#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jj6 s PHE 3 N 0.00 2.70 -0.25 6.00 5.36 0.91 -5.00 117.98 127.69 2jj6 s PHE 3 Ca 0.00 -0.19 -0.03 0.00 -0.96 0.00 0.00 56.93 55.76 2jj6 s PHE 3 Cb 0.00 -1.35 0.14 0.00 -0.34 0.00 0.00 43.02 41.47 2jj6 s PHE 3 CO 0.00 0.48 0.43 0.00 -1.46 0.00 0.00 175.22 174.67 2jj6 s GLY 5 N 2.61 1.66 -0.14 0.00 0.00 -0.62 -4.99 107.32 105.84 2jj6 s GLY 5 Ca 0.14 -1.65 -0.08 0.00 0.00 0.00 0.00 44.72 43.12 2jj6 s GLY 5 CO -0.17 -1.70 0.15 -1.58 0.00 0.00 0.00 173.10 169.80 2jj6 s HIS 6 N -1.98 3.55 -0.44 1.90 2.46 -1.26 -1.58 115.29 117.94 2jj6 s HIS 6 Ca 0.21 0.50 -0.09 0.00 0.47 0.00 0.00 55.06 56.15 2jj6 s HIS 6 Cb -0.07 -2.01 0.09 0.00 -0.13 0.00 0.00 32.58 30.47 2jj6 s HIS 6 CO 0.10 0.62 0.29 0.42 -2.47 0.00 0.00 174.74 173.70 2jj6 s ILE 7 N -0.66 4.19 0.05 0.89 1.01 0.19 -4.95 121.20 121.92 2jj6 s ILE 7 Ca 0.14 -1.56 -0.30 0.00 0.00 0.00 0.00 60.65 58.92 2jj6 s ILE 7 Cb -0.12 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 2jj6 s ILE 7 CO 0.03 -0.61 1.72 -0.75 0.00 0.00 0.00 174.94 175.33 2jj6 s LYS 8 N 1.39 4.18 0.00 2.79 2.20 -1.26 -1.99 119.74 127.05 2jj6 s LYS 8 Ca 0.04 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 2jj6 s LYS 8 Cb -0.24 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 2jj6 s LYS 8 CO 0.01 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.61 2jj6 n GLY 9 N 4.12 1.30 5.86 5.54 0.00 -1.26 -4.96 105.19 115.79 2jj6 n GLY 9 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2jj6 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jj6 n GLY 10 N -2.00 -1.80 3.89 -0.02 0.00 -0.84 -4.83 105.19 99.59 2jj6 n GLY 10 Ca 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 2jj6 n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jj6 s MET 11 N -0.25 3.61 -0.20 1.61 -1.94 -0.62 -4.94 119.30 116.58 2jj6 s MET 11 Ca 0.00 0.46 -0.34 0.00 -1.71 0.00 0.00 55.69 54.10 2jj6 s MET 11 Cb 0.00 -2.26 0.14 0.00 2.01 0.00 0.00 34.83 34.72 2jj6 s MET 11 CO 0.00 -0.32 1.22 -0.98 -0.01 0.00 0.00 175.02 174.93 2jj6 s ARG 12 N -4.78 0.29 0.25 2.03 1.70 -1.26 -3.43 118.95 113.74 2jj6 s ARG 12 Ca 0.51 -0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 55.39 2jj6 s ARG 12 Cb -0.11 0.13 -0.15 0.00 -0.57 0.00 0.00 34.95 34.26 2jj6 s ARG 12 CO 0.46 -0.12 1.07 -2.30 -1.08 0.00 0.00 175.30 173.33 2jj6 n PRO 13 N 0.01 1.29 0.00 3.89 -0.02 -1.26 -1.33 135.00 137.59 2jj6 n PRO 13 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2jj6 n PRO 13 Cb 0.58 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2jj6 n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jj6 n GLY 14 N 1.56 2.44 3.69 -1.23 0.00 0.78 -4.96 105.19 107.47 2jj6 n GLY 14 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2jj6 n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jj6 s LYS 15 N -0.24 4.34 -0.07 1.61 2.47 -0.44 -4.83 119.74 122.57 2jj6 s LYS 15 Ca 0.00 1.81 0.03 0.00 -1.56 0.00 0.00 55.97 56.25 2jj6 s LYS 15 Cb 0.00 -3.52 -0.02 0.00 -1.46 0.00 0.00 37.83 32.83 2jj6 s LYS 15 CO 0.00 -0.47 -0.15 0.15 0.16 0.00 0.00 175.35 175.05 2jj6 s LYS 16 N 2.08 2.77 -0.16 4.03 1.02 -1.26 -0.53 119.74 127.69 2jj6 s LYS 16 Ca 0.60 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.88 2jj6 s LYS 16 Cb -0.28 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2jj6 s LYS 16 CO 0.25 0.48 -0.16 0.08 -0.92 0.00 0.00 175.35 175.09 2jj6 s VAL 17 N -0.37 2.58 -0.07 3.17 1.01 -0.57 -4.96 120.40 121.19 2jj6 s VAL 17 Ca 0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2jj6 s VAL 17 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2jj6 s VAL 17 CO 0.02 0.52 0.02 -0.76 0.00 0.00 0.00 175.10 174.90 2jj6 s LEU 18 N 0.89 3.66 -0.38 3.92 1.02 -1.26 -1.10 118.68 125.43 2jj6 s LEU 18 Ca -0.04 0.15 0.04 0.00 0.02 0.00 0.00 54.13 54.30 2jj6 s LEU 18 Cb -0.15 -1.90 0.16 0.00 0.02 0.00 0.00 46.19 44.32 2jj6 s LEU 18 CO -0.02 0.36 0.44 -0.69 0.02 0.00 0.00 176.35 176.46 2jj6 s VAL 19 N -0.95 -0.49 -0.05 -1.59 1.01 -0.31 -4.42 120.40 113.59 2jj6 s VAL 19 Ca 0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 2jj6 s VAL 19 Cb -0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2jj6 s VAL 19 CO 0.04 -0.44 0.21 -0.32 0.00 0.00 0.00 175.10 174.60 2jj6 s MET 20 N 1.54 3.53 0.00 2.72 0.00 -1.21 -2.12 119.30 123.76 2jj6 s MET 20 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 55.69 55.76 2jj6 s MET 20 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 34.83 31.56 2jj6 s MET 20 CO -0.04 0.71 0.00 0.41 0.00 0.00 0.00 175.02 176.10 2jj6 n GLY 21 N 1.50 2.81 3.06 2.11 0.00 -0.36 -1.91 105.19 112.40 2jj6 n GLY 21 Ca -0.15 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 2jj6 n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jj6 s ILE 22 N -2.27 0.08 -0.11 -0.61 1.01 0.38 -2.39 121.20 117.30 2jj6 s ILE 22 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 2jj6 s ILE 22 Cb 0.00 -0.36 -0.05 0.00 0.01 0.00 0.00 42.46 42.07 2jj6 s ILE 22 CO 0.00 -0.37 0.27 -0.69 0.00 0.00 0.00 174.94 174.14 2jj6 s VAL 23 N -1.26 5.30 0.21 2.92 1.01 -1.19 0.38 120.40 127.77 2jj6 s VAL 23 Ca -0.14 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 2jj6 s VAL 23 Cb -0.08 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 2jj6 s VAL 23 CO 0.01 0.51 1.10 -1.81 0.00 0.00 0.00 175.10 174.91 2jj6 s ASP 24 N -0.40 7.26 0.00 3.32 -0.00 -1.20 0.16 116.67 125.81 2jj6 s ASP 24 Ca 0.17 2.15 0.01 0.00 -0.00 0.00 0.00 52.55 54.88 2jj6 s ASP 24 Cb -0.14 -2.61 0.04 0.00 -0.00 0.00 0.00 42.92 40.22 2jj6 s ASP 24 CO 0.06 -0.20 0.31 0.00 -0.00 0.00 0.00 175.17 175.34 2jj6 n LEU 25 N 2.02 0.00 -2.95 1.23 -0.00 -1.26 -2.68 117.00 113.36 2jj6 n LEU 25 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.74 2jj6 n LEU 25 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.85 2jj6 n LEU 25 CO 0.54 0.00 0.35 -3.20 -0.00 0.00 0.00 177.39 175.08 2jj6 n ASN 26 N -0.74 4.97 -4.71 1.45 5.15 -1.26 -5.01 115.26 115.10 2jj6 n ASN 26 Ca 0.01 -3.70 -0.42 0.00 -0.60 0.00 0.00 54.58 49.87 2jj6 n ASN 26 Cb 0.00 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.59 2jj6 n ASN 26 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jj6 s PRO 27 N -3.61 4.46 0.00 1.20 0.04 -1.09 -4.87 135.00 131.12 2jj6 s PRO 27 Ca 0.48 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2jj6 s PRO 27 Cb 0.29 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2jj6 s PRO 27 CO -0.16 -0.22 0.00 0.39 0.04 0.00 0.00 177.00 177.05 2jj6 n GLU 28 N 4.06 0.00 0.00 4.56 1.02 -1.26 -4.73 120.64 124.29 2jj6 n GLU 28 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2jj6 n GLU 28 Cb 0.48 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 2jj6 n GLU 28 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2jj6 n SER 29 N -2.52 0.00 -4.07 1.62 3.41 -1.25 -2.76 113.62 108.05 2jj6 n SER 29 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 2jj6 n SER 29 Cb 0.38 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.21 2jj6 n SER 29 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2jj6 s PHE 30 N -0.76 0.78 0.04 7.33 -0.71 -1.14 -3.32 117.98 120.20 2jj6 s PHE 30 Ca 0.00 -0.43 0.08 0.00 -1.04 0.00 0.00 56.93 55.54 2jj6 s PHE 30 Cb 0.00 -0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 41.32 2jj6 s PHE 30 CO 0.00 -0.04 -0.23 0.00 -1.34 0.00 0.00 175.22 173.60 2jj6 s ALA 31 N -1.16 2.00 -0.08 1.99 0.00 -0.15 -1.98 121.76 122.37 2jj6 s ALA 31 Ca -0.06 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.76 2jj6 s ALA 31 Cb -0.09 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.64 2jj6 s ALA 31 CO 0.01 0.46 -0.12 0.42 0.00 0.00 0.00 175.76 176.53 2jj6 s ILE 32 N -0.79 1.20 0.07 0.00 1.01 -0.31 -1.19 121.20 121.19 2jj6 s ILE 32 Ca 0.10 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 2jj6 s ILE 32 Cb -0.09 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.27 2jj6 s ILE 32 CO 0.02 0.38 0.25 -0.94 0.00 0.00 0.00 174.94 174.65 2jj6 s SER 33 N 0.95 -0.02 -0.14 3.58 1.04 0.27 0.72 113.70 120.10 2jj6 s SER 33 Ca -0.09 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 2jj6 s SER 33 Cb -0.15 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 2jj6 s SER 33 CO 0.00 -0.67 -0.04 -0.76 0.98 0.00 0.00 173.24 172.75 2jj6 s LEU 34 N -2.43 3.25 0.23 2.42 1.43 -0.17 -0.59 118.68 122.81 2jj6 s LEU 34 Ca -0.01 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2jj6 s LEU 34 Cb 0.01 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 2jj6 s LEU 34 CO -0.07 0.20 0.05 0.42 0.23 0.00 0.00 176.35 177.17 2jj6 s THR 35 N 0.18 0.73 -0.68 5.49 -4.23 0.75 -0.47 115.64 117.40 2jj6 s THR 35 Ca -0.02 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 2jj6 s THR 35 Cb -0.14 -2.43 0.16 0.00 1.34 0.00 0.00 72.50 71.43 2jj6 s THR 35 CO 0.03 -0.21 0.67 0.00 -0.54 0.00 0.00 174.62 174.57 2jj6 n GLY 37 N 4.76 0.60 0.66 0.00 0.00 -1.26 -4.12 105.19 105.84 2jj6 n GLY 37 Ca -0.00 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.26 2jj6 n GLY 37 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jj6 n ASP 38 N -0.64 2.59 -4.48 1.61 3.85 -1.26 -4.71 116.55 113.51 2jj6 n ASP 38 Ca 0.00 -1.76 -0.39 0.00 -0.71 0.00 0.00 54.79 51.92 2jj6 n ASP 38 Cb 0.00 -0.13 0.03 0.00 -1.35 0.00 0.00 41.12 39.67 2jj6 n ASP 38 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 2jj6 n SER 39 N 0.77 -0.73 0.00 -1.12 2.88 -1.26 -4.89 113.62 109.26 2jj6 n SER 39 Ca 0.11 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 2jj6 n SER 39 Cb 0.40 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 2jj6 n SER 39 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jj6 n GLU 40 N 0.10 0.00 0.00 -1.46 -0.58 -1.26 -2.93 120.64 114.51 2jj6 n GLU 40 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2jj6 n GLU 40 Cb 0.45 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.59 2jj6 n GLU 40 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2jj6 n ASP 41 N -2.63 0.00 -4.48 1.62 4.64 -1.26 -2.97 116.55 111.47 2jj6 n ASP 41 Ca 0.00 0.94 -0.43 0.00 -1.38 0.00 0.00 54.79 53.92 2jj6 n ASP 41 Cb 0.45 -0.44 -0.04 0.00 -1.04 0.00 0.00 41.12 40.05 2jj6 n ASP 41 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 2jj6 s PRO 42 N -2.76 3.17 -0.25 -0.67 0.02 -1.26 -4.95 135.00 128.31 2jj6 s PRO 42 Ca 0.00 -0.63 -0.40 0.00 0.02 0.00 0.00 61.00 59.98 2jj6 s PRO 42 Cb 0.00 -4.17 -0.16 0.00 0.02 0.00 0.00 34.50 30.19 2jj6 s PRO 42 CO 0.00 -1.74 1.70 -2.30 -0.33 0.00 0.00 177.00 174.33 2jj6 n PRO 43 N 7.75 1.10 -1.74 5.54 -0.02 -1.16 -4.76 135.00 141.72 2jj6 n PRO 43 Ca -0.02 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.48 2jj6 n PRO 43 Cb 0.46 -2.07 0.06 0.00 -0.02 0.00 0.00 33.50 31.92 2jj6 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jj6 s ALA 44 N 3.23 2.63 0.43 3.55 0.00 -1.15 -4.90 121.76 125.56 2jj6 s ALA 44 Ca 0.97 1.31 -0.25 0.00 0.00 0.00 0.00 51.96 53.99 2jj6 s ALA 44 Cb -1.08 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 18.37 2jj6 s ALA 44 CO 0.65 -1.51 1.25 -0.25 0.00 0.00 0.00 175.76 175.90 2jj6 n ASP 45 N -1.42 2.44 -4.38 0.00 8.00 -1.26 -4.74 116.55 115.19 2jj6 n ASP 45 Ca 0.13 1.09 -0.36 0.00 0.71 0.00 0.00 54.79 56.36 2jj6 n ASP 45 Cb 0.46 -1.49 -0.13 0.00 -0.02 0.00 0.00 41.12 39.94 2jj6 n ASP 45 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jj6 s VAL 46 N -1.22 3.92 0.03 2.53 1.01 -0.03 -1.04 120.40 125.60 2jj6 s VAL 46 Ca 0.62 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 2jj6 s VAL 46 Cb -0.50 -2.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.80 2jj6 s VAL 46 CO 0.57 0.33 1.14 0.00 0.00 0.00 0.00 175.10 177.14 2jj6 h ALA 47 N 8.19 0.11 -2.67 5.51 0.00 -1.07 0.38 119.26 129.71 2jj6 h ALA 47 Ca -0.38 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 53.82 2jj6 h ALA 47 Cb 1.16 0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.73 2jj6 h ALA 47 CO 0.59 0.44 -0.28 -1.50 0.00 0.00 0.00 179.25 178.50 2jj6 s ILE 48 N -3.30 -0.02 -0.12 0.00 2.07 -1.15 -4.52 121.20 114.16 2jj6 s ILE 48 Ca -0.12 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.21 2jj6 s ILE 48 Cb 0.05 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 42.04 2jj6 s ILE 48 CO 0.85 0.03 -0.21 -0.70 -1.91 0.00 0.00 174.94 173.00 2jj6 s GLU 49 N 1.10 2.83 -0.41 3.50 2.12 0.20 -1.00 118.70 127.04 2jj6 s GLU 49 Ca -0.07 -0.79 -0.06 0.00 0.36 0.00 0.00 54.97 54.40 2jj6 s GLU 49 Cb -0.07 -2.26 0.09 0.00 0.26 0.00 0.00 34.13 32.15 2jj6 s GLU 49 CO -0.09 0.03 0.23 -0.51 -0.54 0.00 0.00 175.26 174.37 2jj6 s LEU 50 N 0.72 5.13 -0.26 2.70 1.43 0.22 -2.56 118.68 126.05 2jj6 s LEU 50 Ca -0.10 -1.70 -0.07 0.00 -1.03 0.00 0.00 54.13 51.22 2jj6 s LEU 50 Cb -0.16 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2jj6 s LEU 50 CO 0.01 -0.53 0.08 -0.75 0.23 0.00 0.00 176.35 175.39 2jj6 s LYS 51 N 1.31 3.54 -0.46 1.70 2.47 0.11 -1.17 119.74 127.24 2jj6 s LYS 51 Ca 0.04 -0.56 -0.12 0.00 -1.56 0.00 0.00 55.97 53.77 2jj6 s LYS 51 Cb -0.23 -3.35 0.09 0.00 -1.46 0.00 0.00 37.83 32.88 2jj6 s LYS 51 CO -0.01 -0.25 0.35 0.00 0.16 0.00 0.00 175.35 175.60 2jj6 s ALA 52 N 1.60 3.44 -0.45 3.13 0.00 -0.84 0.32 121.76 128.95 2jj6 s ALA 52 Ca 0.06 -2.25 -0.18 0.00 0.00 0.00 0.00 51.96 49.59 2jj6 s ALA 52 Cb -0.16 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.11 2jj6 s ALA 52 CO 0.04 -1.76 0.48 0.08 0.00 0.00 0.00 175.76 174.60 2jj6 s VAL 53 N 1.51 5.05 0.07 0.00 1.01 0.26 -2.91 120.40 125.39 2jj6 s VAL 53 Ca 0.04 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 2jj6 s VAL 53 Cb -0.25 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 2jj6 s VAL 53 CO 0.03 -0.55 1.52 -0.26 0.00 0.00 0.00 175.10 175.84 2jj6 h PHE 54 N 8.80 0.37 -0.84 5.22 0.04 -1.76 0.52 116.94 129.29 2jj6 h PHE 54 Ca -0.27 -0.06 0.19 0.00 2.80 0.00 0.00 57.97 60.63 2jj6 h PHE 54 Cb 1.11 -0.10 -0.15 0.00 2.20 0.00 0.00 35.95 39.00 2jj6 h PHE 54 CO 0.66 0.52 -0.09 1.15 -0.60 0.00 0.00 178.31 179.95 2jj6 h THR 55 N 0.11 0.19 -0.47 -1.55 2.02 -1.85 0.17 112.91 111.54 2jj6 h THR 55 Ca 0.06 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2jj6 h THR 55 Cb 0.37 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2jj6 h THR 55 CO 0.01 0.01 0.00 0.47 0.37 0.00 0.00 175.52 176.37 2jj6 n ASP 56 N -5.47 3.80 -3.74 4.18 10.43 -1.24 -4.99 116.55 119.53 2jj6 n ASP 56 Ca 0.15 -2.33 -0.31 0.00 2.57 0.00 0.00 54.79 54.87 2jj6 n ASP 56 Cb 0.50 -0.43 0.02 0.00 1.84 0.00 0.00 41.12 43.06 2jj6 n ASP 56 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2jj6 n ARG 57 N 0.64 -1.06 -4.75 -1.24 1.74 0.58 -4.98 116.66 107.59 2jj6 n ARG 57 Ca 0.19 0.54 -0.28 0.00 -0.77 0.00 0.00 57.85 57.53 2jj6 n ARG 57 Cb 0.68 -3.44 -0.14 0.00 -1.02 0.00 0.00 32.46 28.54 2jj6 n ARG 57 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2jj6 s GLN 58 N -5.79 1.61 -0.43 5.56 -0.21 0.17 -4.79 119.66 115.79 2jj6 s GLN 58 Ca 0.32 -1.08 0.02 0.00 0.02 0.00 0.00 55.36 54.64 2jj6 s GLN 58 Cb -0.14 -1.80 0.13 0.00 1.00 0.00 0.00 33.01 32.20 2jj6 s GLN 58 CO 0.89 0.46 0.22 -1.17 -2.12 0.00 0.00 175.29 173.57 2jj6 s LEU 59 N -1.32 2.79 0.06 2.90 2.96 -1.25 0.91 118.68 125.73 2jj6 s LEU 59 Ca 0.10 -2.55 -0.17 0.00 -0.22 0.00 0.00 54.13 51.29 2jj6 s LEU 59 Cb -0.10 -1.07 -0.06 0.00 0.50 0.00 0.00 46.19 45.46 2jj6 s LEU 59 CO 0.02 -0.28 0.52 -0.76 -1.32 0.00 0.00 176.35 174.53 2jj6 s LEU 60 N 0.44 4.49 0.03 -0.68 1.43 0.15 -4.49 118.68 120.05 2jj6 s LEU 60 Ca 0.17 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 2jj6 s LEU 60 Cb -0.24 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 2jj6 s LEU 60 CO -0.02 0.27 -0.17 -0.13 0.23 0.00 0.00 176.35 176.54 2jj6 s ARG 61 N -1.19 1.18 0.24 1.70 0.52 -0.83 0.04 118.95 120.61 2jj6 s ARG 61 Ca 0.28 -0.78 -0.21 0.00 -0.52 0.00 0.00 55.73 54.50 2jj6 s ARG 61 Cb -0.18 -1.22 0.07 0.00 0.52 0.00 0.00 34.95 34.14 2jj6 s ARG 61 CO 0.17 0.31 0.96 1.21 0.02 0.00 0.00 175.30 177.98 2jj6 s ASN 62 N -0.98 -0.01 0.30 0.23 3.84 -1.06 -1.64 114.94 115.61 2jj6 s ASN 62 Ca 0.05 -0.78 0.03 0.00 0.21 0.00 0.00 52.86 52.37 2jj6 s ASN 62 Cb -0.08 0.60 -0.06 0.00 -0.55 0.00 0.00 41.25 41.16 2jj6 s ASN 62 CO 0.01 -1.18 0.06 -0.94 -2.79 0.00 0.00 177.10 172.26 2jj6 s SER 63 N -3.27 2.00 -0.25 -4.21 1.04 -1.26 -0.63 113.70 107.12 2jj6 s SER 63 Ca 0.19 -1.36 -0.02 0.00 0.48 0.00 0.00 55.95 55.24 2jj6 s SER 63 Cb -0.03 -0.01 0.14 0.00 0.10 0.00 0.00 66.02 66.21 2jj6 s SER 63 CO 0.07 -0.63 0.38 0.00 0.98 0.00 0.00 173.24 174.04 2jj6 s ILE 65 N 2.54 2.38 -1.37 0.00 1.01 0.64 -0.85 121.20 125.55 2jj6 s ILE 65 Ca 0.12 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 2jj6 s ILE 65 Cb -0.15 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.28 2jj6 s ILE 65 CO -0.18 0.46 0.86 -1.20 0.00 0.00 0.00 174.94 174.87 2jj6 n SER 66 N 4.65 -2.83 0.00 3.58 7.64 -1.26 -0.45 113.62 124.95 2jj6 n SER 66 Ca -0.20 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 58.92 2jj6 n SER 66 Cb 0.49 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 2jj6 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jj6 n GLY 67 N -1.61 1.32 3.68 0.23 0.00 -1.26 -4.98 105.19 102.56 2jj6 n GLY 67 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2jj6 n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jj6 s GLU 68 N -0.17 4.26 0.11 1.61 2.56 0.41 -5.06 118.70 122.41 2jj6 s GLU 68 Ca 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 54.97 55.37 2jj6 s GLU 68 Cb 0.00 -3.52 -0.06 0.00 2.00 0.00 0.00 34.13 32.54 2jj6 s GLU 68 CO 0.00 -0.08 0.49 1.03 -0.56 0.00 0.00 175.26 176.14 2jj6 s ARG 69 N 1.38 3.91 0.00 4.30 1.81 -1.26 -0.26 118.95 128.83 2jj6 s ARG 69 Ca 0.27 0.39 0.00 0.00 -1.72 0.00 0.00 55.73 54.67 2jj6 s ARG 69 Cb -0.16 -2.99 0.00 0.00 -0.45 0.00 0.00 34.95 31.36 2jj6 s ARG 69 CO 0.11 0.53 0.00 0.41 -0.68 0.00 0.00 175.30 175.67 2jj6 n GLY 70 N 0.95 1.51 3.67 -3.53 0.00 -1.10 -4.99 105.19 101.71 2jj6 n GLY 70 Ca -0.07 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 2jj6 n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jj6 s GLU 71 N 2.73 4.29 -0.02 1.61 2.12 -1.26 -4.85 118.70 123.33 2jj6 s GLU 71 Ca 0.00 1.70 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 2jj6 s GLU 71 Cb 0.00 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 2jj6 s GLU 71 CO 0.00 -0.58 1.02 -2.00 -0.54 0.00 0.00 175.26 173.16 2jj6 s GLU 72 N 2.83 4.51 0.19 4.30 2.12 -1.26 -4.68 118.70 126.71 2jj6 s GLU 72 Ca 0.56 1.46 0.07 0.00 0.36 0.00 0.00 54.97 57.42 2jj6 s GLU 72 Cb -0.24 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2jj6 s GLU 72 CO 0.19 -0.14 0.06 -0.65 -0.54 0.00 0.00 175.26 174.18 2jj6 s GLN 73 N 1.27 2.59 0.00 4.30 -0.21 -0.65 -4.95 119.66 122.00 2jj6 s GLN 73 Ca 0.52 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.82 2jj6 s GLN 73 Cb -0.21 -2.43 0.00 0.00 1.00 0.00 0.00 33.01 31.36 2jj6 s GLN 73 CO 0.26 0.44 0.00 -1.13 -2.12 0.00 0.00 175.29 172.74 2jj6 n SER 74 N -0.42 0.00 -4.68 5.90 3.41 -1.26 -1.96 113.62 114.61 2jj6 n SER 74 Ca -0.09 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.07 2jj6 n SER 74 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2jj6 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jj6 n ALA 75 N 0.00 1.57 -3.63 7.33 0.00 -1.26 -4.65 120.51 119.87 2jj6 n ALA 75 Ca 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.73 2jj6 n ALA 75 Cb 0.00 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 16.95 2jj6 n ALA 75 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2jj6 s ILE 76 N 1.73 0.00 0.46 0.00 2.07 -1.26 -4.91 121.20 119.29 2jj6 s ILE 76 Ca 0.81 0.00 0.21 0.00 -1.41 0.00 0.00 60.65 60.26 2jj6 s ILE 76 Cb -0.63 -1.00 0.39 0.00 0.13 0.00 0.00 42.46 41.35 2jj6 s ILE 76 CO 0.39 0.00 1.91 -0.65 -1.91 0.00 0.00 174.94 174.68 2jj6 h PRO 77 N 4.35 0.26 0.00 3.50 0.11 -1.93 -3.45 132.00 134.83 2jj6 h PRO 77 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2jj6 h PRO 77 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jj6 h PRO 77 CO 0.10 0.17 0.00 2.48 -0.21 0.00 0.00 178.00 180.54 2jj6 n TYR 78 N -4.43 0.00 -2.72 0.65 0.18 -1.26 -5.12 117.16 104.46 2jj6 n TYR 78 Ca 0.16 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.51 2jj6 n TYR 78 Cb 0.67 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.60 2jj6 n TYR 78 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 2jj6 s PHE 79 N -2.00 2.84 -0.93 -3.48 5.36 -1.26 -4.92 117.98 113.58 2jj6 s PHE 79 Ca 0.00 0.47 0.27 0.00 -0.96 0.00 0.00 56.93 56.71 2jj6 s PHE 79 Cb 0.00 -4.21 0.93 0.00 -0.34 0.00 0.00 43.02 39.40 2jj6 s PHE 79 CO 0.00 -1.24 1.73 -2.30 -1.46 0.00 0.00 175.22 171.95 2jj6 n PRO 80 N 7.58 0.06 -2.79 10.12 -0.02 -1.26 -4.75 135.00 143.95 2jj6 n PRO 80 Ca 0.08 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 2jj6 n PRO 80 Cb 0.49 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 2jj6 n PRO 80 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2jj6 s PHE 81 N -3.03 2.90 -0.14 6.00 0.08 -1.26 -4.99 117.98 117.54 2jj6 s PHE 81 Ca 0.12 -1.19 -0.05 0.00 0.12 0.00 0.00 56.93 55.93 2jj6 s PHE 81 Cb 0.17 -4.44 -0.04 0.00 -0.57 0.00 0.00 43.02 38.15 2jj6 s PHE 81 CO 0.60 -1.66 0.04 0.96 -0.10 0.00 0.00 175.22 175.06 2jj6 s ILE 82 N 3.54 4.64 0.07 0.64 -4.36 -1.26 -5.03 121.20 119.43 2jj6 s ILE 82 Ca 0.38 -0.11 -0.30 0.00 -0.26 0.00 0.00 60.65 60.36 2jj6 s ILE 82 Cb -0.03 -3.03 -0.16 0.00 1.25 0.00 0.00 42.46 40.49 2jj6 s ILE 82 CO -0.10 0.54 0.74 -2.65 0.24 0.00 0.00 174.94 173.71 2jj6 n PRO 83 N 2.80 0.00 -0.92 0.37 -0.02 -1.26 -1.42 135.00 134.55 2jj6 n PRO 83 Ca -0.18 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.25 2jj6 n PRO 83 Cb 0.53 -1.13 -0.02 0.00 -0.02 0.00 0.00 33.50 32.86 2jj6 n PRO 83 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2jj6 n ASP 84 N 1.47 -3.72 -4.95 2.55 9.92 0.43 -4.91 116.55 117.34 2jj6 n ASP 84 Ca 0.17 0.12 -0.23 0.00 -0.53 0.00 0.00 54.79 54.32 2jj6 n ASP 84 Cb 0.13 -2.74 0.03 0.00 -0.64 0.00 0.00 41.12 37.90 2jj6 n ASP 84 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2jj6 s GLN 85 N -1.97 2.70 0.21 -1.24 -1.52 -0.51 -4.78 119.66 112.56 2jj6 s GLN 85 Ca 0.00 -0.46 -0.05 0.00 -1.95 0.00 0.00 55.36 52.89 2jj6 s GLN 85 Cb 0.00 -2.41 -0.06 0.00 -0.22 0.00 0.00 33.01 30.32 2jj6 s GLN 85 CO 0.00 -0.68 0.47 -2.14 -0.25 0.00 0.00 175.29 172.69 2jj6 s PRO 86 N -4.83 3.65 -0.28 2.91 0.02 -1.26 -3.16 135.00 132.05 2jj6 s PRO 86 Ca 0.55 -0.02 -0.21 0.00 0.02 0.00 0.00 61.00 61.33 2jj6 s PRO 86 Cb -0.10 -2.74 0.08 0.00 0.02 0.00 0.00 34.50 31.76 2jj6 s PRO 86 CO 0.41 0.35 0.75 -0.59 -0.33 0.00 0.00 177.00 177.59 2jj6 s PHE 87 N -1.85 -0.84 -0.30 6.54 -0.12 -1.01 -4.97 117.98 115.42 2jj6 s PHE 87 Ca 0.43 1.89 0.02 0.00 -0.05 0.00 0.00 56.93 59.22 2jj6 s PHE 87 Cb -0.11 0.41 0.09 0.00 -0.63 0.00 0.00 43.02 42.77 2jj6 s PHE 87 CO 0.26 -0.41 0.02 -0.98 -0.05 0.00 0.00 175.22 174.06 2jj6 s ARG 88 N 0.85 1.43 -0.09 1.99 1.70 -1.26 -1.23 118.95 122.34 2jj6 s ARG 88 Ca -0.04 -1.46 -0.24 0.00 -0.47 0.00 0.00 55.73 53.53 2jj6 s ARG 88 Cb -0.05 -2.78 -0.03 0.00 -0.57 0.00 0.00 34.95 31.52 2jj6 s ARG 88 CO -0.08 -0.84 0.71 0.08 -1.08 0.00 0.00 175.30 174.10 2jj6 s VAL 89 N 1.18 5.02 -0.12 4.99 1.01 -0.90 -0.76 120.40 130.82 2jj6 s VAL 89 Ca 0.05 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.51 2jj6 s VAL 89 Cb -0.19 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2jj6 s VAL 89 CO -0.11 0.21 -0.19 -1.61 0.00 0.00 0.00 175.10 173.40 2jj6 s GLU 90 N 1.06 2.62 -0.37 2.72 2.02 0.43 -1.16 118.70 126.02 2jj6 s GLU 90 Ca 0.37 -0.71 -0.03 0.00 0.02 0.00 0.00 54.97 54.62 2jj6 s GLU 90 Cb -0.17 -2.13 0.09 0.00 0.10 0.00 0.00 34.13 32.01 2jj6 s GLU 90 CO 0.17 0.00 0.13 0.42 0.02 0.00 0.00 175.26 176.01 2jj6 s ILE 91 N 0.79 3.23 -0.10 -1.63 1.01 -0.25 0.09 121.20 124.35 2jj6 s ILE 91 Ca -0.09 -1.79 -0.21 0.00 0.00 0.00 0.00 60.65 58.56 2jj6 s ILE 91 Cb -0.16 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2jj6 s ILE 91 CO 0.00 -0.48 0.59 -0.22 0.00 0.00 0.00 174.94 174.84 2jj6 s LEU 92 N 1.19 4.29 -0.17 2.97 2.96 0.45 -1.51 118.68 128.85 2jj6 s LEU 92 Ca 0.04 1.00 -0.13 0.00 -0.22 0.00 0.00 54.13 54.82 2jj6 s LEU 92 Cb -0.22 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 2jj6 s LEU 92 CO -0.03 -0.07 0.24 0.00 -1.32 0.00 0.00 176.35 175.18 2jj6 s GLU 94 N 0.43 1.44 0.20 0.00 2.02 0.05 -0.16 118.70 122.69 2jj6 s GLU 94 Ca 0.14 -1.71 -0.11 0.00 0.02 0.00 0.00 54.97 53.31 2jj6 s GLU 94 Cb -0.12 -1.03 0.27 0.00 0.10 0.00 0.00 34.13 33.34 2jj6 s GLU 94 CO 0.02 0.05 1.69 1.25 0.02 0.00 0.00 175.26 178.29 2jj6 h HIS 95 N 2.39 0.07 0.00 1.61 -0.00 -1.95 -2.88 115.15 114.40 2jj6 h HIS 95 Ca -0.39 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 2jj6 h HIS 95 Cb 1.23 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 2jj6 h HIS 95 CO 0.67 -0.09 -0.63 -0.35 -0.00 0.00 0.00 177.93 177.53 2jj6 n PRO 96 N -5.20 0.05 -3.66 5.26 -0.04 -1.26 -4.91 135.00 125.25 2jj6 n PRO 96 Ca 0.08 0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 2jj6 n PRO 96 Cb 0.32 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 2jj6 n PRO 96 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2jj6 s ARG 97 N -3.03 0.93 0.09 0.54 1.70 -1.09 -2.31 118.95 115.78 2jj6 s ARG 97 Ca 0.09 -0.47 -0.03 0.00 -0.47 0.00 0.00 55.73 54.85 2jj6 s ARG 97 Cb 0.17 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.84 2jj6 s ARG 97 CO 0.74 -0.42 0.30 -0.06 -1.08 0.00 0.00 175.30 174.77 2jj6 s PHE 98 N -3.06 3.51 -0.14 5.89 0.08 0.61 -0.77 117.98 124.10 2jj6 s PHE 98 Ca 0.11 0.44 0.01 0.00 0.12 0.00 0.00 56.93 57.61 2jj6 s PHE 98 Cb -0.00 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 2jj6 s PHE 98 CO -0.02 0.52 -0.16 1.03 -0.10 0.00 0.00 175.22 176.50 2jj6 s ARG 99 N -2.46 2.38 -0.10 0.44 0.52 0.68 -1.03 118.95 119.38 2jj6 s ARG 99 Ca 0.37 -0.60 -0.06 0.00 -0.52 0.00 0.00 55.73 54.91 2jj6 s ARG 99 Cb -0.13 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 2jj6 s ARG 99 CO 0.25 -0.16 0.14 0.08 0.02 0.00 0.00 175.30 175.62 2jj6 s VAL 100 N 1.26 5.45 0.09 3.52 1.01 -0.47 -0.42 120.40 130.84 2jj6 s VAL 100 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.17 2jj6 s VAL 100 Cb -0.14 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2jj6 s VAL 100 CO -0.07 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.10 2jj6 s PHE 101 N -1.07 1.31 -0.04 5.22 0.40 0.11 -1.63 117.98 122.29 2jj6 s PHE 101 Ca 0.17 -0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 2jj6 s PHE 101 Cb -0.12 -0.71 0.03 0.00 0.51 0.00 0.00 43.02 42.73 2jj6 s PHE 101 CO 0.06 0.09 0.06 0.54 0.70 0.00 0.00 175.22 176.68 2jj6 s VAL 102 N -1.70 -0.11 -1.71 -0.44 0.11 0.35 -0.43 120.40 116.47 2jj6 s VAL 102 Ca 0.03 0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 59.45 2jj6 s VAL 102 Cb -0.07 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 2jj6 s VAL 102 CO 0.02 0.16 0.14 0.47 -3.33 0.00 0.00 175.10 172.56 2jj6 n ASP 103 N 5.03 -5.90 0.00 3.54 8.00 0.06 -0.06 116.55 127.22 2jj6 n ASP 103 Ca -0.09 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2jj6 n ASP 103 Cb 0.50 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 2jj6 n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jj6 n GLY 104 N -1.13 0.88 3.61 0.44 0.00 -1.26 -5.00 105.19 102.74 2jj6 n GLY 104 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2jj6 n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jj6 s HIS 105 N -3.51 3.25 0.27 1.61 3.76 0.91 -5.04 115.29 116.55 2jj6 s HIS 105 Ca 0.00 0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 54.68 2jj6 s HIS 105 Cb 0.00 -2.19 -0.10 0.00 1.11 0.00 0.00 32.58 31.40 2jj6 s HIS 105 CO 0.00 0.03 1.23 -1.14 -0.85 0.00 0.00 174.74 174.01 2jj6 s GLN 106 N 0.90 4.46 -0.08 1.40 0.74 -1.26 0.13 119.66 125.96 2jj6 s GLN 106 Ca 0.06 2.02 0.03 0.00 0.05 0.00 0.00 55.36 57.52 2jj6 s GLN 106 Cb -0.13 -3.15 -0.07 0.00 1.10 0.00 0.00 33.01 30.76 2jj6 s GLN 106 CO 0.03 -0.07 -0.03 1.28 -0.55 0.00 0.00 175.29 175.96 2jj6 n LEU 107 N 1.46 1.46 0.00 3.68 4.77 -0.65 -4.88 117.00 122.84 2jj6 n LEU 107 Ca 0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2jj6 n LEU 107 Cb 0.43 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2jj6 n LEU 107 CO 0.57 0.40 0.00 2.22 -1.33 0.00 0.00 177.39 179.25 2jj6 n PHE 108 N -2.49 0.00 -4.24 -1.77 1.16 -1.25 -4.52 117.46 104.36 2jj6 n PHE 108 Ca -0.13 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.19 2jj6 n PHE 108 Cb 0.69 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.48 2jj6 n PHE 108 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2jj6 s ASP 109 N 0.00 4.64 -0.19 5.98 1.01 -1.26 -1.37 116.67 125.48 2jj6 s ASP 109 Ca 0.00 -0.47 -0.04 0.00 0.71 0.00 0.00 52.55 52.74 2jj6 s ASP 109 Cb 0.00 -0.94 0.06 0.00 1.01 0.00 0.00 42.92 43.06 2jj6 s ASP 109 CO 0.00 0.07 0.08 0.12 0.21 0.00 0.00 175.17 175.65 2jj6 s PHE 110 N -1.84 0.45 0.29 4.23 5.36 -0.20 -4.97 117.98 121.30 2jj6 s PHE 110 Ca 0.28 -0.53 -0.29 0.00 -0.96 0.00 0.00 56.93 55.42 2jj6 s PHE 110 Cb -0.09 -0.82 -0.09 0.00 -0.34 0.00 0.00 43.02 41.68 2jj6 s PHE 110 CO 0.18 -0.57 1.09 0.71 -1.46 0.00 0.00 175.22 175.17 2jj6 s TYR 111 N 2.05 3.56 0.23 10.12 1.51 -1.26 -0.28 117.35 133.28 2jj6 s TYR 111 Ca 0.02 1.70 -0.32 0.00 -1.01 0.00 0.00 57.07 57.46 2jj6 s TYR 111 Cb -0.16 -3.27 -0.13 0.00 -0.11 0.00 0.00 41.96 38.29 2jj6 s TYR 111 CO -0.11 -0.54 1.57 0.72 -1.11 0.00 0.00 175.55 176.07 2jj6 n HIS 112 N 1.10 2.51 -0.06 2.71 8.25 -0.98 -4.88 115.22 123.87 2jj6 n HIS 112 Ca -0.01 0.25 -0.10 0.00 -0.26 0.00 0.00 57.72 57.61 2jj6 n HIS 112 Cb 0.45 -2.57 -0.05 0.00 1.12 0.00 0.00 29.99 28.95 2jj6 n HIS 112 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jj6 n ARG 113 N 2.87 0.27 -2.87 -0.41 1.74 -1.26 -4.83 116.66 112.18 2jj6 n ARG 113 Ca 0.13 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.86 2jj6 n ARG 113 Cb 0.33 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.60 2jj6 n ARG 113 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jj6 s ILE 114 N -2.23 4.54 0.22 0.55 1.01 -1.26 -4.92 121.20 119.13 2jj6 s ILE 114 Ca -0.16 0.71 0.09 0.00 0.00 0.00 0.00 60.65 61.28 2jj6 s ILE 114 Cb 0.05 -4.38 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 2jj6 s ILE 114 CO 0.25 -0.75 1.51 1.56 0.00 0.00 0.00 174.94 177.50 2jj6 h GLN 115 N 8.97 0.03 -5.55 2.79 1.08 -2.01 -3.39 115.11 117.01 2jj6 h GLN 115 Ca -0.24 -0.02 -0.69 0.00 -1.45 0.00 0.00 58.65 56.24 2jj6 h GLN 115 Cb 1.08 0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 28.41 2jj6 h GLN 115 CO 1.00 0.75 1.89 0.99 -0.95 0.00 0.00 178.83 182.51 2jj6 s THR 116 N -3.36 4.37 0.45 -0.54 2.01 -1.26 -4.79 115.64 112.53 2jj6 s THR 116 Ca -0.01 -2.03 0.17 0.00 0.31 0.00 0.00 61.69 60.13 2jj6 s THR 116 Cb 0.12 -5.10 0.35 0.00 0.01 0.00 0.00 72.50 67.88 2jj6 s THR 116 CO 0.78 -1.90 1.96 -0.07 -0.69 0.00 0.00 174.62 174.71 2jj6 h LEU 117 N 11.74 0.30 -1.97 4.42 3.38 -1.85 0.32 115.31 131.65 2jj6 h LEU 117 Ca 0.39 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2jj6 h LEU 117 Cb 0.88 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2jj6 h LEU 117 CO 1.39 0.17 -0.06 0.77 0.09 0.00 0.00 178.44 180.79 2jj6 h SER 118 N 0.33 0.00 1.06 -0.43 4.64 -1.86 -1.40 113.55 115.88 2jj6 h SER 118 Ca 0.30 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.59 2jj6 h SER 118 Cb 0.74 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2jj6 h SER 118 CO -0.08 0.06 -0.16 0.00 -0.87 0.00 0.00 176.83 175.79 2jj6 h ALA 119 N 1.94 1.00 -1.09 5.18 0.00 -1.25 -3.37 119.26 121.66 2jj6 h ALA 119 Ca -0.00 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 54.26 2jj6 h ALA 119 Cb 0.12 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2jj6 h ALA 119 CO 0.01 0.20 1.22 0.42 0.00 0.00 0.00 179.25 181.10 2jj6 s ILE 120 N -3.59 3.72 -0.04 0.00 1.01 -0.68 -4.14 121.20 117.48 2jj6 s ILE 120 Ca 0.01 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.35 2jj6 s ILE 120 Cb 0.09 -4.67 0.08 0.00 0.01 0.00 0.00 42.46 37.97 2jj6 s ILE 120 CO 0.62 -1.59 1.01 -0.90 0.00 0.00 0.00 174.94 174.08 2jj6 n ASP 121 N 10.58 1.93 -3.87 3.58 5.75 -0.97 -2.00 116.55 131.55 2jj6 n ASP 121 Ca 0.28 -2.24 -0.11 0.00 -0.01 0.00 0.00 54.79 52.71 2jj6 n ASP 121 Cb 0.50 -0.12 -0.10 0.00 -1.03 0.00 0.00 41.12 40.37 2jj6 n ASP 121 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2jj6 s THR 122 N -1.44 0.09 -0.10 2.12 -1.32 -0.92 0.54 115.64 114.62 2jj6 s THR 122 Ca 0.09 -0.74 0.03 0.00 -1.21 0.00 0.00 61.69 59.86 2jj6 s THR 122 Cb 0.08 -0.54 -0.01 0.00 -1.51 0.00 0.00 72.50 70.52 2jj6 s THR 122 CO 0.01 -0.41 -0.20 -0.51 -2.21 0.00 0.00 174.62 171.30 2jj6 s ILE 123 N -1.63 2.43 -0.12 5.08 2.07 -0.61 -0.18 121.20 128.23 2jj6 s ILE 123 Ca -0.13 -0.90 0.03 0.00 -1.41 0.00 0.00 60.65 58.25 2jj6 s ILE 123 Cb -0.06 -1.95 0.00 0.00 0.13 0.00 0.00 42.46 40.58 2jj6 s ILE 123 CO 0.01 0.55 -0.23 -0.54 -1.91 0.00 0.00 174.94 172.82 2jj6 s LYS 124 N 0.17 3.05 -0.01 3.50 1.02 0.24 -1.59 119.74 126.11 2jj6 s LYS 124 Ca -0.11 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.06 2jj6 s LYS 124 Cb -0.16 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 2jj6 s LYS 124 CO 0.06 0.11 -0.14 0.42 -0.92 0.00 0.00 175.35 174.88 2jj6 s ILE 125 N 0.51 1.13 0.31 2.17 1.01 -1.04 -0.56 121.20 124.71 2jj6 s ILE 125 Ca -0.15 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 2jj6 s ILE 125 Cb -0.17 -0.94 0.07 0.00 0.01 0.00 0.00 42.46 41.42 2jj6 s ILE 125 CO 0.05 0.32 0.89 -0.46 0.00 0.00 0.00 174.94 175.74 2jj6 n ASN 126 N 2.75 -2.07 0.00 3.58 6.94 -0.33 -0.06 115.26 126.08 2jj6 n ASN 126 Ca -0.14 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.11 2jj6 n ASN 126 Cb 0.55 3.41 0.00 0.00 -2.36 0.00 0.00 39.78 41.38 2jj6 n ASN 126 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jj6 n GLY 127 N -0.62 -1.63 3.47 4.83 0.00 -1.26 -0.98 105.19 109.00 2jj6 n GLY 127 Ca -0.06 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 2jj6 n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jj6 n ASP 128 N 0.00 5.05 -3.64 1.61 8.00 -1.21 -4.89 116.55 121.47 2jj6 n ASP 128 Ca 0.00 -2.95 -0.05 0.00 0.71 0.00 0.00 54.79 52.50 2jj6 n ASP 128 Cb 0.00 -1.65 -0.02 0.00 -0.02 0.00 0.00 41.12 39.43 2jj6 n ASP 128 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2jj6 s LEU 129 N 2.75 -0.24 -0.06 0.64 2.34 -1.26 -3.24 118.68 119.61 2jj6 s LEU 129 Ca 0.48 -0.20 0.05 0.00 0.06 0.00 0.00 54.13 54.52 2jj6 s LEU 129 Cb 0.01 2.01 -0.01 0.00 -0.56 0.00 0.00 46.19 47.65 2jj6 s LEU 129 CO 0.04 -0.71 -0.23 -1.10 -1.06 0.00 0.00 176.35 173.28 2jj6 s GLN 130 N -3.12 2.50 -0.23 1.48 -0.21 0.16 -4.88 119.66 115.36 2jj6 s GLN 130 Ca 0.09 -0.84 -0.17 0.00 0.02 0.00 0.00 55.36 54.46 2jj6 s GLN 130 Cb -0.01 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 2jj6 s GLN 130 CO -0.03 0.31 0.48 0.42 -2.12 0.00 0.00 175.29 174.35 2jj6 s ILE 131 N -0.01 5.11 -0.07 1.08 1.01 -1.26 -0.47 121.20 126.60 2jj6 s ILE 131 Ca -0.07 0.84 0.20 0.00 0.00 0.00 0.00 60.65 61.62 2jj6 s ILE 131 Cb -0.14 -3.80 -0.30 0.00 0.01 0.00 0.00 42.46 38.23 2jj6 s ILE 131 CO 0.04 0.14 0.35 1.07 0.00 0.00 0.00 174.94 176.55 2jj6 n THR 132 N 4.85 0.30 -3.81 2.92 5.66 -0.80 -4.98 114.28 118.42 2jj6 n THR 132 Ca -0.05 -0.54 -0.08 0.00 -3.05 0.00 0.00 64.05 60.32 2jj6 n THR 132 Cb 0.50 -0.09 -0.03 0.00 -1.55 0.00 0.00 70.33 69.16 2jj6 n THR 132 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2jj6 s LYS 133 N -3.18 1.61 0.00 1.09 -2.85 -0.98 -5.03 119.74 110.40 2jj6 s LYS 133 Ca -0.08 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 53.94 2jj6 s LYS 133 Cb 0.11 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.45 2jj6 s LYS 133 CO 0.83 -0.72 0.04 1.28 0.10 0.00 0.00 175.35 176.88