#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj1 s ILE 2 N 0.00 2.76 -0.21 0.53 1.01 -1.26 -5.01 121.20 119.02 1bj1 s ILE 2 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 60.65 61.36 1bj1 s ILE 2 Cb 0.00 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 1bj1 s ILE 2 CO 0.00 0.17 -0.03 -1.58 0.00 0.00 0.00 174.94 173.50 1bj1 s GLN 3 N -1.61 3.47 -0.21 2.79 0.74 -1.26 -4.79 119.66 118.79 1bj1 s GLN 3 Ca 0.50 -0.59 -0.15 0.00 0.05 0.00 0.00 55.36 55.17 1bj1 s GLN 3 Cb -0.40 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 1bj1 s GLN 3 CO 0.51 -0.09 0.36 -1.64 -0.55 0.00 0.00 175.29 173.88 1bj1 s MET 4 N 1.23 4.15 -0.24 1.67 -1.94 -1.26 -1.14 119.30 121.77 1bj1 s MET 4 Ca 0.03 0.13 -0.02 0.00 -1.71 0.00 0.00 55.69 54.12 1bj1 s MET 4 Cb -0.14 -3.54 0.02 0.00 2.01 0.00 0.00 34.83 33.17 1bj1 s MET 4 CO -0.01 -0.04 -0.06 0.99 -0.01 0.00 0.00 175.02 175.90 1bj1 s THR 5 N 1.32 2.97 -0.01 2.05 2.01 0.14 -4.38 115.64 119.75 1bj1 s THR 5 Ca 0.17 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1bj1 s THR 5 Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 1bj1 s THR 5 CO 0.08 0.24 0.16 -1.58 -0.69 0.00 0.00 174.62 172.83 1bj1 s GLN 6 N 1.36 3.37 -0.12 4.92 0.74 -1.26 -0.56 119.66 128.11 1bj1 s GLN 6 Ca 0.01 -0.35 -0.22 0.00 0.05 0.00 0.00 55.36 54.85 1bj1 s GLN 6 Cb -0.16 -3.05 0.05 0.00 1.10 0.00 0.00 33.01 30.95 1bj1 s GLN 6 CO -0.04 0.67 0.55 -1.54 -0.55 0.00 0.00 175.29 174.38 1bj1 s SER 7 N -1.88 -0.53 0.75 6.67 1.04 -0.45 -4.64 113.70 114.67 1bj1 s SER 7 Ca 0.26 0.77 -0.09 0.00 0.48 0.00 0.00 55.95 57.37 1bj1 s SER 7 Cb -0.12 0.77 0.06 0.00 0.10 0.00 0.00 66.02 66.83 1bj1 s SER 7 CO 0.17 -0.39 1.09 -2.16 0.98 0.00 0.00 173.24 172.94 1bj1 s PRO 8 N -0.54 2.17 0.27 4.02 0.04 -1.26 -0.36 135.00 139.34 1bj1 s PRO 8 Ca -0.07 -0.03 0.03 0.00 0.04 0.00 0.00 61.00 60.98 1bj1 s PRO 8 Cb -0.03 -2.06 0.38 0.00 0.04 0.00 0.00 34.50 32.83 1bj1 s PRO 8 CO 0.05 -1.36 1.69 0.77 0.04 0.00 0.00 177.00 178.18 1bj1 h SER 9 N -0.79 0.44 -5.01 6.66 0.02 -1.82 -3.40 113.55 109.64 1bj1 h SER 9 Ca -0.45 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.26 1bj1 h SER 9 Cb 1.32 -0.12 -0.18 0.00 0.14 0.00 0.00 62.40 63.56 1bj1 h SER 9 CO 0.63 0.75 -0.01 -0.94 -1.14 0.00 0.00 176.83 176.12 1bj1 s SER 10 N -6.84 -0.42 0.02 3.07 1.04 -1.26 -1.71 113.70 107.60 1bj1 s SER 10 Ca -0.06 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.50 1bj1 s SER 10 Cb 0.13 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1bj1 s SER 10 CO 0.79 -0.64 0.25 -1.48 0.98 0.00 0.00 173.24 173.15 1bj1 s LEU 11 N -1.68 1.11 -0.06 2.42 0.05 -0.17 -4.91 118.68 115.44 1bj1 s LEU 11 Ca -0.08 -0.18 0.04 0.00 0.05 0.00 0.00 54.13 53.96 1bj1 s LEU 11 Cb -0.01 1.12 0.00 0.00 -2.05 0.00 0.00 46.19 45.25 1bj1 s LEU 11 CO 0.02 -0.53 -0.19 -0.55 -0.55 0.00 0.00 176.35 174.56 1bj1 s SER 12 N -1.81 2.43 0.18 1.48 0.15 -1.26 -0.12 113.70 114.75 1bj1 s SER 12 Ca -0.08 -0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.00 1bj1 s SER 12 Cb -0.03 -0.89 0.02 0.00 -1.71 0.00 0.00 66.02 63.41 1bj1 s SER 12 CO -0.01 0.14 0.44 0.00 1.20 0.00 0.00 173.24 175.01 1bj1 s ALA 13 N 0.23 -0.68 0.30 5.45 0.00 -0.43 -4.89 121.76 121.75 1bj1 s ALA 13 Ca -0.10 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1bj1 s ALA 13 Cb -0.14 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1bj1 s ALA 13 CO 0.04 -0.74 0.47 -1.12 0.00 0.00 0.00 175.76 174.42 1bj1 s SER 14 N -2.89 6.28 0.15 0.00 0.01 -1.26 0.16 113.70 116.16 1bj1 s SER 14 Ca 0.10 0.27 -0.31 0.00 1.31 0.00 0.00 55.95 57.32 1bj1 s SER 14 Cb 0.01 -1.92 -0.11 0.00 0.21 0.00 0.00 66.02 64.21 1bj1 s SER 14 CO -0.03 -0.21 1.75 -0.69 0.41 0.00 0.00 173.24 174.46 1bj1 s VAL 15 N -2.18 2.43 0.00 3.43 1.01 -1.26 -1.07 120.40 122.77 1bj1 s VAL 15 Ca 0.38 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1bj1 s VAL 15 Cb -0.09 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1bj1 s VAL 15 CO 0.33 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1bj1 n GLY 16 N 4.08 1.20 3.76 4.51 0.00 0.23 -4.90 105.19 114.07 1bj1 n GLY 16 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1bj1 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bj1 s ASP 17 N -1.75 4.97 -0.31 1.61 1.11 -0.23 -4.36 116.67 117.71 1bj1 s ASP 17 Ca 0.00 2.10 -0.10 0.00 0.18 0.00 0.00 52.55 54.73 1bj1 s ASP 17 Cb 0.00 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.41 1bj1 s ASP 17 CO 0.00 -1.73 0.17 -0.60 1.18 0.00 0.00 175.17 174.19 1bj1 s ARG 18 N -3.97 3.45 -0.03 8.23 3.52 -1.25 0.01 118.95 128.91 1bj1 s ARG 18 Ca 0.69 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.69 1bj1 s ARG 18 Cb -0.23 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 1bj1 s ARG 18 CO 0.41 -0.38 -0.15 0.08 -0.81 0.00 0.00 175.30 174.44 1bj1 s VAL 19 N 1.65 2.97 -0.02 7.11 1.01 -0.58 -4.99 120.40 127.55 1bj1 s VAL 19 Ca 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1bj1 s VAL 19 Cb -0.17 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 1bj1 s VAL 19 CO 0.07 0.54 -0.11 0.42 0.00 0.00 0.00 175.10 176.02 1bj1 s THR 20 N -0.77 0.93 -0.09 3.92 -4.23 -1.26 -1.51 115.64 112.64 1bj1 s THR 20 Ca 0.12 -0.46 0.04 0.00 -1.18 0.00 0.00 61.69 60.21 1bj1 s THR 20 Cb -0.11 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 72.92 1bj1 s THR 20 CO 0.01 0.28 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.53 1bj1 s ILE 21 N 0.01 2.34 0.09 2.99 1.01 0.20 -4.79 121.20 123.05 1bj1 s ILE 21 Ca -0.01 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1bj1 s ILE 21 Cb -0.08 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1bj1 s ILE 21 CO 0.00 0.56 0.08 -0.89 0.00 0.00 0.00 174.94 174.69 1bj1 s THR 22 N 0.07 4.48 -0.06 2.92 2.01 0.52 -0.74 115.64 124.83 1bj1 s THR 22 Ca -0.09 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 1bj1 s THR 22 Cb -0.15 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1bj1 s THR 22 CO 0.06 0.09 0.14 0.00 -0.69 0.00 0.00 174.62 174.22 1bj1 s SER 24 N 0.41 1.86 0.06 0.00 0.15 0.28 -0.84 113.70 115.62 1bj1 s SER 24 Ca -0.03 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.18 1bj1 s SER 24 Cb -0.04 -0.78 -0.06 0.00 -1.71 0.00 0.00 66.02 63.43 1bj1 s SER 24 CO -0.02 -0.05 0.50 0.00 1.20 0.00 0.00 173.24 174.87 1bj1 s ALA 25 N 1.22 3.63 -0.94 5.45 0.00 0.69 -0.68 121.76 131.13 1bj1 s ALA 25 Ca -0.05 -0.09 0.13 0.00 0.00 0.00 0.00 51.96 51.95 1bj1 s ALA 25 Cb -0.14 -2.52 0.55 0.00 0.00 0.00 0.00 23.12 21.01 1bj1 s ALA 25 CO -0.02 0.44 1.40 -1.13 0.00 0.00 0.00 175.76 176.45 1bj1 n SER 26 N 1.62 0.07 -3.72 0.00 3.41 -0.29 -4.74 113.62 109.96 1bj1 n SER 26 Ca -0.11 0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 58.93 1bj1 n SER 26 Cb 0.51 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 1bj1 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bj1 s GLN 27 N -3.04 1.45 -0.02 4.33 -2.07 -1.26 -4.96 119.66 114.08 1bj1 s GLN 27 Ca 0.05 -0.85 -0.30 0.00 -1.82 0.00 0.00 55.36 52.45 1bj1 s GLN 27 Cb 0.08 0.55 -0.06 0.00 -1.09 0.00 0.00 33.01 32.48 1bj1 s GLN 27 CO 0.23 -0.63 1.72 0.34 -1.32 0.00 0.00 175.29 175.63 1bj1 s ASP 28 N -2.87 6.62 -0.15 12.60 2.15 -1.26 -4.64 116.67 129.11 1bj1 s ASP 28 Ca 0.09 2.35 0.16 0.00 0.43 0.00 0.00 52.55 55.58 1bj1 s ASP 28 Cb -0.02 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.50 1bj1 s ASP 28 CO -0.02 -0.95 1.33 2.30 -0.17 0.00 0.00 175.17 177.66 1bj1 n ILE 29 N 5.43 2.05 0.00 4.11 -5.35 -0.88 -5.02 119.36 119.69 1bj1 n ILE 29 Ca 0.18 -1.88 0.00 0.00 -0.27 0.00 0.00 62.75 60.77 1bj1 n ILE 29 Cb 0.42 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1bj1 n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1bj1 n SER 30 N -0.67 0.00 -0.19 7.28 7.64 -1.26 -1.95 113.62 124.48 1bj1 n SER 30 Ca 0.19 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.16 1bj1 n SER 30 Cb 0.77 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 64.13 1bj1 n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bj1 n ASN 31 N 6.90 2.20 -4.04 6.43 3.02 -1.26 -2.05 115.26 126.46 1bj1 n ASN 31 Ca 0.00 -3.25 -0.43 0.00 -0.03 0.00 0.00 54.58 50.87 1bj1 n ASN 31 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1bj1 n ASN 31 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1bj1 n TYR 32 N -1.36 3.68 -3.81 3.10 4.01 -0.82 -2.65 117.16 119.30 1bj1 n TYR 32 Ca 0.17 -2.95 -0.13 0.00 -0.16 0.00 0.00 57.90 54.82 1bj1 n TYR 32 Cb 0.65 -2.21 -0.13 0.00 -0.31 0.00 0.00 39.34 37.34 1bj1 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1bj1 s LEU 33 N 1.19 1.33 0.23 7.72 2.96 -1.26 -1.51 118.68 129.35 1bj1 s LEU 33 Ca 0.43 0.25 0.11 0.00 -0.22 0.00 0.00 54.13 54.70 1bj1 s LEU 33 Cb 0.07 0.38 -0.05 0.00 0.50 0.00 0.00 46.19 47.10 1bj1 s LEU 33 CO -0.01 -0.07 -0.19 0.20 -1.32 0.00 0.00 176.35 174.96 1bj1 s ASN 34 N 0.37 3.23 -0.01 3.68 0.01 -0.05 -0.40 114.94 121.77 1bj1 s ASN 34 Ca -0.03 -0.98 0.05 0.00 -0.71 0.00 0.00 52.86 51.20 1bj1 s ASN 34 Cb -0.04 -0.24 -0.01 0.00 0.41 0.00 0.00 41.25 41.37 1bj1 s ASN 34 CO -0.01 0.00 -0.17 0.26 -1.51 0.00 0.00 177.10 175.67 1bj1 s TRP 35 N -2.39 1.49 0.15 2.20 0.52 -0.49 -0.54 118.94 119.89 1bj1 s TRP 35 Ca 0.25 -0.29 0.06 0.00 0.02 0.00 0.00 56.10 56.14 1bj1 s TRP 35 Cb -0.05 -0.96 -0.04 0.00 -1.15 0.00 0.00 33.47 31.27 1bj1 s TRP 35 CO 0.11 -0.03 -0.14 0.71 0.02 0.00 0.00 176.95 177.62 1bj1 s TYR 36 N -0.37 1.49 -0.07 -1.98 1.51 0.12 -1.14 117.35 116.92 1bj1 s TYR 36 Ca 0.06 -0.59 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 1bj1 s TYR 36 Cb -0.07 -0.75 -0.00 0.00 -0.11 0.00 0.00 41.96 41.04 1bj1 s TYR 36 CO -0.01 0.20 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.29 1bj1 s GLN 37 N -3.13 2.34 -0.12 -0.62 0.74 0.73 -1.26 119.66 118.33 1bj1 s GLN 37 Ca 0.14 -0.73 -0.00 0.00 0.05 0.00 0.00 55.36 54.82 1bj1 s GLN 37 Cb -0.02 -1.91 0.03 0.00 1.10 0.00 0.00 33.01 32.21 1bj1 s GLN 37 CO 0.04 0.23 -0.08 -1.14 -0.55 0.00 0.00 175.29 173.79 1bj1 s GLN 38 N 0.17 1.57 0.33 1.67 0.74 0.37 -0.75 119.66 123.76 1bj1 s GLN 38 Ca -0.10 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.02 1bj1 s GLN 38 Cb -0.15 -1.66 -0.03 0.00 1.10 0.00 0.00 33.01 32.27 1bj1 s GLN 38 CO 0.05 -0.28 0.53 0.15 -0.55 0.00 0.00 175.29 175.19 1bj1 s LYS 39 N 1.69 3.49 -0.16 1.67 1.02 -1.26 -1.92 119.74 124.26 1bj1 s LYS 39 Ca 0.05 -0.35 -0.40 0.00 0.02 0.00 0.00 55.97 55.28 1bj1 s LYS 39 Cb -0.13 -2.68 -0.17 0.00 -0.52 0.00 0.00 37.83 34.33 1bj1 s LYS 39 CO -0.08 0.18 1.49 -2.30 -0.92 0.00 0.00 175.35 173.72 1bj1 n PRO 40 N -1.69 0.78 -0.51 -1.68 -0.02 -1.26 -1.51 135.00 129.11 1bj1 n PRO 40 Ca -0.05 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1bj1 n PRO 40 Cb 0.56 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1bj1 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bj1 n GLY 41 N 3.23 1.14 3.90 -1.23 0.00 -1.26 -5.00 105.19 105.98 1bj1 n GLY 41 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1bj1 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bj1 s LYS 42 N -0.22 2.42 0.39 1.61 1.02 -0.57 -5.11 119.74 119.28 1bj1 s LYS 42 Ca 0.00 -1.69 -0.16 0.00 0.02 0.00 0.00 55.97 54.14 1bj1 s LYS 42 Cb 0.00 -2.32 -0.09 0.00 -0.52 0.00 0.00 37.83 34.90 1bj1 s LYS 42 CO 0.00 -0.39 0.83 0.00 -0.92 0.00 0.00 175.35 174.86 1bj1 s ALA 43 N -2.58 3.22 0.87 5.17 0.00 -1.26 -4.67 121.76 122.51 1bj1 s ALA 43 Ca 0.46 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 1bj1 s ALA 43 Cb -0.03 -2.90 0.11 0.00 0.00 0.00 0.00 23.12 20.30 1bj1 s ALA 43 CO 0.27 0.15 1.13 -2.30 0.00 0.00 0.00 175.76 175.01 1bj1 n PRO 44 N -0.74 -0.14 -4.01 0.00 -0.02 -1.26 -4.70 135.00 124.13 1bj1 n PRO 44 Ca 0.05 0.03 -0.20 0.00 -2.02 0.00 0.00 63.50 61.36 1bj1 n PRO 44 Cb 0.54 -2.37 -0.17 0.00 -0.02 0.00 0.00 33.50 31.48 1bj1 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1bj1 s LYS 45 N -4.30 0.68 0.18 -0.52 2.20 0.07 -4.94 119.74 113.11 1bj1 s LYS 45 Ca 0.70 -0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.98 1bj1 s LYS 45 Cb -0.26 -0.82 -0.09 0.00 -1.51 0.00 0.00 37.83 35.16 1bj1 s LYS 45 CO 0.55 -0.15 1.34 0.54 -0.36 0.00 0.00 175.35 177.27 1bj1 s VAL 46 N 1.23 3.21 -0.16 4.02 0.11 -1.26 -0.19 120.40 127.35 1bj1 s VAL 46 Ca -0.06 0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 59.91 1bj1 s VAL 46 Cb -0.14 -3.61 -0.09 0.00 -1.53 0.00 0.00 36.38 31.01 1bj1 s VAL 46 CO -0.02 0.12 -0.18 0.18 -3.33 0.00 0.00 175.10 171.88 1bj1 n LEU 47 N 2.98 2.12 -3.96 2.54 4.77 -0.29 -4.88 117.00 120.29 1bj1 n LEU 47 Ca 0.08 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1bj1 n LEU 47 Cb 0.42 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 1bj1 n LEU 47 CO 0.58 0.57 -0.36 -0.63 -1.33 0.00 0.00 177.39 176.22 1bj1 s ILE 48 N -2.31 0.09 0.13 -0.08 1.01 -1.18 -2.08 121.20 116.77 1bj1 s ILE 48 Ca -0.22 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1bj1 s ILE 48 Cb 0.07 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 1bj1 s ILE 48 CO 0.33 -0.39 -0.01 -0.72 0.00 0.00 0.00 174.94 174.15 1bj1 s TYR 49 N -1.15 0.95 -1.29 3.97 1.13 -0.61 -1.40 117.35 118.95 1bj1 s TYR 49 Ca -0.13 -1.05 -0.01 0.00 -1.41 0.00 0.00 57.07 54.47 1bj1 s TYR 49 Cb -0.08 -0.55 -0.00 0.00 -1.10 0.00 0.00 41.96 40.23 1bj1 s TYR 49 CO -0.01 -0.29 0.69 0.34 -2.51 0.00 0.00 175.55 173.78 1bj1 n PHE 50 N -0.10 -1.91 0.00 -3.49 7.35 -0.97 -0.90 117.46 117.44 1bj1 n PHE 50 Ca -0.09 0.81 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1bj1 n PHE 50 Cb 0.62 -4.29 0.00 0.00 0.35 0.00 0.00 39.48 36.16 1bj1 n PHE 50 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1bj1 n THR 51 N -4.24 0.00 -1.16 -2.13 -1.04 0.46 -3.94 114.28 102.23 1bj1 n THR 51 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1bj1 n THR 51 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1bj1 n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1bj1 n SER 52 N 0.57 0.00 -4.65 8.00 3.41 -1.13 -3.75 113.62 116.07 1bj1 n SER 52 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 1bj1 n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1bj1 n SER 52 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bj1 s SER 53 N 0.00 6.90 0.13 4.04 0.01 -0.07 -4.60 113.70 120.10 1bj1 s SER 53 Ca 0.00 1.11 -0.31 0.00 1.31 0.00 0.00 55.95 58.07 1bj1 s SER 53 Cb 0.00 -2.46 -0.08 0.00 0.21 0.00 0.00 66.02 63.70 1bj1 s SER 53 CO 0.00 -0.52 1.37 -0.22 0.41 0.00 0.00 173.24 174.28 1bj1 s LEU 54 N 2.77 4.38 0.55 2.44 0.20 -1.26 -1.57 118.68 126.18 1bj1 s LEU 54 Ca 0.37 2.33 -0.16 0.00 0.69 0.00 0.00 54.13 57.36 1bj1 s LEU 54 Cb -0.15 -3.59 -0.06 0.00 -0.43 0.00 0.00 46.19 41.95 1bj1 s LEU 54 CO 0.08 -0.62 1.01 -2.28 -0.29 0.00 0.00 176.35 174.25 1bj1 s HIS 55 N 0.91 3.37 0.38 5.38 5.65 -0.88 -4.95 115.29 125.15 1bj1 s HIS 55 Ca 0.63 1.46 -0.27 0.00 0.25 0.00 0.00 55.06 57.12 1bj1 s HIS 55 Cb -0.36 -2.83 -0.10 0.00 -1.18 0.00 0.00 32.58 28.11 1bj1 s HIS 55 CO 0.32 -0.58 1.37 -1.54 -0.65 0.00 0.00 174.74 173.65 1bj1 s SER 56 N -3.16 6.40 0.00 9.88 1.04 -1.26 -2.62 113.70 123.98 1bj1 s SER 56 Ca 0.59 2.80 0.00 0.00 0.48 0.00 0.00 55.95 59.83 1bj1 s SER 56 Cb -0.11 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1bj1 s SER 56 CO 0.36 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1bj1 n GLY 57 N 0.64 0.83 3.70 7.32 0.00 -1.26 -5.03 105.19 111.39 1bj1 n GLY 57 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1bj1 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bj1 s VAL 58 N -3.30 5.08 0.30 1.61 1.01 -1.08 -5.07 120.40 118.95 1bj1 s VAL 58 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1bj1 s VAL 58 Cb 0.00 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.99 1bj1 s VAL 58 CO 0.00 0.48 1.52 -2.84 0.00 0.00 0.00 175.10 174.26 1bj1 s PRO 59 N 0.13 4.18 0.16 2.72 0.02 -1.26 -4.87 135.00 136.07 1bj1 s PRO 59 Ca 0.07 2.48 0.08 0.00 0.02 0.00 0.00 61.00 63.65 1bj1 s PRO 59 Cb -0.12 -3.04 0.45 0.00 0.02 0.00 0.00 34.50 31.81 1bj1 s PRO 59 CO -0.00 -0.53 1.17 -1.13 -0.33 0.00 0.00 177.00 176.17 1bj1 n SER 60 N 1.87 0.21 0.21 2.53 3.41 -1.26 -1.60 113.62 118.99 1bj1 n SER 60 Ca 0.06 0.51 0.15 0.00 -0.26 0.00 0.00 58.87 59.33 1bj1 n SER 60 Cb 0.39 -0.51 0.66 0.00 -0.26 0.00 0.00 64.21 64.48 1bj1 n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1bj1 h ARG 61 N 0.00 0.00 -5.76 4.33 0.11 -1.94 -3.41 114.38 107.71 1bj1 h ARG 61 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 1bj1 h ARG 61 Cb 0.28 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.29 1bj1 h ARG 61 CO 0.00 0.00 -0.10 -0.06 0.10 0.00 0.00 179.97 179.91 1bj1 s PHE 62 N -3.57 3.51 0.08 4.08 0.08 -0.63 -1.67 117.98 119.87 1bj1 s PHE 62 Ca 0.01 0.93 -0.10 0.00 0.12 0.00 0.00 56.93 57.89 1bj1 s PHE 62 Cb 0.09 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1bj1 s PHE 62 CO 0.42 0.14 0.22 -1.54 -0.10 0.00 0.00 175.22 174.36 1bj1 s SER 63 N 0.68 0.05 0.09 1.36 1.04 -0.73 -4.97 113.70 111.23 1bj1 s SER 63 Ca 0.27 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 56.21 1bj1 s SER 63 Cb -0.15 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1bj1 s SER 63 CO 0.11 -0.69 -0.09 -0.83 0.98 0.00 0.00 173.24 172.72 1bj1 s GLY 64 N -2.62 0.82 0.16 7.32 0.00 -1.26 -1.21 107.32 110.53 1bj1 s GLY 64 Ca 0.02 -1.19 -0.08 0.00 0.00 0.00 0.00 44.72 43.47 1bj1 s GLY 64 CO -0.09 -1.26 0.25 -1.35 0.00 0.00 0.00 173.10 170.65 1bj1 s SER 65 N -2.48 0.08 0.00 1.64 1.04 -0.75 -4.51 113.70 108.72 1bj1 s SER 65 Ca 0.05 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1bj1 s SER 65 Cb -0.02 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1bj1 s SER 65 CO -0.01 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1bj1 n GLY 66 N -0.20 1.30 0.00 7.32 0.00 -1.26 -0.96 105.19 111.39 1bj1 n GLY 66 Ca -0.07 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1bj1 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bj1 n SER 67 N 0.00 0.00 0.00 1.61 3.41 -0.76 -4.99 113.62 112.88 1bj1 n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1bj1 n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1bj1 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bj1 n GLY 68 N -0.32 1.91 0.10 5.00 0.00 -0.87 -3.10 105.19 107.90 1bj1 n GLY 68 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.92 1bj1 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bj1 n THR 69 N 0.00 0.00 -4.41 2.61 -2.24 -1.26 -2.08 114.28 106.90 1bj1 n THR 69 Ca 0.00 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 1bj1 n THR 69 Cb 0.00 1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 69.11 1bj1 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1bj1 s ASP 70 N -0.70 2.73 0.07 3.42 1.01 -1.18 -0.22 116.67 121.80 1bj1 s ASP 70 Ca 0.03 -0.51 0.04 0.00 0.71 0.00 0.00 52.55 52.83 1bj1 s ASP 70 Cb 0.03 -1.24 -0.03 0.00 1.01 0.00 0.00 42.92 42.69 1bj1 s ASP 70 CO 0.08 0.02 -0.12 -0.36 0.21 0.00 0.00 175.17 175.00 1bj1 s PHE 71 N 1.06 1.05 -0.02 4.23 0.40 -0.02 -1.84 117.98 122.84 1bj1 s PHE 71 Ca -0.04 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1bj1 s PHE 71 Cb -0.15 -0.60 0.03 0.00 0.51 0.00 0.00 43.02 42.81 1bj1 s PHE 71 CO -0.04 0.01 0.01 0.99 0.70 0.00 0.00 175.22 176.89 1bj1 s THR 72 N -1.50 0.10 -0.14 0.64 2.01 -0.13 -1.49 115.64 115.13 1bj1 s THR 72 Ca -0.03 0.11 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 1bj1 s THR 72 Cb -0.09 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1bj1 s THR 72 CO 0.01 0.12 0.06 -0.22 -0.69 0.00 0.00 174.62 173.91 1bj1 s LEU 73 N 0.95 3.87 -0.01 4.42 2.96 0.08 -1.81 118.68 129.14 1bj1 s LEU 73 Ca -0.09 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1bj1 s LEU 73 Cb -0.12 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1bj1 s LEU 73 CO -0.02 0.28 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.25 1bj1 s THR 74 N -0.28 1.17 -0.33 3.68 2.01 -0.35 -0.63 115.64 120.91 1bj1 s THR 74 Ca 0.08 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1bj1 s THR 74 Cb -0.12 -0.98 0.08 0.00 0.01 0.00 0.00 72.50 71.49 1bj1 s THR 74 CO 0.02 0.33 0.05 -0.63 -0.69 0.00 0.00 174.62 173.70 1bj1 s ILE 75 N -0.31 2.67 0.53 1.82 1.01 -0.57 -1.77 121.20 124.59 1bj1 s ILE 75 Ca 0.05 -1.94 0.18 0.00 0.00 0.00 0.00 60.65 58.94 1bj1 s ILE 75 Cb -0.06 -2.77 0.28 0.00 0.01 0.00 0.00 42.46 39.92 1bj1 s ILE 75 CO -0.00 -0.42 2.17 0.77 0.00 0.00 0.00 174.94 177.46 1bj1 h SER 76 N 7.84 0.00 -2.12 3.58 4.64 -1.59 -1.54 113.55 124.35 1bj1 h SER 76 Ca -0.13 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.87 1bj1 h SER 76 Cb 1.04 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.80 1bj1 h SER 76 CO 0.56 0.00 -0.64 -0.55 -0.87 0.00 0.00 176.83 175.33 1bj1 s SER 77 N -6.93 1.61 0.09 4.97 0.15 -1.21 -3.90 113.70 108.48 1bj1 s SER 77 Ca -0.05 -0.80 -0.31 0.00 0.70 0.00 0.00 55.95 55.50 1bj1 s SER 77 Cb 0.17 0.53 -0.10 0.00 -1.71 0.00 0.00 66.02 64.91 1bj1 s SER 77 CO 0.65 -0.38 1.90 -0.22 1.20 0.00 0.00 173.24 176.39 1bj1 s LEU 78 N 2.31 4.42 0.19 3.45 2.96 0.10 -4.63 118.68 127.49 1bj1 s LEU 78 Ca 0.10 2.74 0.06 0.00 -0.22 0.00 0.00 54.13 56.81 1bj1 s LEU 78 Cb -0.14 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1bj1 s LEU 78 CO -0.31 -1.03 0.17 -1.10 -1.32 0.00 0.00 176.35 172.76 1bj1 s GLN 79 N 3.44 2.97 0.58 1.98 -1.52 -1.26 -0.60 119.66 125.24 1bj1 s GLN 79 Ca 0.84 -0.91 0.31 0.00 -1.95 0.00 0.00 55.36 53.66 1bj1 s GLN 79 Cb -0.45 -2.65 1.81 0.00 -0.22 0.00 0.00 33.01 31.50 1bj1 s GLN 79 CO 0.39 0.46 2.22 -1.00 -0.25 0.00 0.00 175.29 177.11 1bj1 h PRO 80 N 2.04 0.00 -0.24 2.91 0.13 -1.92 -1.78 132.00 133.15 1bj1 h PRO 80 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bj1 h PRO 80 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1bj1 h PRO 80 CO 0.63 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.58 1bj1 n GLU 81 N -3.67 1.60 -0.05 0.86 0.00 -1.17 -3.70 120.64 114.51 1bj1 n GLU 81 Ca -0.03 -0.92 0.12 0.00 0.00 0.00 0.00 57.16 56.34 1bj1 n GLU 81 Cb 0.12 -1.24 0.29 0.00 0.00 0.00 0.00 31.44 30.62 1bj1 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bj1 n ASP 82 N 0.22 2.42 -4.68 -1.84 8.00 -0.67 -4.89 116.55 115.12 1bj1 n ASP 82 Ca 0.10 -1.80 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 1bj1 n ASP 82 Cb 0.23 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1bj1 n ASP 82 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1bj1 s PHE 83 N -1.87 2.25 -0.09 1.24 5.36 -1.24 -4.86 117.98 118.77 1bj1 s PHE 83 Ca 0.34 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.54 1bj1 s PHE 83 Cb 0.20 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 1bj1 s PHE 83 CO 0.31 -3.99 0.00 0.00 -1.46 0.00 0.00 175.22 170.07 1bj1 n ALA 84 N 6.03 0.00 -3.06 11.12 0.00 -1.22 -4.83 120.51 128.55 1bj1 n ALA 84 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 1bj1 n ALA 84 Cb 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.69 1bj1 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bj1 s THR 85 N -2.68 1.91 -0.08 0.00 2.01 -0.81 -1.12 115.64 114.87 1bj1 s THR 85 Ca 0.00 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1bj1 s THR 85 Cb 0.00 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1bj1 s THR 85 CO 0.00 0.53 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.09 1bj1 s TYR 86 N 0.18 2.96 -0.01 4.92 1.51 -0.54 -0.48 117.35 125.89 1bj1 s TYR 86 Ca -0.12 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 55.95 1bj1 s TYR 86 Cb -0.16 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 1bj1 s TYR 86 CO 0.06 0.27 -0.17 0.71 -1.11 0.00 0.00 175.55 175.31 1bj1 s TYR 87 N -0.61 1.49 0.26 2.71 2.02 -0.39 -1.61 117.35 121.22 1bj1 s TYR 87 Ca 0.09 -0.29 0.06 0.00 -0.37 0.00 0.00 57.07 56.57 1bj1 s TYR 87 Cb -0.12 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 1bj1 s TYR 87 CO 0.02 -0.01 0.27 0.00 -1.57 0.00 0.00 175.55 174.25 1bj1 s GLN 89 N -3.91 0.35 0.04 0.00 0.74 0.30 -1.61 119.66 115.57 1bj1 s GLN 89 Ca 0.35 0.75 -0.05 0.00 0.05 0.00 0.00 55.36 56.46 1bj1 s GLN 89 Cb -0.08 -0.03 -0.05 0.00 1.10 0.00 0.00 33.01 33.95 1bj1 s GLN 89 CO 0.27 -0.17 0.28 1.14 -0.55 0.00 0.00 175.29 176.26 1bj1 s GLN 90 N 1.44 3.56 -0.16 1.67 1.03 -0.80 -0.87 119.66 125.55 1bj1 s GLN 90 Ca -0.09 -0.14 0.18 0.00 0.04 0.00 0.00 55.36 55.34 1bj1 s GLN 90 Cb -0.09 -3.03 0.44 0.00 0.03 0.00 0.00 33.01 30.36 1bj1 s GLN 90 CO -0.12 0.61 1.18 2.48 -2.54 0.00 0.00 175.29 176.90 1bj1 n TYR 91 N 0.79 0.63 0.03 9.60 4.11 -0.57 -3.79 117.16 127.96 1bj1 n TYR 91 Ca -0.09 -1.36 -0.20 0.00 -0.00 0.00 0.00 57.90 56.26 1bj1 n TYR 91 Cb 0.52 -0.22 -0.14 0.00 -0.00 0.00 0.00 39.34 39.50 1bj1 n TYR 91 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1bj1 h SER 92 N 1.45 0.42 -3.91 9.48 0.87 -1.85 -3.47 113.55 116.53 1bj1 h SER 92 Ca -0.05 -0.93 -0.24 0.00 -1.23 0.00 0.00 61.79 59.33 1bj1 h SER 92 Cb 1.45 -0.14 -0.27 0.00 -0.44 0.00 0.00 62.40 63.00 1bj1 h SER 92 CO 0.18 1.41 -0.73 0.42 -0.53 0.00 0.00 176.83 177.58 1bj1 s THR 93 N -2.42 0.11 0.33 2.23 -4.23 -1.26 -5.14 115.64 105.25 1bj1 s THR 93 Ca -0.15 -0.16 -0.26 0.00 -1.18 0.00 0.00 61.69 59.94 1bj1 s THR 93 Cb 0.01 -0.12 -0.09 0.00 1.34 0.00 0.00 72.50 73.64 1bj1 s THR 93 CO 0.81 -0.03 1.00 0.68 -0.54 0.00 0.00 174.62 176.54 1bj1 s VAL 94 N -0.20 3.91 0.38 2.29 -7.23 -1.26 -4.01 120.40 114.27 1bj1 s VAL 94 Ca -0.01 1.64 -0.24 0.00 -1.81 0.00 0.00 61.98 61.55 1bj1 s VAL 94 Cb -0.02 -3.93 -0.10 0.00 0.56 0.00 0.00 36.38 32.89 1bj1 s VAL 94 CO -0.00 0.18 0.99 -2.16 -0.31 0.00 0.00 175.10 173.80 1bj1 s PRO 95 N -1.98 4.34 0.24 4.82 0.04 -1.26 -4.80 135.00 136.40 1bj1 s PRO 95 Ca 0.50 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 1bj1 s PRO 95 Cb -0.23 -2.57 -0.12 0.00 0.04 0.00 0.00 34.50 31.62 1bj1 s PRO 95 CO 0.29 0.04 1.66 -1.58 0.04 0.00 0.00 177.00 177.45 1bj1 s TRP 96 N -1.74 2.85 0.04 0.56 0.23 -1.26 -4.72 118.94 114.90 1bj1 s TRP 96 Ca 0.56 0.55 0.06 0.00 -2.03 0.00 0.00 56.10 55.23 1bj1 s TRP 96 Cb -0.18 -4.10 -0.02 0.00 0.03 0.00 0.00 33.47 29.20 1bj1 s TRP 96 CO 0.23 -3.96 -0.17 0.95 0.96 0.00 0.00 176.95 174.96 1bj1 s THR 97 N 0.67 1.34 0.34 2.01 -4.23 -1.25 -5.00 115.64 109.51 1bj1 s THR 97 Ca 0.70 -1.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.23 1bj1 s THR 97 Cb -0.49 -1.18 -0.02 0.00 1.34 0.00 0.00 72.50 72.15 1bj1 s THR 97 CO 0.39 0.12 0.36 -0.36 -0.54 0.00 0.00 174.62 174.59 1bj1 s PHE 98 N -0.78 2.97 0.58 3.99 0.40 -1.26 -1.90 117.98 121.98 1bj1 s PHE 98 Ca 0.04 -0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.06 1bj1 s PHE 98 Cb -0.08 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1bj1 s PHE 98 CO 0.01 0.10 0.86 0.20 0.70 0.00 0.00 175.22 177.08 1bj1 s GLY 99 N -4.07 1.65 0.00 4.36 0.00 -0.63 -4.43 107.32 104.20 1bj1 s GLY 99 Ca 0.43 -0.93 0.15 0.00 0.00 0.00 0.00 44.72 44.37 1bj1 s GLY 99 CO 0.28 -0.64 1.53 0.61 0.00 0.00 0.00 173.10 174.88 1bj1 n GLN 100 N -2.51 0.92 0.00 2.90 -0.00 -1.26 -4.63 117.38 112.80 1bj1 n GLN 100 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.05 1bj1 n GLN 100 Cb 0.59 -1.26 0.00 0.00 -0.00 0.00 0.00 30.24 29.57 1bj1 n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bj1 n GLY 101 N 0.64 0.94 2.76 2.61 0.00 -1.26 -5.04 105.19 105.84 1bj1 n GLY 101 Ca 0.11 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 1bj1 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bj1 s THR 102 N -2.60 0.32 -0.26 2.61 2.01 -0.63 -4.59 115.64 112.50 1bj1 s THR 102 Ca 0.00 0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.97 1bj1 s THR 102 Cb 0.00 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1bj1 s THR 102 CO 0.00 0.25 0.54 -0.75 -0.69 0.00 0.00 174.62 173.97 1bj1 s LYS 103 N 1.96 4.07 -0.43 4.92 2.20 -0.70 -1.47 119.74 130.30 1bj1 s LYS 103 Ca 0.05 0.36 -0.18 0.00 -0.36 0.00 0.00 55.97 55.84 1bj1 s LYS 103 Cb -0.12 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1bj1 s LYS 103 CO -0.05 -0.37 0.47 0.08 -0.36 0.00 0.00 175.35 175.12 1bj1 s VAL 104 N 2.35 5.05 -0.11 4.02 1.01 -0.28 -1.00 120.40 131.43 1bj1 s VAL 104 Ca 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1bj1 s VAL 104 Cb -0.16 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1bj1 s VAL 104 CO 0.09 -0.46 0.06 -0.70 0.00 0.00 0.00 175.10 174.08 1bj1 s GLU 105 N 2.23 3.31 -0.18 2.72 2.56 0.83 -3.44 118.70 126.74 1bj1 s GLU 105 Ca 0.13 -0.31 -0.16 0.00 0.00 0.00 0.00 54.97 54.64 1bj1 s GLU 105 Cb -0.17 -3.00 -0.04 0.00 2.00 0.00 0.00 34.13 32.92 1bj1 s GLU 105 CO 0.14 0.65 0.38 0.42 -0.56 0.00 0.00 175.26 176.29 1bj1 s ILE 106 N -0.70 5.23 -0.23 -3.70 1.01 -1.26 -1.31 121.20 120.23 1bj1 s ILE 106 Ca 0.12 0.69 -0.12 0.00 0.00 0.00 0.00 60.65 61.34 1bj1 s ILE 106 Cb -0.12 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1bj1 s ILE 106 CO 0.02 0.30 0.21 -0.75 0.00 0.00 0.00 174.94 174.72 1bj1 s LYS 107 N 0.99 4.09 0.00 2.79 2.20 0.12 -4.86 119.74 125.08 1bj1 s LYS 107 Ca 0.19 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1bj1 s LYS 107 Cb -0.14 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1bj1 s LYS 107 CO 0.07 0.04 0.00 2.89 -0.36 0.00 0.00 175.35 177.99 1bj1 n ARG 108 N 4.32 0.00 -2.52 4.03 -4.01 -1.26 -3.98 116.66 113.24 1bj1 n ARG 108 Ca -0.14 0.00 -0.39 0.00 -1.04 0.00 0.00 57.85 56.29 1bj1 n ARG 108 Cb 0.52 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.90 1bj1 n ARG 108 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1bj1 s THR 109 N -0.36 3.62 0.12 8.89 -4.23 -1.26 -4.98 115.64 117.44 1bj1 s THR 109 Ca 0.00 1.44 -0.31 0.00 -1.18 0.00 0.00 61.69 61.64 1bj1 s THR 109 Cb 0.00 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.90 1bj1 s THR 109 CO 0.00 0.21 1.64 -0.69 -0.54 0.00 0.00 174.62 175.24 1bj1 s VAL 110 N -1.38 2.75 -0.03 2.29 1.01 -1.26 -4.75 120.40 119.02 1bj1 s VAL 110 Ca 0.50 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.95 1bj1 s VAL 110 Cb -0.27 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1bj1 s VAL 110 CO 0.35 0.01 -0.26 0.00 0.00 0.00 0.00 175.10 175.20 1bj1 s ALA 111 N 1.93 2.15 0.25 5.51 0.00 0.29 -4.91 121.76 126.97 1bj1 s ALA 111 Ca 0.73 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 1bj1 s ALA 111 Cb -0.43 -0.58 -0.08 0.00 0.00 0.00 0.00 23.12 22.04 1bj1 s ALA 111 CO 0.32 0.50 0.63 0.00 0.00 0.00 0.00 175.76 177.21 1bj1 s ALA 112 N -0.48 3.47 0.55 0.00 0.00 -1.26 -2.14 121.76 121.89 1bj1 s ALA 112 Ca 0.06 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 1bj1 s ALA 112 Cb -0.11 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 1bj1 s ALA 112 CO 0.00 0.42 1.01 -1.25 0.00 0.00 0.00 175.76 175.94 1bj1 s PRO 113 N -2.68 3.73 -0.52 0.00 0.04 -1.26 -4.53 135.00 129.78 1bj1 s PRO 113 Ca 0.48 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 1bj1 s PRO 113 Cb -0.12 -2.10 0.13 0.00 0.04 0.00 0.00 34.50 32.46 1bj1 s PRO 113 CO 0.19 -0.46 0.37 -1.12 0.04 0.00 0.00 177.00 176.03 1bj1 s SER 114 N -3.16 5.62 0.33 6.66 0.01 -0.56 -4.89 113.70 117.70 1bj1 s SER 114 Ca 0.59 -2.19 -0.22 0.00 1.31 0.00 0.00 55.95 55.45 1bj1 s SER 114 Cb -0.12 -1.96 -0.10 0.00 0.21 0.00 0.00 66.02 64.06 1bj1 s SER 114 CO 0.36 -0.59 0.87 -0.69 0.41 0.00 0.00 173.24 173.60 1bj1 s VAL 115 N 0.94 4.39 -0.04 3.43 1.01 -1.25 -0.14 120.40 128.74 1bj1 s VAL 115 Ca 0.09 1.52 -0.16 0.00 0.00 0.00 0.00 61.98 63.43 1bj1 s VAL 115 Cb -0.23 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1bj1 s VAL 115 CO -0.03 0.01 0.35 -0.36 0.00 0.00 0.00 175.10 175.07 1bj1 s PHE 116 N -1.78 -0.26 -0.10 5.22 0.40 -0.44 -4.97 117.98 116.05 1bj1 s PHE 116 Ca 0.52 0.47 -0.00 0.00 -0.60 0.00 0.00 56.93 57.32 1bj1 s PHE 116 Cb -0.15 0.13 0.02 0.00 0.51 0.00 0.00 43.02 43.54 1bj1 s PHE 116 CO 0.20 -0.38 -0.07 -1.50 0.70 0.00 0.00 175.22 174.17 1bj1 s ILE 117 N -1.05 0.94 -0.20 0.64 2.07 -1.26 -0.68 121.20 121.65 1bj1 s ILE 117 Ca -0.11 -0.25 -0.08 0.00 -1.41 0.00 0.00 60.65 58.80 1bj1 s ILE 117 Cb -0.04 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1bj1 s ILE 117 CO 0.04 0.35 0.08 -0.36 -1.91 0.00 0.00 174.94 173.14 1bj1 s PHE 118 N 1.57 3.26 0.52 3.50 0.08 0.18 -4.96 117.98 122.12 1bj1 s PHE 118 Ca 0.02 0.08 -0.17 0.00 0.12 0.00 0.00 56.93 56.97 1bj1 s PHE 118 Cb -0.13 -2.13 -0.07 0.00 -0.57 0.00 0.00 43.02 40.11 1bj1 s PHE 118 CO -0.06 0.11 1.00 -2.14 -0.10 0.00 0.00 175.22 174.02 1bj1 s PRO 119 N 0.59 3.87 0.06 0.24 0.02 -1.26 -1.31 135.00 137.21 1bj1 s PRO 119 Ca 0.04 1.01 -0.31 0.00 0.02 0.00 0.00 61.00 61.77 1bj1 s PRO 119 Cb -0.13 -2.12 -0.06 0.00 0.02 0.00 0.00 34.50 32.21 1bj1 s PRO 119 CO 0.01 -0.34 1.29 -1.25 -0.33 0.00 0.00 177.00 176.39 1bj1 s PRO 120 N -3.99 4.36 0.72 5.54 0.04 -1.26 -4.89 135.00 135.53 1bj1 s PRO 120 Ca 0.60 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 63.37 1bj1 s PRO 120 Cb -0.11 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.09 1bj1 s PRO 120 CO 0.31 -0.39 1.24 -1.54 0.04 0.00 0.00 177.00 176.66 1bj1 s SER 121 N 1.26 4.15 0.50 6.66 1.04 -1.26 -4.86 113.70 121.18 1bj1 s SER 121 Ca 0.61 2.48 0.29 0.00 0.48 0.00 0.00 55.95 59.81 1bj1 s SER 121 Cb -0.32 -2.60 1.12 0.00 0.10 0.00 0.00 66.02 64.32 1bj1 s SER 121 CO 0.28 -2.30 1.90 0.44 0.98 0.00 0.00 173.24 174.54 1bj1 h ASP 122 N -0.15 0.00 -0.14 7.02 3.32 -1.99 -1.40 116.42 123.09 1bj1 h ASP 122 Ca -0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 1bj1 h ASP 122 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1bj1 h ASP 122 CO 0.50 0.10 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.84 1bj1 h GLU 123 N 0.00 0.38 -0.56 3.56 4.22 -2.01 -2.58 114.58 117.59 1bj1 h GLU 123 Ca -0.00 -0.23 -0.11 0.00 0.08 0.00 0.00 59.36 59.10 1bj1 h GLU 123 Cb 0.64 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1bj1 h GLU 123 CO 0.01 0.81 -0.10 0.37 -2.18 0.00 0.00 179.01 177.92 1bj1 h GLN 124 N -0.02 1.05 -0.47 1.92 4.15 -1.88 -3.17 115.11 116.69 1bj1 h GLN 124 Ca 0.01 -0.39 0.07 0.00 0.77 0.00 0.00 58.65 59.12 1bj1 h GLN 124 Cb 0.77 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.33 1bj1 h GLN 124 CO 0.05 1.08 0.12 -0.07 -1.93 0.00 0.00 178.83 178.08 1bj1 h LEU 125 N 0.93 0.06 -2.23 -2.39 4.07 -1.21 0.82 115.31 115.36 1bj1 h LEU 125 Ca 0.14 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1bj1 h LEU 125 Cb 0.67 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1bj1 h LEU 125 CO 0.05 0.06 0.00 0.07 -1.08 0.00 0.00 178.44 177.54 1bj1 h LYS 126 N 0.26 0.00 -0.01 1.13 5.09 -1.43 -0.25 116.57 121.36 1bj1 h LYS 126 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.97 1bj1 h LYS 126 Cb 0.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.61 1bj1 h LYS 126 CO -0.28 0.00 0.00 0.43 -2.09 0.00 0.00 179.45 177.51 1bj1 n SER 127 N -2.78 0.07 0.00 7.07 7.64 0.28 -4.87 113.62 121.02 1bj1 n SER 127 Ca -0.02 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.27 1bj1 n SER 127 Cb 0.09 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1bj1 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bj1 n GLY 128 N 0.72 0.55 0.00 0.23 0.00 -0.11 -5.03 105.19 101.56 1bj1 n GLY 128 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1bj1 n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bj1 n THR 129 N -2.89 0.00 -3.46 2.61 -2.24 -1.23 -1.97 114.28 105.10 1bj1 n THR 129 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1bj1 n THR 129 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1bj1 n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bj1 s ALA 130 N -2.00 -2.85 -0.32 6.98 0.00 -0.83 -3.55 121.76 119.19 1bj1 s ALA 130 Ca 0.00 1.95 0.01 0.00 0.00 0.00 0.00 51.96 53.91 1bj1 s ALA 130 Cb 0.00 -2.07 0.10 0.00 0.00 0.00 0.00 23.12 21.15 1bj1 s ALA 130 CO 0.00 -0.61 0.09 -1.12 0.00 0.00 0.00 175.76 174.11 1bj1 s SER 131 N 1.57 4.23 0.07 0.00 0.01 -1.26 -0.52 113.70 117.80 1bj1 s SER 131 Ca -0.05 -1.80 -0.27 0.00 1.31 0.00 0.00 55.95 55.15 1bj1 s SER 131 Cb -0.02 -1.08 -0.06 0.00 0.21 0.00 0.00 66.02 65.07 1bj1 s SER 131 CO -0.13 -0.40 0.86 -0.69 0.41 0.00 0.00 173.24 173.28 1bj1 s VAL 132 N 1.40 4.64 0.16 3.43 1.01 0.21 -4.14 120.40 127.11 1bj1 s VAL 132 Ca 0.10 1.83 0.11 0.00 0.00 0.00 0.00 61.98 64.02 1bj1 s VAL 132 Cb -0.18 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1bj1 s VAL 132 CO -0.20 0.34 -0.24 -0.69 0.00 0.00 0.00 175.10 174.30 1bj1 s VAL 133 N 0.00 2.17 -0.14 2.92 1.01 -0.43 -0.18 120.40 125.76 1bj1 s VAL 133 Ca 0.43 -1.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 1bj1 s VAL 133 Cb -0.22 -1.97 0.07 0.00 0.00 0.00 0.00 36.38 34.26 1bj1 s VAL 133 CO 0.26 -0.06 0.27 0.00 0.00 0.00 0.00 175.10 175.57 1bj1 s LEU 135 N 2.42 3.74 -0.79 0.00 2.96 0.14 -1.34 118.68 125.81 1bj1 s LEU 135 Ca 0.02 0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 1bj1 s LEU 135 Cb -0.12 -1.94 0.20 0.00 0.50 0.00 0.00 46.19 44.84 1bj1 s LEU 135 CO -0.09 0.18 0.68 -0.76 -1.32 0.00 0.00 176.35 175.04 1bj1 s LEU 136 N 0.30 5.91 0.06 -0.68 1.02 -0.44 -1.33 118.68 123.52 1bj1 s LEU 136 Ca 0.02 -3.04 -0.30 0.00 0.02 0.00 0.00 54.13 50.83 1bj1 s LEU 136 Cb -0.13 -2.02 -0.05 0.00 0.02 0.00 0.00 46.19 44.02 1bj1 s LEU 136 CO 0.01 -0.39 1.10 0.21 0.02 0.00 0.00 176.35 177.29 1bj1 s ASN 137 N 1.08 7.22 0.01 2.29 2.47 0.81 -2.71 114.94 126.10 1bj1 s ASN 137 Ca 0.21 1.90 0.00 0.00 0.42 0.00 0.00 52.86 55.38 1bj1 s ASN 137 Cb -0.14 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1bj1 s ASN 137 CO -0.07 -0.34 0.00 0.59 -3.72 0.00 0.00 177.10 173.56 1bj1 n ASN 138 N 3.63 -2.77 -1.44 -4.21 3.02 -1.16 -1.50 115.26 110.83 1bj1 n ASN 138 Ca 0.07 1.24 -0.01 0.00 -0.03 0.00 0.00 54.58 55.85 1bj1 n ASN 138 Cb 0.48 -2.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.07 1bj1 n ASN 138 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1bj1 n PHE 139 N 1.92 -0.73 -3.65 3.10 -1.74 -1.13 -4.30 117.46 110.93 1bj1 n PHE 139 Ca 0.00 -0.24 -0.02 0.00 -0.56 0.00 0.00 57.45 56.62 1bj1 n PHE 139 Cb 0.00 0.12 -0.07 0.00 1.52 0.00 0.00 39.48 41.05 1bj1 n PHE 139 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1bj1 s TYR 140 N -5.31 -0.05 0.00 2.97 6.14 -0.91 -2.46 117.35 117.73 1bj1 s TYR 140 Ca 0.04 0.12 0.00 0.00 0.64 0.00 0.00 57.07 57.88 1bj1 s TYR 140 Cb -0.01 0.44 0.00 0.00 0.42 0.00 0.00 41.96 42.81 1bj1 s TYR 140 CO 0.01 -0.03 0.00 -0.35 0.64 0.00 0.00 175.55 175.83 1bj1 n PRO 141 N 1.74 -0.93 0.10 4.97 -0.04 -1.26 0.10 135.00 139.69 1bj1 n PRO 141 Ca -0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.32 1bj1 n PRO 141 Cb 0.57 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.23 1bj1 n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1bj1 h ARG 142 N 0.00 0.22 -6.60 0.54 2.43 -1.97 -3.46 114.38 105.53 1bj1 h ARG 142 Ca 0.00 -0.12 -0.53 0.00 -0.81 0.00 0.00 59.98 58.53 1bj1 h ARG 142 Cb 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1bj1 h ARG 142 CO 0.00 0.65 0.67 -1.83 -1.51 0.00 0.00 179.97 177.95 1bj1 s GLU 143 N -4.01 4.37 0.13 0.20 1.03 -1.26 -5.04 118.70 114.11 1bj1 s GLU 143 Ca -0.04 2.03 -0.25 0.00 0.03 0.00 0.00 54.97 56.74 1bj1 s GLU 143 Cb 0.13 -3.23 0.07 0.00 -0.80 0.00 0.00 34.13 30.30 1bj1 s GLU 143 CO 0.78 -0.32 0.76 0.00 -1.33 0.00 0.00 175.26 175.14 1bj1 s ALA 144 N 0.62 -1.62 -0.25 -0.84 0.00 -1.26 -4.52 121.76 113.89 1bj1 s ALA 144 Ca 0.60 0.47 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1bj1 s ALA 144 Cb -0.36 0.70 0.07 0.00 0.00 0.00 0.00 23.12 23.54 1bj1 s ALA 144 CO 0.34 -0.83 -0.02 0.21 0.00 0.00 0.00 175.76 175.46 1bj1 s LYS 145 N -3.52 1.46 -0.49 0.00 2.20 -0.04 -4.98 119.74 114.37 1bj1 s LYS 145 Ca 0.05 -1.08 -0.13 0.00 -0.36 0.00 0.00 55.97 54.45 1bj1 s LYS 145 Cb -0.02 -2.57 0.11 0.00 -1.51 0.00 0.00 37.83 33.84 1bj1 s LYS 145 CO -0.07 -0.68 0.40 0.08 -0.36 0.00 0.00 175.35 174.72 1bj1 s VAL 146 N 1.38 4.84 -0.20 4.02 1.01 -1.26 -1.80 120.40 128.39 1bj1 s VAL 146 Ca -0.02 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 60.46 1bj1 s VAL 146 Cb -0.19 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1bj1 s VAL 146 CO -0.09 -0.72 0.01 -1.58 0.00 0.00 0.00 175.10 172.72 1bj1 s GLN 147 N 1.53 3.64 0.39 2.72 -0.44 -0.76 -4.91 119.66 121.82 1bj1 s GLN 147 Ca 0.04 -0.51 -0.08 0.00 -2.50 0.00 0.00 55.36 52.31 1bj1 s GLN 147 Cb -0.27 -3.10 -0.06 0.00 -1.64 0.00 0.00 33.01 27.95 1bj1 s GLN 147 CO 0.03 0.01 0.72 -1.58 0.50 0.00 0.00 175.29 174.98 1bj1 s TRP 148 N 1.00 3.49 -0.17 1.67 0.52 -1.26 -0.14 118.94 124.05 1bj1 s TRP 148 Ca 0.02 0.91 -0.04 0.00 0.02 0.00 0.00 56.10 57.00 1bj1 s TRP 148 Cb -0.14 -2.34 0.08 0.00 -1.15 0.00 0.00 33.47 29.92 1bj1 s TRP 148 CO 0.02 -0.08 0.27 0.15 0.02 0.00 0.00 176.95 177.33 1bj1 s LYS 149 N -3.96 0.19 -0.53 4.98 1.02 -0.61 -1.85 119.74 118.98 1bj1 s LYS 149 Ca 0.49 0.55 0.04 0.00 0.02 0.00 0.00 55.97 57.06 1bj1 s LYS 149 Cb -0.10 -0.47 0.13 0.00 -0.52 0.00 0.00 37.83 36.87 1bj1 s LYS 149 CO 0.34 -0.45 0.27 0.08 -0.92 0.00 0.00 175.35 174.67 1bj1 s VAL 150 N 2.41 2.66 -0.38 3.17 1.01 -0.80 -0.95 120.40 127.52 1bj1 s VAL 150 Ca 0.05 -3.32 -0.00 0.00 0.00 0.00 0.00 61.98 58.70 1bj1 s VAL 150 Cb -0.14 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 1bj1 s VAL 150 CO -0.11 -0.81 0.32 0.47 0.00 0.00 0.00 175.10 174.97 1bj1 n ASP 151 N 3.10 -2.02 0.00 3.32 9.92 -0.62 -3.68 116.55 126.56 1bj1 n ASP 151 Ca 0.05 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1bj1 n ASP 151 Cb 0.32 -1.96 0.00 0.00 -0.64 0.00 0.00 41.12 38.84 1bj1 n ASP 151 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1bj1 n ASN 152 N -1.68 0.00 -4.53 -2.24 5.03 -1.26 -4.96 115.26 105.63 1bj1 n ASN 152 Ca -0.09 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 54.93 1bj1 n ASN 152 Cb 0.55 -0.36 -0.06 0.00 -1.02 0.00 0.00 39.78 38.90 1bj1 n ASN 152 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bj1 s ALA 153 N -1.68 3.30 -0.03 5.41 0.00 -1.24 -5.01 121.76 122.50 1bj1 s ALA 153 Ca 0.00 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 1bj1 s ALA 153 Cb 0.00 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 1bj1 s ALA 153 CO 0.00 -1.92 1.68 -0.51 0.00 0.00 0.00 175.76 175.01 1bj1 s LEU 154 N 3.21 4.34 0.45 0.00 1.02 -1.26 -1.90 118.68 124.53 1bj1 s LEU 154 Ca 0.28 2.30 -0.20 0.00 0.02 0.00 0.00 54.13 56.53 1bj1 s LEU 154 Cb -0.13 -3.54 -0.10 0.00 0.02 0.00 0.00 46.19 42.44 1bj1 s LEU 154 CO 0.21 -0.93 0.96 -1.10 0.02 0.00 0.00 176.35 175.51 1bj1 s GLN 155 N 3.95 4.15 -0.21 1.70 -1.52 -0.77 -4.97 119.66 121.99 1bj1 s GLN 155 Ca 0.75 1.11 -0.11 0.00 -1.95 0.00 0.00 55.36 55.16 1bj1 s GLN 155 Cb -0.35 -2.17 0.07 0.00 -0.22 0.00 0.00 33.01 30.35 1bj1 s GLN 155 CO 0.31 -0.10 0.50 0.45 -0.25 0.00 0.00 175.29 176.20 1bj1 s SER 156 N -2.32 -0.64 0.00 5.90 0.15 -1.26 -4.55 113.70 110.98 1bj1 s SER 156 Ca 0.62 1.10 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1bj1 s SER 156 Cb -0.10 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.25 1bj1 s SER 156 CO 0.17 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1bj1 n GLY 157 N 4.39 0.78 0.23 9.45 0.00 -1.26 -4.94 105.19 113.84 1bj1 n GLY 157 Ca -0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.84 1bj1 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bj1 n ASN 158 N 0.00 0.91 -4.18 1.61 0.23 -1.26 -5.08 115.26 107.49 1bj1 n ASN 158 Ca 0.00 -2.14 -0.22 0.00 -0.53 0.00 0.00 54.58 51.69 1bj1 n ASN 158 Cb 0.00 -0.21 -0.14 0.00 -2.08 0.00 0.00 39.78 37.36 1bj1 n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1bj1 s SER 159 N -1.37 1.93 -0.04 0.53 1.04 -1.26 -2.25 113.70 112.28 1bj1 s SER 159 Ca 0.09 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.06 1bj1 s SER 159 Cb 0.08 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1bj1 s SER 159 CO 0.01 0.07 -0.10 -1.10 0.98 0.00 0.00 173.24 173.11 1bj1 s GLN 160 N -1.16 1.19 -0.17 4.02 -0.21 -0.94 -4.96 119.66 117.42 1bj1 s GLN 160 Ca 0.04 -0.32 -0.03 0.00 0.02 0.00 0.00 55.36 55.07 1bj1 s GLN 160 Cb -0.08 -1.06 -0.02 0.00 1.00 0.00 0.00 33.01 32.84 1bj1 s GLN 160 CO 0.01 0.06 -0.06 -1.83 -2.12 0.00 0.00 175.29 171.35 1bj1 s GLU 161 N 0.44 3.52 -0.27 2.91 -1.05 -1.26 -1.87 118.70 121.12 1bj1 s GLU 161 Ca -0.08 -0.59 -0.07 0.00 -0.15 0.00 0.00 54.97 54.08 1bj1 s GLU 161 Cb -0.12 -2.86 -0.01 0.00 -0.44 0.00 0.00 34.13 30.70 1bj1 s GLU 161 CO 0.01 0.12 0.06 -1.12 0.95 0.00 0.00 175.26 175.28 1bj1 s SER 162 N 0.66 5.02 0.07 0.83 0.01 0.28 -4.93 113.70 115.63 1bj1 s SER 162 Ca -0.04 -0.46 -0.09 0.00 1.31 0.00 0.00 55.95 56.68 1bj1 s SER 162 Cb -0.15 -1.88 -0.06 0.00 0.21 0.00 0.00 66.02 64.15 1bj1 s SER 162 CO 0.02 -0.10 0.38 -0.69 0.41 0.00 0.00 173.24 173.26 1bj1 s VAL 163 N 1.55 5.12 0.54 3.43 1.01 -1.26 -0.96 120.40 129.82 1bj1 s VAL 163 Ca 0.05 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 1bj1 s VAL 163 Cb -0.16 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 1bj1 s VAL 163 CO 0.02 0.29 0.82 0.28 0.00 0.00 0.00 175.10 176.52 1bj1 s THR 164 N -1.39 3.97 0.51 3.92 -1.32 0.69 -4.97 115.64 117.05 1bj1 s THR 164 Ca 0.32 -0.08 -0.11 0.00 -1.21 0.00 0.00 61.69 60.61 1bj1 s THR 164 Cb -0.14 -3.54 -0.06 0.00 -1.51 0.00 0.00 72.50 67.26 1bj1 s THR 164 CO 0.18 -0.51 0.90 -0.70 -2.21 0.00 0.00 174.62 172.28 1bj1 s GLU 165 N -4.84 3.74 0.11 7.08 2.56 -1.26 -4.51 118.70 121.57 1bj1 s GLU 165 Ca 0.51 0.63 -0.31 0.00 0.00 0.00 0.00 54.97 55.80 1bj1 s GLU 165 Cb -0.10 -2.24 -0.11 0.00 2.00 0.00 0.00 34.13 33.68 1bj1 s GLU 165 CO 0.43 -0.27 1.85 0.94 -0.56 0.00 0.00 175.26 177.66 1bj1 n GLN 166 N -1.93 2.79 -2.23 4.30 7.27 -1.26 -4.66 117.38 121.65 1bj1 n GLN 166 Ca 0.04 1.01 -0.42 0.00 0.07 0.00 0.00 57.00 57.70 1bj1 n GLN 166 Cb 0.54 -2.92 -0.03 0.00 2.41 0.00 0.00 30.24 30.25 1bj1 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1bj1 s ASP 167 N 2.95 6.87 0.00 1.69 -1.08 -0.14 -4.90 116.67 122.05 1bj1 s ASP 167 Ca 0.83 2.14 0.11 0.00 -0.52 0.00 0.00 52.55 55.11 1bj1 s ASP 167 Cb -0.48 -2.57 0.66 0.00 -1.46 0.00 0.00 42.92 39.08 1bj1 s ASP 167 CO 0.38 -0.69 1.15 -1.54 0.52 0.00 0.00 175.17 174.99 1bj1 n SER 168 N 5.02 0.00 -0.07 -0.34 3.41 -1.26 -0.20 113.62 120.18 1bj1 n SER 168 Ca 0.12 -0.87 -0.13 0.00 -0.26 0.00 0.00 58.87 57.74 1bj1 n SER 168 Cb 0.44 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 1bj1 n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bj1 n LYS 169 N -0.79 0.35 0.00 4.33 4.01 -1.26 -3.05 118.16 121.76 1bj1 n LYS 169 Ca 0.08 0.15 0.05 0.00 -0.51 0.00 0.00 58.31 58.08 1bj1 n LYS 169 Cb 0.04 -1.10 0.01 0.00 -0.51 0.00 0.00 35.03 33.46 1bj1 n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1bj1 n ASP 170 N -3.92 1.34 -2.45 4.39 5.68 -1.23 -4.94 116.55 115.42 1bj1 n ASP 170 Ca -0.23 -1.17 -0.18 0.00 -0.50 0.00 0.00 54.79 52.70 1bj1 n ASP 170 Cb 0.56 0.40 0.03 0.00 -1.14 0.00 0.00 41.12 40.97 1bj1 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1bj1 n SER 171 N -0.12 -5.27 -4.86 -1.12 7.64 0.72 -4.98 113.62 105.63 1bj1 n SER 171 Ca 0.05 -0.22 -0.21 0.00 1.01 0.00 0.00 58.87 59.50 1bj1 n SER 171 Cb 0.23 -4.13 -0.03 0.00 -1.01 0.00 0.00 64.21 59.27 1bj1 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1bj1 s THR 172 N -3.05 4.19 0.45 0.44 -4.23 -1.26 -4.70 115.64 107.49 1bj1 s THR 172 Ca 0.23 -1.31 0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1bj1 s THR 172 Cb -0.10 -3.38 -0.05 0.00 1.34 0.00 0.00 72.50 70.31 1bj1 s THR 172 CO 0.28 -0.27 0.06 -0.31 -0.54 0.00 0.00 174.62 173.84 1bj1 s TYR 173 N -2.18 2.30 0.03 3.99 2.02 -1.03 -0.97 117.35 121.51 1bj1 s TYR 173 Ca 0.37 -0.75 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1bj1 s TYR 173 Cb -0.07 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1bj1 s TYR 173 CO 0.26 0.29 0.05 -1.12 -1.57 0.00 0.00 175.55 173.46 1bj1 s SER 174 N -3.83 0.22 -0.01 2.29 0.01 -1.26 -2.86 113.70 108.26 1bj1 s SER 174 Ca 0.28 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.01 1bj1 s SER 174 Cb 0.06 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.47 1bj1 s SER 174 CO 0.15 -0.43 -0.02 -0.22 0.41 0.00 0.00 173.24 173.12 1bj1 s LEU 175 N -1.90 1.79 -0.11 2.44 0.20 -1.10 -0.22 118.68 119.78 1bj1 s LEU 175 Ca -0.08 -0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.70 1bj1 s LEU 175 Cb -0.04 -0.16 -0.02 0.00 -0.43 0.00 0.00 46.19 45.54 1bj1 s LEU 175 CO -0.03 -0.00 -0.13 -0.94 -0.29 0.00 0.00 176.35 174.96 1bj1 s SER 176 N 0.21 4.03 -0.02 3.68 1.04 -0.14 -1.33 113.70 121.18 1bj1 s SER 176 Ca -0.02 -0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.21 1bj1 s SER 176 Cb -0.04 -1.40 -0.02 0.00 0.10 0.00 0.00 66.02 64.66 1bj1 s SER 176 CO -0.01 0.22 -0.26 -0.55 0.98 0.00 0.00 173.24 173.62 1bj1 s SER 177 N 0.04 3.07 -0.18 7.02 0.15 -0.45 -0.56 113.70 122.78 1bj1 s SER 177 Ca -0.04 -0.47 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 1bj1 s SER 177 Cb -0.14 -0.35 0.06 0.00 -1.71 0.00 0.00 66.02 63.88 1bj1 s SER 177 CO 0.04 0.32 0.06 -0.89 1.20 0.00 0.00 173.24 173.97 1bj1 s THR 178 N -0.61 0.28 -0.41 6.45 2.01 -0.78 -1.88 115.64 120.69 1bj1 s THR 178 Ca 0.10 -0.40 -0.17 0.00 0.31 0.00 0.00 61.69 61.53 1bj1 s THR 178 Cb -0.10 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.58 1bj1 s THR 178 CO -0.01 -0.24 0.43 -0.22 -0.69 0.00 0.00 174.62 173.89 1bj1 s LEU 179 N 1.97 4.79 -0.14 4.42 2.96 0.74 -2.23 118.68 131.19 1bj1 s LEU 179 Ca 0.00 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 1bj1 s LEU 179 Cb -0.17 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1bj1 s LEU 179 CO -0.08 -0.55 0.11 -0.89 -1.32 0.00 0.00 176.35 173.62 1bj1 s THR 180 N 2.14 5.23 0.33 3.68 2.01 -0.95 -0.62 115.64 127.45 1bj1 s THR 180 Ca 0.12 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.29 1bj1 s THR 180 Cb -0.17 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1bj1 s THR 180 CO 0.13 0.56 0.22 -0.76 -0.69 0.00 0.00 174.62 174.08 1bj1 s LEU 181 N -0.51 1.71 0.28 4.42 1.02 0.32 -4.90 118.68 121.02 1bj1 s LEU 181 Ca 0.12 -1.68 0.02 0.00 0.02 0.00 0.00 54.13 52.61 1bj1 s LEU 181 Cb -0.12 0.38 -0.03 0.00 0.02 0.00 0.00 46.19 46.44 1bj1 s LEU 181 CO 0.02 -0.99 0.45 -0.94 0.02 0.00 0.00 176.35 174.90 1bj1 s SER 182 N -3.39 6.32 0.13 2.29 1.04 -1.26 -1.97 113.70 116.86 1bj1 s SER 182 Ca 0.37 0.28 -0.31 0.00 0.48 0.00 0.00 55.95 56.78 1bj1 s SER 182 Cb 0.03 -1.96 -0.07 0.00 0.10 0.00 0.00 66.02 64.12 1bj1 s SER 182 CO 0.22 -0.17 1.56 0.50 0.98 0.00 0.00 173.24 176.34 1bj1 h LYS 183 N 1.09 -0.44 -0.40 4.02 3.64 -1.44 0.27 116.57 123.31 1bj1 h LYS 183 Ca -0.50 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1bj1 h LYS 183 Cb 1.22 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1bj1 h LYS 183 CO 0.62 -0.29 0.19 0.00 -2.27 0.00 0.00 179.45 177.70 1bj1 h ALA 184 N 0.04 0.51 0.00 5.00 0.00 -1.91 -1.68 119.26 121.22 1bj1 h ALA 184 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1bj1 h ALA 184 Cb 0.63 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1bj1 h ALA 184 CO -0.50 0.08 -0.11 0.22 0.00 0.00 0.00 179.25 178.94 1bj1 h ASP 185 N 0.51 0.00 -0.03 0.00 3.58 -1.94 -2.40 116.42 116.13 1bj1 h ASP 185 Ca 0.14 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 1bj1 h ASP 185 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1bj1 h ASP 185 CO -0.02 0.11 -0.17 0.22 -2.88 0.00 0.00 179.24 176.50 1bj1 h TYR 186 N 0.00 0.23 -0.46 0.28 3.20 -0.49 -3.35 116.97 116.38 1bj1 h TYR 186 Ca -0.00 -0.10 -0.67 0.00 3.14 0.00 0.00 58.73 61.09 1bj1 h TYR 186 Cb 0.51 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1bj1 h TYR 186 CO 0.00 0.82 3.05 0.39 -1.64 0.00 0.00 178.16 180.78 1bj1 n GLU 187 N -4.58 3.94 0.00 1.82 1.02 -0.67 -2.83 120.64 119.34 1bj1 n GLU 187 Ca -0.09 -2.63 0.00 0.00 -0.02 0.00 0.00 57.16 54.42 1bj1 n GLU 187 Cb 0.43 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 1bj1 n GLU 187 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1bj1 n LYS 188 N 2.76 0.00 -4.60 3.49 2.85 -1.24 -4.94 118.16 116.48 1bj1 n LYS 188 Ca 0.70 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.69 1bj1 n LYS 188 Cb 0.27 -0.05 -0.08 0.00 -0.65 0.00 0.00 35.03 34.52 1bj1 n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1bj1 s HIS 189 N 0.00 1.86 0.31 5.58 3.76 -1.13 -5.11 115.29 120.56 1bj1 s HIS 189 Ca 0.00 -1.12 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 1bj1 s HIS 189 Cb 0.00 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1bj1 s HIS 189 CO 0.00 -0.07 0.00 1.17 -0.85 0.00 0.00 174.74 174.99 1bj1 n LYS 190 N -1.02 0.00 -2.10 1.40 4.81 -1.26 -4.85 118.16 115.14 1bj1 n LYS 190 Ca -0.10 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.94 1bj1 n LYS 190 Cb 0.66 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.68 1bj1 n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1bj1 s VAL 191 N -1.99 3.45 -0.27 3.15 1.01 -1.26 -1.25 120.40 123.23 1bj1 s VAL 191 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1bj1 s VAL 191 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1bj1 s VAL 191 CO 0.00 -0.88 0.14 -0.31 0.00 0.00 0.00 175.10 174.05 1bj1 s TYR 192 N 8.14 3.16 0.07 5.22 2.02 -1.05 -1.59 117.35 133.33 1bj1 s TYR 192 Ca 0.66 -0.18 0.04 0.00 -0.37 0.00 0.00 57.07 57.22 1bj1 s TYR 192 Cb -0.14 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 39.06 1bj1 s TYR 192 CO 0.23 -0.28 -0.11 0.00 -1.57 0.00 0.00 175.55 173.83 1bj1 s ALA 193 N 1.69 0.97 -0.13 3.71 0.00 -0.13 -2.07 121.76 125.80 1bj1 s ALA 193 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1bj1 s ALA 193 Cb -0.16 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1bj1 s ALA 193 CO 0.08 0.02 -0.11 0.00 0.00 0.00 0.00 175.76 175.75 1bj1 s GLU 195 N 1.57 3.42 -0.15 0.00 2.12 0.80 -2.67 118.70 123.79 1bj1 s GLU 195 Ca 0.05 -0.57 -0.18 0.00 0.36 0.00 0.00 54.97 54.63 1bj1 s GLU 195 Cb -0.13 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 1bj1 s GLU 195 CO -0.10 -0.58 0.47 0.08 -0.54 0.00 0.00 175.26 174.59 1bj1 s VAL 196 N 1.95 5.18 -0.12 3.70 1.01 -0.35 -1.83 120.40 129.94 1bj1 s VAL 196 Ca 0.10 0.89 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1bj1 s VAL 196 Cb -0.17 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1bj1 s VAL 196 CO 0.12 0.28 -0.14 -0.89 0.00 0.00 0.00 175.10 174.47 1bj1 s THR 197 N 0.98 1.43 0.08 3.92 2.01 -0.74 -0.86 115.64 122.45 1bj1 s THR 197 Ca 0.24 -0.59 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 1bj1 s THR 197 Cb -0.15 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1bj1 s THR 197 CO 0.09 0.43 0.28 -2.28 -0.69 0.00 0.00 174.62 172.46 1bj1 s HIS 198 N 1.17 -0.04 0.44 4.92 2.46 -1.26 -0.86 115.29 122.12 1bj1 s HIS 198 Ca -0.03 -0.24 0.21 0.00 0.47 0.00 0.00 55.06 55.47 1bj1 s HIS 198 Cb -0.14 0.08 1.22 0.00 -0.13 0.00 0.00 32.58 33.61 1bj1 s HIS 198 CO -0.04 -0.56 2.03 0.37 -2.47 0.00 0.00 174.74 174.07 1bj1 h GLN 199 N 2.88 0.00 -0.00 2.88 4.15 -1.91 0.27 115.11 123.38 1bj1 h GLN 199 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1bj1 h GLN 199 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1bj1 h GLN 199 CO 0.50 0.16 -0.13 0.41 -1.93 0.00 0.00 178.83 177.83 1bj1 n GLY 200 N -0.85 -1.34 3.31 2.39 0.00 -1.26 -4.65 105.19 102.78 1bj1 n GLY 200 Ca -0.02 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1bj1 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bj1 s LEU 201 N -2.88 4.60 0.22 0.99 1.02 0.08 -4.46 118.68 118.25 1bj1 s LEU 201 Ca 0.17 -1.15 -0.08 0.00 0.02 0.00 0.00 54.13 53.09 1bj1 s LEU 201 Cb 0.19 -1.94 0.27 0.00 0.02 0.00 0.00 46.19 44.72 1bj1 s LEU 201 CO 0.55 -0.38 1.83 0.77 0.02 0.00 0.00 176.35 179.14 1bj1 h SER 202 N 8.33 0.70 -3.69 2.29 4.64 -1.83 -3.40 113.55 120.58 1bj1 h SER 202 Ca -0.24 0.02 -0.48 0.00 -0.47 0.00 0.00 61.79 60.62 1bj1 h SER 202 Cb 1.09 -0.13 -0.32 0.00 -0.31 0.00 0.00 62.40 62.73 1bj1 h SER 202 CO 0.65 0.45 -0.80 -0.44 -0.87 0.00 0.00 176.83 175.82 1bj1 s SER 203 N -5.69 1.54 -0.12 4.97 0.01 -1.26 -5.09 113.70 108.05 1bj1 s SER 203 Ca -0.13 -0.25 -0.36 0.00 1.31 0.00 0.00 55.95 56.52 1bj1 s SER 203 Cb 0.17 -0.53 -0.13 0.00 0.21 0.00 0.00 66.02 65.73 1bj1 s SER 203 CO 0.77 0.06 1.80 -2.65 0.41 0.00 0.00 173.24 173.64 1bj1 n PRO 204 N 3.47 1.83 -1.98 12.44 -0.02 -1.26 -4.96 135.00 144.53 1bj1 n PRO 204 Ca -0.20 0.67 -0.28 0.00 -2.02 0.00 0.00 63.50 61.67 1bj1 n PRO 204 Cb 0.53 -2.46 0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1bj1 n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1bj1 s VAL 205 N 3.58 2.25 -0.26 -1.45 1.01 -0.04 -4.86 120.40 120.64 1bj1 s VAL 205 Ca 0.93 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.70 1bj1 s VAL 205 Cb -0.82 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 32.57 1bj1 s VAL 205 CO 0.55 -0.08 0.67 -0.89 0.00 0.00 0.00 175.10 175.35 1bj1 s THR 206 N -3.47 -0.00 -0.04 3.92 2.01 -1.26 -1.22 115.64 115.58 1bj1 s THR 206 Ca 0.61 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.68 1bj1 s THR 206 Cb -0.11 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 1bj1 s THR 206 CO 0.48 0.00 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.62 1bj1 s LYS 207 N 0.84 2.35 0.13 4.92 3.01 -1.09 -4.99 119.74 124.91 1bj1 s LYS 207 Ca -0.04 -0.91 -0.13 0.00 -1.01 0.00 0.00 55.97 53.89 1bj1 s LYS 207 Cb -0.05 -2.12 0.02 0.00 -1.01 0.00 0.00 37.83 34.67 1bj1 s LYS 207 CO -0.07 0.47 0.33 -1.54 0.51 0.00 0.00 175.35 175.06 1bj1 s SER 208 N -0.39 -0.08 0.02 2.83 1.04 -1.26 -1.90 113.70 113.96 1bj1 s SER 208 Ca 0.03 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1bj1 s SER 208 Cb -0.12 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1bj1 s SER 208 CO 0.01 -0.85 -0.04 0.72 0.98 0.00 0.00 173.24 174.07 1bj1 s PHE 209 N -3.86 0.30 -0.35 5.02 -0.12 -0.88 -4.99 117.98 113.10 1bj1 s PHE 209 Ca 0.07 -0.51 -0.22 0.00 -0.05 0.00 0.00 56.93 56.22 1bj1 s PHE 209 Cb 0.03 -0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1bj1 s PHE 209 CO -0.09 -0.17 0.70 -0.80 -0.05 0.00 0.00 175.22 174.82 1bj1 s ASN 210 N -1.43 6.50 -0.08 1.98 -0.87 -1.26 -2.51 114.94 117.26 1bj1 s ASN 210 Ca -0.15 0.30 -0.35 0.00 -1.57 0.00 0.00 52.86 51.09 1bj1 s ASN 210 Cb -0.10 -2.36 -0.13 0.00 -0.02 0.00 0.00 41.25 38.64 1bj1 s ASN 210 CO -0.01 -0.64 1.81 -1.14 -2.57 0.00 0.00 177.10 174.55 1bj1 n ARG 211 N 6.18 1.98 0.00 -0.60 0.63 -0.38 -0.89 116.66 123.58 1bj1 n ARG 211 Ca 0.01 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1bj1 n ARG 211 Cb 0.48 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.87 1bj1 n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bj1 n GLY 212 N 4.20 0.84 0.00 5.14 0.00 -1.26 -4.92 105.19 109.19 1bj1 n GLY 212 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1bj1 n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50