#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jj6 s PRO 2 N 0.00 3.99 0.35 1.45 0.02 -1.26 -4.97 135.00 134.58 2jj6 s PRO 2 Ca 0.00 0.69 -0.25 0.00 0.02 0.00 0.00 61.00 61.45 2jj6 s PRO 2 Cb 0.00 -2.40 -0.10 0.00 0.02 0.00 0.00 34.50 32.02 2jj6 s PRO 2 CO 0.00 0.11 1.00 0.12 -0.33 0.00 0.00 177.00 177.90 2jj6 s PHE 3 N -2.05 3.51 -0.05 6.54 5.36 0.27 -4.90 117.98 126.65 2jj6 s PHE 3 Ca 0.55 1.72 0.01 0.00 -0.96 0.00 0.00 56.93 58.25 2jj6 s PHE 3 Cb -0.10 -3.03 0.02 0.00 -0.34 0.00 0.00 43.02 39.57 2jj6 s PHE 3 CO 0.19 -0.18 -0.07 0.00 -1.46 0.00 0.00 175.22 173.70 2jj6 s GLY 5 N 0.83 1.05 0.33 0.00 0.00 0.63 -4.96 107.32 105.19 2jj6 s GLY 5 Ca -0.12 -0.79 -0.26 0.00 0.00 0.00 0.00 44.72 43.55 2jj6 s GLY 5 CO 0.01 -0.39 0.96 -1.58 0.00 0.00 0.00 173.10 172.11 2jj6 s HIS 6 N 0.07 3.65 -0.45 1.90 2.46 -1.26 -0.81 115.29 120.85 2jj6 s HIS 6 Ca -0.06 1.77 0.03 0.00 0.47 0.00 0.00 55.06 57.27 2jj6 s HIS 6 Cb -0.13 -2.97 0.12 0.00 -0.13 0.00 0.00 32.58 29.47 2jj6 s HIS 6 CO 0.03 0.09 0.18 0.42 -2.47 0.00 0.00 174.74 172.99 2jj6 s ILE 7 N -1.58 2.54 -0.03 0.89 1.01 0.71 -4.90 121.20 119.83 2jj6 s ILE 7 Ca 0.50 -2.86 -0.36 0.00 0.00 0.00 0.00 60.65 57.93 2jj6 s ILE 7 Cb -0.20 -2.80 -0.14 0.00 0.01 0.00 0.00 42.46 39.33 2jj6 s ILE 7 CO 0.25 -0.72 1.66 1.17 0.00 0.00 0.00 174.94 177.31 2jj6 n LYS 8 N 3.64 1.72 -0.58 2.79 3.00 -1.26 -0.82 118.16 126.66 2jj6 n LYS 8 Ca 0.04 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 2jj6 n LYS 8 Cb 0.37 -2.37 0.00 0.00 0.00 0.00 0.00 35.03 33.02 2jj6 n LYS 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jj6 n GLY 9 N 3.71 1.52 7.00 3.14 0.00 -1.26 -4.90 105.19 114.41 2jj6 n GLY 9 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.28 3.93 -0.02 0.00 0.00 -4.62 105.19 102.20 2jj6 n GLY 10 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 3.10 -0.11 1.61 -1.94 -0.64 -4.91 119.30 116.40 2jj6 s MET 11 Ca 0.00 -0.19 -0.30 0.00 -1.71 0.00 0.00 55.69 53.49 2jj6 s MET 11 Cb 0.00 -2.42 0.12 0.00 2.01 0.00 0.00 34.83 34.54 2jj6 s MET 11 CO 0.00 -0.41 0.98 -0.98 -0.01 0.00 0.00 175.02 174.60 2jj6 s ARG 12 N -4.74 0.64 0.19 2.03 1.70 -1.26 -3.03 118.95 114.47 2jj6 s ARG 12 Ca 0.50 -0.02 -0.32 0.00 -0.47 0.00 0.00 55.73 55.42 2jj6 s ARG 12 Cb -0.10 0.30 -0.15 0.00 -0.57 0.00 0.00 34.95 34.43 2jj6 s ARG 12 CO 0.42 -0.24 1.19 -2.30 -1.08 0.00 0.00 175.30 173.29 2jj6 n PRO 13 N 0.36 1.31 0.00 3.89 -0.02 -1.26 -1.43 135.00 137.84 2jj6 n PRO 13 Ca -0.09 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2jj6 n PRO 13 Cb 0.59 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.97 3.20 3.76 -1.23 0.00 0.11 -5.00 105.19 108.01 2jj6 n GLY 14 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.49 4.63 -0.10 1.61 2.20 -0.51 -4.80 119.74 122.29 2jj6 s LYS 15 Ca 0.00 1.73 0.02 0.00 -0.36 0.00 0.00 55.97 57.36 2jj6 s LYS 15 Cb 0.00 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2jj6 s LYS 15 CO 0.00 0.23 -0.13 0.21 -0.36 0.00 0.00 175.35 175.30 2jj6 s LYS 16 N -1.50 1.94 -0.16 4.03 2.20 -1.26 -0.85 119.74 124.13 2jj6 s LYS 16 Ca 0.45 -0.46 -0.11 0.00 -0.36 0.00 0.00 55.97 55.49 2jj6 s LYS 16 Cb -0.30 -1.69 -0.05 0.00 -1.51 0.00 0.00 37.83 34.29 2jj6 s LYS 16 CO 0.39 -0.07 0.20 0.08 -0.36 0.00 0.00 175.35 175.59 2jj6 s VAL 17 N 1.00 5.37 -0.13 4.02 1.01 -0.01 -4.92 120.40 126.75 2jj6 s VAL 17 Ca -0.07 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2jj6 s VAL 17 Cb -0.15 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2jj6 s VAL 17 CO -0.01 0.46 -0.17 -0.22 0.00 0.00 0.00 175.10 175.16 2jj6 s LEU 18 N 0.08 2.44 -0.10 3.92 2.96 -1.26 -0.55 118.68 126.16 2jj6 s LEU 18 Ca 0.13 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2jj6 s LEU 18 Cb -0.12 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.06 2jj6 s LEU 18 CO 0.02 0.13 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.40 2jj6 s VAL 19 N 0.53 1.08 0.02 1.68 1.01 0.65 -4.44 120.40 120.93 2jj6 s VAL 19 Ca -0.11 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.60 2jj6 s VAL 19 Cb -0.16 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2jj6 s VAL 19 CO 0.04 0.37 -0.24 -0.04 0.00 0.00 0.00 175.10 175.23 2jj6 s MET 20 N 1.44 1.70 0.03 2.72 -1.94 -0.78 0.56 119.30 123.02 2jj6 s MET 20 Ca 0.00 -0.97 -0.03 0.00 -1.71 0.00 0.00 55.69 52.98 2jj6 s MET 20 Cb -0.13 -1.78 0.01 0.00 2.01 0.00 0.00 34.83 34.94 2jj6 s MET 20 CO -0.05 0.47 0.15 0.41 -0.01 0.00 0.00 175.02 175.98 2jj6 n GLY 21 N 2.03 1.21 3.00 -0.03 0.00 -1.03 -0.61 105.19 109.76 2jj6 n GLY 21 Ca -0.17 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.50 0.99 0.35 -0.61 1.01 0.14 -1.33 121.20 119.25 2jj6 s ILE 22 Ca 0.03 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 2jj6 s ILE 22 Cb -0.00 -0.91 -0.09 0.00 0.01 0.00 0.00 42.46 41.46 2jj6 s ILE 22 CO 0.01 0.32 1.15 -0.69 0.00 0.00 0.00 174.94 175.73 2jj6 s VAL 23 N 0.64 3.27 0.85 2.92 1.01 -1.03 -0.30 120.40 127.76 2jj6 s VAL 23 Ca -0.13 1.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.91 2jj6 s VAL 23 Cb -0.15 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.64 2jj6 s VAL 23 CO 0.03 0.19 1.11 -1.81 0.00 0.00 0.00 175.10 174.62 2jj6 s ASP 24 N -0.99 3.70 0.20 3.32 1.01 -0.30 -1.12 116.67 122.49 2jj6 s ASP 24 Ca 0.51 1.96 -0.11 0.00 0.71 0.00 0.00 52.55 55.62 2jj6 s ASP 24 Cb -0.32 -2.52 0.15 0.00 1.01 0.00 0.00 42.92 41.24 2jj6 s ASP 24 CO 0.41 -2.57 1.86 0.25 0.21 0.00 0.00 175.17 175.32 2jj6 h LEU 25 N -1.50 0.75 -6.03 1.23 5.85 -1.91 -2.15 115.31 111.55 2jj6 h LEU 25 Ca -0.44 -0.01 -0.58 0.00 0.84 0.00 0.00 57.88 57.69 2jj6 h LEU 25 Cb 1.25 -0.18 -0.41 0.00 0.37 0.00 0.00 40.66 41.70 2jj6 h LEU 25 CO 0.47 0.53 -0.80 0.59 -0.34 0.00 0.00 178.44 178.89 2jj6 n ASN 26 N -4.64 2.50 -4.79 1.25 3.02 -1.26 -4.52 115.26 106.82 2jj6 n ASN 26 Ca 0.06 -3.20 -0.35 0.00 -0.03 0.00 0.00 54.58 51.06 2jj6 n ASN 26 Cb 0.05 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.55 2jj6 n ASN 26 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2jj6 s PRO 27 N -2.16 3.71 -0.17 3.52 0.04 -1.23 -4.97 135.00 133.74 2jj6 s PRO 27 Ca 0.39 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 2jj6 s PRO 27 Cb 0.18 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2jj6 s PRO 27 CO -0.06 -0.53 -0.20 0.39 0.04 0.00 0.00 177.00 176.64 2jj6 n GLU 28 N -0.91 0.38 -3.63 4.56 -0.58 -1.26 -4.76 120.64 114.44 2jj6 n GLU 28 Ca 0.09 0.14 0.01 0.00 -0.42 0.00 0.00 57.16 56.98 2jj6 n GLU 28 Cb 0.51 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 30.19 2jj6 n GLU 28 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2jj6 s SER 29 N -6.24 -0.07 0.21 1.62 1.04 -1.26 -1.78 113.70 107.21 2jj6 s SER 29 Ca -0.24 -0.16 -0.19 0.00 0.48 0.00 0.00 55.95 55.85 2jj6 s SER 29 Cb 0.08 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2jj6 s SER 29 CO 0.33 -0.36 0.56 0.72 0.98 0.00 0.00 173.24 175.47 2jj6 s PHE 30 N -2.51 -0.16 0.00 5.02 -0.71 -0.97 -0.24 117.98 118.41 2jj6 s PHE 30 Ca 0.14 -0.18 -0.02 0.00 -1.04 0.00 0.00 56.93 55.83 2jj6 s PHE 30 Cb 0.04 0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 42.30 2jj6 s PHE 30 CO -0.03 -0.96 0.03 0.00 -1.34 0.00 0.00 175.22 172.91 2jj6 s ALA 31 N -3.87 -0.04 -0.09 1.99 0.00 -0.07 -1.60 121.76 118.08 2jj6 s ALA 31 Ca 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 2jj6 s ALA 31 Cb -0.02 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2jj6 s ALA 31 CO -0.02 -0.12 -0.06 0.42 0.00 0.00 0.00 175.76 175.98 2jj6 s ILE 32 N -0.94 0.83 0.08 0.00 1.01 0.03 -2.27 121.20 119.94 2jj6 s ILE 32 Ca -0.10 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.39 2jj6 s ILE 32 Cb -0.06 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 2jj6 s ILE 32 CO -0.00 0.33 -0.09 -0.44 0.00 0.00 0.00 174.94 174.74 2jj6 s SER 33 N 1.60 1.20 -0.16 3.58 0.01 0.61 0.18 113.70 120.71 2jj6 s SER 33 Ca 0.02 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 56.49 2jj6 s SER 33 Cb -0.13 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 2jj6 s SER 33 CO -0.05 -0.28 -0.09 -0.76 0.41 0.00 0.00 173.24 172.46 2jj6 s LEU 34 N -2.28 2.86 0.35 2.44 1.02 -0.26 -0.55 118.68 122.26 2jj6 s LEU 34 Ca 0.02 -0.32 0.03 0.00 0.02 0.00 0.00 54.13 53.88 2jj6 s LEU 34 Cb -0.04 -1.68 -0.05 0.00 0.02 0.00 0.00 46.19 44.45 2jj6 s LEU 34 CO -0.01 0.11 0.09 0.42 0.02 0.00 0.00 176.35 176.97 2jj6 s THR 35 N 0.72 0.90 -0.65 5.49 -4.23 0.44 -0.84 115.64 117.48 2jj6 s THR 35 Ca -0.04 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.31 2jj6 s THR 35 Cb -0.15 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 71.24 2jj6 s THR 35 CO 0.02 0.00 0.62 0.00 -0.54 0.00 0.00 174.62 174.72 2jj6 n GLY 37 N 4.83 -0.82 0.42 0.00 0.00 -1.26 -4.30 105.19 104.07 2jj6 n GLY 37 Ca -0.04 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.39 2.92 -4.73 1.61 3.85 -1.26 -4.70 116.55 112.86 2jj6 n ASP 38 Ca 0.00 -2.76 -0.42 0.00 -0.71 0.00 0.00 54.79 50.89 2jj6 n ASP 38 Cb 0.00 -0.38 -0.01 0.00 -1.35 0.00 0.00 41.12 39.38 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 -0.72 3.27 -0.07 -1.12 2.88 -1.26 -4.88 113.62 111.72 2jj6 n SER 39 Ca 0.15 1.19 -0.15 0.00 -1.33 0.00 0.00 58.87 58.74 2jj6 n SER 39 Cb 0.64 -1.54 -0.05 0.00 -0.75 0.00 0.00 64.21 62.52 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 1.04 0.30 -3.35 -1.46 -0.58 -1.26 -1.31 120.64 114.02 2jj6 n GLU 40 Ca 0.05 0.13 -0.46 0.00 -0.42 0.00 0.00 57.16 56.46 2jj6 n GLU 40 Cb 0.36 -1.01 -0.02 0.00 -0.57 0.00 0.00 31.44 30.20 2jj6 n GLU 40 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jj6 s ASP 41 N -6.26 6.70 0.00 1.62 -1.08 -1.26 -1.57 116.67 114.81 2jj6 s ASP 41 Ca -0.20 -2.74 0.00 0.00 -0.52 0.00 0.00 52.55 49.09 2jj6 s ASP 41 Cb 0.07 -2.19 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 2jj6 s ASP 41 CO 0.25 -0.55 0.00 -2.65 0.52 0.00 0.00 175.17 172.74 2jj6 n PRO 42 N 3.89 0.00 -1.62 4.34 -0.02 -1.26 -5.07 135.00 135.26 2jj6 n PRO 42 Ca 0.14 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.14 2jj6 n PRO 42 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.90 2jj6 n PRO 42 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jj6 n PRO 43 N 0.00 1.54 -1.75 0.52 -0.02 -0.61 -4.72 135.00 129.96 2jj6 n PRO 43 Ca 0.00 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 2jj6 n PRO 43 Cb 0.00 -2.16 0.06 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.16 2.39 0.47 3.55 0.00 -0.43 -4.92 121.76 122.98 2jj6 s ALA 44 Ca 0.75 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 53.24 2jj6 s ALA 44 Cb -0.80 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 18.85 2jj6 s ALA 44 CO 0.48 -1.40 1.41 -0.51 0.00 0.00 0.00 175.76 175.74 2jj6 s ASP 45 N -2.13 5.73 -0.26 0.00 1.01 -1.26 -4.79 116.67 114.97 2jj6 s ASP 45 Ca 0.72 2.88 -0.06 0.00 0.71 0.00 0.00 52.55 56.80 2jj6 s ASP 45 Cb -0.26 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.02 2jj6 s ASP 45 CO 0.40 -1.27 0.05 -0.69 0.21 0.00 0.00 175.17 173.86 2jj6 s VAL 46 N -1.23 3.90 0.11 -1.27 1.01 0.27 -1.04 120.40 122.15 2jj6 s VAL 46 Ca 0.64 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2jj6 s VAL 46 Cb -0.43 -2.91 -0.17 0.00 0.00 0.00 0.00 36.38 32.87 2jj6 s VAL 46 CO 0.54 0.23 1.29 0.00 0.00 0.00 0.00 175.10 177.16 2jj6 h ALA 47 N 8.20 0.31 -2.36 5.51 0.00 -1.27 -1.36 119.26 128.29 2jj6 h ALA 47 Ca -0.36 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 53.84 2jj6 h ALA 47 Cb 1.15 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.70 2jj6 h ALA 47 CO 0.60 0.71 -0.10 -1.50 0.00 0.00 0.00 179.25 178.96 2jj6 s ILE 48 N -3.54 -0.01 -0.09 0.00 2.07 -1.14 -4.57 121.20 113.92 2jj6 s ILE 48 Ca -0.09 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.21 2jj6 s ILE 48 Cb 0.08 -0.79 0.01 0.00 0.13 0.00 0.00 42.46 41.89 2jj6 s ILE 48 CO 0.90 0.01 -0.18 -0.70 -1.91 0.00 0.00 174.94 173.06 2jj6 s GLU 49 N 0.95 2.41 -0.31 3.50 2.12 0.59 -1.10 118.70 126.86 2jj6 s GLU 49 Ca -0.05 -0.65 -0.05 0.00 0.36 0.00 0.00 54.97 54.58 2jj6 s GLU 49 Cb -0.05 -1.92 0.03 0.00 0.26 0.00 0.00 34.13 32.44 2jj6 s GLU 49 CO -0.08 0.05 0.06 -0.51 -0.54 0.00 0.00 175.26 174.25 2jj6 s LEU 50 N 0.64 3.99 -0.24 2.70 1.43 0.13 -2.63 118.68 124.70 2jj6 s LEU 50 Ca -0.14 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 51.98 2jj6 s LEU 50 Cb -0.16 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.27 2jj6 s LEU 50 CO 0.04 -0.25 -0.11 -0.75 0.23 0.00 0.00 176.35 175.50 2jj6 s LYS 51 N 1.40 2.54 -0.27 1.70 2.47 0.62 -0.79 119.74 127.41 2jj6 s LYS 51 Ca -0.01 -1.16 -0.18 0.00 -1.56 0.00 0.00 55.97 53.06 2jj6 s LYS 51 Cb -0.18 -2.87 -0.02 0.00 -1.46 0.00 0.00 37.83 33.30 2jj6 s LYS 51 CO 0.01 -0.46 0.54 0.00 0.16 0.00 0.00 175.35 175.60 2jj6 s ALA 52 N 1.20 3.58 -0.29 3.13 0.00 -0.63 -0.45 121.76 128.30 2jj6 s ALA 52 Ca -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 2jj6 s ALA 52 Cb -0.18 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.04 2jj6 s ALA 52 CO -0.06 -0.83 0.00 0.08 0.00 0.00 0.00 175.76 174.95 2jj6 s VAL 53 N 2.38 3.08 0.23 0.00 1.01 0.16 -2.30 120.40 124.97 2jj6 s VAL 53 Ca 0.22 -1.27 0.12 0.00 0.00 0.00 0.00 61.98 61.05 2jj6 s VAL 53 Cb -0.15 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2jj6 s VAL 53 CO 0.10 -0.05 1.62 -0.26 0.00 0.00 0.00 175.10 176.50 2jj6 h PHE 54 N 8.03 0.00 -0.71 5.22 -1.00 -1.63 -0.30 116.94 126.55 2jj6 h PHE 54 Ca -0.24 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.53 2jj6 h PHE 54 Cb 1.07 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.60 2jj6 h PHE 54 CO 0.61 0.58 0.41 0.00 -1.61 0.00 0.00 178.31 178.30 2jj6 h THR 55 N 0.00 1.21 -0.02 -1.55 1.03 -1.88 -2.70 112.91 109.01 2jj6 h THR 55 Ca -0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 2jj6 h THR 55 Cb 1.09 0.25 0.00 0.00 -1.07 0.00 0.00 68.15 68.42 2jj6 h THR 55 CO 0.08 0.23 -0.47 0.47 -0.01 0.00 0.00 175.52 175.81 2jj6 n ASP 56 N -4.51 2.02 -3.63 0.00 8.00 -1.23 -4.98 116.55 112.23 2jj6 n ASP 56 Ca 0.06 -1.51 -0.20 0.00 0.71 0.00 0.00 54.79 53.85 2jj6 n ASP 56 Cb 0.07 0.47 0.05 0.00 -0.02 0.00 0.00 41.12 41.70 2jj6 n ASP 56 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jj6 n ARG 57 N -0.03 -5.55 -4.46 -1.24 1.74 -0.24 -5.00 116.66 101.88 2jj6 n ARG 57 Ca 0.09 0.69 -0.31 0.00 -0.77 0.00 0.00 57.85 57.56 2jj6 n ARG 57 Cb 0.47 -5.42 -0.11 0.00 -1.02 0.00 0.00 32.46 26.37 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 -5.83 2.26 -0.36 5.56 -1.52 -0.52 -4.63 119.66 114.61 2jj6 s GLN 58 Ca 0.05 -0.90 0.03 0.00 -1.95 0.00 0.00 55.36 52.59 2jj6 s GLN 58 Cb -0.02 -2.33 0.10 0.00 -0.22 0.00 0.00 33.01 30.54 2jj6 s GLN 58 CO 0.79 0.55 0.08 -1.17 -0.25 0.00 0.00 175.29 175.29 2jj6 s LEU 59 N -1.65 4.38 -0.03 2.90 2.96 -1.26 -0.67 118.68 125.31 2jj6 s LEU 59 Ca 0.17 -2.21 -0.13 0.00 -0.22 0.00 0.00 54.13 51.74 2jj6 s LEU 59 Cb -0.11 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 2jj6 s LEU 59 CO 0.08 -0.36 0.35 -0.76 -1.32 0.00 0.00 176.35 174.34 2jj6 s LEU 60 N 0.83 4.45 0.02 -0.68 1.43 0.41 -4.46 118.68 120.67 2jj6 s LEU 60 Ca 0.12 0.84 0.08 0.00 -1.03 0.00 0.00 54.13 54.14 2jj6 s LEU 60 Cb -0.20 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 2jj6 s LEU 60 CO -0.09 0.34 -0.23 -0.13 0.23 0.00 0.00 176.35 176.46 2jj6 s ARG 61 N -1.01 1.69 0.27 1.70 3.00 0.16 -0.27 118.95 124.49 2jj6 s ARG 61 Ca 0.22 -0.95 -0.19 0.00 0.00 0.00 0.00 55.73 54.80 2jj6 s ARG 61 Cb -0.16 -1.76 0.07 0.00 0.00 0.00 0.00 34.95 33.10 2jj6 s ARG 61 CO 0.11 0.46 0.94 1.21 0.00 0.00 0.00 175.30 178.03 2jj6 s ASN 62 N -0.96 0.01 0.19 0.23 3.84 -1.08 -1.25 114.94 115.92 2jj6 s ASN 62 Ca 0.09 -0.87 0.02 0.00 0.21 0.00 0.00 52.86 52.31 2jj6 s ASN 62 Cb -0.09 0.64 -0.05 0.00 -0.55 0.00 0.00 41.25 41.20 2jj6 s ASN 62 CO 0.01 -1.27 0.03 -0.94 -2.79 0.00 0.00 177.10 172.13 2jj6 s SER 63 N -3.29 1.19 -0.12 -4.21 1.04 -1.26 -0.30 113.70 106.75 2jj6 s SER 63 Ca 0.20 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 55.36 2jj6 s SER 63 Cb -0.04 0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.27 2jj6 s SER 63 CO 0.08 -0.61 0.15 0.00 0.98 0.00 0.00 173.24 173.84 2jj6 s ILE 65 N 2.26 1.50 -1.50 0.00 1.01 -0.25 -0.56 121.20 123.65 2jj6 s ILE 65 Ca 0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 2jj6 s ILE 65 Cb -0.14 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 40.91 2jj6 s ILE 65 CO -0.07 0.33 1.02 -1.20 0.00 0.00 0.00 174.94 175.01 2jj6 n SER 66 N 4.77 -5.03 0.00 3.58 7.64 -1.26 -0.80 113.62 122.52 2jj6 n SER 66 Ca -0.15 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2jj6 n SER 66 Cb 0.49 -4.08 0.00 0.00 -1.01 0.00 0.00 64.21 59.60 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 -1.75 2.96 3.63 0.23 0.00 -1.26 -5.00 105.19 104.01 2jj6 n GLY 67 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2jj6 n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jj6 s GLU 68 N -0.01 4.14 0.36 1.61 0.41 0.02 -5.04 118.70 120.18 2jj6 s GLU 68 Ca 0.00 0.63 -0.26 0.00 -0.41 0.00 0.00 54.97 54.93 2jj6 s GLU 68 Cb 0.00 -3.64 -0.09 0.00 -1.78 0.00 0.00 34.13 28.62 2jj6 s GLU 68 CO 0.00 -0.41 1.03 1.03 -0.49 0.00 0.00 175.26 176.42 2jj6 s ARG 69 N 2.48 4.37 0.00 1.61 1.81 -1.26 -1.09 118.95 126.87 2jj6 s ARG 69 Ca 0.28 1.51 0.00 0.00 -1.72 0.00 0.00 55.73 55.80 2jj6 s ARG 69 Cb -0.15 -2.73 0.00 0.00 -0.45 0.00 0.00 34.95 31.61 2jj6 s ARG 69 CO 0.08 0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.16 2jj6 n GLY 70 N 0.56 0.96 3.70 -3.53 0.00 -0.55 -4.97 105.19 101.35 2jj6 n GLY 70 Ca 0.03 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 1.75 4.42 -0.01 1.61 2.12 -1.26 -4.84 118.70 122.49 2jj6 s GLU 71 Ca 0.00 1.62 -0.28 0.00 0.36 0.00 0.00 54.97 56.67 2jj6 s GLU 71 Cb 0.00 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 2jj6 s GLU 71 CO 0.00 -0.31 0.90 -2.00 -0.54 0.00 0.00 175.26 173.31 2jj6 s GLU 72 N 1.67 4.53 0.01 4.30 2.12 -1.26 -4.65 118.70 125.42 2jj6 s GLU 72 Ca 0.55 1.27 0.05 0.00 0.36 0.00 0.00 54.97 57.20 2jj6 s GLU 72 Cb -0.25 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 2jj6 s GLU 72 CO 0.24 -0.00 -0.13 -0.65 -0.54 0.00 0.00 175.26 174.18 2jj6 s GLN 73 N 0.89 2.35 0.00 4.30 -0.21 -0.38 -4.94 119.66 121.67 2jj6 s GLN 73 Ca 0.48 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 55.04 2jj6 s GLN 73 Cb -0.20 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.46 2jj6 s GLN 73 CO 0.25 0.58 0.00 -1.13 -2.12 0.00 0.00 175.29 172.88 2jj6 n SER 74 N 1.72 0.25 -4.66 5.90 3.41 -1.26 -0.66 113.62 118.32 2jj6 n SER 74 Ca -0.16 -0.03 -0.53 0.00 -0.26 0.00 0.00 58.87 57.90 2jj6 n SER 74 Cb 0.52 0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.13 -0.10 -3.09 7.33 0.00 -1.26 -4.56 120.51 118.70 2jj6 n ALA 75 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 2jj6 n ALA 75 Cb 0.00 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.14 2jj6 n ALA 75 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2jj6 s ILE 76 N 2.15 0.07 0.20 0.00 -4.36 -1.26 -4.89 121.20 113.12 2jj6 s ILE 76 Ca 0.90 -0.60 -0.03 0.00 -0.26 0.00 0.00 60.65 60.65 2jj6 s ILE 76 Cb -0.92 -0.82 -0.02 0.00 1.25 0.00 0.00 42.46 41.95 2jj6 s ILE 76 CO 0.53 -0.33 1.56 -0.65 0.24 0.00 0.00 174.94 176.29 2jj6 h PRO 77 N 3.44 0.64 -2.57 0.37 0.11 -1.94 -3.47 132.00 128.58 2jj6 h PRO 77 Ca -0.31 -0.33 0.09 0.00 0.11 0.00 0.00 66.00 65.56 2jj6 h PRO 77 Cb 1.19 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 2jj6 h PRO 77 CO 0.44 0.93 0.38 1.52 -0.21 0.00 0.00 178.00 181.07 2jj6 s TYR 78 N -4.25 -0.32 -0.36 0.65 -0.85 -1.26 -5.12 117.35 105.84 2jj6 s TYR 78 Ca -0.08 0.08 -0.24 0.00 -0.52 0.00 0.00 57.07 56.31 2jj6 s TYR 78 Cb 0.12 0.59 0.01 0.00 0.38 0.00 0.00 41.96 43.06 2jj6 s TYR 78 CO 0.84 -0.78 0.84 0.12 -1.52 0.00 0.00 175.55 175.04 2jj6 s PHE 79 N -3.43 3.10 -0.72 -3.49 5.36 -1.26 -4.96 117.98 112.59 2jj6 s PHE 79 Ca 0.07 0.65 0.25 0.00 -0.96 0.00 0.00 56.93 56.94 2jj6 s PHE 79 Cb -0.02 -3.48 0.90 0.00 -0.34 0.00 0.00 43.02 40.08 2jj6 s PHE 79 CO -0.05 -0.76 1.76 -0.35 -1.46 0.00 0.00 175.22 174.36 2jj6 n PRO 80 N 6.54 0.20 -3.66 10.12 -0.04 -1.26 -4.86 135.00 142.03 2jj6 n PRO 80 Ca 0.05 0.24 -0.37 0.00 -0.04 0.00 0.00 63.50 63.38 2jj6 n PRO 80 Cb 0.48 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 2jj6 n PRO 80 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jj6 s PHE 81 N -3.14 3.57 -0.04 0.54 0.08 -1.26 -5.06 117.98 112.67 2jj6 s PHE 81 Ca 0.09 0.64 0.05 0.00 0.12 0.00 0.00 56.93 57.83 2jj6 s PHE 81 Cb 0.12 -2.17 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2jj6 s PHE 81 CO 0.52 0.51 -0.18 0.42 -0.10 0.00 0.00 175.22 176.39 2jj6 s ILE 82 N -0.42 1.51 0.32 0.64 1.01 -1.26 -5.10 121.20 117.91 2jj6 s ILE 82 Ca 0.17 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.79 2jj6 s ILE 82 Cb -0.13 -1.29 -0.14 0.00 0.01 0.00 0.00 42.46 40.91 2jj6 s ILE 82 CO 0.06 0.43 0.81 -2.65 0.00 0.00 0.00 174.94 173.59 2jj6 n PRO 83 N 3.05 0.94 -0.95 2.79 -0.02 -1.26 -1.40 135.00 138.15 2jj6 n PRO 83 Ca -0.18 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2jj6 n PRO 83 Cb 0.53 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2jj6 n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jj6 n ASP 84 N 1.28 -5.66 -4.63 2.55 2.03 -0.28 -4.91 116.55 106.93 2jj6 n ASP 84 Ca 0.11 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.08 2jj6 n ASP 84 Cb 0.34 -3.36 -0.10 0.00 -0.72 0.00 0.00 41.12 37.27 2jj6 n ASP 84 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2jj6 s GLN 85 N -1.90 3.08 0.62 -0.67 0.74 -0.49 -4.76 119.66 116.28 2jj6 s GLN 85 Ca 0.00 -0.46 -0.18 0.00 0.05 0.00 0.00 55.36 54.77 2jj6 s GLN 85 Cb 0.00 -2.78 -0.02 0.00 1.10 0.00 0.00 33.01 31.31 2jj6 s GLN 85 CO 0.00 0.60 1.23 -2.14 -0.55 0.00 0.00 175.29 174.43 2jj6 s PRO 86 N -0.61 2.79 0.07 1.67 0.02 -1.26 -2.45 135.00 135.22 2jj6 s PRO 86 Ca 0.10 1.87 -0.06 0.00 0.02 0.00 0.00 61.00 62.93 2jj6 s PRO 86 Cb -0.12 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 2jj6 s PRO 86 CO 0.02 -1.36 0.11 -0.59 -0.33 0.00 0.00 177.00 174.85 2jj6 s PHE 87 N -1.60 0.27 -0.08 6.54 -0.12 -0.44 -4.93 117.98 117.62 2jj6 s PHE 87 Ca 0.78 -0.72 -0.00 0.00 -0.05 0.00 0.00 56.93 56.94 2jj6 s PHE 87 Cb -0.32 -0.17 0.02 0.00 -0.63 0.00 0.00 43.02 41.93 2jj6 s PHE 87 CO 0.36 -0.47 -0.04 0.50 -0.05 0.00 0.00 175.22 175.52 2jj6 s ARG 88 N -3.74 0.99 -0.10 1.99 3.52 -1.26 -2.45 118.95 117.89 2jj6 s ARG 88 Ca 0.04 -0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.60 2jj6 s ARG 88 Cb 0.05 -1.15 -0.01 0.00 -1.56 0.00 0.00 34.95 32.28 2jj6 s ARG 88 CO -0.10 -0.23 -0.18 0.08 -0.81 0.00 0.00 175.30 174.06 2jj6 s VAL 89 N 1.60 2.58 -0.08 7.11 1.01 0.19 0.12 120.40 132.93 2jj6 s VAL 89 Ca 0.01 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2jj6 s VAL 89 Cb -0.13 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.23 2jj6 s VAL 89 CO -0.05 0.55 -0.14 -1.61 0.00 0.00 0.00 175.10 173.85 2jj6 s GLU 90 N 0.21 1.97 -0.29 2.72 2.02 0.01 -0.26 118.70 125.09 2jj6 s GLU 90 Ca -0.11 -0.49 -0.04 0.00 0.02 0.00 0.00 54.97 54.34 2jj6 s GLU 90 Cb -0.16 -1.64 0.03 0.00 0.10 0.00 0.00 34.13 32.46 2jj6 s GLU 90 CO 0.06 0.01 0.03 0.42 0.02 0.00 0.00 175.26 175.80 2jj6 s ILE 91 N 0.77 3.41 -0.22 -1.63 1.01 0.29 -0.97 121.20 123.85 2jj6 s ILE 91 Ca -0.12 -1.03 -0.10 0.00 0.00 0.00 0.00 60.65 59.40 2jj6 s ILE 91 Cb -0.16 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2jj6 s ILE 91 CO 0.02 0.02 0.14 -0.22 0.00 0.00 0.00 174.94 174.90 2jj6 s LEU 92 N 1.38 4.12 -0.24 2.97 2.96 -0.24 -0.83 118.68 128.80 2jj6 s LEU 92 Ca -0.01 0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 53.87 2jj6 s LEU 92 Cb -0.18 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 2jj6 s LEU 92 CO -0.00 0.12 0.56 0.00 -1.32 0.00 0.00 176.35 175.71 2jj6 s GLU 94 N 2.25 2.17 0.12 0.00 2.02 0.12 0.06 118.70 125.44 2jj6 s GLU 94 Ca 0.24 -1.91 -0.28 0.00 0.02 0.00 0.00 54.97 53.04 2jj6 s GLU 94 Cb -0.16 -1.91 -0.07 0.00 0.10 0.00 0.00 34.13 32.10 2jj6 s GLU 94 CO 0.09 -0.11 1.60 0.45 0.02 0.00 0.00 175.26 177.31 2jj6 h HIS 95 N 1.48 -1.02 -0.00 1.61 3.86 -1.96 -3.01 115.15 116.11 2jj6 h HIS 95 Ca -0.43 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 2jj6 h HIS 95 Cb 1.25 0.45 0.00 0.00 1.06 0.00 0.00 27.41 30.17 2jj6 h HIS 95 CO 0.67 -0.45 -0.54 -0.35 0.86 0.00 0.00 177.93 178.11 2jj6 n PRO 96 N -5.43 0.24 -3.80 2.45 -0.04 -1.26 -4.92 135.00 122.23 2jj6 n PRO 96 Ca -0.05 -0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.19 2jj6 n PRO 96 Cb 0.35 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.87 1.52 -0.07 0.54 1.70 -1.14 -1.71 118.95 116.93 2jj6 s ARG 97 Ca 0.14 -0.83 -0.09 0.00 -0.47 0.00 0.00 55.73 54.47 2jj6 s ARG 97 Cb 0.18 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 35.03 2jj6 s ARG 97 CO 0.69 -0.70 0.24 -0.06 -1.08 0.00 0.00 175.30 174.39 2jj6 s PHE 98 N -3.65 3.64 -0.17 5.89 0.08 0.46 0.10 117.98 124.34 2jj6 s PHE 98 Ca 0.11 0.68 -0.01 0.00 0.12 0.00 0.00 56.93 57.83 2jj6 s PHE 98 Cb -0.04 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 2jj6 s PHE 98 CO 0.04 0.70 -0.11 0.50 -0.10 0.00 0.00 175.22 176.25 2jj6 s ARG 99 N -1.13 3.33 -0.15 0.44 3.52 0.72 -0.59 118.95 125.09 2jj6 s ARG 99 Ca 0.19 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 55.06 2jj6 s ARG 99 Cb -0.14 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 2jj6 s ARG 99 CO 0.08 0.01 -0.02 0.08 -0.81 0.00 0.00 175.30 174.65 2jj6 s VAL 100 N 0.87 4.09 -0.06 7.11 1.01 -0.12 -1.08 120.40 132.22 2jj6 s VAL 100 Ca -0.03 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2jj6 s VAL 100 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2jj6 s VAL 100 CO 0.00 0.50 -0.14 -0.36 0.00 0.00 0.00 175.10 175.10 2jj6 s PHE 101 N 0.24 2.73 -0.09 5.22 0.40 -0.14 -1.19 117.98 125.14 2jj6 s PHE 101 Ca -0.01 -0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 2jj6 s PHE 101 Cb -0.14 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.76 2jj6 s PHE 101 CO 0.02 0.17 -0.13 0.08 0.70 0.00 0.00 175.22 176.06 2jj6 s VAL 102 N -0.65 1.32 -1.50 -0.44 1.01 -0.30 -0.81 120.40 119.03 2jj6 s VAL 102 Ca 0.10 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 2jj6 s VAL 102 Cb -0.11 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 35.12 2jj6 s VAL 102 CO 0.01 0.40 0.98 0.47 0.00 0.00 0.00 175.10 176.96 2jj6 n ASP 103 N 4.13 -4.64 0.00 3.32 8.00 0.12 -2.44 116.55 125.04 2jj6 n ASP 103 Ca -0.20 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2jj6 n ASP 103 Cb 0.51 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.63 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 -1.71 1.13 3.14 0.44 0.00 -1.26 -5.04 105.19 101.89 2jj6 n GLY 104 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.35 1.16 0.22 1.61 3.76 -1.02 -5.06 115.29 112.60 2jj6 s HIS 105 Ca 0.00 -0.39 -0.31 0.00 -0.15 0.00 0.00 55.06 54.21 2jj6 s HIS 105 Cb 0.00 -0.68 -0.10 0.00 1.11 0.00 0.00 32.58 32.91 2jj6 s HIS 105 CO 0.00 0.03 1.54 -1.14 -0.85 0.00 0.00 174.74 174.32 2jj6 s GLN 106 N -1.32 4.21 -0.05 1.40 -0.44 -1.26 -1.15 119.66 121.05 2jj6 s GLN 106 Ca -0.00 2.40 0.03 0.00 -2.50 0.00 0.00 55.36 55.28 2jj6 s GLN 106 Cb -0.08 -3.11 -0.05 0.00 -1.64 0.00 0.00 33.01 28.12 2jj6 s GLN 106 CO 0.01 -0.56 -0.01 -0.11 0.50 0.00 0.00 175.29 175.13 2jj6 n LEU 107 N 3.13 1.01 -3.60 3.68 7.94 -0.33 -4.91 117.00 123.91 2jj6 n LEU 107 Ca 0.11 -0.01 -0.04 0.00 -1.11 0.00 0.00 56.01 54.96 2jj6 n LEU 107 Cb 0.39 0.01 -0.02 0.00 0.53 0.00 0.00 43.42 44.33 2jj6 n LEU 107 CO 0.62 0.28 0.93 0.72 -1.11 0.00 0.00 177.39 178.82 2jj6 s PHE 108 N -2.11 -0.15 0.22 1.96 -0.12 -1.22 -4.64 117.98 111.91 2jj6 s PHE 108 Ca -0.04 0.04 0.09 0.00 -0.05 0.00 0.00 56.93 56.97 2jj6 s PHE 108 Cb 0.02 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 2jj6 s PHE 108 CO 0.17 -0.35 -0.02 -0.51 -0.05 0.00 0.00 175.22 174.46 2jj6 s ASP 109 N -2.52 4.57 -0.21 1.98 1.01 -1.26 -0.95 116.67 119.30 2jj6 s ASP 109 Ca 0.10 -0.54 -0.04 0.00 0.71 0.00 0.00 52.55 52.78 2jj6 s ASP 109 Cb 0.00 -0.88 0.07 0.00 1.01 0.00 0.00 42.92 43.12 2jj6 s ASP 109 CO -0.05 0.05 0.08 0.12 0.21 0.00 0.00 175.17 175.59 2jj6 s PHE 110 N -1.98 0.56 0.37 4.23 5.36 0.25 -4.97 117.98 121.79 2jj6 s PHE 110 Ca 0.29 -0.66 -0.26 0.00 -0.96 0.00 0.00 56.93 55.34 2jj6 s PHE 110 Cb -0.08 -0.89 -0.09 0.00 -0.34 0.00 0.00 43.02 41.62 2jj6 s PHE 110 CO 0.18 -0.62 1.15 0.71 -1.46 0.00 0.00 175.22 175.19 2jj6 s TYR 111 N 2.01 3.19 0.12 10.12 1.51 -1.26 -0.40 117.35 132.65 2jj6 s TYR 111 Ca 0.03 1.58 -0.33 0.00 -1.01 0.00 0.00 57.07 57.33 2jj6 s TYR 111 Cb -0.16 -3.37 -0.13 0.00 -0.11 0.00 0.00 41.96 38.19 2jj6 s TYR 111 CO -0.14 -1.13 1.67 0.72 -1.11 0.00 0.00 175.55 175.56 2jj6 n HIS 112 N 0.36 2.37 -0.07 2.71 8.25 -0.69 -4.88 115.22 123.26 2jj6 n HIS 112 Ca 0.03 0.16 -0.14 0.00 -0.26 0.00 0.00 57.72 57.51 2jj6 n HIS 112 Cb 0.46 -2.60 -0.06 0.00 1.12 0.00 0.00 29.99 28.91 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 4.23 0.33 -2.89 -0.41 1.74 -1.26 -4.85 116.66 113.56 2jj6 n ARG 113 Ca 0.18 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.96 2jj6 n ARG 113 Cb 0.30 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.57 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 -2.28 4.70 0.02 0.55 1.01 -1.26 -4.94 121.20 119.00 2jj6 s ILE 114 Ca -0.20 1.16 0.10 0.00 0.00 0.00 0.00 60.65 61.71 2jj6 s ILE 114 Cb 0.07 -4.23 -0.13 0.00 0.01 0.00 0.00 42.46 38.18 2jj6 s ILE 114 CO 0.29 -0.38 1.27 1.56 0.00 0.00 0.00 174.94 177.68 2jj6 h GLN 115 N 8.29 0.00 -5.64 2.79 1.08 -2.01 -3.41 115.11 116.21 2jj6 h GLN 115 Ca -0.24 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.32 2jj6 h GLN 115 Cb 1.09 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.39 2jj6 h GLN 115 CO 0.93 0.80 1.35 0.95 -0.95 0.00 0.00 178.83 181.91 2jj6 s THR 116 N -2.78 4.28 0.44 -0.54 -4.23 -1.26 -4.86 115.64 106.69 2jj6 s THR 116 Ca 0.01 -1.28 0.12 0.00 -1.18 0.00 0.00 61.69 59.36 2jj6 s THR 116 Cb 0.09 -4.97 0.30 0.00 1.34 0.00 0.00 72.50 69.25 2jj6 s THR 116 CO 0.80 -1.79 2.04 -0.07 -0.54 0.00 0.00 174.62 175.06 2jj6 h LEU 117 N 11.79 0.34 -1.65 4.79 3.38 -1.84 -1.97 115.31 130.15 2jj6 h LEU 117 Ca 0.22 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2jj6 h LEU 117 Cb 0.99 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2jj6 h LEU 117 CO 1.32 0.23 -0.12 0.77 0.09 0.00 0.00 178.44 180.73 2jj6 h SER 118 N 0.39 0.00 1.39 -0.43 4.64 -1.79 -1.54 113.55 116.20 2jj6 h SER 118 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2jj6 h SER 118 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2jj6 h SER 118 CO -0.04 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 2jj6 h ALA 119 N 1.88 1.00 -1.09 5.18 0.00 -1.67 -3.32 119.26 121.24 2jj6 h ALA 119 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2jj6 h ALA 119 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 2jj6 h ALA 119 CO 0.02 0.00 1.76 0.42 0.00 0.00 0.00 179.25 181.44 2jj6 s ILE 120 N -3.41 4.13 -0.14 0.00 1.01 -0.83 -4.00 121.20 117.96 2jj6 s ILE 120 Ca 0.05 -1.43 0.18 0.00 0.00 0.00 0.00 60.65 59.44 2jj6 s ILE 120 Cb 0.08 -5.09 0.32 0.00 0.01 0.00 0.00 42.46 37.78 2jj6 s ILE 120 CO 0.58 -1.93 1.18 -0.90 0.00 0.00 0.00 174.94 173.87 2jj6 n ASP 121 N 8.33 2.40 -3.83 3.58 3.85 -1.01 -1.96 116.55 127.91 2jj6 n ASP 121 Ca 0.40 -3.18 -0.12 0.00 -0.71 0.00 0.00 54.79 51.18 2jj6 n ASP 121 Cb 0.48 -0.45 -0.13 0.00 -1.35 0.00 0.00 41.12 39.67 2jj6 n ASP 121 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2jj6 s THR 122 N -2.92 -0.00 -0.15 2.12 2.01 -1.02 -0.21 115.64 115.47 2jj6 s THR 122 Ca 0.34 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 2jj6 s THR 122 Cb 0.30 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.62 2jj6 s THR 122 CO 0.02 0.01 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.35 2jj6 s ILE 123 N 0.15 3.19 -0.08 1.82 1.10 0.01 -0.42 121.20 126.97 2jj6 s ILE 123 Ca -0.01 -0.60 0.05 0.00 -0.51 0.00 0.00 60.65 59.58 2jj6 s ILE 123 Cb -0.02 -2.37 -0.01 0.00 0.15 0.00 0.00 42.46 40.21 2jj6 s ILE 123 CO -0.00 0.50 -0.23 -0.54 -2.11 0.00 0.00 174.94 172.56 2jj6 s LYS 124 N 0.63 2.77 -0.01 3.50 1.02 0.29 -0.27 119.74 127.66 2jj6 s LYS 124 Ca -0.06 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.09 2jj6 s LYS 124 Cb -0.15 -2.26 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2jj6 s LYS 124 CO 0.03 0.33 -0.06 0.42 -0.92 0.00 0.00 175.35 175.14 2jj6 s ILE 125 N -0.01 0.51 0.17 2.17 1.01 -0.66 -0.28 121.20 124.10 2jj6 s ILE 125 Ca -0.07 -0.25 -0.23 0.00 0.00 0.00 0.00 60.65 60.09 2jj6 s ILE 125 Cb -0.15 -0.44 0.06 0.00 0.01 0.00 0.00 42.46 41.94 2jj6 s ILE 125 CO 0.05 0.15 0.66 0.54 0.00 0.00 0.00 174.94 176.35 2jj6 s ASN 126 N 0.00 -0.47 0.00 3.58 4.22 -0.96 -0.57 114.94 120.74 2jj6 s ASN 126 Ca 0.00 -0.14 0.00 0.00 -2.14 0.00 0.00 52.86 50.59 2jj6 s ASN 126 Cb -0.04 0.60 0.00 0.00 1.28 0.00 0.00 41.25 43.09 2jj6 s ASN 126 CO -0.00 -1.01 0.00 0.61 -2.04 0.00 0.00 177.10 174.66 2jj6 n GLY 127 N -0.39 -0.27 2.58 0.45 0.00 -1.26 -0.89 105.19 105.41 2jj6 n GLY 127 Ca -0.13 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 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 6.31 -3.95 1.61 8.00 0.67 -4.86 116.55 124.32 2jj6 n ASP 128 Ca 0.00 -2.85 -0.09 0.00 0.71 0.00 0.00 54.79 52.56 2jj6 n ASP 128 Cb 0.00 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.12 39.50 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 0.45 0.24 -0.14 0.64 2.34 -1.26 -1.15 118.68 119.80 2jj6 s LEU 129 Ca 0.54 -0.83 0.02 0.00 0.06 0.00 0.00 54.13 53.92 2jj6 s LEU 129 Cb 0.15 1.92 0.01 0.00 -0.56 0.00 0.00 46.19 47.71 2jj6 s LEU 129 CO -0.06 -1.15 -0.21 -1.10 -1.06 0.00 0.00 176.35 172.77 2jj6 s GLN 130 N -3.99 3.06 -0.10 1.48 1.11 0.59 -4.87 119.66 116.94 2jj6 s GLN 130 Ca 0.19 -0.84 -0.24 0.00 0.01 0.00 0.00 55.36 54.48 2jj6 s GLN 130 Cb -0.01 -2.46 -0.03 0.00 -1.01 0.00 0.00 33.01 29.50 2jj6 s GLN 130 CO 0.07 0.01 0.73 0.42 0.01 0.00 0.00 175.29 176.53 2jj6 s ILE 131 N 0.77 5.00 -0.11 1.08 1.01 -1.26 0.26 121.20 127.96 2jj6 s ILE 131 Ca -0.08 1.48 0.11 0.00 0.00 0.00 0.00 60.65 62.16 2jj6 s ILE 131 Cb -0.16 -4.06 -0.15 0.00 0.01 0.00 0.00 42.46 38.10 2jj6 s ILE 131 CO -0.01 0.18 0.06 0.35 0.00 0.00 0.00 174.94 175.52 2jj6 n THR 132 N 4.12 0.76 -3.81 2.92 -2.24 0.22 -4.93 114.28 111.31 2jj6 n THR 132 Ca 0.00 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 2jj6 n THR 132 Cb 0.51 -0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 67.99 2jj6 n THR 132 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jj6 s LYS 133 N -2.32 0.34 0.00 -0.78 1.02 -0.79 -5.00 119.74 112.21 2jj6 s LYS 133 Ca -0.06 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.05 2jj6 s LYS 133 Cb 0.04 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 2jj6 s LYS 133 CO 0.49 -0.06 0.00 1.28 -0.92 0.00 0.00 175.35 176.14