Ca 0.16 -0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 55.74 2j02 s TYR 42 Cb -0.12 -0.90 0.10 0.00 -0.11 0.00 0.00 41.96 40.93 2j02 s TYR 42 CO 0.05 -0.04 1.00 -0.51 -1.11 0.00 0.00 175.55 174.94 2j02 s LEU 43 N -0.31 4.86 0.24 -1.29 1.43 -1.26 -0.12 118.68 122.23 2j02 s LEU 43 Ca 0.05 -1.55 -0.24 0.00 -1.03 0.00 0.00 54.13 51.36 2j02 s LEU 43 Cb -0.06 -2.39 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 2j02 s LEU 43 CO -0.00 -1.21 0.82 0.00 0.23 0.00 0.00 176.35 176.18 2j02 s ALA 44 N 3.20 3.36 -0.22 4.21 0.00 -0.32 -4.24 121.76 127.75 2j02 s ALA 44 Ca 0.25 0.36 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 2j02 s ALA 44 Cb -0.12 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2j02 s ALA 44 CO 0.00 0.27 0.61 -1.58 0.00 0.00 0.00 175.76 175.06 2j02 s HIS 45 N -1.42 3.33 -0.60 0.00 2.46 -0.34 -0.71 115.29 118.00 2j02 s HIS 45 Ca 0.43 0.85 0.04 0.00 0.47 0.00 0.00 55.06 56.86 2j02 s HIS 45 Cb -0.20 -2.80 0.15 0.00 -0.13 0.00 0.00 32.58 29.61 2j02 s HIS 45 CO 0.24 -0.23 0.39 0.34 -2.47 0.00 0.00 174.74 173.01 2j02 s ASP 46 N 1.32 4.27 0.00 9.88 3.68 -1.09 -3.26 116.67 131.47 2j02 s ASP 46 Ca 0.27 -3.43 0.06 0.00 2.13 0.00 0.00 52.55 51.58 2j02 s ASP 46 Cb -0.16 -1.47 0.32 0.00 -1.45 0.00 0.00 42.92 40.17 2j02 s ASP 46 CO 0.09 -0.15 1.02 -0.81 0.13 0.00 0.00 175.17 175.46 2j02 n PRO 47 N 2.52 0.10 0.00 4.34 -0.04 -1.26 -1.93 135.00 138.73 2j02 n PRO 47 Ca 0.15 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2j02 n PRO 47 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2j02 n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2j02 n GLU 48 N -1.25 1.10 -4.16 0.54 1.02 -1.26 -5.00 120.64 111.62 2j02 n GLU 48 Ca 0.03 -0.97 -0.29 0.00 -0.02 0.00 0.00 57.16 55.91 2j02 n GLU 48 Cb 0.05 -0.94 -0.09 0.00 -0.02 0.00 0.00 31.44 30.44 2j02 n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2j02 n GLU 49 N -0.25 -0.92 0.00 3.49 1.02 -0.81 -4.81 120.64 118.35 2j02 n GLU 49 Ca 0.00 0.09 0.09 0.00 -0.02 0.00 0.00 57.16 57.31 2j02 n GLU 49 Cb 0.17 -3.35 -0.05 0.00 -0.02 0.00 0.00 31.44 28.19 2j02 n GLU 49 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2j02 n LYS 50 N -4.20 1.37 -3.69 3.49 2.85 -1.26 -4.87 118.16 111.85 2j02 n LYS 50 Ca -0.26 -0.46 -0.37 0.00 -1.05 0.00 0.00 58.31 56.18 2j02 n LYS 50 Cb 0.61 -1.34 -0.10 0.00 -0.65 0.00 0.00 35.03 33.55 2j02 n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2j02 s TYR 51 N -2.37 3.28 0.41 5.58 1.51 -1.26 -5.09 117.35 119.41 2j02 s TYR 51 Ca 0.11 0.16 0.08 0.00 -1.01 0.00 0.00 57.07 56.40 2j02 s TYR 51 Cb 0.14 -2.27 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 2j02 s TYR 51 CO 0.59 0.01 0.45 -1.59 -1.11 0.00 0.00 175.55 173.90 2j02 s LYS 52 N 1.13 2.66 0.24 -0.62 0.00 -1.26 -5.03 119.74 116.86 2j02 s LYS 52 Ca 0.07 -1.41 -0.31 0.00 0.00 0.00 0.00 55.97 54.32 2j02 s LYS 52 Cb -0.14 -2.53 -0.14 0.00 0.00 0.00 0.00 37.83 35.02 2j02 s LYS 52 CO 0.05 -0.20 1.28 -0.11 0.00 0.00 0.00 175.35 176.36 2j02 n LEU 53 N -1.65 2.55 -0.21 2.77 7.94 -1.26 -3.33 117.00 123.80 2j02 n LEU 53 Ca 0.05 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 2j02 n LEU 53 Cb 0.61 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.20 2j02 n LEU 53 CO 0.41 -0.83 0.00 0.61 -1.11 0.00 0.00 177.39 176.47 2j02 n GLY 54 N 1.86 0.67 3.48 -3.96 0.00 0.11 -4.81 105.19 102.54 2j02 n GLY 54 Ca 0.12 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 2j02 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j02 s ASP 55 N -2.96 4.29 -0.17 1.61 1.01 -1.21 -2.59 116.67 116.64 2j02 s ASP 55 Ca 0.00 -0.18 -0.26 0.00 0.71 0.00 0.00 52.55 52.82 2j02 s ASP 55 Cb 0.00 -1.27 -0.01 0.00 1.01 0.00 0.00 42.92 42.65 2j02 s ASP 55 CO 0.00 0.28 0.87 -0.69 0.21 0.00 0.00 175.17 175.83 2j02 s VAL 56 N -0.30 4.85 0.32 -1.27 1.01 -0.88 -1.80 120.40 122.33 2j02 s VAL 56 Ca 0.03 1.70 0.03 0.00 0.00 0.00 0.00 61.98 63.74 2j02 s VAL 56 Cb -0.13 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2j02 s VAL 56 CO 0.03 -0.00 0.12 0.68 0.00 0.00 0.00 175.10 175.93 2j02 s VAL 57 N 2.27 0.59 -0.07 2.92 -7.23 -0.21 -1.31 120.40 117.36 2j02 s VAL 57 Ca 0.39 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2j02 s VAL 57 Cb -0.16 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2j02 s VAL 57 CO 0.12 0.00 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.21 2j02 s GLU 58 N -3.86 2.76 -0.09 4.82 2.02 -0.49 -2.70 118.70 121.16 2j02 s GLU 58 Ca 0.34 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.78 2j02 s GLU 58 Cb 0.06 -2.55 -0.00 0.00 0.10 0.00 0.00 34.13 31.74 2j02 s GLU 58 CO 0.16 0.60 -0.24 0.42 0.02 0.00 0.00 175.26 176.22 2j02 s ILE 59 N -0.65 2.09 -0.06 -1.63 -1.09 0.10 -0.49 121.20 119.46 2j02 s ILE 59 Ca 0.10 -1.02 0.03 0.00 -2.23 0.00 0.00 60.65 57.53 2j02 s ILE 59 Cb -0.11 -1.79 -0.02 0.00 -1.58 0.00 0.00 42.46 38.96 2j02 s ILE 59 CO 0.01 0.56 -0.15 -0.51 -1.23 0.00 0.00 174.94 173.63 2j02 s ILE 60 N 0.26 2.99 0.30 2.92 2.07 -0.63 -0.59 121.20 128.51 2j02 s ILE 60 Ca -0.16 -0.74 -0.29 0.00 -1.41 0.00 0.00 60.65 58.05 2j02 s ILE 60 Cb -0.17 -2.18 -0.13 0.00 0.13 0.00 0.00 42.46 40.11 2j02 s ILE 60 CO 0.08 0.58 1.22 1.21 -1.91 0.00 0.00 174.94 176.12 2j02 n GLU 61 N 2.57 1.82 -3.79 3.50 2.13 -0.69 -2.13 120.64 124.05 2j02 n GLU 61 Ca -0.17 0.64 -0.10 0.00 0.66 0.00 0.00 57.16 58.19 2j02 n GLU 61 Cb 0.52 -2.17 -0.07 0.00 0.27 0.00 0.00 31.44 30.00 2j02 n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2j02 s SER 62 N -0.26 -0.02 0.28 4.31 0.01 -1.17 -4.81 113.70 112.05 2j02 s SER 62 Ca 0.60 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 57.13 2j02 s SER 62 Cb -0.64 0.36 -0.12 0.00 0.21 0.00 0.00 66.02 65.82 2j02 s SER 62 CO 0.59 -0.68 1.51 -1.14 0.41 0.00 0.00 173.24 173.92 2j02 n ARG 63 N 0.23 2.44 -1.48 12.44 0.00 -1.26 -4.49 116.66 124.53 2j02 n ARG 63 Ca -0.17 0.87 -0.56 0.00 -0.00 0.00 0.00 57.85 57.99 2j02 n ARG 63 Cb 0.61 -2.59 -0.07 0.00 0.00 0.00 0.00 32.46 30.42 2j02 n ARG 63 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2j02 n PRO 64 N 1.94 0.06 -0.08 -0.14 -0.02 -1.26 -4.80 135.00 130.69 2j02 n PRO 64 Ca 0.09 0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.48 2j02 n PRO 64 Cb 0.35 -1.39 -0.08 0.00 -0.02 0.00 0.00 33.50 32.35 2j02 n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2j02 n ILE 65 N 1.12 0.97 -3.17 4.25 -0.00 -0.45 -5.03 119.36 117.05 2j02 n ILE 65 Ca 0.19 -0.42 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 2j02 n ILE 65 Cb 0.13 -1.01 0.00 0.00 -0.00 0.00 0.00 39.64 38.76 2j02 n ILE 65 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2j02 n SER 66 N -2.89 0.00 -4.35 4.38 3.41 -1.16 -5.04 113.62 107.96 2j02 n SER 66 Ca -0.29 -0.93 -0.29 0.00 -0.26 0.00 0.00 58.87 57.10 2j02 n SER 66 Cb 0.85 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.98 2j02 n SER 66 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2j02 s LYS 67 N -1.80 0.29 0.00 4.33 2.20 -1.26 -3.21 119.74 120.29 2j02 s LYS 67 Ca 0.00 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 2j02 s LYS 67 Cb 0.00 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 2j02 s LYS 67 CO 0.00 -2.72 0.00 -2.13 -0.36 0.00 0.00 175.35 170.14 2j02 n ARG 68 N -4.08 -0.06 -3.94 4.03 3.00 -1.26 -4.73 116.66 109.62 2j02 n ARG 68 Ca 0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.65 2j02 n ARG 68 Cb 0.59 -1.23 -0.14 0.00 0.00 0.00 0.00 32.46 31.68 2j02 n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2j02 s LYS 69 N -0.05 1.54 -0.33 -0.14 2.20 -1.20 -4.37 119.74 117.39 2j02 s LYS 69 Ca 0.00 -2.05 0.12 0.00 -0.36 0.00 0.00 55.97 53.68 2j02 s LYS 69 Cb 0.00 -3.03 0.46 0.00 -1.51 0.00 0.00 37.83 33.75 2j02 s LYS 69 CO 0.00 -1.02 1.10 0.54 -0.36 0.00 0.00 175.35 175.60 2j02 n ARG 70 N 3.86 2.62 -3.56 4.03 3.00 -1.26 -1.34 116.66 124.01 2j02 n ARG 70 Ca 0.04 -3.93 -0.17 0.00 -0.01 0.00 0.00 57.85 53.78 2j02 n ARG 70 Cb 0.38 -1.90 -0.06 0.00 0.00 0.00 0.00 32.46 30.88 2j02 n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2j02 s PHE 71 N -3.52 -0.63 0.20 -1.55 0.08 -1.26 -3.06 117.98 108.24 2j02 s PHE 71 Ca 0.40 1.16 0.11 0.00 0.12 0.00 0.00 56.93 58.71 2j02 s PHE 71 Cb 0.40 0.36 -0.04 0.00 -0.57 0.00 0.00 43.02 43.16 2j02 s PHE 71 CO -0.04 -0.55 -0.19 1.03 -0.10 0.00 0.00 175.22 175.37 2j02 s ARG 72 N -0.97 1.71 -1.28 0.44 0.52 -0.91 -1.20 118.95 117.27 2j02 s ARG 72 Ca -0.10 -1.46 -0.15 0.00 -0.52 0.00 0.00 55.73 53.51 2j02 s ARG 72 Cb -0.01 -1.94 0.12 0.00 0.52 0.00 0.00 34.95 33.63 2j02 s ARG 72 CO 0.08 0.40 1.67 0.28 0.02 0.00 0.00 175.30 177.76 2j02 n VAL 73 N 0.11 4.08 0.00 3.52 0.31 -1.20 -1.60 118.33 123.54 2j02 n VAL 73 Ca -0.11 -4.30 0.00 0.00 -0.01 0.00 0.00 64.34 59.91 2j02 n VAL 73 Cb 0.56 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 2j02 n VAL 73 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2j02 n LEU 74 N 6.50 0.00 0.00 7.52 -0.00 0.36 -4.80 117.00 126.58 2j02 n LEU 74 Ca 0.43 0.43 -0.08 0.00 -0.00 0.00 0.00 56.01 56.80 2j02 n LEU 74 Cb 0.43 -0.17 -0.01 0.00 -0.00 0.00 0.00 43.42 43.66 2j02 n LEU 74 CO 0.73 -0.17 0.11 -2.11 -0.00 0.00 0.00 177.39 175.94 2j02 n ARG 75 N -1.95 0.40 -2.72 1.96 1.85 -1.24 -5.00 116.66 109.96 2j02 n ARG 75 Ca 0.00 -1.47 -0.23 0.00 -1.00 0.00 0.00 57.85 55.15 2j02 n ARG 75 Cb 0.00 1.44 0.03 0.00 -1.05 0.00 0.00 32.46 32.88 2j02 n ARG 75 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2j02 s LEU 76 N 0.00 3.39 0.02 2.89 2.96 -1.26 -1.39 118.68 125.29 2j02 s LEU 76 Ca 0.15 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 2j02 s LEU 76 Cb -0.01 -3.12 0.00 0.00 0.50 0.00 0.00 46.19 43.57 2j02 s LEU 76 CO 0.11 -0.97 0.00 0.52 -1.32 0.00 0.00 176.35 174.68 2j02 n VAL 77 N -2.31 0.07 -3.72 1.68 0.31 -0.43 -4.75 118.33 109.18 2j02 n VAL 77 Ca 0.05 0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.30 2j02 n VAL 77 Cb 0.59 -0.58 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 2j02 n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2j02 s GLU 78 N -1.11 0.98 0.00 5.55 -1.05 -1.10 -4.99 118.70 116.98 2j02 s GLU 78 Ca 0.00 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 2j02 s GLU 78 Cb 0.00 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2j02 s GLU 78 CO 0.00 -0.36 0.00 0.45 0.95 0.00 0.00 175.26 176.30 2j02 n SER 79 N -0.16 0.00 0.00 0.83 2.88 -1.26 -2.06 113.62 113.85 2j02 n SER 79 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2j02 n SER 79 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2j02 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2j02 n GLY 80 N 5.00 0.00 2.71 0.46 0.00 -1.26 -4.69 105.19 107.41 2j02 n GLY 80 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2j02 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j02 n ARG 81 N 0.00 1.35 0.08 1.61 1.74 -1.07 -4.93 116.66 115.44 2j02 n ARG 81 Ca 0.00 -2.33 0.21 0.00 -0.77 0.00 0.00 57.85 54.96 2j02 n ARG 81 Cb 0.00 -0.51 0.74 0.00 -1.02 0.00 0.00 32.46 31.67 2j02 n ARG 81 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2j02 h MET 82 N 2.06 0.00 -0.36 5.56 2.86 -1.89 -2.60 114.93 120.57 2j02 h MET 82 Ca -0.26 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.42 2j02 h MET 82 Cb 1.27 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.85 2j02 h MET 82 CO 0.07 0.00 -0.50 0.38 1.06 0.00 0.00 176.91 177.93 2j02 h ASP 83 N 0.00 -1.66 -0.68 1.22 2.03 -1.96 1.58 116.42 116.95 2j02 h ASP 83 Ca 0.20 0.22 0.15 0.00 -0.73 0.00 0.00 57.03 56.87 2j02 h ASP 83 Cb 1.08 0.68 -0.11 0.00 -0.83 0.00 0.00 39.33 40.15 2j02 h ASP 83 CO -0.00 -0.36 0.08 -0.07 -1.03 0.00 0.00 179.24 177.86 2j02 h LEU 84 N -0.36 -0.15 -0.34 0.15 3.38 -1.89 0.50 115.31 116.61 2j02 h LEU 84 Ca 0.06 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.23 2j02 h LEU 84 Cb 0.53 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2j02 h LEU 84 CO -0.53 -0.08 0.10 0.58 0.09 0.00 0.00 178.44 178.59 2j02 h VAL 85 N 0.19 0.88 -0.55 1.22 2.07 -0.65 -1.10 116.25 118.30 2j02 h VAL 85 Ca 0.37 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.89 2j02 h VAL 85 Cb 0.63 0.63 -0.10 0.00 -1.52 0.00 0.00 31.29 30.92 2j02 h VAL 85 CO -0.53 0.04 -0.48 -0.33 0.02 0.00 0.00 177.57 176.29 2j02 h GLU 86 N 0.23 -0.26 -0.55 1.57 4.39 0.70 0.42 114.58 121.08 2j02 h GLU 86 Ca 0.16 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.96 2j02 h GLU 86 Cb 0.15 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.75 2j02 h GLU 86 CO -0.18 -0.17 -0.44 0.87 -1.16 0.00 0.00 179.01 177.93 2j02 h LYS 87 N -0.27 -0.24 -0.71 2.33 1.79 -0.11 0.20 116.57 119.57 2j02 h LYS 87 Ca 0.15 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 58.77 2j02 h LYS 87 Cb 0.56 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.17 2j02 h LYS 87 CO -0.68 -0.16 0.23 -0.92 -1.08 0.00 0.00 179.45 176.84 2j02 h TYR 88 N -0.25 0.38 0.24 -1.35 3.20 0.51 -0.75 116.97 118.96 2j02 h TYR 88 Ca 0.17 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2j02 h TYR 88 Cb 0.57 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2j02 h TYR 88 CO -0.70 0.01 -0.12 -0.07 -1.64 0.00 0.00 178.16 175.64 2j02 h LEU 89 N 0.36 -0.28 -0.38 2.82 3.38 0.26 -1.87 115.31 119.60 2j02 h LEU 89 Ca 0.39 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2j02 h LEU 89 Cb 0.60 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2j02 h LEU 89 CO -0.42 0.20 0.08 0.40 0.09 0.00 0.00 178.44 178.79 2j02 h ILE 90 N -0.86 0.82 -0.77 1.22 1.08 -0.91 1.50 117.51 119.58 2j02 h ILE 90 Ca -0.03 -0.07 0.13 0.00 -0.39 0.00 0.00 64.86 64.50 2j02 h ILE 90 Cb 0.51 0.59 -0.14 0.00 -3.07 0.00 0.00 36.82 34.71 2j02 h ILE 90 CO 0.05 0.04 -0.34 -0.09 -0.69 0.00 0.00 178.15 177.12 2j02 h ARG 91 N 0.21 -0.08 0.95 2.37 2.43 -1.18 0.38 114.38 119.47 2j02 h ARG 91 Ca 0.18 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2j02 h ARG 91 Cb 0.20 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2j02 h ARG 91 CO -0.23 -0.05 -0.46 -0.09 -1.51 0.00 0.00 179.97 177.63 2j02 h ARG 92 N -0.08 -1.23 -1.35 0.20 2.43 0.17 -2.80 114.38 111.71 2j02 h ARG 92 Ca 0.30 0.08 0.46 0.00 -0.81 0.00 0.00 59.98 60.01 2j02 h ARG 92 Cb 0.58 0.28 -0.12 0.00 -0.42 0.00 0.00 29.97 30.28 2j02 h ARG 92 CO -0.82 -0.82 0.89 0.94 -1.51 0.00 0.00 179.97 178.65 2j02 n GLN 93 N -5.63 -0.03 0.23 0.20 7.27 0.48 -0.09 117.38 119.82 2j02 n GLN 93 Ca -0.16 1.14 -0.17 0.00 0.07 0.00 0.00 57.00 57.89 2j02 n GLN 93 Cb 0.50 -2.30 -0.09 0.00 2.41 0.00 0.00 30.24 30.77 2j02 n GLN 93 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2j02 h ASN 94 N 0.00 -1.26 0.00 1.69 4.21 -0.09 -3.23 115.58 116.89 2j02 h ASN 94 Ca 0.82 0.11 0.00 0.00 1.21 0.00 0.00 56.30 58.45 2j02 h ASN 94 Cb 2.75 0.43 0.00 0.00 -1.12 0.00 0.00 38.32 40.38 2j02 h ASN 94 CO -0.38 -0.59 0.00 -1.22 -1.29 0.00 0.00 177.43 173.96 2j02 n TYR 95 N -5.52 0.00 -0.30 1.19 4.01 0.87 0.07 117.16 117.49 2j02 n TYR 95 Ca -0.10 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.70 2j02 n TYR 95 Cb 0.42 -0.26 0.13 0.00 -0.31 0.00 0.00 39.34 39.33 2j02 n TYR 95 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2j02 n GLU 96 N -2.30 -0.07 0.00 -0.72 2.13 -1.22 0.88 120.64 119.34 2j02 n GLU 96 Ca 0.00 1.29 0.07 0.00 0.66 0.00 0.00 57.16 59.17 2j02 n GLU 96 Cb 0.00 -1.94 0.39 0.00 0.27 0.00 0.00 31.44 30.16 2j02 n GLU 96 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2j02 n SER 97 N -5.33 0.00 -0.00 4.31 3.41 0.11 -2.71 113.62 113.41 2j02 n SER 97 Ca 0.14 -0.71 0.10 0.00 -0.26 0.00 0.00 58.87 58.14 2j02 n SER 97 Cb 0.45 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.28 2j02 n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2j02 n LEU 98 N -0.87 0.98 0.00 1.04 4.77 0.26 -4.90 117.00 118.28 2j02 n LEU 98 Ca 0.10 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2j02 n LEU 98 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2j02 n LEU 98 CO 0.07 0.25 0.00 -1.54 -1.33 0.00 0.00 177.39 174.84 2j02 n SER 99 N -1.51 0.00 -3.19 -1.43 3.41 -1.10 -4.99 113.62 104.82 2j02 n SER 99 Ca 0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.44 2j02 n SER 99 Cb 0.33 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 2j02 n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2j02 n LYS 100 N 0.00 0.89 0.00 4.33 4.76 -1.26 -5.17 118.16 121.71 2j02 n LYS 100 Ca 0.00 -3.34 0.00 0.00 -2.87 0.00 0.00 58.31 52.10 2j02 n LYS 100 Cb 0.00 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 2j02 n LYS 100 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90