#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bj9 s LEU 4 N 0.00 3.62 -0.01 6.55 1.43 -1.26 -0.23 118.68 128.78 3bj9 s LEU 4 Ca 0.00 -1.09 -0.20 0.00 -1.03 0.00 0.00 54.13 51.81 3bj9 s LEU 4 Cb 0.00 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 3bj9 s LEU 4 CO 0.00 -0.20 0.57 -2.28 0.23 0.00 0.00 176.35 174.67 3bj9 s HIS 5 N 1.29 3.68 -0.02 0.29 5.65 0.30 -4.09 115.29 122.40 3bj9 s HIS 5 Ca -0.03 1.17 0.03 0.00 0.25 0.00 0.00 55.06 56.48 3bj9 s HIS 5 Cb -0.18 -2.58 -0.00 0.00 -1.18 0.00 0.00 32.58 28.64 3bj9 s HIS 5 CO -0.02 0.38 -0.09 -0.65 -0.65 0.00 0.00 174.74 173.70 3bj9 s GLN 6 N -0.27 0.85 0.35 2.88 -0.21 -1.26 -1.44 119.66 120.55 3bj9 s GLN 6 Ca 0.30 -0.32 -0.29 0.00 0.02 0.00 0.00 55.36 55.08 3bj9 s GLN 6 Cb -0.18 -0.81 -0.11 0.00 1.00 0.00 0.00 33.01 32.91 3bj9 s GLN 6 CO 0.17 0.16 1.49 -1.25 -2.12 0.00 0.00 175.29 173.73 3bj9 s PRO 7 N -0.02 4.15 0.28 2.91 0.04 -1.26 -4.72 135.00 136.38 3bj9 s PRO 7 Ca 0.00 2.52 0.01 0.00 0.04 0.00 0.00 61.00 63.58 3bj9 s PRO 7 Cb -0.06 -3.00 0.55 0.00 0.04 0.00 0.00 34.50 32.03 3bj9 s PRO 7 CO -0.00 -0.51 1.84 -1.35 0.04 0.00 0.00 177.00 177.02 3bj9 h PRO 8 N 3.57 0.98 -2.61 0.56 0.11 -1.97 -3.34 132.00 129.31 3bj9 h PRO 8 Ca -0.50 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 3bj9 h PRO 8 Cb 1.23 -0.22 -0.24 0.00 0.11 0.00 0.00 31.00 31.88 3bj9 h PRO 8 CO 0.68 0.65 -0.18 0.00 -0.21 0.00 0.00 178.00 178.94 3bj9 s ALA 9 N -5.96 -1.15 0.04 -0.75 0.00 -1.26 -0.46 121.76 112.22 3bj9 s ALA 9 Ca -0.12 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.21 3bj9 s ALA 9 Cb 0.22 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3bj9 s ALA 9 CO 0.81 -0.23 -0.06 -1.64 0.00 0.00 0.00 175.76 174.64 3bj9 s MET 10 N 0.39 0.50 0.03 0.00 -1.94 -0.60 -4.93 119.30 112.74 3bj9 s MET 10 Ca -0.01 -0.77 0.06 0.00 -1.71 0.00 0.00 55.69 53.26 3bj9 s MET 10 Cb -0.04 -0.18 -0.02 0.00 2.01 0.00 0.00 34.83 36.60 3bj9 s MET 10 CO -0.01 0.02 -0.17 -1.12 -0.01 0.00 0.00 175.02 173.72 3bj9 s SER 11 N -1.66 2.07 0.12 3.03 0.01 -1.26 -0.88 113.70 115.12 3bj9 s SER 11 Ca -0.10 -0.45 -0.20 0.00 1.31 0.00 0.00 55.95 56.51 3bj9 s SER 11 Cb -0.09 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.02 3bj9 s SER 11 CO -0.00 0.12 0.50 -0.55 0.41 0.00 0.00 173.24 173.72 3bj9 s SER 12 N -1.00 -0.40 0.42 2.44 0.15 -0.69 -4.96 113.70 109.65 3bj9 s SER 12 Ca 0.05 -0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.51 3bj9 s SER 12 Cb -0.08 0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 64.69 3bj9 s SER 12 CO 0.01 -0.86 0.79 0.00 1.20 0.00 0.00 173.24 174.38 3bj9 s ALA 13 N -3.46 3.33 0.12 5.45 0.00 -1.26 -0.31 121.76 125.63 3bj9 s ALA 13 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 51.96 51.44 3bj9 s ALA 13 Cb 0.00 -2.73 -0.18 0.00 0.00 0.00 0.00 23.12 20.21 3bj9 s ALA 13 CO -0.10 -0.05 0.96 1.28 0.00 0.00 0.00 175.76 177.85 3bj9 n LEU 14 N -1.37 0.21 0.00 0.00 4.77 -0.44 -1.71 117.00 118.46 3bj9 n LEU 14 Ca 0.03 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 3bj9 n LEU 14 Cb 0.54 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3bj9 n LEU 14 CO 0.48 -1.98 0.00 0.61 -1.33 0.00 0.00 177.39 175.17 3bj9 n GLY 15 N 1.83 2.47 3.96 -0.72 0.00 0.47 -4.88 105.19 108.33 3bj9 n GLY 15 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3bj9 n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bj9 s THR 16 N -2.58 2.05 -0.13 2.61 -4.23 -0.69 -3.80 115.64 108.87 3bj9 s THR 16 Ca 0.00 -0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 3bj9 s THR 16 Cb 0.00 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 3bj9 s THR 16 CO 0.00 0.00 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.10 3bj9 s THR 17 N -3.56 3.45 0.12 3.99 2.01 -1.26 -1.09 115.64 119.30 3bj9 s THR 17 Ca 0.71 -0.53 0.09 0.00 0.31 0.00 0.00 61.69 62.27 3bj9 s THR 17 Cb -0.04 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 3bj9 s THR 17 CO 0.49 0.53 -0.22 -0.51 -0.69 0.00 0.00 174.62 174.22 3bj9 s ILE 18 N 0.13 1.81 -0.20 1.82 2.07 -0.51 -4.98 121.20 121.35 3bj9 s ILE 18 Ca -0.04 -1.63 0.01 0.00 -1.41 0.00 0.00 60.65 57.58 3bj9 s ILE 18 Cb -0.14 -1.66 0.05 0.00 0.13 0.00 0.00 42.46 40.83 3bj9 s ILE 18 CO 0.04 -0.07 -0.08 -0.60 -1.91 0.00 0.00 174.94 172.32 3bj9 s ARG 19 N -2.05 1.79 0.17 3.50 3.52 -1.26 -0.84 118.95 123.78 3bj9 s ARG 19 Ca 0.09 -0.83 -0.23 0.00 -0.13 0.00 0.00 55.73 54.62 3bj9 s ARG 19 Cb -0.09 -2.40 -0.08 0.00 -1.56 0.00 0.00 34.95 30.82 3bj9 s ARG 19 CO 0.05 -0.48 0.75 -0.51 -0.81 0.00 0.00 175.30 174.29 3bj9 s LEU 20 N 1.44 4.53 -0.08 -0.88 1.02 0.12 -4.91 118.68 119.92 3bj9 s LEU 20 Ca -0.02 1.56 0.02 0.00 0.02 0.00 0.00 54.13 55.71 3bj9 s LEU 20 Cb -0.17 -3.33 -0.02 0.00 0.02 0.00 0.00 46.19 42.69 3bj9 s LEU 20 CO -0.07 0.17 -0.13 -0.89 0.02 0.00 0.00 176.35 175.44 3bj9 s THR 21 N -1.24 3.11 -0.14 5.49 2.01 -1.26 -0.98 115.64 122.63 3bj9 s THR 21 Ca 0.37 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 3bj9 s THR 21 Cb -0.21 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.08 3bj9 s THR 21 CO 0.24 0.57 -0.05 0.00 -0.69 0.00 0.00 174.62 174.69 3bj9 s THR 23 N 1.70 1.87 -0.48 0.00 2.01 -0.52 -0.18 115.64 120.05 3bj9 s THR 23 Ca 0.03 -1.23 -0.28 0.00 0.31 0.00 0.00 61.69 60.51 3bj9 s THR 23 Cb -0.14 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.45 3bj9 s THR 23 CO -0.08 0.13 1.38 -0.22 -0.69 0.00 0.00 174.62 175.15 3bj9 s LEU 24 N 1.28 3.52 -0.41 4.42 0.20 0.18 -0.54 118.68 127.32 3bj9 s LEU 24 Ca -0.03 0.56 -0.12 0.00 0.69 0.00 0.00 54.13 55.23 3bj9 s LEU 24 Cb -0.17 -3.35 0.05 0.00 -0.43 0.00 0.00 46.19 42.29 3bj9 s LEU 24 CO -0.08 -1.52 0.28 -0.13 -0.29 0.00 0.00 176.35 174.61 3bj9 s ARG 25 N 5.11 2.81 0.00 1.98 0.52 0.67 -4.76 118.95 125.29 3bj9 s ARG 25 Ca 0.56 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3bj9 s ARG 25 Cb -0.12 -3.87 0.00 0.00 0.52 0.00 0.00 34.95 31.49 3bj9 s ARG 25 CO 0.30 -0.85 0.00 -1.71 0.02 0.00 0.00 175.30 173.05 3bj9 n ASN 26 N 5.04 0.00 -0.41 0.23 2.85 -1.26 -4.34 115.26 117.37 3bj9 n ASN 26 Ca -0.11 -0.63 0.05 0.00 -0.11 0.00 0.00 54.58 53.78 3bj9 n ASN 26 Cb 0.45 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.64 3bj9 n ASN 26 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3bj9 n ASP 27 N 0.00 1.19 -4.43 1.20 5.75 -1.26 -4.84 116.55 114.16 3bj9 n ASP 27 Ca 0.00 -1.91 -0.23 0.00 -0.01 0.00 0.00 54.79 52.64 3bj9 n ASP 27 Cb 0.29 -0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 3bj9 n ASP 27 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3bj9 s HIS 28 N -1.73 2.11 -0.28 2.11 3.76 -1.26 -5.13 115.29 114.88 3bj9 s HIS 28 Ca 0.19 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.63 3bj9 s HIS 28 Cb 0.10 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.84 3bj9 s HIS 28 CO 0.14 0.58 0.06 0.34 -0.85 0.00 0.00 174.74 175.01 3bj9 s ASP 29 N -3.34 5.00 0.43 1.40 2.15 -1.26 -4.94 116.67 116.11 3bj9 s ASP 29 Ca 0.26 -0.58 0.30 0.00 0.43 0.00 0.00 52.55 52.96 3bj9 s ASP 29 Cb -0.04 -1.86 1.40 0.00 -0.30 0.00 0.00 42.92 42.11 3bj9 s ASP 29 CO 0.12 -0.14 1.90 -0.29 -0.17 0.00 0.00 175.17 176.59 3bj9 h ILE 30 N 5.79 0.00 0.00 4.11 2.10 -1.90 -2.50 117.51 125.11 3bj9 h ILE 30 Ca -0.34 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.38 3bj9 h ILE 30 Cb 1.14 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 3bj9 h ILE 30 CO 0.60 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.28 3bj9 n GLY 31 N -0.47 -1.01 0.46 8.18 0.00 -1.26 -2.36 105.19 108.74 3bj9 n GLY 31 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.14 3bj9 n GLY 31 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bj9 n VAL 32 N -1.99 1.08 -5.02 1.61 0.24 -0.94 -5.01 118.33 108.30 3bj9 n VAL 32 Ca 0.01 -1.07 -0.29 0.00 -2.04 0.00 0.00 64.34 60.95 3bj9 n VAL 32 Cb 0.13 0.45 -0.15 0.00 -1.47 0.00 0.00 33.84 32.80 3bj9 n VAL 32 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3bj9 s TYR 33 N -1.13 2.13 0.30 6.34 1.51 -0.99 -5.11 117.35 120.40 3bj9 s TYR 33 Ca 0.18 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.55 3bj9 s TYR 33 Cb 0.10 -1.33 -0.09 0.00 -0.11 0.00 0.00 41.96 40.53 3bj9 s TYR 33 CO 0.11 0.03 1.08 -1.12 -1.11 0.00 0.00 175.55 174.54 3bj9 s SER 34 N -0.85 7.19 -0.26 2.29 0.01 -1.26 -4.68 113.70 116.13 3bj9 s SER 34 Ca 0.10 2.22 -0.09 0.00 1.31 0.00 0.00 55.95 59.49 3bj9 s SER 34 Cb -0.09 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 3bj9 s SER 34 CO 0.00 -0.20 0.12 -0.69 0.41 0.00 0.00 173.24 172.89 3bj9 s VAL 35 N -1.25 4.69 -0.04 3.43 1.01 0.16 -4.52 120.40 123.88 3bj9 s VAL 35 Ca 0.47 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 3bj9 s VAL 35 Cb -0.30 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3bj9 s VAL 35 CO 0.38 0.29 0.27 -0.31 0.00 0.00 0.00 175.10 175.74 3bj9 s TYR 36 N 1.67 3.64 -0.01 5.22 1.51 -0.21 -0.27 117.35 128.89 3bj9 s TYR 36 Ca 0.07 0.70 0.05 0.00 -1.01 0.00 0.00 57.07 56.88 3bj9 s TYR 36 Cb -0.16 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 3bj9 s TYR 36 CO 0.06 0.67 -0.18 -1.58 -1.11 0.00 0.00 175.55 173.41 3bj9 s TRP 37 N -1.13 1.57 0.00 2.71 0.52 -0.49 -0.43 118.94 121.69 3bj9 s TRP 37 Ca 0.22 -0.30 0.02 0.00 0.02 0.00 0.00 56.10 56.05 3bj9 s TRP 37 Cb -0.14 -1.00 -0.01 0.00 -1.15 0.00 0.00 33.47 31.17 3bj9 s TRP 37 CO 0.11 -0.02 -0.06 0.71 0.02 0.00 0.00 176.95 177.71 3bj9 s TYR 38 N -0.45 0.50 -0.06 -1.98 2.02 -0.07 -1.04 117.35 116.28 3bj9 s TYR 38 Ca 0.07 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.58 3bj9 s TYR 38 Cb -0.07 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.13 3bj9 s TYR 38 CO -0.00 -0.02 0.09 -1.14 -1.57 0.00 0.00 175.55 172.91 3bj9 s GLN 39 N -0.35 3.21 -0.03 -0.62 0.74 -0.39 -0.92 119.66 121.30 3bj9 s GLN 39 Ca 0.00 -0.34 -0.00 0.00 0.05 0.00 0.00 55.36 55.07 3bj9 s GLN 39 Cb -0.03 -2.97 0.03 0.00 1.10 0.00 0.00 33.01 31.13 3bj9 s GLN 39 CO -0.00 0.70 0.02 -1.14 -0.55 0.00 0.00 175.29 174.33 3bj9 s GLN 40 N -1.34 0.15 0.06 1.67 0.74 0.97 -0.16 119.66 121.73 3bj9 s GLN 40 Ca 0.19 0.18 0.03 0.00 0.05 0.00 0.00 55.36 55.81 3bj9 s GLN 40 Cb -0.12 -0.48 -0.04 0.00 1.10 0.00 0.00 33.01 33.48 3bj9 s GLN 40 CO 0.09 -0.21 0.06 1.03 -0.55 0.00 0.00 175.29 175.71 3bj9 s ARG 41 N 1.41 2.85 0.16 1.67 0.52 -1.26 -1.31 118.95 123.00 3bj9 s ARG 41 Ca -0.04 -0.67 -0.34 0.00 -0.52 0.00 0.00 55.73 54.16 3bj9 s ARG 41 Cb -0.13 -2.72 -0.14 0.00 0.52 0.00 0.00 34.95 32.48 3bj9 s ARG 41 CO -0.03 0.58 1.50 -2.30 0.02 0.00 0.00 175.30 175.08 3bj9 n PRO 42 N 0.70 1.94 -1.06 3.54 -0.02 -1.26 -1.25 135.00 137.59 3bj9 n PRO 42 Ca -0.10 0.70 -0.02 0.00 -2.02 0.00 0.00 63.50 62.05 3bj9 n PRO 42 Cb 0.52 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3bj9 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bj9 n GLY 43 N 3.05 0.53 3.23 -1.23 0.00 -1.26 -5.03 105.19 104.48 3bj9 n GLY 43 Ca 0.16 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 3bj9 n GLY 43 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bj9 s HIS 44 N -1.91 1.32 0.86 1.61 3.76 -0.38 -5.16 115.29 115.39 3bj9 s HIS 44 Ca 0.00 -0.61 -0.11 0.00 -0.15 0.00 0.00 55.06 54.18 3bj9 s HIS 44 Cb 0.00 -0.68 0.11 0.00 1.11 0.00 0.00 32.58 33.11 3bj9 s HIS 44 CO 0.00 0.11 1.09 -1.25 -0.85 0.00 0.00 174.74 173.84 3bj9 s PRO 45 N -2.93 1.57 0.67 8.40 0.04 -1.26 -4.48 135.00 137.00 3bj9 s PRO 45 Ca 0.10 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 61.81 3bj9 s PRO 45 Cb -0.03 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3bj9 s PRO 45 CO 0.02 -2.03 1.28 -2.14 0.04 0.00 0.00 177.00 174.16 3bj9 s PRO 46 N -4.97 2.43 -0.14 0.56 0.02 -1.26 -4.54 135.00 127.10 3bj9 s PRO 46 Ca 0.63 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.66 3bj9 s PRO 46 Cb -0.17 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3bj9 s PRO 46 CO 0.56 -1.68 -0.15 0.50 -0.33 0.00 0.00 177.00 175.91 3bj9 s ARG 47 N -3.50 2.32 0.11 5.54 3.52 0.77 -4.95 118.95 122.76 3bj9 s ARG 47 Ca 0.81 -0.58 -0.31 0.00 -0.13 0.00 0.00 55.73 55.52 3bj9 s ARG 47 Cb -0.36 -2.07 -0.10 0.00 -1.56 0.00 0.00 34.95 30.86 3bj9 s ARG 47 CO 0.41 -0.17 1.84 0.12 -0.81 0.00 0.00 175.30 176.69 3bj9 s PHE 48 N 1.30 2.02 -0.21 5.12 2.19 -1.26 -1.26 117.98 125.89 3bj9 s PHE 48 Ca 0.01 -0.08 -0.16 0.00 0.33 0.00 0.00 56.93 57.03 3bj9 s PHE 48 Cb -0.14 -4.18 -0.12 0.00 -1.31 0.00 0.00 43.02 37.28 3bj9 s PHE 48 CO -0.08 -4.94 -0.13 1.28 1.83 0.00 0.00 175.22 173.19 3bj9 n LEU 49 N 5.96 1.89 -3.57 6.12 4.77 -0.20 -4.58 117.00 127.39 3bj9 n LEU 49 Ca 0.18 0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 56.51 3bj9 n LEU 49 Cb 0.39 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 3bj9 n LEU 49 CO 0.66 0.13 0.86 -1.48 -1.33 0.00 0.00 177.39 176.23 3bj9 s LEU 50 N -7.84 -0.26 -0.14 2.23 0.05 -1.23 0.24 118.68 111.73 3bj9 s LEU 50 Ca -0.29 0.11 0.00 0.00 0.05 0.00 0.00 54.13 54.00 3bj9 s LEU 50 Cb 0.08 1.68 -0.01 0.00 -2.05 0.00 0.00 46.19 45.88 3bj9 s LEU 50 CO 0.46 -0.36 -0.14 -0.60 -0.55 0.00 0.00 176.35 175.16 3bj9 s ARG 51 N -2.14 3.30 -0.18 1.48 3.52 0.22 -1.40 118.95 123.75 3bj9 s ARG 51 Ca 0.05 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 3bj9 s ARG 51 Cb -0.01 -2.62 0.04 0.00 -1.56 0.00 0.00 34.95 30.80 3bj9 s ARG 51 CO -0.05 0.13 -0.11 -0.47 -0.81 0.00 0.00 175.30 173.99 3bj9 s TYR 52 N 0.54 2.30 -0.23 5.12 6.14 0.63 -0.51 117.35 131.34 3bj9 s TYR 52 Ca -0.09 -1.45 -0.11 0.00 0.64 0.00 0.00 57.07 56.06 3bj9 s TYR 52 Cb -0.16 -1.61 -0.10 0.00 0.42 0.00 0.00 41.96 40.51 3bj9 s TYR 52 CO 0.04 -0.71 -0.29 0.34 0.64 0.00 0.00 175.55 175.56 3bj9 n PHE 53 N 4.72 0.00 -3.89 4.97 7.35 -0.20 0.41 117.46 130.82 3bj9 n PHE 53 Ca -0.15 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.45 3bj9 n PHE 53 Cb 0.48 -0.82 -0.01 0.00 0.35 0.00 0.00 39.48 39.48 3bj9 n PHE 53 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3bj9 s SER 54 N -7.04 0.03 0.57 -2.13 1.04 -0.38 -4.93 113.70 100.87 3bj9 s SER 54 Ca -0.32 -1.00 0.26 0.00 0.48 0.00 0.00 55.95 55.38 3bj9 s SER 54 Cb 0.12 0.75 1.66 0.00 0.10 0.00 0.00 66.02 68.66 3bj9 s SER 54 CO 0.40 -1.46 2.20 1.56 0.98 0.00 0.00 173.24 176.92 3bj9 h GLN 55 N 2.05 0.00 -0.37 4.02 4.20 -1.99 -1.60 115.11 121.42 3bj9 h GLN 55 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3bj9 h GLN 55 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3bj9 h GLN 55 CO 0.34 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.37 3bj9 n SER 56 N -4.01 3.10 -3.37 1.46 3.41 -1.26 -4.79 113.62 108.17 3bj9 n SER 56 Ca -0.02 -2.09 -0.21 0.00 -0.26 0.00 0.00 58.87 56.29 3bj9 n SER 56 Cb 0.14 -0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 63.73 3bj9 n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bj9 s ASP 57 N -1.08 1.61 0.11 4.04 -1.08 -0.60 -5.12 116.67 114.55 3bj9 s ASP 57 Ca 0.27 -1.91 -0.18 0.00 -0.52 0.00 0.00 52.55 50.21 3bj9 s ASP 57 Cb 0.15 0.24 0.04 0.00 -1.46 0.00 0.00 42.92 41.90 3bj9 s ASP 57 CO 0.16 -0.26 0.45 -1.59 0.52 0.00 0.00 175.17 174.46 3bj9 s LYS 58 N 1.17 1.08 -0.03 4.34 -2.85 -1.25 -1.04 119.74 121.16 3bj9 s LYS 58 Ca 0.19 -0.56 -0.01 0.00 -1.00 0.00 0.00 55.97 54.59 3bj9 s LYS 58 Cb -0.15 0.48 0.03 0.00 -2.06 0.00 0.00 37.83 36.13 3bj9 s LYS 58 CO -0.03 -0.42 0.05 -1.12 0.10 0.00 0.00 175.35 173.92 3bj9 s SER 59 N -2.59 0.65 0.09 0.03 0.01 0.33 -4.97 113.70 107.25 3bj9 s SER 59 Ca 0.01 0.06 -0.23 0.00 1.31 0.00 0.00 55.95 57.09 3bj9 s SER 59 Cb 0.01 -0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.06 3bj9 s SER 59 CO -0.10 -0.19 0.70 -1.58 0.41 0.00 0.00 173.24 172.48 3bj9 s GLN 60 N 1.67 4.43 0.69 12.44 2.00 -1.26 -0.61 119.66 139.01 3bj9 s GLN 60 Ca -0.01 0.98 -0.15 0.00 -2.00 0.00 0.00 55.36 54.18 3bj9 s GLN 60 Cb -0.12 -3.29 0.02 0.00 0.80 0.00 0.00 33.01 30.41 3bj9 s GLN 60 CO -0.03 0.48 1.13 0.20 -0.50 0.00 0.00 175.29 176.57 3bj9 s GLY 61 N -0.71 2.16 0.13 2.59 0.00 0.14 -4.91 107.32 106.71 3bj9 s GLY 61 Ca 0.34 0.61 -0.34 0.00 0.00 0.00 0.00 44.72 45.34 3bj9 s GLY 61 CO 0.22 0.98 1.65 -1.05 0.00 0.00 0.00 173.10 174.90 3bj9 n PRO 62 N -2.59 2.23 -1.10 2.90 -0.02 -1.26 -2.21 135.00 132.95 3bj9 n PRO 62 Ca 0.11 0.81 -0.03 0.00 -2.02 0.00 0.00 63.50 62.36 3bj9 n PRO 62 Cb 0.52 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 3bj9 n PRO 62 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3bj9 n GLN 63 N 4.05 -1.31 -3.02 -0.52 6.02 -1.26 -4.96 117.38 116.37 3bj9 n GLN 63 Ca 0.18 0.50 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 3bj9 n GLN 63 Cb 0.30 -4.57 -0.06 0.00 1.02 0.00 0.00 30.24 26.93 3bj9 n GLN 63 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3bj9 s VAL 64 N -1.59 4.83 0.77 5.09 1.01 -0.94 -5.04 120.40 124.53 3bj9 s VAL 64 Ca 0.00 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 3bj9 s VAL 64 Cb 0.00 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.33 3bj9 s VAL 64 CO 0.00 -0.27 1.13 -2.16 0.00 0.00 0.00 175.10 173.80 3bj9 s PRO 65 N 2.86 2.06 0.10 2.72 0.04 -1.26 -4.77 135.00 136.74 3bj9 s PRO 65 Ca 0.29 1.44 0.18 0.00 0.04 0.00 0.00 61.00 62.95 3bj9 s PRO 65 Cb -0.14 -1.85 0.76 0.00 0.04 0.00 0.00 34.50 33.30 3bj9 s PRO 65 CO 0.14 -1.83 1.56 -0.35 0.04 0.00 0.00 177.00 176.55 3bj9 n PRO 66 N -3.25 0.08 0.17 0.56 -0.05 -1.26 -1.93 135.00 129.31 3bj9 n PRO 66 Ca 0.11 0.32 0.12 0.00 -0.05 0.00 0.00 63.50 64.00 3bj9 n PRO 66 Cb 0.52 -1.65 0.61 0.00 -0.05 0.00 0.00 33.50 32.93 3bj9 n PRO 66 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 175.50 175.52 3bj9 h ARG 67 N 0.00 0.00 -5.33 0.54 0.11 -1.90 -3.36 114.38 104.44 3bj9 h ARG 67 Ca 0.00 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.45 3bj9 h ARG 67 Cb 0.29 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.24 3bj9 h ARG 67 CO 0.00 0.00 -0.00 -0.06 0.10 0.00 0.00 179.97 180.01 3bj9 s PHE 68 N -3.56 3.22 -0.01 4.08 0.40 -0.81 -1.66 117.98 119.64 3bj9 s PHE 68 Ca -0.02 0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 56.71 3bj9 s PHE 68 Cb 0.07 -2.86 -0.00 0.00 0.51 0.00 0.00 43.02 40.73 3bj9 s PHE 68 CO 0.22 -0.43 0.05 -1.54 0.70 0.00 0.00 175.22 174.23 3bj9 s SER 69 N 1.66 0.04 0.25 1.36 1.04 -0.27 -4.95 113.70 112.85 3bj9 s SER 69 Ca 0.21 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.53 3bj9 s SER 69 Cb -0.15 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 3bj9 s SER 69 CO 0.12 -0.17 0.43 -0.83 0.98 0.00 0.00 173.24 173.76 3bj9 s GLY 70 N -0.69 1.52 0.35 7.32 0.00 -1.26 -0.05 107.32 114.51 3bj9 s GLY 70 Ca -0.08 -0.95 -0.14 0.00 0.00 0.00 0.00 44.72 43.55 3bj9 s GLY 70 CO 0.00 -0.91 0.71 -1.35 0.00 0.00 0.00 173.10 171.54 3bj9 s SER 71 N -3.62 0.10 0.04 1.64 1.04 -1.02 -4.94 113.70 106.94 3bj9 s SER 71 Ca 0.38 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 55.71 3bj9 s SER 71 Cb -0.10 0.78 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 3bj9 s SER 71 CO 0.31 -1.53 -0.02 -0.54 0.98 0.00 0.00 173.24 172.44 3bj9 s LYS 72 N -2.83 0.51 -0.38 4.02 1.02 -1.26 -0.63 119.74 120.19 3bj9 s LYS 72 Ca 0.18 -0.99 0.04 0.00 0.02 0.00 0.00 55.97 55.21 3bj9 s LYS 72 Cb -0.04 0.18 0.11 0.00 -0.52 0.00 0.00 37.83 37.55 3bj9 s LYS 72 CO 0.12 -0.09 0.11 0.34 -0.92 0.00 0.00 175.35 174.90 3bj9 s ASP 73 N -2.40 4.58 0.17 2.83 3.68 0.23 -4.96 116.67 120.81 3bj9 s ASP 73 Ca -0.01 -2.33 -0.11 0.00 2.13 0.00 0.00 52.55 52.23 3bj9 s ASP 73 Cb 0.02 -1.56 0.06 0.00 -1.45 0.00 0.00 42.92 39.98 3bj9 s ASP 73 CO -0.07 -0.35 1.67 0.58 0.13 0.00 0.00 175.17 177.14 3bj9 h VAL 74 N 6.31 1.25 -0.19 1.11 2.07 -1.96 -1.36 116.25 123.49 3bj9 h VAL 74 Ca -0.05 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3bj9 h VAL 74 Cb 0.99 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3bj9 h VAL 74 CO 0.55 0.34 0.13 0.00 0.02 0.00 0.00 177.57 178.62 3bj9 h ALA 75 N 1.02 2.17 -0.38 1.67 0.00 -1.95 -0.33 119.26 121.47 3bj9 h ALA 75 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3bj9 h ALA 75 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3bj9 h ALA 75 CO 0.01 -0.23 0.00 0.54 0.00 0.00 0.00 179.25 179.56 3bj9 n ARG 76 N -4.48 2.46 -3.82 0.00 1.74 -0.83 -4.96 116.66 106.78 3bj9 n ARG 76 Ca 0.01 -2.21 -0.28 0.00 -0.77 0.00 0.00 57.85 54.61 3bj9 n ARG 76 Cb 0.27 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.25 3bj9 n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3bj9 n ASN 77 N 1.42 -5.00 -4.36 0.55 4.13 -0.13 -4.85 115.26 107.02 3bj9 n ASN 77 Ca 0.19 -0.72 -0.31 0.00 1.68 0.00 0.00 54.58 55.42 3bj9 n ASN 77 Cb 0.59 -4.21 -0.15 0.00 -1.54 0.00 0.00 39.78 34.47 3bj9 n ASN 77 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3bj9 s ARG 78 N -6.50 2.13 -0.01 3.52 0.52 -0.58 -0.65 118.95 117.39 3bj9 s ARG 78 Ca 0.60 -0.92 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3bj9 s ARG 78 Cb -0.29 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 3bj9 s ARG 78 CO 0.80 0.56 -0.11 0.20 0.02 0.00 0.00 175.30 176.78 3bj9 s GLY 79 N -0.80 1.66 0.07 -3.53 0.00 0.75 -0.60 107.32 104.88 3bj9 s GLY 79 Ca 0.11 -1.04 0.09 0.00 0.00 0.00 0.00 44.72 43.88 3bj9 s GLY 79 CO 0.00 -0.88 -0.24 -0.19 0.00 0.00 0.00 173.10 171.79 3bj9 s TYR 80 N -0.91 2.13 -0.19 1.90 1.51 0.20 0.27 117.35 122.26 3bj9 s TYR 80 Ca 0.15 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 3bj9 s TYR 80 Cb -0.11 -1.24 0.02 0.00 -0.11 0.00 0.00 41.96 40.53 3bj9 s TYR 80 CO 0.05 0.17 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.31 3bj9 s LEU 81 N -1.46 2.30 -0.12 -1.29 2.96 -0.15 -2.42 118.68 118.50 3bj9 s LEU 81 Ca 0.11 -0.69 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 3bj9 s LEU 81 Cb -0.10 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3bj9 s LEU 81 CO 0.03 -0.02 0.11 -0.44 -1.32 0.00 0.00 176.35 174.71 3bj9 s SER 82 N 1.29 6.10 -0.22 3.68 0.01 0.93 0.15 113.70 125.64 3bj9 s SER 82 Ca 0.04 0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.67 3bj9 s SER 82 Cb -0.14 -1.93 0.06 0.00 0.21 0.00 0.00 66.02 64.22 3bj9 s SER 82 CO -0.12 0.39 -0.01 -0.63 0.41 0.00 0.00 173.24 173.28 3bj9 s ILE 83 N -0.90 1.12 0.30 1.44 1.01 -0.02 -1.11 121.20 123.04 3bj9 s ILE 83 Ca 0.14 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 3bj9 s ILE 83 Cb -0.12 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3bj9 s ILE 83 CO 0.03 -0.18 0.50 -0.94 0.00 0.00 0.00 174.94 174.36 3bj9 s SER 84 N 1.58 6.34 -1.29 3.58 1.04 -0.66 -1.42 113.70 122.85 3bj9 s SER 84 Ca -0.03 0.45 -0.03 0.00 0.48 0.00 0.00 55.95 56.82 3bj9 s SER 84 Cb -0.18 -2.03 0.01 0.00 0.10 0.00 0.00 66.02 63.92 3bj9 s SER 84 CO -0.08 -0.21 0.91 -0.62 0.98 0.00 0.00 173.24 174.22 3bj9 n GLU 85 N -1.41 -6.07 -1.60 4.02 1.02 -0.59 -4.82 120.64 111.20 3bj9 n GLU 85 Ca -0.05 0.74 -0.47 0.00 -0.02 0.00 0.00 57.16 57.36 3bj9 n GLU 85 Cb 0.55 -5.58 -0.03 0.00 -0.02 0.00 0.00 31.44 26.36 3bj9 n GLU 85 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bj9 n LEU 86 N -4.36 1.90 -4.44 -4.62 4.77 -0.25 -4.55 117.00 105.45 3bj9 n LEU 86 Ca -0.22 1.15 -0.26 0.00 -0.03 0.00 0.00 56.01 56.65 3bj9 n LEU 86 Cb 0.64 -1.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.35 3bj9 n LEU 86 CO 0.66 -1.14 -0.51 -1.10 -1.33 0.00 0.00 177.39 173.97 3bj9 s GLN 87 N -0.53 1.58 0.41 3.23 -0.21 -1.26 -0.39 119.66 122.49 3bj9 s GLN 87 Ca 0.70 -1.60 0.13 0.00 0.02 0.00 0.00 55.36 54.61 3bj9 s GLN 87 Cb -0.79 -1.83 0.98 0.00 1.00 0.00 0.00 33.01 32.38 3bj9 s GLN 87 CO 0.53 0.38 1.93 -1.35 -2.12 0.00 0.00 175.29 174.66 3bj9 h PRO 88 N 2.88 0.47 0.00 2.91 0.11 -1.94 -0.25 132.00 136.19 3bj9 h PRO 88 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bj9 h PRO 88 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3bj9 h PRO 88 CO 0.52 0.31 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 3bj9 n GLU 89 N -4.49 0.03 0.00 1.05 -0.58 -1.26 -2.45 120.64 112.95 3bj9 n GLU 89 Ca 0.13 0.25 0.11 0.00 -0.42 0.00 0.00 57.16 57.22 3bj9 n GLU 89 Cb 0.44 -1.56 0.47 0.00 -0.57 0.00 0.00 31.44 30.22 3bj9 n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3bj9 n ASP 90 N -1.62 0.00 -4.64 1.62 8.00 -0.10 -4.69 116.55 115.11 3bj9 n ASP 90 Ca 0.04 0.48 -0.43 0.00 0.71 0.00 0.00 54.79 55.60 3bj9 n ASP 90 Cb 0.20 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3bj9 n ASP 90 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3bj9 s GLU 91 N -2.99 3.96 0.00 -1.24 2.12 -1.03 -4.85 118.70 114.68 3bj9 s GLU 91 Ca 0.11 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.47 3bj9 s GLU 91 Cb 0.14 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.48 3bj9 s GLU 91 CO 0.40 -1.11 0.00 0.00 -0.54 0.00 0.00 175.26 174.01 3bj9 n ALA 92 N 7.99 0.00 -2.45 6.30 0.00 -1.09 -4.96 120.51 126.30 3bj9 n ALA 92 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 3bj9 n ALA 92 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 3bj9 n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3bj9 s MET 93 N -2.00 4.23 -0.15 0.00 1.75 -0.42 -1.03 119.30 121.67 3bj9 s MET 93 Ca 0.00 0.66 0.02 0.00 -1.25 0.00 0.00 55.69 55.11 3bj9 s MET 93 Cb 0.00 -3.30 0.01 0.00 2.84 0.00 0.00 34.83 34.38 3bj9 s MET 93 CO 0.00 0.48 -0.21 0.71 -0.65 0.00 0.00 175.02 175.35 3bj9 s TYR 94 N -0.51 2.71 -0.10 4.11 1.51 -0.15 -0.02 117.35 124.90 3bj9 s TYR 94 Ca 0.29 -1.39 0.00 0.00 -1.01 0.00 0.00 57.07 54.96 3bj9 s TYR 94 Cb -0.18 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 3bj9 s TYR 94 CO 0.16 -0.65 -0.09 0.71 -1.11 0.00 0.00 175.55 174.57 3bj9 s TYR 95 N 0.95 2.88 0.32 2.71 1.51 -0.10 -0.57 117.35 125.05 3bj9 s TYR 95 Ca -0.04 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 3bj9 s TYR 95 Cb -0.15 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 3bj9 s TYR 95 CO -0.05 0.10 0.49 0.00 -1.11 0.00 0.00 175.55 174.99 3bj9 s ALA 97 N -2.22 -0.99 0.05 0.00 0.00 0.43 -0.89 121.76 118.14 3bj9 s ALA 97 Ca 0.40 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.88 3bj9 s ALA 97 Cb -0.09 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3bj9 s ALA 97 CO 0.33 -0.30 -0.06 -1.64 0.00 0.00 0.00 175.76 174.10 3bj9 s MET 98 N -1.41 0.52 0.00 0.00 -1.94 -0.47 -1.05 119.30 114.96 3bj9 s MET 98 Ca -0.12 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 3bj9 s MET 98 Cb -0.04 -0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.70 3bj9 s MET 98 CO 0.05 -0.01 0.00 0.41 -0.01 0.00 0.00 175.02 175.46 3bj9 n GLY 99 N 1.11 2.23 2.86 -0.03 0.00 -1.26 -0.76 105.19 109.33 3bj9 n GLY 99 Ca -0.20 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 3bj9 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bj9 s ALA 100 N -2.22 0.45 -0.11 4.61 0.00 -0.85 -4.41 121.76 119.23 3bj9 s ALA 100 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 3bj9 s ALA 100 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 3bj9 s ALA 100 CO 0.00 -0.03 -0.04 -0.98 0.00 0.00 0.00 175.76 174.71 3bj9 s ARG 101 N 0.90 3.24 0.00 0.00 3.03 -1.26 -3.88 118.95 120.98 3bj9 s ARG 101 Ca -0.10 -0.51 0.00 0.00 2.03 0.00 0.00 55.73 57.15 3bj9 s ARG 101 Cb -0.13 -2.78 0.00 0.00 -1.03 0.00 0.00 34.95 31.00 3bj9 s ARG 101 CO -0.01 0.46 0.00 0.45 -1.13 0.00 0.00 175.30 175.08 3bj9 n SER 102 N 2.85 0.00 -3.58 -2.89 2.88 -1.26 -5.06 113.62 106.57 3bj9 n SER 102 Ca -0.18 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.30 3bj9 n SER 102 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 3bj9 n SER 102 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3bj9 s THR 103 N 0.00 0.00 -0.29 2.46 -1.32 -1.25 -5.12 115.64 110.12 3bj9 s THR 103 Ca 0.00 -0.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.32 3bj9 s THR 103 Cb 0.00 -1.29 0.17 0.00 -1.51 0.00 0.00 72.50 69.86 3bj9 s THR 103 CO 0.00 0.00 0.45 -2.28 -2.21 0.00 0.00 174.62 170.58 3bj9 s HIS 104 N -3.13 -1.17 -0.15 9.09 2.46 -1.26 -2.00 115.29 119.13 3bj9 s HIS 104 Ca 0.07 0.52 -0.18 0.00 0.47 0.00 0.00 55.06 55.94 3bj9 s HIS 104 Cb -0.01 -0.05 -0.04 0.00 -0.13 0.00 0.00 32.58 32.36 3bj9 s HIS 104 CO -0.06 -0.99 0.48 0.54 -2.47 0.00 0.00 174.74 172.24 3bj9 s VAL 105 N 2.60 5.17 -0.03 0.89 0.11 0.06 -4.90 120.40 124.30 3bj9 s VAL 105 Ca 0.10 0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 59.99 3bj9 s VAL 105 Cb -0.12 -3.82 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 3bj9 s VAL 105 CO -0.29 0.28 0.27 -0.36 -3.33 0.00 0.00 175.10 171.67 3bj9 s PHE 106 N 0.95 3.63 1.09 1.54 0.40 -1.26 -1.36 117.98 122.96 3bj9 s PHE 106 Ca 0.25 0.69 -0.13 0.00 -0.60 0.00 0.00 56.93 57.13 3bj9 s PHE 106 Cb -0.15 -2.06 0.24 0.00 0.51 0.00 0.00 43.02 41.55 3bj9 s PHE 106 CO 0.10 0.66 1.07 0.20 0.70 0.00 0.00 175.22 177.95 3bj9 s GLY 107 N -1.30 1.55 0.04 4.36 0.00 -0.07 -4.82 107.32 107.08 3bj9 s GLY 107 Ca 0.22 -0.38 0.24 0.00 0.00 0.00 0.00 44.72 44.80 3bj9 s GLY 107 CO 0.11 0.31 1.75 -1.14 0.00 0.00 0.00 173.10 174.13 3bj9 n SER 108 N -4.54 0.12 0.00 1.64 3.41 -1.26 -4.73 113.62 108.27 3bj9 n SER 108 Ca 0.05 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3bj9 n SER 108 Cb 0.57 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3bj9 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bj9 n GLY 109 N 0.88 0.20 3.41 5.00 0.00 -1.26 -5.01 105.19 108.41 3bj9 n GLY 109 Ca 0.05 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 3bj9 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bj9 s THR 110 N -1.47 3.96 -0.30 2.61 2.01 0.26 -4.38 115.64 118.33 3bj9 s THR 110 Ca 0.00 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 3bj9 s THR 110 Cb 0.00 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.69 3bj9 s THR 110 CO 0.00 0.38 1.17 -1.58 -0.69 0.00 0.00 174.62 173.91 3bj9 s GLN 111 N 1.43 4.03 -0.22 4.92 2.00 0.39 -0.98 119.66 131.22 3bj9 s GLN 111 Ca 0.05 1.19 -0.12 0.00 -2.00 0.00 0.00 55.36 54.48 3bj9 s GLN 111 Cb -0.15 -3.79 -0.05 0.00 0.80 0.00 0.00 33.01 29.83 3bj9 s GLN 111 CO 0.01 -0.96 0.21 -1.17 -0.50 0.00 0.00 175.29 172.88 3bj9 s LEU 112 N 3.89 4.15 -0.17 3.68 2.96 -0.19 -1.56 118.68 131.44 3bj9 s LEU 112 Ca 0.50 0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.59 3bj9 s LEU 112 Cb -0.15 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 3bj9 s LEU 112 CO 0.18 0.06 0.02 -0.89 -1.32 0.00 0.00 176.35 174.40 3bj9 s THR 113 N 0.93 4.38 -0.33 3.68 2.01 -0.06 -2.68 115.64 123.57 3bj9 s THR 113 Ca 0.11 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 3bj9 s THR 113 Cb -0.13 -2.95 -0.00 0.00 0.01 0.00 0.00 72.50 69.42 3bj9 s THR 113 CO 0.04 0.48 0.19 -0.69 -0.69 0.00 0.00 174.62 173.94 3bj9 s VAL 114 N 0.36 4.78 0.17 3.82 1.01 -1.26 -1.70 120.40 127.59 3bj9 s VAL 114 Ca -0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 3bj9 s VAL 114 Cb -0.13 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 3bj9 s VAL 114 CO 0.01 -0.02 0.68 -0.76 0.00 0.00 0.00 175.10 175.02 3bj9 s LEU 115 N 1.63 4.43 0.41 3.92 1.43 0.58 -4.86 118.68 126.22 3bj9 s LEU 115 Ca 0.04 1.39 0.09 0.00 -1.03 0.00 0.00 54.13 54.63 3bj9 s LEU 115 Cb -0.18 -3.35 0.87 0.00 0.03 0.00 0.00 46.19 43.56 3bj9 s LEU 115 CO 0.07 0.13 2.00 0.28 0.23 0.00 0.00 176.35 179.06 3bj9 h SER 116 N 3.84 0.31 -3.55 2.29 0.02 -1.97 -1.17 113.55 113.32 3bj9 h SER 116 Ca -0.48 -0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 60.22 3bj9 h SER 116 Cb 1.20 -0.08 -0.30 0.00 0.14 0.00 0.00 62.40 63.36 3bj9 h SER 116 CO 0.65 0.33 -0.57 0.00 -1.14 0.00 0.00 176.83 176.10 3bj9 s ALA 117 N -5.08 -0.32 -2.00 3.77 0.00 -1.26 -4.64 121.76 112.23 3bj9 s ALA 117 Ca -0.07 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.52 3bj9 s ALA 117 Cb 0.16 -0.39 0.11 0.00 0.00 0.00 0.00 23.12 23.01 3bj9 s ALA 117 CO 0.73 -0.13 0.60 0.00 0.00 0.00 0.00 175.76 176.96