#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 3.03 -0.16 0.53 1.01 -1.26 -5.01 121.20 119.34 1bj1 s ILE 2 Ca 0.00 1.00 -0.04 0.00 0.00 0.00 0.00 60.65 61.61 1bj1 s ILE 2 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1bj1 s ILE 2 CO 0.00 0.22 -0.02 -1.58 0.00 0.00 0.00 174.94 173.56 1bj1 s GLN 3 N -1.37 3.71 -0.15 2.79 0.74 -1.26 -4.80 119.66 119.34 1bj1 s GLN 3 Ca 0.49 -0.49 -0.05 0.00 0.05 0.00 0.00 55.36 55.35 1bj1 s GLN 3 Cb -0.37 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 1bj1 s GLN 3 CO 0.47 0.23 0.04 -1.64 -0.55 0.00 0.00 175.29 173.84 1bj1 s MET 4 N 0.40 3.61 -0.22 1.67 -1.94 -1.26 -1.35 119.30 120.21 1bj1 s MET 4 Ca -0.03 -0.36 0.01 0.00 -1.71 0.00 0.00 55.69 53.60 1bj1 s MET 4 Cb -0.14 -3.06 0.06 0.00 2.01 0.00 0.00 34.83 33.70 1bj1 s MET 4 CO 0.02 0.45 -0.06 0.99 -0.01 0.00 0.00 175.02 176.41 1bj1 s THR 5 N -0.14 1.47 0.14 2.05 2.01 -0.66 -4.44 115.64 116.07 1bj1 s THR 5 Ca 0.06 -1.11 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 1bj1 s THR 5 Cb -0.12 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.62 1bj1 s THR 5 CO 0.01 -0.04 0.44 -1.10 -0.69 0.00 0.00 174.62 173.25 1bj1 s GLN 6 N 1.43 3.76 -0.19 4.92 -0.21 -1.26 -1.44 119.66 126.67 1bj1 s GLN 6 Ca -0.04 0.16 -0.17 0.00 0.02 0.00 0.00 55.36 55.33 1bj1 s GLN 6 Cb -0.18 -2.87 0.05 0.00 1.00 0.00 0.00 33.01 31.01 1bj1 s GLN 6 CO -0.07 0.47 0.50 -1.54 -2.12 0.00 0.00 175.29 172.54 1bj1 s SER 7 N -2.07 -0.53 0.87 5.90 1.04 -0.04 -4.55 113.70 114.32 1bj1 s SER 7 Ca 0.39 1.01 -0.13 0.00 0.48 0.00 0.00 55.95 57.71 1bj1 s SER 7 Cb -0.13 1.02 0.11 0.00 0.10 0.00 0.00 66.02 67.13 1bj1 s SER 7 CO 0.21 -0.18 1.18 -2.16 0.98 0.00 0.00 173.24 173.27 1bj1 s PRO 8 N 0.29 1.50 0.23 4.02 0.04 -1.26 -0.35 135.00 139.48 1bj1 s PRO 8 Ca -0.00 0.12 0.06 0.00 0.04 0.00 0.00 61.00 61.21 1bj1 s PRO 8 Cb -0.04 -1.90 0.24 0.00 0.04 0.00 0.00 34.50 32.84 1bj1 s PRO 8 CO 0.00 -1.92 1.55 0.77 0.04 0.00 0.00 177.00 177.44 1bj1 h SER 9 N -1.29 0.20 -4.91 6.66 0.02 -1.82 -3.40 113.55 109.00 1bj1 h SER 9 Ca -0.47 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.30 1bj1 h SER 9 Cb 1.32 -0.06 -0.19 0.00 0.14 0.00 0.00 62.40 63.61 1bj1 h SER 9 CO 0.61 0.79 0.18 -0.94 -1.14 0.00 0.00 176.83 176.34 1bj1 s SER 10 N -6.89 -0.66 0.09 3.07 1.04 -1.26 -1.21 113.70 107.87 1bj1 s SER 10 Ca -0.03 0.78 -0.08 0.00 0.48 0.00 0.00 55.95 57.10 1bj1 s SER 10 Cb 0.12 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 1bj1 s SER 10 CO 0.79 -0.58 0.17 -1.48 0.98 0.00 0.00 173.24 173.13 1bj1 s LEU 11 N -1.05 1.52 -0.05 2.42 0.05 -0.61 -4.92 118.68 116.04 1bj1 s LEU 11 Ca -0.10 -0.68 0.03 0.00 0.05 0.00 0.00 54.13 53.42 1bj1 s LEU 11 Cb -0.00 0.96 0.01 0.00 -2.05 0.00 0.00 46.19 45.11 1bj1 s LEU 11 CO 0.09 -0.72 -0.12 -0.55 -0.55 0.00 0.00 176.35 174.50 1bj1 s SER 12 N -2.87 1.70 0.08 1.48 0.15 -1.26 -0.96 113.70 112.02 1bj1 s SER 12 Ca 0.05 -0.28 -0.16 0.00 0.70 0.00 0.00 55.95 56.26 1bj1 s SER 12 Cb 0.05 -0.65 0.03 0.00 -1.71 0.00 0.00 66.02 63.75 1bj1 s SER 12 CO -0.11 0.07 0.37 0.00 1.20 0.00 0.00 173.24 174.77 1bj1 s ALA 13 N 0.42 -0.86 0.43 5.45 0.00 -0.44 -4.87 121.76 121.89 1bj1 s ALA 13 Ca -0.09 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1bj1 s ALA 13 Cb -0.13 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1bj1 s ALA 13 CO 0.03 -0.52 0.73 -1.12 0.00 0.00 0.00 175.76 174.88 1bj1 s SER 14 N -2.38 6.35 0.15 0.00 0.01 -1.26 -0.61 113.70 115.96 1bj1 s SER 14 Ca -0.01 0.90 -0.31 0.00 1.31 0.00 0.00 55.95 57.84 1bj1 s SER 14 Cb 0.01 -2.23 -0.10 0.00 0.21 0.00 0.00 66.02 63.90 1bj1 s SER 14 CO -0.07 -0.46 1.69 -0.69 0.41 0.00 0.00 173.24 174.12 1bj1 s VAL 15 N -2.54 2.49 0.00 3.43 1.01 -1.26 -1.70 120.40 121.84 1bj1 s VAL 15 Ca 0.47 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1bj1 s VAL 15 Cb -0.10 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1bj1 s VAL 15 CO 0.39 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1bj1 n GLY 16 N 3.98 2.83 3.80 4.51 0.00 0.21 -4.90 105.19 115.63 1bj1 n GLY 16 Ca 0.16 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 -1.30 5.72 -0.07 1.61 1.11 -0.69 -4.39 116.67 118.67 1bj1 s ASP 17 Ca 0.00 1.81 -0.15 0.00 0.18 0.00 0.00 52.55 54.39 1bj1 s ASP 17 Cb 0.00 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.41 1bj1 s ASP 17 CO 0.00 -1.21 0.38 -0.60 1.18 0.00 0.00 175.17 174.93 1bj1 s ARG 18 N -4.15 4.07 -0.07 8.23 3.52 -1.24 0.35 118.95 129.66 1bj1 s ARG 18 Ca 0.63 0.32 0.03 0.00 -0.13 0.00 0.00 55.73 56.58 1bj1 s ARG 18 Cb -0.16 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1bj1 s ARG 18 CO 0.39 0.46 -0.17 0.08 -0.81 0.00 0.00 175.30 175.25 1bj1 s VAL 19 N -0.30 1.47 -0.07 7.11 1.01 0.58 -4.98 120.40 125.22 1bj1 s VAL 19 Ca 0.22 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1bj1 s VAL 19 Cb -0.15 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1bj1 s VAL 19 CO 0.10 0.43 -0.12 0.42 0.00 0.00 0.00 175.10 175.92 1bj1 s THR 20 N 0.35 1.18 -0.04 3.92 -4.23 -1.26 -0.20 115.64 115.36 1bj1 s THR 20 Ca -0.12 -0.49 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1bj1 s THR 20 Cb -0.15 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 1bj1 s THR 20 CO 0.04 0.37 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.73 1bj1 s ILE 21 N 0.75 3.15 0.10 2.99 1.01 0.84 -4.82 121.20 125.23 1bj1 s ILE 21 Ca -0.13 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1bj1 s ILE 21 Cb -0.16 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1bj1 s ILE 21 CO 0.03 0.56 0.04 -0.89 0.00 0.00 0.00 174.94 174.67 1bj1 s THR 22 N -0.78 4.22 -0.05 2.92 2.01 0.53 -0.26 115.64 124.23 1bj1 s THR 22 Ca 0.12 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1bj1 s THR 22 Cb -0.11 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.39 1bj1 s THR 22 CO 0.01 0.08 0.11 0.00 -0.69 0.00 0.00 174.62 174.14 1bj1 s SER 24 N 0.63 2.09 0.12 0.00 0.15 -0.52 -0.88 113.70 115.30 1bj1 s SER 24 Ca -0.05 -0.33 -0.10 0.00 0.70 0.00 0.00 55.95 56.18 1bj1 s SER 24 Cb -0.07 -0.88 -0.06 0.00 -1.71 0.00 0.00 66.02 63.30 1bj1 s SER 24 CO -0.03 -0.05 0.44 0.00 1.20 0.00 0.00 173.24 174.81 1bj1 s ALA 25 N 1.26 3.69 -1.39 5.45 0.00 0.41 -1.66 121.76 129.51 1bj1 s ALA 25 Ca -0.03 -0.35 0.16 0.00 0.00 0.00 0.00 51.96 51.74 1bj1 s ALA 25 Cb -0.14 -2.32 0.77 0.00 0.00 0.00 0.00 23.12 21.44 1bj1 s ALA 25 CO -0.04 0.55 1.44 -1.13 0.00 0.00 0.00 175.76 176.59 1bj1 n SER 26 N 0.61 0.00 -3.49 0.00 3.41 -0.46 -4.75 113.62 108.94 1bj1 n SER 26 Ca -0.05 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.55 1bj1 n SER 26 Cb 0.52 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.61 0.92 0.01 4.33 -2.07 -1.26 -4.96 119.66 114.03 1bj1 s GLN 27 Ca 0.14 -0.24 -0.32 0.00 -1.82 0.00 0.00 55.36 53.12 1bj1 s GLN 27 Cb 0.10 0.43 -0.11 0.00 -1.09 0.00 0.00 33.01 32.34 1bj1 s GLN 27 CO 0.24 -0.38 1.88 -3.47 -1.32 0.00 0.00 175.29 172.23 1bj1 n ASP 28 N -0.06 3.76 -0.17 12.60 2.03 -1.26 -4.70 116.55 128.75 1bj1 n ASP 28 Ca -0.12 0.96 0.02 0.00 0.52 0.00 0.00 54.79 56.18 1bj1 n ASP 28 Cb 0.62 -1.46 0.05 0.00 -0.72 0.00 0.00 41.12 39.61 1bj1 n ASP 28 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1bj1 n ILE 29 N 5.03 1.14 0.00 5.18 -5.35 -0.39 -5.01 119.36 119.96 1bj1 n ILE 29 Ca 0.20 -1.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.52 1bj1 n ILE 29 Cb 0.34 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 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 -0.40 0.00 -0.07 7.28 7.64 -1.25 -1.89 113.62 124.93 1bj1 n SER 30 Ca 0.05 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.02 1bj1 n SER 30 Cb 0.35 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.68 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 10.56 2.35 -3.63 6.43 3.02 -1.26 -1.16 115.26 131.57 1bj1 n ASN 31 Ca 0.00 -3.05 -0.41 0.00 -0.03 0.00 0.00 54.58 51.09 1bj1 n ASN 31 Cb 0.00 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 38.75 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 -1.40 2.94 -4.05 3.10 4.01 -0.79 -2.79 117.16 118.18 1bj1 n TYR 32 Ca 0.15 -2.92 -0.15 0.00 -0.16 0.00 0.00 57.90 54.82 1bj1 n TYR 32 Cb 0.63 -2.23 -0.15 0.00 -0.31 0.00 0.00 39.34 37.28 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 0.27 1.81 0.25 7.72 2.96 -1.26 -1.49 118.68 128.95 1bj1 s LEU 33 Ca 0.51 -0.06 0.12 0.00 -0.22 0.00 0.00 54.13 54.48 1bj1 s LEU 33 Cb 0.14 -0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.58 1bj1 s LEU 33 CO -0.06 0.01 -0.21 0.20 -1.32 0.00 0.00 176.35 174.97 1bj1 s ASN 34 N 0.17 3.54 -0.04 3.68 0.01 0.11 -0.90 114.94 121.52 1bj1 s ASN 34 Ca -0.01 -0.98 0.04 0.00 -0.71 0.00 0.00 52.86 51.20 1bj1 s ASN 34 Cb -0.04 -0.29 -0.00 0.00 0.41 0.00 0.00 41.25 41.33 1bj1 s ASN 34 CO -0.00 0.06 -0.16 0.26 -1.51 0.00 0.00 177.10 175.74 1bj1 s TRP 35 N -2.26 1.61 0.18 2.20 0.52 0.10 -1.29 118.94 120.00 1bj1 s TRP 35 Ca 0.27 -0.43 0.09 0.00 0.02 0.00 0.00 56.10 56.05 1bj1 s TRP 35 Cb -0.06 -1.08 -0.04 0.00 -1.15 0.00 0.00 33.47 31.14 1bj1 s TRP 35 CO 0.13 -0.13 -0.19 0.71 0.02 0.00 0.00 176.95 177.49 1bj1 s TYR 36 N -0.03 1.91 -0.10 -1.98 1.51 0.82 -0.81 117.35 118.67 1bj1 s TYR 36 Ca -0.02 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1bj1 s TYR 36 Cb -0.10 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.82 1bj1 s TYR 36 CO 0.01 0.39 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.51 1bj1 s GLN 37 N -2.92 2.53 -0.14 -0.62 0.74 0.12 -1.47 119.66 117.89 1bj1 s GLN 37 Ca 0.18 -0.69 0.02 0.00 0.05 0.00 0.00 55.36 54.92 1bj1 s GLN 37 Cb -0.05 -2.01 0.01 0.00 1.10 0.00 0.00 33.01 32.06 1bj1 s GLN 37 CO 0.08 0.06 -0.18 -1.14 -0.55 0.00 0.00 175.29 173.55 1bj1 s GLN 38 N 0.65 2.64 0.23 1.67 0.74 -0.12 0.44 119.66 125.90 1bj1 s GLN 38 Ca -0.13 -0.71 0.04 0.00 0.05 0.00 0.00 55.36 54.61 1bj1 s GLN 38 Cb -0.16 -2.22 -0.03 0.00 1.10 0.00 0.00 33.01 31.69 1bj1 s GLN 38 CO 0.04 -0.09 0.36 0.15 -0.55 0.00 0.00 175.29 175.19 1bj1 s LYS 39 N 1.05 3.44 -0.23 1.67 1.02 -1.26 -2.09 119.74 123.34 1bj1 s LYS 39 Ca -0.03 -0.70 -0.40 0.00 0.02 0.00 0.00 55.97 54.86 1bj1 s LYS 39 Cb -0.14 -2.89 -0.16 0.00 -0.52 0.00 0.00 37.83 34.12 1bj1 s LYS 39 CO -0.05 0.43 1.70 -2.30 -0.92 0.00 0.00 175.35 174.21 1bj1 n PRO 40 N -1.28 1.18 -0.94 -1.68 -0.02 -1.26 -1.25 135.00 129.75 1bj1 n PRO 40 Ca -0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1bj1 n PRO 40 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 4.01 0.64 3.62 -1.23 0.00 -1.26 -5.01 105.19 105.95 1bj1 n GLY 41 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.28 1.99 0.54 1.61 1.02 -0.38 -5.13 119.74 119.11 1bj1 s LYS 42 Ca 0.00 -1.91 -0.16 0.00 0.02 0.00 0.00 55.97 53.91 1bj1 s LYS 42 Cb 0.00 -1.79 -0.06 0.00 -0.52 0.00 0.00 37.83 35.45 1bj1 s LYS 42 CO 0.00 0.05 1.01 0.00 -0.92 0.00 0.00 175.35 175.50 1bj1 s ALA 43 N -2.61 2.94 0.83 5.17 0.00 -1.26 -4.51 121.76 122.32 1bj1 s ALA 43 Ca 0.35 0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 1bj1 s ALA 43 Cb 0.04 -3.17 0.09 0.00 0.00 0.00 0.00 23.12 20.08 1bj1 s ALA 43 CO 0.19 -0.45 1.14 -2.30 0.00 0.00 0.00 175.76 174.34 1bj1 n PRO 44 N -1.71 0.08 -4.31 0.00 -0.02 -1.26 -4.57 135.00 123.21 1bj1 n PRO 44 Ca 0.07 0.10 -0.23 0.00 -2.02 0.00 0.00 63.50 61.43 1bj1 n PRO 44 Cb 0.53 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.46 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 -4.11 1.30 0.07 -0.52 2.20 0.17 -4.92 119.74 113.93 1bj1 s LYS 45 Ca 0.72 -0.25 -0.31 0.00 -0.36 0.00 0.00 55.97 55.77 1bj1 s LYS 45 Cb -0.28 -1.18 -0.06 0.00 -1.51 0.00 0.00 37.83 34.79 1bj1 s LYS 45 CO 0.53 -0.06 1.29 0.54 -0.36 0.00 0.00 175.35 177.28 1bj1 s VAL 46 N 0.93 3.75 -0.20 4.02 0.11 -1.26 0.12 120.40 127.86 1bj1 s VAL 46 Ca -0.10 1.24 -0.12 0.00 -2.93 0.00 0.00 61.98 60.06 1bj1 s VAL 46 Cb -0.15 -3.79 -0.08 0.00 -1.53 0.00 0.00 36.38 30.82 1bj1 s VAL 46 CO 0.01 0.08 -0.29 0.18 -3.33 0.00 0.00 175.10 171.75 1bj1 n LEU 47 N 4.12 1.64 -4.04 2.54 4.77 0.01 -4.82 117.00 121.21 1bj1 n LEU 47 Ca 0.10 0.28 -0.19 0.00 -0.03 0.00 0.00 56.01 56.17 1bj1 n LEU 47 Cb 0.45 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 1bj1 n LEU 47 CO 0.57 0.25 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.81 1bj1 s ILE 48 N -2.50 0.78 0.10 -0.08 1.01 -1.14 -1.10 121.20 118.27 1bj1 s ILE 48 Ca -0.29 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1bj1 s ILE 48 Cb 0.10 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 1bj1 s ILE 48 CO 0.38 0.17 -0.11 -0.72 0.00 0.00 0.00 174.94 174.66 1bj1 s TYR 49 N -0.33 1.13 -1.22 3.97 1.13 -0.54 -0.72 117.35 120.77 1bj1 s TYR 49 Ca 0.03 -0.61 -0.00 0.00 -1.41 0.00 0.00 57.07 55.08 1bj1 s TYR 49 Cb -0.04 -0.61 0.00 0.00 -1.10 0.00 0.00 41.96 40.20 1bj1 s TYR 49 CO -0.00 0.03 0.95 0.34 -2.51 0.00 0.00 175.55 174.36 1bj1 n PHE 50 N 0.64 -2.15 0.00 -3.49 7.35 -0.87 -1.31 117.46 117.62 1bj1 n PHE 50 Ca -0.17 0.92 0.00 0.00 -0.76 0.00 0.00 57.45 57.45 1bj1 n PHE 50 Cb 0.57 -4.97 0.00 0.00 0.35 0.00 0.00 39.48 35.43 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 -4.17 0.00 -1.18 -2.13 -1.04 -0.08 -3.98 114.28 101.70 1bj1 n THR 51 Ca -0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 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 1.08 0.00 -4.66 8.00 3.41 -1.23 -3.68 113.62 116.55 1bj1 n SER 52 Ca 0.00 -1.01 -0.41 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 63.90 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 -0.01 6.88 0.06 4.04 0.01 -0.43 -4.63 113.70 119.62 1bj1 s SER 53 Ca 0.00 1.08 -0.30 0.00 1.31 0.00 0.00 55.95 58.04 1bj1 s SER 53 Cb 0.00 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 1bj1 s SER 53 CO 0.00 -0.40 1.15 -0.22 0.41 0.00 0.00 173.24 174.17 1bj1 s LEU 54 N 2.27 4.38 0.49 2.44 0.20 -1.26 -1.46 118.68 125.73 1bj1 s LEU 54 Ca 0.36 1.96 -0.20 0.00 0.69 0.00 0.00 54.13 56.93 1bj1 s LEU 54 Cb -0.16 -3.58 -0.08 0.00 -0.43 0.00 0.00 46.19 41.94 1bj1 s LEU 54 CO 0.11 -0.40 1.05 -2.28 -0.29 0.00 0.00 176.35 174.54 1bj1 s HIS 55 N 0.89 2.97 0.29 5.38 5.65 -0.26 -4.95 115.29 125.27 1bj1 s HIS 55 Ca 0.56 1.58 -0.30 0.00 0.25 0.00 0.00 55.06 57.15 1bj1 s HIS 55 Cb -0.28 -3.10 -0.12 0.00 -1.18 0.00 0.00 32.58 27.90 1bj1 s HIS 55 CO 0.30 -0.91 1.54 -1.13 -0.65 0.00 0.00 174.74 173.89 1bj1 n SER 56 N -0.94 3.57 0.00 9.88 3.41 -1.26 -2.64 113.62 125.64 1bj1 n SER 56 Ca 0.09 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1bj1 n SER 56 Cb 0.52 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 1bj1 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bj1 n GLY 57 N 2.04 0.75 3.70 5.00 0.00 -1.26 -5.06 105.19 110.35 1bj1 n GLY 57 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.48 4.75 0.43 1.61 1.01 -1.08 -5.07 120.40 119.56 1bj1 s VAL 58 Ca 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 1bj1 s VAL 58 Cb 0.00 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 1bj1 s VAL 58 CO 0.00 0.54 1.46 -2.84 0.00 0.00 0.00 175.10 174.26 1bj1 s PRO 59 N -0.32 3.82 0.00 2.72 0.02 -1.26 -4.91 135.00 135.07 1bj1 s PRO 59 Ca 0.08 2.49 0.06 0.00 0.02 0.00 0.00 61.00 63.66 1bj1 s PRO 59 Cb -0.12 -2.76 0.26 0.00 0.02 0.00 0.00 34.50 31.89 1bj1 s PRO 59 CO 0.02 -0.74 1.17 -1.13 -0.33 0.00 0.00 177.00 175.99 1bj1 n SER 60 N 0.02 0.00 0.03 2.53 3.41 -1.26 -1.89 113.62 116.46 1bj1 n SER 60 Ca 0.04 0.47 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 1bj1 n SER 60 Cb 0.41 -0.48 0.43 0.00 -0.26 0.00 0.00 64.21 64.30 1bj1 n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1bj1 n ARG 61 N -1.48 0.05 -3.45 4.33 1.85 -1.26 -4.59 116.66 112.11 1bj1 n ARG 61 Ca 0.02 0.20 -0.37 0.00 -1.00 0.00 0.00 57.85 56.70 1bj1 n ARG 61 Cb 0.07 -1.57 -0.07 0.00 -1.05 0.00 0.00 32.46 29.83 1bj1 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1bj1 s PHE 62 N -3.05 3.40 0.02 2.89 0.08 -0.79 -1.22 117.98 119.30 1bj1 s PHE 62 Ca 0.09 0.58 -0.08 0.00 0.12 0.00 0.00 56.93 57.64 1bj1 s PHE 62 Cb 0.12 -2.45 0.00 0.00 -0.57 0.00 0.00 43.02 40.12 1bj1 s PHE 62 CO 0.38 0.07 0.16 -1.54 -0.10 0.00 0.00 175.22 174.19 1bj1 s SER 63 N 0.88 0.05 0.06 1.36 1.04 -0.52 -4.98 113.70 111.59 1bj1 s SER 63 Ca 0.18 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.34 1bj1 s SER 63 Cb -0.14 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1bj1 s SER 63 CO 0.07 -0.48 -0.16 -0.83 0.98 0.00 0.00 173.24 172.81 1bj1 s GLY 64 N -1.83 0.92 0.23 7.32 0.00 -1.26 -0.74 107.32 111.97 1bj1 s GLY 64 Ca -0.09 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.65 1bj1 s GLY 64 CO -0.02 -0.96 0.22 -1.35 0.00 0.00 0.00 173.10 170.99 1bj1 s SER 65 N -1.44 0.39 0.00 1.64 1.04 -0.59 -4.29 113.70 110.45 1bj1 s SER 65 Ca 0.02 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1bj1 s SER 65 Cb -0.09 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1bj1 s SER 65 CO 0.02 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1bj1 n GLY 66 N -0.36 0.94 0.00 7.32 0.00 -1.26 -1.31 105.19 110.52 1bj1 n GLY 66 Ca 0.02 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.60 -4.93 113.62 113.11 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 -0.05 1.92 0.00 5.00 0.00 -0.31 -3.30 105.19 108.45 1bj1 n GLY 68 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.26 2.61 -2.24 -1.26 -1.26 114.28 107.87 1bj1 n THR 69 Ca 0.00 -0.39 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 1bj1 n THR 69 Cb 0.00 1.20 -0.17 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.06 1.93 0.11 3.42 1.01 -1.21 -0.45 116.67 121.42 1bj1 s ASP 70 Ca 0.00 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 52.98 1bj1 s ASP 70 Cb 0.00 -0.82 -0.04 0.00 1.01 0.00 0.00 42.92 43.06 1bj1 s ASP 70 CO 0.00 -0.04 -0.07 -0.36 0.21 0.00 0.00 175.17 174.92 1bj1 s PHE 71 N 1.14 0.95 -0.07 4.23 0.40 -0.06 -1.56 117.98 123.01 1bj1 s PHE 71 Ca -0.06 -0.90 -0.05 0.00 -0.60 0.00 0.00 56.93 55.32 1bj1 s PHE 71 Cb -0.14 -0.54 0.03 0.00 0.51 0.00 0.00 43.02 42.88 1bj1 s PHE 71 CO -0.02 -0.13 0.17 0.99 0.70 0.00 0.00 175.22 176.94 1bj1 s THR 72 N -3.59 -0.02 -0.12 0.64 2.01 -0.42 -1.51 115.64 112.62 1bj1 s THR 72 Ca 0.13 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 1bj1 s THR 72 Cb 0.05 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 1bj1 s THR 72 CO -0.04 0.03 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.70 1bj1 s LEU 73 N 0.62 3.49 -0.04 4.42 2.96 0.64 -1.54 118.68 129.24 1bj1 s LEU 73 Ca -0.04 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1bj1 s LEU 73 Cb -0.06 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1bj1 s LEU 73 CO -0.03 0.28 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.24 1bj1 s THR 74 N -0.28 1.25 -0.35 3.68 2.01 0.09 -0.11 115.64 121.93 1bj1 s THR 74 Ca 0.06 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 1bj1 s THR 74 Cb -0.12 -1.09 0.08 0.00 0.01 0.00 0.00 72.50 71.37 1bj1 s THR 74 CO 0.02 0.37 0.10 -0.63 -0.69 0.00 0.00 174.62 173.79 1bj1 s ILE 75 N 0.14 3.15 0.50 1.82 1.01 0.72 -1.44 121.20 127.10 1bj1 s ILE 75 Ca -0.05 -1.70 0.16 0.00 0.00 0.00 0.00 60.65 59.06 1bj1 s ILE 75 Cb -0.11 -2.98 0.24 0.00 0.01 0.00 0.00 42.46 39.61 1bj1 s ILE 75 CO 0.02 -0.39 2.10 0.77 0.00 0.00 0.00 174.94 177.44 1bj1 h SER 76 N 8.02 0.00 -1.82 3.58 4.64 -1.42 0.17 113.55 126.71 1bj1 h SER 76 Ca -0.17 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.96 1bj1 h SER 76 Cb 1.05 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.85 1bj1 h SER 76 CO 0.61 0.06 -0.53 -0.55 -0.87 0.00 0.00 176.83 175.55 1bj1 s SER 77 N -7.04 0.49 0.19 4.97 0.15 -1.23 -3.71 113.70 107.52 1bj1 s SER 77 Ca -0.05 -0.21 -0.31 0.00 0.70 0.00 0.00 55.95 56.08 1bj1 s SER 77 Cb 0.17 1.04 -0.10 0.00 -1.71 0.00 0.00 66.02 65.41 1bj1 s SER 77 CO 0.68 -0.34 1.57 -0.22 1.20 0.00 0.00 173.24 176.13 1bj1 s LEU 78 N 2.52 4.37 0.18 3.45 2.96 0.15 -4.65 118.68 127.67 1bj1 s LEU 78 Ca 0.11 2.69 0.07 0.00 -0.22 0.00 0.00 54.13 56.78 1bj1 s LEU 78 Cb -0.14 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1bj1 s LEU 78 CO -0.25 -0.83 0.00 -1.10 -1.32 0.00 0.00 176.35 172.85 1bj1 s GLN 79 N 0.77 2.41 0.47 1.98 -1.52 -1.26 -0.62 119.66 121.88 1bj1 s GLN 79 Ca 0.68 -1.13 0.16 0.00 -1.95 0.00 0.00 55.36 53.13 1bj1 s GLN 79 Cb -0.45 -2.35 1.14 0.00 -0.22 0.00 0.00 33.01 31.13 1bj1 s GLN 79 CO 0.35 0.45 2.01 -1.00 -0.25 0.00 0.00 175.29 176.84 1bj1 h PRO 80 N 2.62 0.26 0.00 2.91 0.13 -1.92 -1.08 132.00 134.92 1bj1 h PRO 80 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bj1 h PRO 80 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1bj1 h PRO 80 CO 0.58 0.17 0.00 -0.85 -0.23 0.00 0.00 178.00 177.67 1bj1 n GLU 81 N -4.46 0.74 -0.10 0.86 0.00 -1.19 -3.06 120.64 113.44 1bj1 n GLU 81 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.34 1bj1 n GLU 81 Cb 0.37 -1.46 0.34 0.00 0.00 0.00 0.00 31.44 30.70 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 -0.96 1.78 -4.69 -1.84 8.00 -0.41 -4.87 116.55 113.56 1bj1 n ASP 82 Ca 0.16 -1.75 -0.42 0.00 0.71 0.00 0.00 54.79 53.49 1bj1 n ASP 82 Cb 0.08 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.75 2.27 -0.79 1.24 5.36 -1.17 -4.87 117.98 118.27 1bj1 s PHE 83 Ca 0.32 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 1bj1 s PHE 83 Cb 0.17 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 1bj1 s PHE 83 CO 0.25 -4.16 0.00 0.00 -1.46 0.00 0.00 175.22 169.85 1bj1 n ALA 84 N 5.82 0.00 -3.19 11.12 0.00 -1.20 -4.82 120.51 128.23 1bj1 n ALA 84 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1bj1 n ALA 84 Cb 0.40 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.69 1.77 -0.12 0.00 2.01 -0.89 -1.50 115.64 114.22 1bj1 s THR 85 Ca 0.00 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 1bj1 s THR 85 Cb 0.00 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1bj1 s THR 85 CO 0.00 0.50 0.01 -0.31 -0.69 0.00 0.00 174.62 174.12 1bj1 s TYR 86 N 0.33 3.16 0.04 4.92 1.51 -0.33 -0.95 117.35 126.04 1bj1 s TYR 86 Ca -0.15 0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.05 1bj1 s TYR 86 Cb -0.16 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1bj1 s TYR 86 CO 0.06 0.30 -0.19 0.71 -1.11 0.00 0.00 175.55 175.33 1bj1 s TYR 87 N -0.35 1.64 0.14 2.71 2.02 -0.55 -1.60 117.35 121.37 1bj1 s TYR 87 Ca 0.07 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.46 1bj1 s TYR 87 Cb -0.12 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 1bj1 s TYR 87 CO 0.02 0.08 0.05 0.00 -1.57 0.00 0.00 175.55 174.13 1bj1 s GLN 89 N -2.80 0.17 -0.07 0.00 0.74 -0.41 -0.85 119.66 116.44 1bj1 s GLN 89 Ca 0.28 0.40 -0.06 0.00 0.05 0.00 0.00 55.36 56.03 1bj1 s GLN 89 Cb -0.10 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.88 1bj1 s GLN 89 CO 0.20 -0.13 0.17 1.14 -0.55 0.00 0.00 175.29 176.13 1bj1 s GLN 90 N 0.91 3.46 -0.25 1.67 1.03 -0.76 -0.71 119.66 125.02 1bj1 s GLN 90 Ca -0.07 -0.18 0.13 0.00 0.04 0.00 0.00 55.36 55.28 1bj1 s GLN 90 Cb -0.08 -3.15 0.46 0.00 0.03 0.00 0.00 33.01 30.27 1bj1 s GLN 90 CO -0.05 0.73 1.17 2.48 -2.54 0.00 0.00 175.29 177.08 1bj1 n TYR 91 N 1.53 1.76 0.01 9.60 4.11 -0.56 -3.59 117.16 130.01 1bj1 n TYR 91 Ca -0.16 -1.97 -0.19 0.00 -0.00 0.00 0.00 57.90 55.59 1bj1 n TYR 91 Cb 0.54 -0.28 -0.14 0.00 -0.00 0.00 0.00 39.34 39.45 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 2.03 0.31 -3.83 9.48 0.87 -1.86 -3.48 113.55 117.07 1bj1 h SER 92 Ca 0.14 -0.93 -0.21 0.00 -1.23 0.00 0.00 61.79 59.56 1bj1 h SER 92 Cb 1.42 -0.10 -0.27 0.00 -0.44 0.00 0.00 62.40 63.01 1bj1 h SER 92 CO 0.45 1.32 -0.65 0.42 -0.53 0.00 0.00 176.83 177.84 1bj1 s THR 93 N -2.38 0.01 0.33 2.23 -4.23 -1.26 -5.15 115.64 105.20 1bj1 s THR 93 Ca -0.16 -0.05 -0.27 0.00 -1.18 0.00 0.00 61.69 60.02 1bj1 s THR 93 Cb 0.00 -0.11 -0.09 0.00 1.34 0.00 0.00 72.50 73.64 1bj1 s THR 93 CO 0.78 -0.03 1.09 0.68 -0.54 0.00 0.00 174.62 176.60 1bj1 s VAL 94 N -0.06 3.51 0.40 2.29 -7.23 -1.26 -4.02 120.40 114.02 1bj1 s VAL 94 Ca -0.01 1.37 -0.23 0.00 -1.81 0.00 0.00 61.98 61.30 1bj1 s VAL 94 Cb -0.01 -3.81 -0.10 0.00 0.56 0.00 0.00 36.38 33.02 1bj1 s VAL 94 CO 0.00 0.22 1.00 -2.16 -0.31 0.00 0.00 175.10 173.84 1bj1 s PRO 95 N -1.88 4.23 0.43 4.82 0.04 -1.26 -4.78 135.00 136.60 1bj1 s PRO 95 Ca 0.50 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 1bj1 s PRO 95 Cb -0.29 -2.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.73 1bj1 s PRO 95 CO 0.37 -0.05 1.38 -1.58 0.04 0.00 0.00 177.00 177.15 1bj1 s TRP 96 N -1.84 2.61 0.03 0.56 0.23 -1.26 -4.71 118.94 114.57 1bj1 s TRP 96 Ca 0.58 1.32 0.02 0.00 -2.03 0.00 0.00 56.10 56.00 1bj1 s TRP 96 Cb -0.17 -3.82 -0.02 0.00 0.03 0.00 0.00 33.47 29.50 1bj1 s TRP 96 CO 0.22 -2.58 -0.06 0.95 0.96 0.00 0.00 176.95 176.43 1bj1 s THR 97 N -1.23 0.44 0.33 2.01 -4.23 -1.24 -5.00 115.64 106.73 1bj1 s THR 97 Ca 0.59 -0.87 0.08 0.00 -1.18 0.00 0.00 61.69 60.31 1bj1 s THR 97 Cb -0.41 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 1bj1 s THR 97 CO 0.53 -0.30 0.14 -0.36 -0.54 0.00 0.00 174.62 174.10 1bj1 s PHE 98 N -1.12 2.73 0.77 3.99 0.40 -1.26 -1.83 117.98 121.65 1bj1 s PHE 98 Ca -0.08 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 55.81 1bj1 s PHE 98 Cb -0.08 -1.61 0.10 0.00 0.51 0.00 0.00 43.02 41.94 1bj1 s PHE 98 CO 0.00 0.36 1.09 0.20 0.70 0.00 0.00 175.22 177.57 1bj1 s GLY 99 N -3.84 1.70 0.00 4.36 0.00 -0.03 -4.51 107.32 105.00 1bj1 s GLY 99 Ca 0.37 -1.02 0.32 0.00 0.00 0.00 0.00 44.72 44.39 1bj1 s GLY 99 CO 0.23 -0.52 2.18 0.61 0.00 0.00 0.00 173.10 175.60 1bj1 n GLN 100 N -3.12 0.87 0.00 2.90 -0.00 -1.26 -4.70 117.38 112.07 1bj1 n GLN 100 Ca 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 1bj1 n GLN 100 Cb 0.60 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.34 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 1.07 -0.05 2.89 2.61 0.00 -1.26 -5.03 105.19 105.42 1bj1 n GLY 101 Ca 0.22 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.93 0.91 -0.38 2.61 2.01 -0.62 -4.64 115.64 112.60 1bj1 s THR 102 Ca 0.00 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 1bj1 s THR 102 Cb 0.00 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.57 1bj1 s THR 102 CO 0.00 0.34 0.58 -0.75 -0.69 0.00 0.00 174.62 174.11 1bj1 s LYS 103 N 1.65 3.53 -0.32 4.92 2.20 -0.35 -1.19 119.74 130.18 1bj1 s LYS 103 Ca 0.03 -0.17 -0.16 0.00 -0.36 0.00 0.00 55.97 55.31 1bj1 s LYS 103 Cb -0.13 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.33 1bj1 s LYS 103 CO -0.07 -0.77 0.42 0.08 -0.36 0.00 0.00 175.35 174.65 1bj1 s VAL 104 N 2.59 5.12 0.05 4.02 1.01 -0.56 -1.57 120.40 131.05 1bj1 s VAL 104 Ca 0.21 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.52 1bj1 s VAL 104 Cb -0.15 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1bj1 s VAL 104 CO 0.15 -0.06 0.03 -1.61 0.00 0.00 0.00 175.10 173.61 1bj1 s GLU 105 N 2.16 2.76 -0.22 2.72 8.01 -0.14 -3.27 118.70 130.72 1bj1 s GLU 105 Ca 0.15 -0.69 -0.10 0.00 0.01 0.00 0.00 54.97 54.34 1bj1 s GLU 105 Cb -0.16 -2.66 -0.05 0.00 -4.31 0.00 0.00 34.13 26.95 1bj1 s GLU 105 CO 0.12 0.59 0.15 0.42 0.01 0.00 0.00 175.26 176.54 1bj1 s ILE 106 N -1.24 5.38 -0.25 -1.63 1.01 -1.26 -1.33 121.20 121.88 1bj1 s ILE 106 Ca 0.24 0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.90 1bj1 s ILE 106 Cb -0.12 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1bj1 s ILE 106 CO 0.16 0.38 0.49 -0.75 0.00 0.00 0.00 174.94 175.22 1bj1 s LYS 107 N 0.79 4.08 0.14 2.79 2.20 0.22 -4.84 119.74 125.13 1bj1 s LYS 107 Ca 0.08 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 56.00 1bj1 s LYS 107 Cb -0.13 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1bj1 s LYS 107 CO 0.02 -0.30 0.08 2.89 -0.36 0.00 0.00 175.35 177.68 1bj1 n ARG 108 N 5.35 0.53 -1.67 4.03 -4.01 -1.26 -4.29 116.66 115.34 1bj1 n ARG 108 Ca -0.05 -1.29 -0.32 0.00 -1.04 0.00 0.00 57.85 55.15 1bj1 n ARG 108 Cb 0.50 0.85 0.05 0.00 -3.04 0.00 0.00 32.46 30.82 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 -2.29 3.52 0.42 8.89 -4.23 -1.26 -4.95 115.64 115.75 1bj1 s THR 109 Ca 0.11 0.62 -0.26 0.00 -1.18 0.00 0.00 61.69 60.98 1bj1 s THR 109 Cb 0.01 -3.17 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 1bj1 s THR 109 CO 0.08 -0.52 1.33 -0.69 -0.54 0.00 0.00 174.62 174.27 1bj1 s VAL 110 N -2.62 2.50 -0.05 2.29 1.01 -1.26 -4.80 120.40 117.47 1bj1 s VAL 110 Ca 0.63 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 1bj1 s VAL 110 Cb -0.18 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1bj1 s VAL 110 CO 0.46 0.06 0.03 0.00 0.00 0.00 0.00 175.10 175.65 1bj1 s ALA 111 N -1.25 0.45 0.49 5.51 0.00 0.34 -4.92 121.76 122.37 1bj1 s ALA 111 Ca 0.58 0.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 1bj1 s ALA 111 Cb -0.39 -0.65 -0.07 0.00 0.00 0.00 0.00 23.12 22.01 1bj1 s ALA 111 CO 0.50 -0.43 1.09 0.00 0.00 0.00 0.00 175.76 176.92 1bj1 s ALA 112 N 1.96 2.85 0.47 0.00 0.00 -1.26 -1.62 121.76 124.15 1bj1 s ALA 112 Ca 0.03 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 1bj1 s ALA 112 Cb -0.12 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 1bj1 s ALA 112 CO -0.04 -0.50 0.86 -1.25 0.00 0.00 0.00 175.76 174.83 1bj1 s PRO 113 N -3.10 3.78 -0.19 0.00 0.04 -1.26 -4.66 135.00 129.61 1bj1 s PRO 113 Ca 0.68 0.60 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 1bj1 s PRO 113 Cb -0.21 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1bj1 s PRO 113 CO 0.25 -0.18 0.34 -1.12 0.04 0.00 0.00 177.00 176.33 1bj1 s SER 114 N -3.34 6.40 -0.10 6.66 0.01 -0.95 -4.86 113.70 117.52 1bj1 s SER 114 Ca 0.53 0.46 -0.02 0.00 1.31 0.00 0.00 55.95 58.24 1bj1 s SER 114 Cb -0.10 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1bj1 s SER 114 CO 0.35 -0.00 -0.02 -0.69 0.41 0.00 0.00 173.24 173.29 1bj1 s VAL 115 N 1.02 4.10 -0.00 3.43 1.01 -1.26 -1.40 120.40 127.29 1bj1 s VAL 115 Ca 0.17 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1bj1 s VAL 115 Cb -0.14 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1bj1 s VAL 115 CO 0.06 0.58 -0.03 -0.36 0.00 0.00 0.00 175.10 175.35 1bj1 s PHE 116 N -0.58 0.32 -0.00 5.22 0.40 -0.49 -5.00 117.98 117.85 1bj1 s PHE 116 Ca 0.09 -0.06 0.08 0.00 -0.60 0.00 0.00 56.93 56.45 1bj1 s PHE 116 Cb -0.12 -0.22 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 1bj1 s PHE 116 CO 0.02 -0.01 -0.26 -1.50 0.70 0.00 0.00 175.22 174.17 1bj1 s ILE 117 N -0.02 2.05 -0.08 0.64 2.07 -1.26 0.01 121.20 124.62 1bj1 s ILE 117 Ca 0.01 -1.18 0.02 0.00 -1.41 0.00 0.00 60.65 58.08 1bj1 s ILE 117 Cb -0.02 -1.72 0.02 0.00 0.13 0.00 0.00 42.46 40.87 1bj1 s ILE 117 CO -0.00 0.51 -0.11 -0.36 -1.91 0.00 0.00 174.94 173.07 1bj1 s PHE 118 N -0.66 1.46 0.86 3.50 0.08 0.80 -5.00 117.98 119.02 1bj1 s PHE 118 Ca 0.10 -0.59 -0.12 0.00 0.12 0.00 0.00 56.93 56.44 1bj1 s PHE 118 Cb -0.10 -1.11 0.10 0.00 -0.57 0.00 0.00 43.02 41.35 1bj1 s PHE 118 CO -0.00 -0.34 1.13 -2.14 -0.10 0.00 0.00 175.22 173.77 1bj1 s PRO 119 N 0.93 1.60 0.49 0.24 0.02 -1.26 -1.66 135.00 135.36 1bj1 s PRO 119 Ca -0.10 0.34 -0.20 0.00 0.02 0.00 0.00 61.00 61.07 1bj1 s PRO 119 Cb -0.15 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 1bj1 s PRO 119 CO 0.01 -1.89 1.03 -1.25 -0.33 0.00 0.00 177.00 174.57 1bj1 s PRO 120 N -5.31 3.80 0.72 5.54 0.04 -1.23 -4.80 135.00 133.77 1bj1 s PRO 120 Ca 0.62 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 1bj1 s PRO 120 Cb -0.14 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1bj1 s PRO 120 CO 0.53 -0.42 1.08 -1.54 0.04 0.00 0.00 177.00 176.68 1bj1 s SER 121 N -2.09 5.22 0.39 6.66 1.04 -1.26 -4.94 113.70 118.71 1bj1 s SER 121 Ca 0.66 1.32 0.20 0.00 0.48 0.00 0.00 55.95 58.61 1bj1 s SER 121 Cb -0.15 -2.14 0.65 0.00 0.10 0.00 0.00 66.02 64.48 1bj1 s SER 121 CO 0.21 -1.51 1.71 0.44 0.98 0.00 0.00 173.24 175.07 1bj1 h ASP 122 N -0.77 0.00 -0.47 7.02 3.32 -2.00 -2.36 116.42 121.17 1bj1 h ASP 122 Ca -0.45 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 1bj1 h ASP 122 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1bj1 h ASP 122 CO 0.61 0.32 -0.14 -0.08 -1.72 0.00 0.00 179.24 178.23 1bj1 h GLU 123 N 0.00 0.93 -0.13 3.56 4.81 -2.00 -2.89 114.58 118.85 1bj1 h GLU 123 Ca -0.00 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 1bj1 h GLU 123 Cb 0.93 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 1bj1 h GLU 123 CO 0.04 1.03 -0.12 0.37 -0.73 0.00 0.00 179.01 179.60 1bj1 h GLN 124 N 0.78 0.32 -0.96 1.92 4.15 -1.85 -3.21 115.11 116.25 1bj1 h GLN 124 Ca 0.12 -0.16 0.20 0.00 0.77 0.00 0.00 58.65 59.58 1bj1 h GLN 124 Cb 0.70 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.28 1bj1 h GLN 124 CO 0.05 0.70 0.55 -0.07 -1.93 0.00 0.00 178.83 178.13 1bj1 h LEU 125 N -0.06 0.65 -1.90 -2.39 4.07 -1.41 0.87 115.31 115.13 1bj1 h LEU 125 Ca 0.02 0.12 0.16 0.00 0.08 0.00 0.00 57.88 58.26 1bj1 h LEU 125 Cb 0.64 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 1bj1 h LEU 125 CO 0.03 0.18 0.43 0.11 -1.08 0.00 0.00 178.44 178.10 1bj1 h LYS 126 N 0.64 0.10 0.00 1.13 1.57 -1.51 0.27 116.57 118.76 1bj1 h LYS 126 Ca 0.58 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 1bj1 h LYS 126 Cb 0.98 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1bj1 h LYS 126 CO -0.43 0.07 0.00 -1.13 -0.57 0.00 0.00 179.45 177.39 1bj1 n SER 127 N -4.40 0.65 0.00 0.86 3.41 0.30 -4.92 113.62 109.52 1bj1 n SER 127 Ca 0.11 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1bj1 n SER 127 Cb 0.61 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1bj1 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bj1 n GLY 128 N 0.96 0.65 3.29 5.00 0.00 0.93 -5.08 105.19 110.94 1bj1 n GLY 128 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 1bj1 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bj1 s THR 129 N -2.00 1.31 -0.04 2.61 -4.23 -1.26 -1.62 115.64 110.41 1bj1 s THR 129 Ca 0.00 -2.10 -0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1bj1 s THR 129 Cb 0.00 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.89 1bj1 s THR 129 CO 0.00 -0.65 -0.00 0.00 -0.54 0.00 0.00 174.62 173.43 1bj1 s ALA 130 N -3.24 0.46 -0.17 3.99 0.00 0.04 -3.61 121.76 119.23 1bj1 s ALA 130 Ca 0.20 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1bj1 s ALA 130 Cb 0.02 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 1bj1 s ALA 130 CO 0.03 -0.17 -0.12 -1.12 0.00 0.00 0.00 175.76 174.38 1bj1 s SER 131 N 1.28 3.88 -0.17 0.00 0.01 -1.26 -0.79 113.70 116.64 1bj1 s SER 131 Ca -0.06 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.73 1bj1 s SER 131 Cb -0.13 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1bj1 s SER 131 CO -0.02 0.07 -0.02 -0.69 0.41 0.00 0.00 173.24 172.99 1bj1 s VAL 132 N 0.92 3.98 0.01 3.43 1.01 -0.26 -3.47 120.40 126.02 1bj1 s VAL 132 Ca -0.03 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1bj1 s VAL 132 Cb -0.15 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1bj1 s VAL 132 CO -0.01 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 174.80 1bj1 s VAL 133 N 0.55 3.61 -0.09 2.92 1.01 -0.66 -0.99 120.40 126.75 1bj1 s VAL 133 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1bj1 s VAL 133 Cb -0.14 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1bj1 s VAL 133 CO 0.02 0.37 -0.11 0.00 0.00 0.00 0.00 175.10 175.39 1bj1 s LEU 135 N 1.15 2.84 -0.22 0.00 2.96 0.10 -1.81 118.68 123.70 1bj1 s LEU 135 Ca -0.05 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1bj1 s LEU 135 Cb -0.14 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 44.98 1bj1 s LEU 135 CO -0.02 0.28 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.38 1bj1 s LEU 136 N -0.36 2.83 -0.12 -0.68 1.02 -0.34 -1.40 118.68 119.63 1bj1 s LEU 136 Ca 0.04 -1.05 -0.01 0.00 0.02 0.00 0.00 54.13 53.13 1bj1 s LEU 136 Cb -0.12 -1.51 -0.02 0.00 0.02 0.00 0.00 46.19 44.55 1bj1 s LEU 136 CO 0.02 -0.10 -0.09 0.21 0.02 0.00 0.00 176.35 176.41 1bj1 s ASN 137 N 1.19 4.38 -0.69 2.29 2.47 -0.50 -0.65 114.94 123.44 1bj1 s ASN 137 Ca -0.03 -0.20 -0.08 0.00 0.42 0.00 0.00 52.86 52.98 1bj1 s ASN 137 Cb -0.17 -1.55 0.01 0.00 -1.45 0.00 0.00 41.25 38.10 1bj1 s ASN 137 CO -0.09 0.21 0.65 0.59 -3.72 0.00 0.00 177.10 174.74 1bj1 n ASN 138 N 3.23 -6.47 -4.43 -4.21 3.02 -0.59 -2.23 115.26 103.60 1bj1 n ASN 138 Ca -0.18 -0.31 -0.21 0.00 -0.03 0.00 0.00 54.58 53.85 1bj1 n ASN 138 Cb 0.53 -3.54 -0.11 0.00 -0.61 0.00 0.00 39.78 36.05 1bj1 n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1bj1 s PHE 139 N -2.73 1.89 -0.28 3.10 -0.71 0.64 -4.62 117.98 115.27 1bj1 s PHE 139 Ca 0.09 -0.98 -0.20 0.00 -1.04 0.00 0.00 56.93 54.80 1bj1 s PHE 139 Cb -0.02 -1.21 0.11 0.00 -1.21 0.00 0.00 43.02 40.69 1bj1 s PHE 139 CO 0.82 -0.03 0.86 -0.47 -1.34 0.00 0.00 175.22 175.06 1bj1 s TYR 140 N -3.35 -0.73 1.03 3.49 6.14 -0.64 -1.08 117.35 122.21 1bj1 s TYR 140 Ca 0.36 1.58 -0.15 0.00 0.64 0.00 0.00 57.07 59.51 1bj1 s TYR 140 Cb 0.08 0.42 0.20 0.00 0.42 0.00 0.00 41.96 43.09 1bj1 s TYR 140 CO 0.15 -0.36 1.14 -1.25 0.64 0.00 0.00 175.55 175.87 1bj1 s PRO 141 N 0.98 0.18 0.54 4.97 0.04 -1.26 -0.51 135.00 139.95 1bj1 s PRO 141 Ca -0.05 0.15 0.21 0.00 0.04 0.00 0.00 61.00 61.35 1bj1 s PRO 141 Cb -0.05 -1.74 1.43 0.00 0.04 0.00 0.00 34.50 34.18 1bj1 s PRO 141 CO -0.11 -2.82 2.14 -0.09 0.04 0.00 0.00 177.00 176.16 1bj1 h ARG 142 N -1.95 0.00 -6.42 4.56 2.43 -1.98 -3.43 114.38 107.59 1bj1 h ARG 142 Ca -0.49 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.14 1bj1 h ARG 142 Cb 1.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1bj1 h ARG 142 CO 0.50 0.00 0.71 -1.83 -1.51 0.00 0.00 179.97 177.83 1bj1 s GLU 143 N -4.94 4.35 0.07 0.20 1.03 -1.26 -5.00 118.70 113.15 1bj1 s GLU 143 Ca -0.05 1.86 -0.20 0.00 0.03 0.00 0.00 54.97 56.61 1bj1 s GLU 143 Cb 0.17 -3.45 0.05 0.00 -0.80 0.00 0.00 34.13 30.09 1bj1 s GLU 143 CO 0.65 -0.43 0.48 0.00 -1.33 0.00 0.00 175.26 174.62 1bj1 s ALA 144 N 1.77 -1.20 -0.10 -0.84 0.00 -1.26 -4.63 121.76 115.50 1bj1 s ALA 144 Ca 0.61 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1bj1 s ALA 144 Cb -0.30 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1bj1 s ALA 144 CO 0.27 -0.55 -0.17 0.21 0.00 0.00 0.00 175.76 175.52 1bj1 s LYS 145 N -2.86 2.38 -0.11 0.00 2.20 -0.60 -4.99 119.74 115.76 1bj1 s LYS 145 Ca -0.03 -0.64 0.03 0.00 -0.36 0.00 0.00 55.97 54.97 1bj1 s LYS 145 Cb -0.00 -1.93 -0.00 0.00 -1.51 0.00 0.00 37.83 34.39 1bj1 s LYS 145 CO -0.05 0.03 -0.22 0.08 -0.36 0.00 0.00 175.35 174.83 1bj1 s VAL 146 N 0.72 2.23 -0.09 4.02 1.01 -1.26 -1.28 120.40 125.74 1bj1 s VAL 146 Ca -0.12 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1bj1 s VAL 146 Cb -0.16 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1bj1 s VAL 146 CO 0.03 0.55 -0.19 -1.58 0.00 0.00 0.00 175.10 173.90 1bj1 s GLN 147 N 0.44 2.53 -0.12 2.72 0.74 -0.52 -4.97 119.66 120.47 1bj1 s GLN 147 Ca -0.15 -0.70 -0.06 0.00 0.05 0.00 0.00 55.36 54.50 1bj1 s GLN 147 Cb -0.17 -1.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.92 1bj1 s GLN 147 CO 0.06 0.09 0.11 -1.58 -0.55 0.00 0.00 175.29 173.43 1bj1 s TRP 148 N 0.55 3.51 -0.00 1.67 0.52 -1.26 -0.83 118.94 123.09 1bj1 s TRP 148 Ca -0.15 0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.45 1bj1 s TRP 148 Cb -0.17 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.22 1bj1 s TRP 148 CO 0.05 0.66 -0.08 0.15 0.02 0.00 0.00 176.95 177.75 1bj1 s LYS 149 N -0.91 0.65 -0.23 4.98 1.02 -0.59 -1.05 119.74 123.62 1bj1 s LYS 149 Ca 0.14 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 55.80 1bj1 s LYS 149 Cb -0.12 -0.62 0.07 0.00 -0.52 0.00 0.00 37.83 36.63 1bj1 s LYS 149 CO 0.03 0.17 0.02 0.08 -0.92 0.00 0.00 175.35 174.73 1bj1 s VAL 150 N -0.26 0.91 -1.47 3.17 1.01 -0.86 -1.90 120.40 121.01 1bj1 s VAL 150 Ca 0.03 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1bj1 s VAL 150 Cb -0.04 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 35.01 1bj1 s VAL 150 CO -0.00 -0.25 1.01 0.47 0.00 0.00 0.00 175.10 176.32 1bj1 n ASP 151 N 4.89 -5.37 0.00 3.32 8.00 0.14 -1.96 116.55 125.57 1bj1 n ASP 151 Ca -0.09 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1bj1 n ASP 151 Cb 0.45 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 1bj1 n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1bj1 n ASN 152 N -2.85 -2.33 -4.59 -2.24 3.02 -1.26 -5.00 115.26 100.01 1bj1 n ASN 152 Ca 0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 1bj1 n ASN 152 Cb 0.54 -1.33 -0.08 0.00 -0.61 0.00 0.00 39.78 38.30 1bj1 n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bj1 s ALA 153 N -2.17 3.54 0.20 5.41 0.00 -0.83 -5.02 121.76 122.90 1bj1 s ALA 153 Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 50.86 1bj1 s ALA 153 Cb 0.00 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.10 1bj1 s ALA 153 CO 0.00 -0.92 1.56 -1.17 0.00 0.00 0.00 175.76 175.24 1bj1 s LEU 154 N 2.32 4.37 -0.07 0.00 2.96 -1.26 -2.03 118.68 124.97 1bj1 s LEU 154 Ca 0.20 2.69 -0.16 0.00 -0.22 0.00 0.00 54.13 56.64 1bj1 s LEU 154 Cb -0.16 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 1bj1 s LEU 154 CO 0.11 -0.83 0.41 -1.10 -1.32 0.00 0.00 176.35 173.62 1bj1 s GLN 155 N 0.69 4.11 -0.08 1.98 -1.52 -0.22 -4.97 119.66 119.65 1bj1 s GLN 155 Ca 0.68 0.37 -0.03 0.00 -1.95 0.00 0.00 55.36 54.43 1bj1 s GLN 155 Cb -0.44 -3.33 0.05 0.00 -0.22 0.00 0.00 33.01 29.07 1bj1 s GLN 155 CO 0.35 0.44 0.16 0.45 -0.25 0.00 0.00 175.29 176.44 1bj1 s SER 156 N -0.26 0.60 0.00 5.90 0.15 -1.26 -4.58 113.70 114.25 1bj1 s SER 156 Ca 0.23 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1bj1 s SER 156 Cb -0.16 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1bj1 s SER 156 CO 0.11 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1bj1 n GLY 157 N 5.12 0.58 0.82 9.45 0.00 -1.26 -4.95 105.19 114.96 1bj1 n GLY 157 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 2.21 -4.05 1.61 0.23 -1.26 -5.02 115.26 108.98 1bj1 n ASN 158 Ca 0.00 -3.74 -0.10 0.00 -0.53 0.00 0.00 54.58 50.21 1bj1 n ASN 158 Cb 0.00 -0.57 -0.11 0.00 -2.08 0.00 0.00 39.78 37.02 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 -2.83 0.56 0.01 0.53 1.04 -1.26 -2.00 113.70 109.74 1bj1 s SER 159 Ca 0.41 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1bj1 s SER 159 Cb 0.38 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 1bj1 s SER 159 CO -0.02 -0.36 -0.06 -1.10 0.98 0.00 0.00 173.24 172.67 1bj1 s GLN 160 N -2.32 0.47 0.29 4.02 -0.21 -0.80 -4.95 119.66 116.16 1bj1 s GLN 160 Ca -0.06 -0.34 0.10 0.00 0.02 0.00 0.00 55.36 55.08 1bj1 s GLN 160 Cb -0.04 -0.40 -0.05 0.00 1.00 0.00 0.00 33.01 33.52 1bj1 s GLN 160 CO -0.03 0.10 -0.01 -1.21 -2.12 0.00 0.00 175.29 172.02 1bj1 s GLU 161 N -0.49 2.17 -0.18 2.91 2.02 -1.26 -1.73 118.70 122.14 1bj1 s GLU 161 Ca -0.01 -1.55 -0.11 0.00 0.02 0.00 0.00 54.97 53.33 1bj1 s GLU 161 Cb -0.04 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 32.19 1bj1 s GLU 161 CO -0.00 0.29 0.43 0.45 0.02 0.00 0.00 175.26 176.45 1bj1 s SER 162 N -3.68 -0.54 -0.00 -0.19 0.15 -0.83 -5.00 113.70 103.62 1bj1 s SER 162 Ca 0.33 0.93 0.08 0.00 0.70 0.00 0.00 55.95 57.99 1bj1 s SER 162 Cb -0.04 0.83 -0.02 0.00 -1.71 0.00 0.00 66.02 65.07 1bj1 s SER 162 CO 0.19 -0.19 -0.25 -0.69 1.20 0.00 0.00 173.24 173.51 1bj1 s VAL 163 N 1.25 2.20 0.68 4.45 1.01 -1.26 -1.73 120.40 127.00 1bj1 s VAL 163 Ca -0.08 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.62 1bj1 s VAL 163 Cb -0.07 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1bj1 s VAL 163 CO -0.11 0.51 1.06 0.28 0.00 0.00 0.00 175.10 176.83 1bj1 s THR 164 N -0.69 4.03 0.58 3.92 -1.32 -0.32 -5.01 115.64 116.83 1bj1 s THR 164 Ca 0.11 0.69 -0.14 0.00 -1.21 0.00 0.00 61.69 61.13 1bj1 s THR 164 Cb -0.10 -3.41 -0.05 0.00 -1.51 0.00 0.00 72.50 67.43 1bj1 s THR 164 CO 0.00 -0.84 1.02 -0.70 -2.21 0.00 0.00 174.62 171.90 1bj1 s GLU 165 N -4.96 3.62 0.20 7.08 2.56 -1.26 -4.69 118.70 121.25 1bj1 s GLU 165 Ca 0.58 0.93 -0.32 0.00 0.00 0.00 0.00 54.97 56.16 1bj1 s GLU 165 Cb -0.14 -2.08 -0.12 0.00 2.00 0.00 0.00 34.13 33.78 1bj1 s GLU 165 CO 0.53 -0.55 1.69 0.94 -0.56 0.00 0.00 175.26 177.32 1bj1 n GLN 166 N -2.21 2.64 -1.98 4.30 7.27 -1.26 -4.84 117.38 121.30 1bj1 n GLN 166 Ca 0.07 0.95 -0.41 0.00 0.07 0.00 0.00 57.00 57.68 1bj1 n GLN 166 Cb 0.54 -2.78 -0.01 0.00 2.41 0.00 0.00 30.24 30.39 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 1.11 6.59 0.00 1.69 2.15 -0.50 -4.91 116.67 122.80 1bj1 s ASP 167 Ca 0.76 2.83 0.29 0.00 0.43 0.00 0.00 52.55 56.85 1bj1 s ASP 167 Cb -0.54 -2.65 1.19 0.00 -0.30 0.00 0.00 42.92 40.61 1bj1 s ASP 167 CO 0.34 -0.69 1.83 -1.54 -0.17 0.00 0.00 175.17 174.94 1bj1 n SER 168 N 0.87 0.63 -0.08 -0.34 3.41 -1.26 -1.62 113.62 115.23 1bj1 n SER 168 Ca 0.01 -0.75 -0.15 0.00 -0.26 0.00 0.00 58.87 57.72 1bj1 n SER 168 Cb 0.41 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.34 0.00 4.33 5.02 -1.26 -3.16 118.16 122.64 1bj1 n LYS 169 Ca 0.15 0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.63 1bj1 n LYS 169 Cb 0.28 -1.12 0.02 0.00 -0.02 0.00 0.00 35.03 34.19 1bj1 n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1bj1 n ASP 170 N -3.48 1.55 -1.04 4.39 5.68 -1.26 -4.94 116.55 117.46 1bj1 n ASP 170 Ca -0.29 -1.28 -0.14 0.00 -0.50 0.00 0.00 54.79 52.58 1bj1 n ASP 170 Cb 0.73 0.32 -0.06 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 0.08 -4.85 -5.00 -1.12 7.64 -0.64 -4.97 113.62 104.76 1bj1 n SER 171 Ca 0.06 0.33 -0.20 0.00 1.01 0.00 0.00 58.87 60.07 1bj1 n SER 171 Cb 0.27 -3.54 0.07 0.00 -1.01 0.00 0.00 64.21 60.00 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 -2.43 2.08 0.25 0.44 -4.23 -1.26 -4.62 115.64 105.88 1bj1 s THR 172 Ca 0.00 -0.96 0.06 0.00 -1.18 0.00 0.00 61.69 59.61 1bj1 s THR 172 Cb 0.00 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.66 1bj1 s THR 172 CO 0.00 0.00 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.71 1bj1 s TYR 173 N -2.74 1.80 0.02 3.99 2.02 -0.24 -1.41 117.35 120.80 1bj1 s TYR 173 Ca 0.63 -0.74 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1bj1 s TYR 173 Cb -0.05 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.48 1bj1 s TYR 173 CO 0.40 0.21 -0.01 -1.12 -1.57 0.00 0.00 175.55 173.45 1bj1 s SER 174 N -3.38 0.26 0.00 2.29 0.01 -1.26 -0.26 113.70 111.35 1bj1 s SER 174 Ca 0.28 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.96 1bj1 s SER 174 Cb 0.04 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.39 1bj1 s SER 174 CO 0.10 -0.36 0.04 -0.22 0.41 0.00 0.00 173.24 173.21 1bj1 s LEU 175 N -1.70 1.93 -0.03 2.44 0.20 0.17 -1.17 118.68 120.53 1bj1 s LEU 175 Ca -0.12 -0.23 0.04 0.00 0.69 0.00 0.00 54.13 54.51 1bj1 s LEU 175 Cb -0.07 0.27 -0.00 0.00 -0.43 0.00 0.00 46.19 45.96 1bj1 s LEU 175 CO -0.02 -0.23 -0.14 -0.94 -0.29 0.00 0.00 176.35 174.73 1bj1 s SER 176 N -0.96 1.74 -0.08 3.68 1.04 -0.71 -1.20 113.70 117.21 1bj1 s SER 176 Ca -0.11 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1bj1 s SER 176 Cb -0.06 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1bj1 s SER 176 CO -0.00 0.14 -0.20 -0.55 0.98 0.00 0.00 173.24 173.61 1bj1 s SER 177 N -0.06 2.56 -0.12 7.02 0.15 -0.75 -1.96 113.70 120.54 1bj1 s SER 177 Ca -0.00 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.22 1bj1 s SER 177 Cb -0.09 -1.10 0.01 0.00 -1.71 0.00 0.00 66.02 63.14 1bj1 s SER 177 CO 0.01 0.12 -0.20 -0.89 1.20 0.00 0.00 173.24 173.48 1bj1 s THR 178 N 0.38 1.89 -0.20 6.45 2.01 -0.70 -1.35 115.64 124.12 1bj1 s THR 178 Ca -0.15 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.85 1bj1 s THR 178 Cb -0.16 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 1bj1 s THR 178 CO 0.06 0.52 0.19 -0.22 -0.69 0.00 0.00 174.62 174.48 1bj1 s LEU 179 N 0.77 4.20 -0.15 4.42 2.96 -0.16 -1.90 118.68 128.81 1bj1 s LEU 179 Ca -0.09 0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1bj1 s LEU 179 Cb -0.16 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1bj1 s LEU 179 CO 0.00 0.13 0.00 -0.89 -1.32 0.00 0.00 176.35 174.27 1bj1 s THR 180 N 0.55 4.27 0.08 3.68 2.01 -0.84 -1.11 115.64 124.29 1bj1 s THR 180 Ca 0.11 -0.23 -0.03 0.00 0.31 0.00 0.00 61.69 61.85 1bj1 s THR 180 Cb -0.12 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1bj1 s THR 180 CO 0.01 0.51 0.04 -0.76 -0.69 0.00 0.00 174.62 173.72 1bj1 s LEU 181 N 0.10 2.10 0.48 4.42 1.02 0.02 -4.94 118.68 121.89 1bj1 s LEU 181 Ca 0.02 -0.98 -0.19 0.00 0.02 0.00 0.00 54.13 53.00 1bj1 s LEU 181 Cb -0.13 0.40 -0.09 0.00 0.02 0.00 0.00 46.19 46.39 1bj1 s LEU 181 CO 0.02 -0.66 0.98 -0.94 0.02 0.00 0.00 176.35 175.76 1bj1 s SER 182 N -2.94 6.70 0.19 2.29 1.04 -1.26 -0.78 113.70 118.94 1bj1 s SER 182 Ca 0.11 1.65 -0.11 0.00 0.48 0.00 0.00 55.95 58.07 1bj1 s SER 182 Cb 0.07 -2.53 0.19 0.00 0.10 0.00 0.00 66.02 63.85 1bj1 s SER 182 CO -0.07 -0.53 1.79 0.50 0.98 0.00 0.00 173.24 175.91 1bj1 h LYS 183 N 1.34 0.55 -0.38 4.02 3.64 -1.57 -0.29 116.57 123.88 1bj1 h LYS 183 Ca -0.48 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1bj1 h LYS 183 Cb 1.19 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 1bj1 h LYS 183 CO 0.61 0.37 -0.13 0.00 -2.27 0.00 0.00 179.45 178.02 1bj1 h ALA 184 N 1.31 0.19 -0.35 5.00 0.00 -1.92 -0.75 119.26 122.74 1bj1 h ALA 184 Ca 0.26 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 1bj1 h ALA 184 Cb 0.17 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1bj1 h ALA 184 CO -0.18 -0.50 -0.31 -0.44 0.00 0.00 0.00 179.25 177.83 1bj1 h ASP 185 N -0.05 0.80 -0.43 0.00 3.32 -1.81 -3.02 116.42 115.22 1bj1 h ASP 185 Ca 0.19 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1bj1 h ASP 185 Cb 0.34 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1bj1 h ASP 185 CO -0.42 1.05 0.29 0.22 -1.72 0.00 0.00 179.24 178.65 1bj1 h TYR 186 N 0.65 0.53 -0.21 4.55 3.20 -0.25 -1.99 116.97 123.45 1bj1 h TYR 186 Ca 0.07 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1bj1 h TYR 186 Cb 0.84 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1bj1 h TYR 186 CO 0.04 0.33 0.00 0.39 -1.64 0.00 0.00 178.16 177.29 1bj1 n GLU 187 N -4.47 1.58 0.00 1.82 1.02 -0.36 -3.54 120.64 116.68 1bj1 n GLU 187 Ca 0.04 -0.89 0.11 0.00 -0.02 0.00 0.00 57.16 56.39 1bj1 n GLU 187 Cb 0.07 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1bj1 n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bj1 n LYS 188 N 0.18 0.83 -4.31 3.49 5.02 -0.75 -4.99 118.16 117.64 1bj1 n LYS 188 Ca 0.11 -0.68 -0.16 0.00 -2.02 0.00 0.00 58.31 55.55 1bj1 n LYS 188 Cb 0.23 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 1bj1 n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1bj1 s HIS 189 N -2.64 1.50 -0.11 2.13 3.76 -1.23 -5.10 115.29 113.59 1bj1 s HIS 189 Ca 0.15 -0.72 -0.11 0.00 -0.15 0.00 0.00 55.06 54.23 1bj1 s HIS 189 Cb 0.17 -0.77 -0.05 0.00 1.11 0.00 0.00 32.58 33.05 1bj1 s HIS 189 CO 0.67 0.17 -0.24 1.17 -0.85 0.00 0.00 174.74 175.66 1bj1 n LYS 190 N -0.32 0.37 -3.00 1.40 4.81 -1.26 -4.73 118.16 115.43 1bj1 n LYS 190 Ca -0.08 0.15 -0.40 0.00 -0.87 0.00 0.00 58.31 57.10 1bj1 n LYS 190 Cb 0.61 -1.13 -0.05 0.00 0.02 0.00 0.00 35.03 34.48 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 -2.54 4.98 -0.10 3.15 1.01 -1.26 -0.58 120.40 125.06 1bj1 s VAL 191 Ca -0.21 1.46 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1bj1 s VAL 191 Cb 0.04 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1bj1 s VAL 191 CO 0.30 0.14 -0.17 -0.31 0.00 0.00 0.00 175.10 175.06 1bj1 s TYR 192 N 1.53 2.04 -0.02 5.22 1.51 -0.78 -0.69 117.35 126.16 1bj1 s TYR 192 Ca 0.36 -0.90 -0.08 0.00 -1.01 0.00 0.00 57.07 55.44 1bj1 s TYR 192 Cb -0.17 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1bj1 s TYR 192 CO 0.14 -0.43 0.17 0.00 -1.11 0.00 0.00 175.55 174.32 1bj1 s ALA 193 N 0.75 -0.41 -0.12 3.71 0.00 -0.80 -1.07 121.76 123.83 1bj1 s ALA 193 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.94 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 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 175.76 175.49 1bj1 s GLU 195 N 1.41 4.01 -0.06 0.00 2.12 -0.01 -2.16 118.70 124.00 1bj1 s GLU 195 Ca 0.01 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.04 1bj1 s GLU 195 Cb -0.13 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 1bj1 s GLU 195 CO -0.06 0.29 -0.09 0.08 -0.54 0.00 0.00 175.26 174.94 1bj1 s VAL 196 N 0.33 3.51 -0.12 3.70 1.01 0.50 -1.44 120.40 127.89 1bj1 s VAL 196 Ca 0.04 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1bj1 s VAL 196 Cb -0.12 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1bj1 s VAL 196 CO -0.00 0.60 -0.13 -0.89 0.00 0.00 0.00 175.10 174.68 1bj1 s THR 197 N -0.78 1.36 0.04 3.92 2.01 -0.40 -1.21 115.64 120.58 1bj1 s THR 197 Ca 0.12 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1bj1 s THR 197 Cb -0.11 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.13 1bj1 s THR 197 CO 0.01 0.42 0.23 -2.28 -0.69 0.00 0.00 174.62 172.31 1bj1 s HIS 198 N 1.28 0.01 0.54 4.92 2.46 -1.26 -1.55 115.29 121.68 1bj1 s HIS 198 Ca -0.01 -0.21 0.23 0.00 0.47 0.00 0.00 55.06 55.54 1bj1 s HIS 198 Cb -0.14 0.01 1.41 0.00 -0.13 0.00 0.00 32.58 33.73 1bj1 s HIS 198 CO -0.05 -0.46 2.06 0.37 -2.47 0.00 0.00 174.74 174.19 1bj1 h GLN 199 N 3.33 0.00 -0.01 2.88 4.15 -1.92 -0.95 115.11 122.59 1bj1 h GLN 199 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1bj1 h GLN 199 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1bj1 h GLN 199 CO 0.48 0.00 -0.07 0.41 -1.93 0.00 0.00 178.83 177.72 1bj1 n GLY 200 N -1.57 -0.30 3.47 2.39 0.00 -1.26 -4.76 105.19 103.16 1bj1 n GLY 200 Ca 0.04 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.15 3.95 0.57 0.99 1.02 -0.36 -4.53 118.68 118.16 1bj1 s LEU 201 Ca 0.35 -0.37 0.34 0.00 0.02 0.00 0.00 54.13 54.46 1bj1 s LEU 201 Cb 0.21 -2.01 1.66 0.00 0.02 0.00 0.00 46.19 46.07 1bj1 s LEU 201 CO 0.39 -0.14 2.11 0.77 0.02 0.00 0.00 176.35 179.51 1bj1 h SER 202 N 8.33 0.00 -4.92 2.29 4.64 -1.86 -3.43 113.55 118.60 1bj1 h SER 202 Ca -0.34 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.88 1bj1 h SER 202 Cb 1.16 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.05 1bj1 h SER 202 CO 0.60 0.06 -0.16 -0.44 -0.87 0.00 0.00 176.83 176.01 1bj1 s SER 203 N -5.76 -0.32 0.35 4.97 0.01 -1.26 -5.14 113.70 106.55 1bj1 s SER 203 Ca -0.02 0.28 -0.25 0.00 1.31 0.00 0.00 55.95 57.27 1bj1 s SER 203 Cb 0.12 0.40 -0.13 0.00 0.21 0.00 0.00 66.02 66.61 1bj1 s SER 203 CO 0.53 -0.47 0.79 -2.65 0.41 0.00 0.00 173.24 171.85 1bj1 n PRO 204 N 1.28 0.92 -4.39 12.44 -0.02 -1.26 -4.96 135.00 139.01 1bj1 n PRO 204 Ca -0.20 0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 1bj1 n PRO 204 Cb 0.56 -1.66 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.23 3.59 -0.07 -1.45 1.01 -0.35 -4.90 120.40 117.00 1bj1 s VAL 205 Ca 0.62 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1bj1 s VAL 205 Cb -0.67 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1bj1 s VAL 205 CO 0.58 0.48 -0.19 -0.89 0.00 0.00 0.00 175.10 175.09 1bj1 s THR 206 N 0.60 2.61 -0.02 3.92 2.01 -1.26 -0.37 115.64 123.13 1bj1 s THR 206 Ca -0.04 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.16 1bj1 s THR 206 Cb -0.15 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1bj1 s THR 206 CO 0.03 0.57 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.78 1bj1 s LYS 207 N -0.23 1.72 0.26 4.92 3.01 -0.92 -4.99 119.74 123.51 1bj1 s LYS 207 Ca -0.00 -0.74 -0.18 0.00 -1.01 0.00 0.00 55.97 54.04 1bj1 s LYS 207 Cb -0.13 -1.64 0.01 0.00 -1.01 0.00 0.00 37.83 35.06 1bj1 s LYS 207 CO 0.03 0.43 0.63 -1.54 0.51 0.00 0.00 175.35 175.41 1bj1 s SER 208 N -0.44 -0.21 0.01 2.83 1.04 -1.26 -1.48 113.70 114.19 1bj1 s SER 208 Ca 0.07 -0.70 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 1bj1 s SER 208 Cb -0.08 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1bj1 s SER 208 CO -0.00 -1.27 0.26 0.72 0.98 0.00 0.00 173.24 173.93 1bj1 s PHE 209 N -3.95 -0.09 -0.28 5.02 -0.12 -0.24 -5.00 117.98 113.33 1bj1 s PHE 209 Ca 0.15 0.06 -0.10 0.00 -0.05 0.00 0.00 56.93 56.98 1bj1 s PHE 209 Cb -0.04 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1bj1 s PHE 209 CO 0.07 -0.40 0.17 -0.80 -0.05 0.00 0.00 175.22 174.20 1bj1 s ASN 210 N -1.60 5.82 0.19 1.98 0.01 -1.26 -1.87 114.94 118.21 1bj1 s ASN 210 Ca -0.11 -0.08 -0.33 0.00 -0.71 0.00 0.00 52.86 51.64 1bj1 s ASN 210 Cb -0.04 -2.08 -0.14 0.00 0.41 0.00 0.00 41.25 39.40 1bj1 s ASN 210 CO 0.01 -0.06 1.47 -1.14 -1.51 0.00 0.00 177.10 175.87 1bj1 n ARG 211 N 5.03 2.00 0.00 -0.60 0.63 0.26 -2.02 116.66 121.96 1bj1 n ARG 211 Ca -0.14 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1bj1 n ARG 211 Cb 0.52 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 31.01 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 2.71 1.65 0.00 5.14 0.00 -1.26 -4.94 105.19 108.49 1bj1 n GLY 212 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1bj1 n GLY 212 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48