#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fj2 s ASN -5 N 0.00 6.19 0.54 4.31 3.84 -1.26 -4.93 114.94 123.62 3fj2 s ASN -5 Ca 0.00 -1.57 0.34 0.00 0.21 0.00 0.00 52.86 51.84 3fj2 s ASN -5 Cb 0.00 -2.24 1.41 0.00 -0.55 0.00 0.00 41.25 39.86 3fj2 s ASN -5 CO 0.00 -0.93 1.99 -0.07 -2.79 0.00 0.00 177.10 175.30 3fj2 h LEU -4 N 9.31 0.00 -0.87 3.21 3.38 -1.99 -0.09 115.31 128.26 3fj2 h LEU -4 Ca -0.30 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3fj2 h LEU -4 Cb 1.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 3fj2 h LEU -4 CO 1.04 0.00 0.52 0.22 0.09 0.00 0.00 178.44 180.31 3fj2 h TYR -3 N 0.00 0.95 0.02 1.13 5.03 -1.95 -0.57 116.97 121.58 3fj2 h TYR -3 Ca 0.00 0.03 -0.33 0.00 2.58 0.00 0.00 58.73 61.01 3fj2 h TYR -3 Cb 0.47 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 38.41 3fj2 h TYR -3 CO 0.00 0.41 -2.00 1.19 -1.32 0.00 0.00 178.16 176.43 3fj2 n PHE -2 N -4.69 0.70 0.11 -3.82 3.72 -0.75 -4.66 117.46 108.08 3fj2 n PHE -2 Ca 0.14 0.22 0.02 0.00 -0.05 0.00 0.00 57.45 57.78 3fj2 n PHE -2 Cb 0.27 -1.12 0.02 0.00 -0.94 0.00 0.00 39.48 37.71 3fj2 n PHE -2 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3fj2 n GLN -1 N -3.06 -0.22 0.00 -1.08 6.02 -0.12 -5.09 117.38 113.82 3fj2 n GLN -1 Ca -0.26 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.95 3fj2 n GLN -1 Cb 1.07 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 31.27 3fj2 n GLN -1 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fj2 n GLY 0 N 0.14 -3.16 1.46 1.08 0.00 -0.23 -4.93 105.19 99.57 3fj2 n GLY 0 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3fj2 n GLY 0 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fj2 n LYS 2 N -1.25 0.00 -4.23 1.61 5.02 -1.26 -4.93 118.16 113.11 3fj2 n LYS 2 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 3fj2 n LYS 2 Cb 0.00 -0.49 -0.11 0.00 -0.02 0.00 0.00 35.03 34.41 3fj2 n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3fj2 s LYS 3 N -0.96 1.01 -0.07 1.97 -0.14 0.77 -0.76 119.74 121.56 3fj2 s LYS 3 Ca 0.00 -1.29 0.05 0.00 -1.36 0.00 0.00 55.97 53.37 3fj2 s LYS 3 Cb 0.00 -0.76 -0.01 0.00 -1.68 0.00 0.00 37.83 35.38 3fj2 s LYS 3 CO 0.00 0.13 -0.23 0.08 -0.76 0.00 0.00 175.35 174.56 3fj2 s VAL 4 N -2.54 2.18 -0.13 3.17 1.01 -0.11 -1.70 120.40 122.28 3fj2 s VAL 4 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3fj2 s VAL 4 Cb -0.02 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3fj2 s VAL 4 CO 0.02 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.18 3fj2 s PHE 5 N -0.06 2.77 -0.16 5.22 0.08 0.06 -0.97 117.98 124.92 3fj2 s PHE 5 Ca -0.06 -0.76 0.01 0.00 0.12 0.00 0.00 56.93 56.24 3fj2 s PHE 5 Cb -0.15 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 3fj2 s PHE 5 CO 0.05 -0.29 -0.20 0.42 -0.10 0.00 0.00 175.22 175.11 3fj2 s ILE 6 N 0.43 2.19 -0.13 0.64 -1.09 -0.24 -1.46 121.20 121.55 3fj2 s ILE 6 Ca -0.11 -0.92 0.02 0.00 -2.23 0.00 0.00 60.65 57.41 3fj2 s ILE 6 Cb -0.16 -1.90 0.01 0.00 -1.58 0.00 0.00 42.46 38.83 3fj2 s ILE 6 CO 0.05 0.54 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.23 3fj2 s THR 7 N 1.02 1.75 0.18 2.92 2.01 -0.42 -0.14 115.64 122.95 3fj2 s THR 7 Ca -0.02 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.24 3fj2 s THR 7 Cb -0.15 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 3fj2 s THR 7 CO -0.06 0.49 0.20 0.42 -0.69 0.00 0.00 174.62 174.98 3fj2 s THR 8 N 0.96 4.74 -2.35 -0.82 -4.23 -1.26 0.01 115.64 112.69 3fj2 s THR 8 Ca -0.06 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3fj2 s THR 8 Cb -0.15 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3fj2 s THR 8 CO -0.03 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 3fj2 n GLY 9 N -0.60 -1.65 3.78 3.99 0.00 -1.07 -5.00 105.19 104.64 3fj2 n GLY 9 Ca -0.08 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 3fj2 n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fj2 s THR 10 N -2.48 3.51 0.29 2.61 -4.23 -1.26 -2.97 115.64 111.11 3fj2 s THR 10 Ca 0.00 0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 61.09 3fj2 s THR 10 Cb 0.00 -3.13 0.28 0.00 1.34 0.00 0.00 72.50 70.98 3fj2 s THR 10 CO 0.00 -0.55 1.90 -0.08 -0.54 0.00 0.00 174.62 175.36 3fj2 h GLU 11 N -0.46 1.05 -0.16 3.99 4.81 -1.96 -0.97 114.58 120.88 3fj2 h GLU 11 Ca -0.45 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 3fj2 h GLU 11 Cb 1.23 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3fj2 h GLU 11 CO 0.54 0.69 0.00 1.25 -0.73 0.00 0.00 179.01 180.77 3fj2 h HIS 12 N 1.08 0.31 -0.34 0.92 2.76 -1.99 0.10 115.15 117.99 3fj2 h HIS 12 Ca 0.40 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 3fj2 h HIS 12 Cb 0.18 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 3fj2 h HIS 12 CO -0.00 0.49 0.21 -0.92 -1.30 0.00 0.00 177.93 176.41 3fj2 h TYR 13 N 0.03 0.44 -0.00 5.26 3.20 -1.85 -1.88 116.97 122.17 3fj2 h TYR 13 Ca 0.05 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 3fj2 h TYR 13 Cb 0.37 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3fj2 h TYR 13 CO 0.03 0.30 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.23 3fj2 h LEU 14 N 0.44 0.00 -0.79 2.82 3.38 -1.05 0.08 115.31 120.21 3fj2 h LEU 14 Ca 0.12 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3fj2 h LEU 14 Cb -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3fj2 h LEU 14 CO -0.02 0.56 -0.26 0.03 0.09 0.00 0.00 178.44 178.84 3fj2 h ARG 15 N 0.00 0.63 -0.38 1.13 3.08 -0.78 -2.68 114.38 115.37 3fj2 h ARG 15 Ca -0.01 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 3fj2 h ARG 15 Cb 0.99 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 3fj2 h ARG 15 CO 0.07 0.83 0.15 1.96 -1.07 0.00 0.00 179.97 181.91 3fj2 h GLN 16 N 0.55 0.57 -1.43 0.04 4.20 -0.72 -1.95 115.11 116.37 3fj2 h GLN 16 Ca 0.07 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3fj2 h GLN 16 Cb 0.73 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3fj2 h GLN 16 CO 0.06 0.55 0.00 -0.11 -0.67 0.00 0.00 178.83 178.66 3fj2 n LEU 17 N -4.66 0.00 0.00 1.46 7.94 -0.04 -2.17 117.00 119.53 3fj2 n LEU 17 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3fj2 n LEU 17 Cb 0.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.09 3fj2 n LEU 17 CO 0.37 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.03 3fj2 n GLU 19 N 0.85 0.00 0.21 1.96 1.02 -0.74 -1.99 120.64 121.95 3fj2 n GLU 19 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3fj2 n GLU 19 Cb 0.00 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 31.73 3fj2 n GLU 19 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3fj2 h ASN 20 N 0.00 0.00 -0.40 1.62 2.35 -1.73 -3.16 115.58 114.26 3fj2 h ASN 20 Ca 0.00 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.46 3fj2 h ASN 20 Cb 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.16 3fj2 h ASN 20 CO 0.00 0.16 -0.56 -1.22 -1.65 0.00 0.00 177.43 174.16 3fj2 n TYR 21 N -3.19 1.44 -1.72 1.19 4.01 -0.84 -5.06 117.16 112.98 3fj2 n TYR 21 Ca 0.02 -1.88 -0.42 0.00 -0.16 0.00 0.00 57.90 55.46 3fj2 n TYR 21 Cb 0.51 -0.35 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3fj2 n TYR 21 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3fj2 n ILE 22 N -0.93 2.06 0.00 -0.72 3.06 -1.20 -2.59 119.36 119.04 3fj2 n ILE 22 Ca 0.33 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 3fj2 n ILE 22 Cb 0.85 -1.68 0.00 0.00 0.54 0.00 0.00 39.64 39.34 3fj2 n ILE 22 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3fj2 n GLY 23 N 0.68 3.04 3.76 4.50 0.00 -1.26 -5.01 105.19 110.90 3fj2 n GLY 23 Ca 0.04 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3fj2 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fj2 s GLU 24 N 0.00 3.35 -1.22 1.61 0.41 -1.07 -4.92 118.70 116.87 3fj2 s GLU 24 Ca 0.00 1.97 -0.18 0.00 -0.41 0.00 0.00 54.97 56.35 3fj2 s GLU 24 Cb 0.00 -2.25 0.09 0.00 -1.78 0.00 0.00 34.13 30.19 3fj2 s GLU 24 CO 0.00 -0.94 1.60 -0.80 -0.49 0.00 0.00 175.26 174.63 3fj2 s ASN 25 N -1.25 6.83 -0.08 -0.19 -0.87 -1.26 -4.97 114.94 113.16 3fj2 s ASN 25 Ca 0.70 -2.40 -0.02 0.00 -1.57 0.00 0.00 52.86 49.57 3fj2 s ASN 25 Cb -0.34 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.33 3fj2 s ASN 25 CO 0.39 -1.12 0.01 -0.69 -2.57 0.00 0.00 177.10 173.12 3fj2 s VAL 26 N 3.67 4.34 -0.14 1.60 1.01 -1.26 -4.39 120.40 125.23 3fj2 s VAL 26 Ca 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3fj2 s VAL 26 Cb 0.01 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3fj2 s VAL 26 CO 0.03 0.58 -0.14 -0.89 0.00 0.00 0.00 175.10 174.68 3fj2 s THR 27 N -0.91 2.88 -0.10 3.92 2.01 0.45 -4.95 115.64 118.94 3fj2 s THR 27 Ca 0.14 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 3fj2 s THR 27 Cb -0.11 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 3fj2 s THR 27 CO 0.03 0.52 0.39 -0.22 -0.69 0.00 0.00 174.62 174.65 3fj2 s LEU 28 N 0.52 4.32 0.11 4.42 2.96 -1.26 -0.45 118.68 129.30 3fj2 s LEU 28 Ca -0.09 0.75 0.04 0.00 -0.22 0.00 0.00 54.13 54.60 3fj2 s LEU 28 Cb -0.16 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3fj2 s LEU 28 CO 0.04 0.12 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.33 3fj2 s LEU 29 N 0.10 2.43 0.01 -0.68 1.43 -0.03 -4.26 118.68 117.69 3fj2 s LEU 29 Ca 0.22 -0.85 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 3fj2 s LEU 29 Cb -0.15 -0.35 -0.00 0.00 0.03 0.00 0.00 46.19 45.71 3fj2 s LEU 29 CO 0.09 -0.25 0.12 -1.10 0.23 0.00 0.00 176.35 175.43 3fj2 s GLN 30 N -2.93 0.51 0.00 1.70 -0.21 0.22 -1.11 119.66 117.83 3fj2 s GLN 30 Ca 0.08 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 54.95 3fj2 s GLN 30 Cb -0.02 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.19 3fj2 s GLN 30 CO 0.01 -0.12 0.00 0.27 -2.12 0.00 0.00 175.29 173.32 3fj2 n ASN 31 N 1.26 0.36 -0.04 5.90 0.23 0.15 -0.74 115.26 122.38 3fj2 n ASN 31 Ca -0.22 -0.57 0.02 0.00 -0.53 0.00 0.00 54.58 53.28 3fj2 n ASN 31 Cb 0.56 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.62 3fj2 n ASN 31 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 3fj2 h PHE 32 N 0.57 0.61 0.06 -2.53 -5.15 -2.02 -3.09 116.94 105.39 3fj2 h PHE 32 Ca 0.00 -0.00 -0.32 0.00 -0.20 0.00 0.00 57.97 57.45 3fj2 h PHE 32 Cb 0.00 -0.20 -0.03 0.00 0.22 0.00 0.00 35.95 35.94 3fj2 h PHE 32 CO 0.00 0.43 -1.78 0.77 -2.00 0.00 0.00 178.31 175.73 3fj2 h SER 33 N 0.64 0.21 -5.03 -0.68 0.02 -1.99 -3.50 113.55 103.22 3fj2 h SER 33 Ca 0.16 -0.43 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 3fj2 h SER 33 Cb 0.02 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 62.35 3fj2 h SER 33 CO -0.03 1.38 0.03 -1.58 -1.14 0.00 0.00 176.83 175.50 3fj2 s GLN 34 N -2.59 1.07 0.26 3.45 0.74 -1.17 -5.08 119.66 116.35 3fj2 s GLN 34 Ca -0.12 -0.38 0.09 0.00 0.05 0.00 0.00 55.36 55.00 3fj2 s GLN 34 Cb 0.07 0.49 -0.04 0.00 1.10 0.00 0.00 33.01 34.63 3fj2 s GLN 34 CO 0.81 -0.41 0.05 -1.12 -0.55 0.00 0.00 175.29 174.07 3fj2 s SER 35 N -2.28 4.81 -0.15 6.67 0.01 -1.16 -0.67 113.70 120.93 3fj2 s SER 35 Ca -0.02 -0.53 -0.13 0.00 1.31 0.00 0.00 55.95 56.57 3fj2 s SER 35 Cb -0.00 -1.00 0.04 0.00 0.21 0.00 0.00 66.02 65.27 3fj2 s SER 35 CO -0.06 -0.01 0.40 -0.22 0.41 0.00 0.00 173.24 173.76 3fj2 s LEU 36 N -3.69 0.46 -0.15 2.44 0.20 -0.27 -2.60 118.68 115.07 3fj2 s LEU 36 Ca 0.32 0.80 -0.04 0.00 0.69 0.00 0.00 54.13 55.90 3fj2 s LEU 36 Cb -0.07 1.35 -0.03 0.00 -0.43 0.00 0.00 46.19 47.01 3fj2 s LEU 36 CO 0.21 -0.14 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.36 3fj2 s LEU 37 N 0.28 3.41 -0.13 -0.68 1.43 0.10 -0.85 118.68 122.25 3fj2 s LEU 37 Ca -0.01 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3fj2 s LEU 37 Cb -0.03 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 3fj2 s LEU 37 CO -0.00 0.20 -0.18 -0.47 0.23 0.00 0.00 176.35 176.13 3fj2 s TYR 38 N 0.18 2.71 -0.01 0.29 6.14 0.40 -1.30 117.35 125.76 3fj2 s TYR 38 Ca -0.00 -0.92 0.02 0.00 0.64 0.00 0.00 57.07 56.80 3fj2 s TYR 38 Cb -0.13 -1.81 -0.00 0.00 0.42 0.00 0.00 41.96 40.44 3fj2 s TYR 38 CO 0.02 -0.37 -0.06 -1.14 0.64 0.00 0.00 175.55 174.64 3fj2 s GLN 39 N 0.48 0.53 -0.13 4.97 0.74 -0.54 -0.41 119.66 125.30 3fj2 s GLN 39 Ca -0.12 -0.19 -0.05 0.00 0.05 0.00 0.00 55.36 55.04 3fj2 s GLN 39 Cb -0.16 -0.52 -0.04 0.00 1.10 0.00 0.00 33.01 33.38 3fj2 s GLN 39 CO 0.05 0.10 0.04 -1.21 -0.55 0.00 0.00 175.29 173.72 3fj2 s GLU 40 N 0.03 3.50 0.29 1.67 2.02 -1.26 -0.76 118.70 124.18 3fj2 s GLU 40 Ca 0.00 -0.35 -0.16 0.00 0.02 0.00 0.00 54.97 54.48 3fj2 s GLU 40 Cb -0.04 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.17 3fj2 s GLU 40 CO -0.00 0.51 0.63 -1.54 0.02 0.00 0.00 175.26 174.88 3fj2 s SER 41 N -0.33 -0.10 -0.11 -0.19 1.04 -0.69 -4.89 113.70 108.44 3fj2 s SER 41 Ca 0.08 -0.84 0.03 0.00 0.48 0.00 0.00 55.95 55.69 3fj2 s SER 41 Cb -0.12 0.69 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 3fj2 s SER 41 CO 0.02 -1.32 -0.19 -0.89 0.98 0.00 0.00 173.24 171.84 3fj2 s THR 42 N -3.69 2.51 -0.79 2.02 2.01 -1.26 -0.16 115.64 116.28 3fj2 s THR 42 Ca 0.17 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.30 3fj2 s THR 42 Cb -0.04 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.47 3fj2 s THR 42 CO 0.09 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 3fj2 n GLY 43 N 3.40 0.28 3.55 4.40 0.00 -1.26 -5.00 105.19 110.56 3fj2 n GLY 43 Ca -0.18 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 3fj2 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fj2 s GLU 44 N -0.60 1.92 0.38 1.61 0.41 -1.26 -4.78 118.70 116.38 3fj2 s GLU 44 Ca 0.00 -1.69 0.14 0.00 -0.41 0.00 0.00 54.97 53.01 3fj2 s GLU 44 Cb 0.00 -1.89 0.74 0.00 -1.78 0.00 0.00 34.13 31.20 3fj2 s GLU 44 CO 0.00 0.28 1.82 -0.22 -0.49 0.00 0.00 175.26 176.65 3fj2 h LYS 45 N 2.06 0.00 0.00 1.61 3.64 -1.98 -3.47 116.57 118.43 3fj2 h LYS 45 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3fj2 h LYS 45 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3fj2 h LYS 45 CO 0.62 0.37 0.00 1.28 -2.27 0.00 0.00 179.45 179.46 3fj2 n LEU 46 N -3.97 0.00 -0.87 5.20 4.77 -1.26 -1.06 117.00 119.81 3fj2 n LEU 46 Ca -0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 3fj2 n LEU 46 Cb 0.42 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.75 3fj2 n LEU 46 CO 0.38 0.00 0.71 2.22 -1.33 0.00 0.00 177.39 179.37 3fj2 n PHE 47 N 14.00 0.13 -1.33 -1.77 1.16 -1.26 -4.96 117.46 123.43 3fj2 n PHE 47 Ca 0.00 -0.06 -0.33 0.00 -1.87 0.00 0.00 57.45 55.19 3fj2 n PHE 47 Cb 0.00 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 37.97 3fj2 n PHE 47 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3fj2 s GLN 48 N -1.87 2.05 0.54 3.97 -0.21 -0.22 -5.00 119.66 118.92 3fj2 s GLN 48 Ca 0.33 1.60 -0.07 0.00 0.02 0.00 0.00 55.36 57.24 3fj2 s GLN 48 Cb 0.21 -1.84 -0.02 0.00 1.00 0.00 0.00 33.01 32.35 3fj2 s GLN 48 CO 0.31 -1.87 0.87 -1.21 -2.12 0.00 0.00 175.29 171.26 3fj2 s GLU 49 N -4.18 3.38 0.00 2.91 2.02 -1.26 -4.99 118.70 116.58 3fj2 s GLU 49 Ca 0.70 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.95 3fj2 s GLU 49 Cb -0.25 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3fj2 s GLU 49 CO 0.48 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.76 3fj2 n GLY 50 N -2.45 0.50 3.86 -1.39 0.00 -1.26 -4.75 105.19 99.70 3fj2 n GLY 50 Ca 0.03 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 3fj2 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fj2 s LYS 51 N -1.06 3.63 -0.13 1.61 1.02 0.80 -4.84 119.74 120.77 3fj2 s LYS 51 Ca 0.00 0.05 -0.04 0.00 0.02 0.00 0.00 55.97 55.99 3fj2 s LYS 51 Cb 0.00 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 3fj2 s LYS 51 CO 0.00 0.72 0.03 -2.00 -0.92 0.00 0.00 175.35 173.19 3fj2 s GLU 52 N -0.97 3.46 -0.03 1.68 2.12 -1.26 -1.08 118.70 122.62 3fj2 s GLU 52 Ca 0.18 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.16 3fj2 s GLU 52 Cb -0.14 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.27 3fj2 s GLU 52 CO 0.07 0.51 -0.11 0.71 -0.54 0.00 0.00 175.26 175.90 3fj2 s TYR 53 N -0.32 1.14 -0.07 5.30 1.51 -0.14 -4.60 117.35 120.17 3fj2 s TYR 53 Ca 0.08 -0.31 -0.25 0.00 -1.01 0.00 0.00 57.07 55.57 3fj2 s TYR 53 Cb -0.12 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 3fj2 s TYR 53 CO 0.02 -0.13 0.79 0.50 -1.11 0.00 0.00 175.55 175.61 3fj2 s ARG 54 N 0.24 4.44 -0.18 -0.62 3.52 0.68 -0.94 118.95 126.09 3fj2 s ARG 54 Ca -0.05 1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 56.29 3fj2 s ARG 54 Cb -0.10 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.81 3fj2 s ARG 54 CO 0.01 -0.03 1.13 0.08 -0.81 0.00 0.00 175.30 175.68 3fj2 s VAL 55 N 1.07 4.51 -0.19 7.11 1.01 0.06 -1.06 120.40 132.92 3fj2 s VAL 55 Ca 0.41 1.82 -0.04 0.00 0.00 0.00 0.00 61.98 64.17 3fj2 s VAL 55 Cb -0.18 -4.18 -0.21 0.00 0.00 0.00 0.00 36.38 31.81 3fj2 s VAL 55 CO 0.19 -0.13 0.07 0.18 0.00 0.00 0.00 175.10 175.42 3fj2 n LEU 56 N 6.17 2.73 -3.79 3.92 4.77 0.88 -4.75 117.00 126.92 3fj2 n LEU 56 Ca 0.12 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 3fj2 n LEU 56 Cb 0.46 -1.01 -0.12 0.00 -2.33 0.00 0.00 43.42 40.42 3fj2 n LEU 56 CO 0.54 0.86 -0.11 -1.10 -1.33 0.00 0.00 177.39 176.25 3fj2 s GLN 57 N -2.53 0.30 0.05 3.23 -0.21 -1.01 -5.01 119.66 114.48 3fj2 s GLN 57 Ca -0.29 0.27 0.03 0.00 0.02 0.00 0.00 55.36 55.39 3fj2 s GLN 57 Cb 0.08 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 34.21 3fj2 s GLN 57 CO 0.68 -0.04 -0.09 0.45 -2.12 0.00 0.00 175.29 174.17 3fj2 s SER 58 N -0.00 1.01 0.03 5.90 0.15 -1.26 -0.76 113.70 118.76 3fj2 s SER 58 Ca -0.01 -0.59 -0.05 0.00 0.70 0.00 0.00 55.95 55.99 3fj2 s SER 58 Cb -0.02 0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 3fj2 s SER 58 CO 0.01 -0.20 0.09 -0.94 1.20 0.00 0.00 173.24 173.39 3fj2 s SER 59 N -1.72 0.16 0.54 5.45 1.04 -0.48 -4.97 113.70 113.72 3fj2 s SER 59 Ca -0.07 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3fj2 s SER 59 Cb -0.09 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3fj2 s SER 59 CO 0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.37 3fj2 n GLY 60 N 0.97 -0.50 3.30 7.32 0.00 -1.26 -1.64 105.19 113.38 3fj2 n GLY 60 Ca -0.20 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 3fj2 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fj2 s SER 61 N -4.00 -0.33 0.15 1.61 1.04 -1.00 -4.89 113.70 106.29 3fj2 s SER 61 Ca 0.00 0.39 -0.31 0.00 0.48 0.00 0.00 55.95 56.51 3fj2 s SER 61 Cb 0.00 0.50 -0.09 0.00 0.10 0.00 0.00 66.02 66.53 3fj2 s SER 61 CO 0.00 -0.38 1.43 -0.76 0.98 0.00 0.00 173.24 174.51 3fj2 s LEU 62 N -0.85 4.38 0.03 2.42 1.02 -1.26 -4.29 118.68 120.13 3fj2 s LEU 62 Ca -0.09 2.44 0.23 0.00 0.02 0.00 0.00 54.13 56.73 3fj2 s LEU 62 Cb -0.04 -3.59 -0.03 0.00 0.02 0.00 0.00 46.19 42.54 3fj2 s LEU 62 CO 0.04 -0.69 0.95 0.29 0.02 0.00 0.00 176.35 176.96 3fj2 n LYS 63 N 3.64 0.27 -0.77 1.70 4.76 -1.26 -5.01 118.16 121.49 3fj2 n LYS 63 Ca 0.11 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 3fj2 n LYS 63 Cb 0.41 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3fj2 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fj2 n GLY 64 N 1.38 0.79 3.45 0.72 0.00 -1.26 -5.06 105.19 105.21 3fj2 n GLY 64 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 3fj2 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3fj2 s PHE 65 N -2.00 -0.30 0.00 1.61 -0.12 -1.26 -5.04 117.98 110.87 3fj2 s PHE 65 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 3fj2 s PHE 65 Cb 0.00 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 3fj2 s PHE 65 CO 0.00 -0.85 0.00 0.41 -0.05 0.00 0.00 175.22 174.73 3fj2 n GLY 66 N -0.33 0.57 3.33 1.99 0.00 -1.26 -4.67 105.19 104.82 3fj2 n GLY 66 Ca -0.14 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 3fj2 n GLY 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fj2 s ILE 67 N 0.00 1.66 -0.06 -0.61 -4.36 -0.08 -3.32 121.20 114.44 3fj2 s ILE 67 Ca 0.00 -2.19 0.02 0.00 -0.26 0.00 0.00 60.65 58.21 3fj2 s ILE 67 Cb 0.00 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.70 3fj2 s ILE 67 CO 0.00 -0.61 -0.08 -0.69 0.24 0.00 0.00 174.94 173.80 3fj2 s VAL 68 N -3.02 0.83 -0.12 8.37 1.01 0.04 -1.10 120.40 126.42 3fj2 s VAL 68 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3fj2 s VAL 68 Cb -0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3fj2 s VAL 68 CO 0.06 0.29 -0.12 -0.69 0.00 0.00 0.00 175.10 174.64 3fj2 s VAL 69 N 0.84 3.16 -0.30 2.92 1.01 0.01 -0.72 120.40 127.32 3fj2 s VAL 69 Ca -0.12 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3fj2 s VAL 69 Cb -0.15 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 33.96 3fj2 s VAL 69 CO 0.01 0.53 -0.00 -0.36 0.00 0.00 0.00 175.10 175.28 3fj2 s PHE 70 N 0.15 3.27 -0.38 5.22 0.40 0.39 -1.30 117.98 125.73 3fj2 s PHE 70 Ca -0.06 -1.89 -0.08 0.00 -0.60 0.00 0.00 56.93 54.30 3fj2 s PHE 70 Cb -0.15 -2.11 0.05 0.00 0.51 0.00 0.00 43.02 41.33 3fj2 s PHE 70 CO 0.05 -0.81 0.19 -1.21 0.70 0.00 0.00 175.22 174.14 3fj2 s GLU 71 N 1.25 2.64 -0.22 0.44 2.02 0.02 -0.82 118.70 124.02 3fj2 s GLU 71 Ca -0.05 -1.29 -0.12 0.00 0.02 0.00 0.00 54.97 53.52 3fj2 s GLU 71 Cb -0.20 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.33 3fj2 s GLU 71 CO -0.01 -0.80 0.23 0.71 0.02 0.00 0.00 175.26 175.40 3fj2 s TYR 72 N 1.44 3.34 0.05 1.61 1.51 0.49 -0.98 117.35 124.81 3fj2 s TYR 72 Ca 0.01 0.36 -0.00 0.00 -1.01 0.00 0.00 57.07 56.43 3fj2 s TYR 72 Cb -0.21 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.27 3fj2 s TYR 72 CO 0.03 0.07 -0.04 0.96 -1.11 0.00 0.00 175.55 175.46 3fj2 s ILE 73 N 1.05 0.27 -0.14 2.71 -4.36 -0.37 -1.46 121.20 118.90 3fj2 s ILE 73 Ca 0.11 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 3fj2 s ILE 73 Cb -0.14 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.20 3fj2 s ILE 73 CO 0.05 -0.91 -0.15 -1.10 0.24 0.00 0.00 174.94 173.06 3fj2 s GLN 74 N -3.56 3.26 -0.06 0.37 -0.21 -1.26 -0.39 119.66 117.80 3fj2 s GLN 74 Ca 0.04 -0.74 -0.01 0.00 0.02 0.00 0.00 55.36 54.67 3fj2 s GLN 74 Cb 0.05 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 3fj2 s GLN 74 CO -0.08 0.10 -0.00 -0.51 -2.12 0.00 0.00 175.29 172.68 3fj2 s LEU 75 N 0.60 3.55 0.41 2.90 1.43 -0.70 -4.73 118.68 122.13 3fj2 s LEU 75 Ca -0.09 0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.88 3fj2 s LEU 75 Cb -0.16 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 3fj2 s LEU 75 CO 0.03 0.35 1.03 -0.13 0.23 0.00 0.00 176.35 177.86 3fj2 s ARG 76 N -1.06 4.16 0.25 1.70 0.52 -1.26 -4.83 118.95 118.43 3fj2 s ARG 76 Ca 0.15 1.44 -0.05 0.00 -0.52 0.00 0.00 55.73 56.74 3fj2 s ARG 76 Cb -0.11 -2.47 0.47 0.00 0.52 0.00 0.00 34.95 33.36 3fj2 s ARG 76 CO 0.04 -0.13 1.65 -0.44 0.02 0.00 0.00 175.30 176.44 3fj2 h ASP 77 N 2.37 -0.23 -0.02 0.23 3.32 -1.99 0.09 116.42 120.19 3fj2 h ASP 77 Ca -0.48 0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.76 3fj2 h ASP 77 Cb 1.21 0.30 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 3fj2 h ASP 77 CO 0.62 -0.15 0.01 -0.33 -1.72 0.00 0.00 179.24 177.67 3fj2 h GLU 78 N 0.15 0.00 0.00 3.56 5.08 -2.06 -1.53 114.58 119.78 3fj2 h GLU 78 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3fj2 h GLU 78 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3fj2 h GLU 78 CO -0.63 0.00 -0.15 0.93 -1.00 0.00 0.00 179.01 178.16 3fj2 h GLU 79 N 0.00 0.00 0.14 2.33 5.08 -1.36 -3.41 114.58 117.36 3fj2 h GLU 79 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3fj2 h GLU 79 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3fj2 h GLU 79 CO -0.00 0.00 -0.07 0.82 -1.00 0.00 0.00 179.01 178.76 3fj2 h ILE 80 N 0.00 0.99 -0.89 3.13 2.04 -1.04 0.89 117.51 122.64 3fj2 h ILE 80 Ca 0.00 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.30 3fj2 h ILE 80 Cb 0.86 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 3fj2 h ILE 80 CO 0.00 0.14 0.57 -0.65 0.00 0.00 0.00 178.15 178.21 3fj2 h PRO 81 N -0.48 1.05 -0.30 2.37 0.11 -1.79 -0.53 132.00 132.43 3fj2 h PRO 81 Ca -0.02 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3fj2 h PRO 81 Cb 0.38 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3fj2 h PRO 81 CO 0.03 0.69 0.11 0.82 -0.21 0.00 0.00 178.00 179.44 3fj2 h ILE 82 N 1.08 1.19 -0.38 4.15 1.08 -1.78 -2.02 117.51 120.83 3fj2 h ILE 82 Ca 0.37 -0.59 -0.06 0.00 -0.39 0.00 0.00 64.86 64.19 3fj2 h ILE 82 Cb 0.07 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 3fj2 h ILE 82 CO -0.14 0.20 0.00 0.15 -0.69 0.00 0.00 178.15 177.67 3fj2 h PHE 83 N 0.33 0.74 -0.85 1.37 3.57 -0.39 -3.10 116.94 118.60 3fj2 h PHE 83 Ca 0.10 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 3fj2 h PHE 83 Cb 0.21 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3fj2 h PHE 83 CO -0.00 0.76 0.43 -0.07 -2.23 0.00 0.00 178.31 177.19 3fj2 h LEU 84 N 0.50 1.10 -1.10 0.59 3.38 -1.04 0.09 115.31 118.83 3fj2 h LEU 84 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fj2 h LEU 84 Cb 0.46 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3fj2 h LEU 84 CO 0.02 0.91 0.00 1.67 0.09 0.00 0.00 178.44 181.13 3fj2 n GLN 85 N -4.33 0.32 0.00 1.13 7.27 -0.77 -1.47 117.38 119.54 3fj2 n GLN 85 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 3fj2 n GLN 85 Cb 0.13 -1.18 0.00 0.00 2.41 0.00 0.00 30.24 31.60 3fj2 n GLN 85 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 3fj2 n TYR 87 N 0.39 0.00 -0.18 3.69 4.19 0.02 -1.36 117.16 123.91 3fj2 n TYR 87 Ca 0.00 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.13 3fj2 n TYR 87 Cb 0.09 0.00 0.01 0.00 0.49 0.00 0.00 39.34 39.93 3fj2 n TYR 87 CO 0.00 0.00 0.00 0.37 0.91 0.00 0.00 176.86 178.14 3fj2 h GLN 88 N 0.00 0.75 -0.42 2.98 -0.00 -1.49 0.11 115.11 117.04 3fj2 h GLN 88 Ca 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.65 58.51 3fj2 h GLN 88 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.34 3fj2 h GLN 88 CO 0.00 0.66 0.25 0.45 0.00 0.00 0.00 178.83 180.20 3fj2 h HIS 89 N 0.67 0.55 -0.79 3.99 3.86 -1.49 -2.81 115.15 119.13 3fj2 h HIS 89 Ca 0.17 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.43 3fj2 h HIS 89 Cb 0.19 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 3fj2 h HIS 89 CO 0.00 0.38 0.52 0.00 0.86 0.00 0.00 177.93 179.70 3fj2 h ALA 90 N 1.12 1.58 0.00 2.45 0.00 -1.72 -2.67 119.26 120.01 3fj2 h ALA 90 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fj2 h ALA 90 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3fj2 h ALA 90 CO -0.03 0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.20 3fj2 h SER 91 N 0.92 0.00 0.14 0.00 4.64 -0.53 -1.10 113.55 117.63 3fj2 h SER 91 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3fj2 h SER 91 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3fj2 h SER 91 CO -0.11 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.78 3fj2 h LEU 92 N 0.00 0.00 -2.16 5.97 3.38 -1.41 -2.65 115.31 118.43 3fj2 h LEU 92 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fj2 h LEU 92 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3fj2 h LEU 92 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3fj2 n HIS 93 N -2.58 0.21 -0.16 1.13 8.25 -0.42 -4.61 115.22 117.04 3fj2 n HIS 93 Ca -0.01 -0.26 0.05 0.00 -0.26 0.00 0.00 57.72 57.24 3fj2 n HIS 93 Cb 0.08 -0.01 0.34 0.00 1.12 0.00 0.00 29.99 31.52 3fj2 n HIS 93 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3fj2 h PHE 94 N 1.89 0.77 0.00 4.41 0.04 -1.53 -1.76 116.94 120.76 3fj2 h PHE 94 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3fj2 h PHE 94 Cb 0.57 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3fj2 h PHE 94 CO 0.11 0.43 0.00 0.66 -0.60 0.00 0.00 178.31 178.91 3fj2 h SER 95 N 0.78 0.00 0.03 2.17 4.64 -1.82 -1.89 113.55 117.47 3fj2 h SER 95 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3fj2 h SER 95 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3fj2 h SER 95 CO -0.09 0.00 -0.15 -0.62 -0.87 0.00 0.00 176.83 175.10 3fj2 n GLU 96 N -3.05 1.58 -2.82 4.77 1.02 -0.67 -4.91 120.64 116.56 3fj2 n GLU 96 Ca -0.01 -1.15 -0.42 0.00 -0.02 0.00 0.00 57.16 55.56 3fj2 n GLU 96 Cb 0.19 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 3fj2 n GLU 96 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fj2 s THR 97 N -2.21 4.65 0.27 2.62 2.01 -0.71 -4.98 115.64 117.29 3fj2 s THR 97 Ca 0.28 1.32 -0.31 0.00 0.31 0.00 0.00 61.69 63.30 3fj2 s THR 97 Cb 0.20 -4.28 -0.12 0.00 0.01 0.00 0.00 72.50 68.31 3fj2 s THR 97 CO 0.41 -0.41 1.64 -2.84 -0.69 0.00 0.00 174.62 172.73 3fj2 s PRO 98 N 3.31 4.11 0.00 4.92 0.02 -1.26 -2.44 135.00 143.66 3fj2 s PRO 98 Ca 0.38 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3fj2 s PRO 98 Cb -0.13 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3fj2 s PRO 98 CO 0.15 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 3fj2 n GLY 99 N 2.68 1.28 3.60 0.52 0.00 -1.26 -4.81 105.19 107.21 3fj2 n GLY 99 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3fj2 n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fj2 s LEU 100 N 0.00 4.11 -0.14 0.99 2.96 -1.02 -0.61 118.68 124.97 3fj2 s LEU 100 Ca 0.00 0.54 -0.22 0.00 -0.22 0.00 0.00 54.13 54.23 3fj2 s LEU 100 Cb 0.00 -3.00 -0.25 0.00 0.50 0.00 0.00 46.19 43.44 3fj2 s LEU 100 CO 0.00 -0.60 0.55 1.56 -1.32 0.00 0.00 176.35 176.54 3fj2 h GLN 101 N 8.21 0.11 -2.19 1.98 4.20 -0.60 -3.48 115.11 123.34 3fj2 h GLN 101 Ca -0.25 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.27 3fj2 h GLN 101 Cb 1.10 0.07 -0.18 0.00 0.30 0.00 0.00 27.48 28.78 3fj2 h GLN 101 CO 0.87 1.09 0.32 0.45 -0.67 0.00 0.00 178.83 180.90 3fj2 s SER 102 N -6.76 -0.52 0.04 1.46 0.15 -1.19 -2.38 113.70 104.49 3fj2 s SER 102 Ca -0.22 0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.81 3fj2 s SER 102 Cb 0.02 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 3fj2 s SER 102 CO 0.70 -0.64 -0.07 0.42 1.20 0.00 0.00 173.24 174.86 3fj2 s THR 103 N -2.12 0.45 -0.06 6.45 -4.23 -0.65 -0.99 115.64 114.49 3fj2 s THR 103 Ca -0.03 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3fj2 s THR 103 Cb -0.01 -0.53 0.02 0.00 1.34 0.00 0.00 72.50 73.33 3fj2 s THR 103 CO -0.01 -0.38 -0.06 -0.54 -0.54 0.00 0.00 174.62 173.10 3fj2 s LYS 104 N -1.48 1.07 -0.23 3.99 3.01 0.47 -1.38 119.74 125.18 3fj2 s LYS 104 Ca -0.10 -0.16 -0.14 0.00 -1.01 0.00 0.00 55.97 54.55 3fj2 s LYS 104 Cb -0.10 -1.06 -0.04 0.00 -1.01 0.00 0.00 37.83 35.62 3fj2 s LYS 104 CO 0.00 -0.10 0.34 -1.17 0.51 0.00 0.00 175.35 174.93 3fj2 s LEU 105 N 1.07 4.12 0.08 3.17 2.96 0.06 -0.85 118.68 129.28 3fj2 s LEU 105 Ca -0.08 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 3fj2 s LEU 105 Cb -0.14 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 3fj2 s LEU 105 CO -0.01 -0.08 -0.07 0.42 -1.32 0.00 0.00 176.35 175.30 3fj2 s THR 106 N 1.46 0.63 0.03 3.68 -4.23 -0.23 -0.08 115.64 116.90 3fj2 s THR 106 Ca 0.16 -1.70 0.09 0.00 -1.18 0.00 0.00 61.69 59.05 3fj2 s THR 106 Cb -0.15 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 3fj2 s THR 106 CO 0.08 -0.75 -0.25 -1.59 -0.54 0.00 0.00 174.62 171.57 3fj2 s LYS 107 N -3.23 1.80 0.00 3.99 -2.85 -0.22 -1.09 119.74 118.14 3fj2 s LYS 107 Ca 0.06 -1.04 0.00 0.00 -1.00 0.00 0.00 55.97 53.99 3fj2 s LYS 107 Cb 0.01 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 3fj2 s LYS 107 CO -0.04 0.50 0.00 0.00 0.10 0.00 0.00 175.35 175.92 3fj2 n ALA 108 N 1.94 0.00 0.00 0.59 0.00 0.07 -0.23 120.51 122.88 3fj2 n ALA 108 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3fj2 n ALA 108 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3fj2 n ALA 108 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fj2 n ASN 110 N 0.00 0.00 -4.07 0.00 3.02 -1.26 -4.76 115.26 108.20 3fj2 n ASN 110 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 3fj2 n ASN 110 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 3fj2 n ASN 110 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3fj2 s THR 111 N 0.00 0.54 -1.09 3.41 -4.23 -1.26 -5.05 115.64 107.96 3fj2 s THR 111 Ca 0.00 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.64 3fj2 s THR 111 Cb 0.00 -2.47 0.57 0.00 1.34 0.00 0.00 72.50 71.95 3fj2 s THR 111 CO 0.00 0.00 1.43 0.59 -0.54 0.00 0.00 174.62 176.10 3fj2 n ASN 112 N -1.12 3.93 -4.70 3.99 4.13 -1.26 -4.87 115.26 115.36 3fj2 n ASN 112 Ca -0.02 -2.41 -0.42 0.00 1.68 0.00 0.00 54.58 53.41 3fj2 n ASN 112 Cb 0.65 -0.53 -0.03 0.00 -1.54 0.00 0.00 39.78 38.33 3fj2 n ASN 112 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3fj2 s GLN 113 N -1.88 4.41 0.16 3.52 2.00 -1.26 -1.72 119.66 124.88 3fj2 s GLN 113 Ca 0.40 1.69 0.08 0.00 -2.00 0.00 0.00 55.36 55.53 3fj2 s GLN 113 Cb 0.27 -3.46 -0.04 0.00 0.80 0.00 0.00 33.01 30.58 3fj2 s GLN 113 CO 0.18 -0.33 -0.06 -0.06 -0.50 0.00 0.00 175.29 174.52 3fj2 s PHE 114 N 1.61 2.74 -0.07 1.67 0.40 0.47 -0.75 117.98 124.06 3fj2 s PHE 114 Ca 0.57 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.71 3fj2 s PHE 114 Cb -0.26 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 41.94 3fj2 s PHE 114 CO 0.26 0.49 0.01 -1.17 0.70 0.00 0.00 175.22 175.51 3fj2 s LEU 115 N -2.71 0.53 -0.27 -0.37 2.96 -0.25 -1.23 118.68 117.34 3fj2 s LEU 115 Ca 0.25 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.02 3fj2 s LEU 115 Cb -0.10 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 3fj2 s LEU 115 CO 0.16 -0.20 0.09 -0.63 -1.32 0.00 0.00 176.35 174.45 3fj2 s ILE 116 N 2.00 4.33 -0.15 6.68 1.01 -0.15 -1.07 121.20 133.85 3fj2 s ILE 116 Ca 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 3fj2 s ILE 116 Cb -0.12 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3fj2 s ILE 116 CO -0.05 0.25 -0.01 -0.69 0.00 0.00 0.00 174.94 174.44 3fj2 s VAL 117 N 1.60 4.13 -0.01 2.92 1.01 -0.03 -0.80 120.40 129.22 3fj2 s VAL 117 Ca 0.06 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3fj2 s VAL 117 Cb -0.16 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 3fj2 s VAL 117 CO 0.04 0.50 -0.09 -0.94 0.00 0.00 0.00 175.10 174.61 3fj2 s SER 118 N 0.23 1.11 -0.17 3.32 1.04 -0.42 -0.40 113.70 118.41 3fj2 s SER 118 Ca -0.01 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 3fj2 s SER 118 Cb -0.13 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 3fj2 s SER 118 CO 0.02 0.10 -0.11 -0.36 0.98 0.00 0.00 173.24 173.87 3fj2 s PHE 119 N -0.13 2.85 0.05 5.02 0.40 -0.16 -0.81 117.98 125.20 3fj2 s PHE 119 Ca 0.02 -0.90 0.06 0.00 -0.60 0.00 0.00 56.93 55.51 3fj2 s PHE 119 Cb -0.05 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 3fj2 s PHE 119 CO -0.00 -0.42 -0.17 -1.58 0.70 0.00 0.00 175.22 173.75 3fj2 s TRP 120 N 0.88 1.49 0.33 0.36 0.52 -0.25 0.16 118.94 122.43 3fj2 s TRP 120 Ca -0.03 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.73 3fj2 s TRP 120 Cb -0.15 -0.88 0.56 0.00 -1.15 0.00 0.00 33.47 31.86 3fj2 s TRP 120 CO -0.00 0.07 1.97 -0.44 0.02 0.00 0.00 176.95 178.58 3fj2 h ASP 121 N 4.78 0.83 -5.06 2.95 3.32 -1.13 -0.17 116.42 121.93 3fj2 h ASP 121 Ca -0.41 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 56.72 3fj2 h ASP 121 Cb 1.17 -0.20 -0.09 0.00 0.22 0.00 0.00 39.33 40.44 3fj2 h ASP 121 CO 0.43 0.58 0.35 -0.94 -1.72 0.00 0.00 179.24 177.94 3fj2 s SER 122 N -6.29 -0.30 0.43 6.45 1.04 -1.26 -4.30 113.70 109.47 3fj2 s SER 122 Ca -0.11 -0.35 0.18 0.00 0.48 0.00 0.00 55.95 56.15 3fj2 s SER 122 Cb 0.18 0.58 0.99 0.00 0.10 0.00 0.00 66.02 67.87 3fj2 s SER 122 CO 0.78 -1.03 1.93 -0.08 0.98 0.00 0.00 173.24 175.81 3fj2 h GLU 123 N 2.00 0.00 -0.76 4.02 4.81 -1.95 -2.76 114.58 119.94 3fj2 h GLU 123 Ca -0.24 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3fj2 h GLU 123 Cb 1.25 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.56 3fj2 h GLU 123 CO 0.28 0.25 0.40 0.28 -0.73 0.00 0.00 179.01 179.49 3fj2 h VAL 124 N 0.00 0.86 -0.50 0.32 2.07 -1.99 0.14 116.25 117.15 3fj2 h VAL 124 Ca -0.00 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 3fj2 h VAL 124 Cb 0.51 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3fj2 h VAL 124 CO 0.03 0.12 -0.19 -0.26 0.02 0.00 0.00 177.57 177.30 3fj2 h PHE 125 N 0.67 1.14 -0.38 1.57 0.04 -1.81 -1.68 116.94 116.49 3fj2 h PHE 125 Ca 0.38 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 3fj2 h PHE 125 Cb 0.39 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3fj2 h PHE 125 CO -0.09 1.09 0.14 0.35 -0.60 0.00 0.00 178.31 179.20 3fj2 h PHE 126 N 0.87 0.59 -0.48 -0.55 3.57 -1.36 -1.87 116.94 117.71 3fj2 h PHE 126 Ca 0.12 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.65 3fj2 h PHE 126 Cb 0.76 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 3fj2 h PHE 126 CO 0.05 0.54 0.13 0.37 -2.23 0.00 0.00 178.31 177.17 3fj2 h GLN 127 N 0.47 0.27 -0.84 1.11 5.75 -0.55 -1.29 115.11 120.02 3fj2 h GLN 127 Ca 0.13 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 3fj2 h GLN 127 Cb 0.21 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.65 3fj2 h GLN 127 CO -0.01 0.18 0.54 0.93 -2.65 0.00 0.00 178.83 177.81 3fj2 h GLU 128 N 0.28 1.01 0.00 1.69 4.39 -1.21 -2.16 114.58 118.58 3fj2 h GLU 128 Ca 0.24 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3fj2 h GLU 128 Cb 0.29 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3fj2 h GLU 128 CO -0.28 0.67 -0.06 2.35 -1.16 0.00 0.00 179.01 180.52 3fj2 h TRP 129 N 1.04 0.00 -0.03 4.33 7.01 -0.40 -1.54 115.95 126.35 3fj2 h TRP 129 Ca 0.34 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.35 3fj2 h TRP 129 Cb 0.02 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.08 3fj2 h TRP 129 CO -0.02 0.06 0.06 0.87 -2.79 0.00 0.00 178.44 176.62 3fj2 h LYS 130 N 0.00 0.00 0.00 2.65 1.57 -0.68 -0.55 116.57 119.56 3fj2 h LYS 130 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fj2 h LYS 130 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3fj2 h LYS 130 CO 0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 3fj2 n LYS 131 N -3.38 0.11 -2.75 3.15 5.02 -0.58 -4.45 118.16 115.28 3fj2 n LYS 131 Ca -0.02 0.17 -0.31 0.00 -2.02 0.00 0.00 58.31 56.13 3fj2 n LYS 131 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3fj2 n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3fj2 s THR 132 N -2.82 4.72 0.31 -0.18 -4.23 -0.22 -4.94 115.64 108.29 3fj2 s THR 132 Ca 0.12 0.77 0.02 0.00 -1.18 0.00 0.00 61.69 61.42 3fj2 s THR 132 Cb 0.11 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.51 3fj2 s THR 132 CO 0.29 -0.55 1.91 -0.65 -0.54 0.00 0.00 174.62 175.08 3fj2 h PRO 133 N 1.20 0.94 -0.37 3.99 0.11 -1.90 -1.59 132.00 134.39 3fj2 h PRO 133 Ca -0.47 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3fj2 h PRO 133 Cb 1.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3fj2 h PRO 133 CO 0.63 0.62 0.21 1.25 -0.21 0.00 0.00 178.00 180.51 3fj2 h LEU 134 N 0.97 0.45 -0.88 2.35 5.85 -1.93 -0.99 115.31 121.13 3fj2 h LEU 134 Ca 0.39 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3fj2 h LEU 134 Cb 0.26 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3fj2 h LEU 134 CO -0.15 0.39 0.47 -0.74 -0.34 0.00 0.00 178.44 178.07 3fj2 h HIS 135 N 0.47 1.22 -0.56 1.25 2.76 -1.72 -0.86 115.15 117.72 3fj2 h HIS 135 Ca 0.13 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3fj2 h HIS 135 Cb 0.03 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 28.57 3fj2 h HIS 135 CO -0.03 0.85 0.35 0.87 -1.30 0.00 0.00 177.93 178.67 3fj2 h LYS 136 N 1.24 0.69 -0.41 5.26 1.79 -0.83 -0.58 116.57 123.73 3fj2 h LYS 136 Ca 0.31 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.58 3fj2 h LYS 136 Cb 0.05 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 3fj2 h LYS 136 CO -0.05 0.45 -0.35 0.93 -1.08 0.00 0.00 179.45 179.36 3fj2 h GLU 137 N 0.71 0.95 -0.53 3.15 5.08 -0.90 0.01 114.58 123.05 3fj2 h GLU 137 Ca 0.22 -0.48 0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3fj2 h GLU 137 Cb -0.02 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3fj2 h GLU 137 CO -0.07 1.14 0.28 0.82 -1.00 0.00 0.00 179.01 180.18 3fj2 h ILE 138 N 0.79 0.98 -0.63 3.13 2.04 -1.00 -1.17 117.51 121.65 3fj2 h ILE 138 Ca 0.07 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3fj2 h ILE 138 Cb 0.94 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3fj2 h ILE 138 CO 0.09 0.10 0.19 0.74 0.00 0.00 0.00 178.15 179.27 3fj2 h THR 139 N 0.55 1.25 -0.49 -0.27 2.02 -0.86 -2.92 112.91 112.19 3fj2 h THR 139 Ca 0.23 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 3fj2 h THR 139 Cb 0.11 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3fj2 h THR 139 CO -0.14 0.33 0.25 0.28 0.37 0.00 0.00 175.52 176.60 3fj2 h SER 140 N 0.91 0.63 0.00 4.18 0.02 -0.67 -1.95 113.55 116.66 3fj2 h SER 140 Ca 0.20 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3fj2 h SER 140 Cb 0.30 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3fj2 h SER 140 CO -0.01 0.56 0.00 -0.38 -1.14 0.00 0.00 176.83 175.87 3fj2 n ILE 141 N -4.64 0.20 0.00 3.27 5.41 -0.47 -0.22 119.36 122.92 3fj2 n ILE 141 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3fj2 n ILE 141 Cb 0.10 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 3fj2 n ILE 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3fj2 n LYS 143 N 0.88 0.00 -0.13 0.38 0.00 -0.73 -0.89 118.16 117.66 3fj2 n LYS 143 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.24 3fj2 n LYS 143 Cb 0.10 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.22 3fj2 n LYS 143 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3fj2 h LYS 144 N 0.00 0.87 -0.19 1.64 3.64 -0.86 -3.14 116.57 118.54 3fj2 h LYS 144 Ca 0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3fj2 h LYS 144 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3fj2 h LYS 144 CO 0.00 0.93 0.00 0.09 -2.27 0.00 0.00 179.45 178.20 3fj2 n ASN 145 N -4.16 3.10 -4.60 4.20 4.13 -0.07 -4.93 115.26 112.93 3fj2 n ASN 145 Ca 0.02 -1.97 -0.43 0.00 1.68 0.00 0.00 54.58 53.88 3fj2 n ASN 145 Cb 0.37 -0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.47 3fj2 n ASN 145 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3fj2 s ASN 146 N -1.77 5.41 -0.00 6.41 3.84 -1.19 -4.78 114.94 122.86 3fj2 s ASN 146 Ca 0.33 1.85 0.02 0.00 0.21 0.00 0.00 52.86 55.28 3fj2 s ASN 146 Cb 0.21 -2.51 0.07 0.00 -0.55 0.00 0.00 41.25 38.47 3fj2 s ASN 146 CO 0.31 -2.00 1.04 0.35 -2.79 0.00 0.00 177.10 174.01 3fj2 n THR 147 N 7.78 0.11 -1.95 -5.21 -2.24 -1.26 -4.91 114.28 106.59 3fj2 n THR 147 Ca 0.30 -0.11 -0.15 0.00 -2.27 0.00 0.00 64.05 61.82 3fj2 n THR 147 Cb 0.45 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3fj2 n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fj2 n GLN 148 N -0.25 -1.13 -0.07 -0.78 1.13 -1.26 -4.87 117.38 110.15 3fj2 n GLN 148 Ca 0.03 0.84 0.07 0.00 -1.94 0.00 0.00 57.00 55.99 3fj2 n GLN 148 Cb 0.08 -5.09 0.09 0.00 0.11 0.00 0.00 30.24 25.43 3fj2 n GLN 148 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3fj2 n VAL 149 N -3.46 1.54 -0.32 5.09 0.24 -1.26 -5.00 118.33 115.16 3fj2 n VAL 149 Ca -0.17 -1.79 0.00 0.00 -2.04 0.00 0.00 64.34 60.35 3fj2 n VAL 149 Cb 0.58 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 3fj2 n VAL 149 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fj2 n GLY 150 N -1.10 0.83 0.27 7.63 0.00 -1.26 -4.98 105.19 106.58 3fj2 n GLY 150 Ca 0.11 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3fj2 n GLY 150 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fj2 n PHE 151 N -2.32 0.00 -3.95 1.61 3.72 -1.26 -4.83 117.46 110.43 3fj2 n PHE 151 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 3fj2 n PHE 151 Cb 0.00 -0.11 -0.16 0.00 -0.94 0.00 0.00 39.48 38.27 3fj2 n PHE 151 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3fj2 s SER 152 N -2.51 2.93 -0.19 4.37 0.01 -1.26 -3.79 113.70 113.26 3fj2 s SER 152 Ca 0.23 -0.67 -0.34 0.00 1.31 0.00 0.00 55.95 56.49 3fj2 s SER 152 Cb 0.19 -1.07 0.14 0.00 0.21 0.00 0.00 66.02 65.49 3fj2 s SER 152 CO 0.53 -0.14 1.19 -1.38 0.41 0.00 0.00 173.24 173.86 3fj2 s HIS 153 N 1.53 -0.15 -0.21 2.43 -3.43 -0.54 -4.99 115.29 109.94 3fj2 s HIS 153 Ca 0.01 0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.42 3fj2 s HIS 153 Cb -0.15 0.51 0.03 0.00 -1.43 0.00 0.00 32.58 31.55 3fj2 s HIS 153 CO -0.09 -0.21 -0.17 -2.00 -2.00 0.00 0.00 174.74 170.27 3fj2 s GLU 154 N -2.20 2.71 -0.08 -0.38 2.12 -1.26 -0.38 118.70 119.23 3fj2 s GLU 154 Ca 0.08 -1.02 0.03 0.00 0.36 0.00 0.00 54.97 54.42 3fj2 s GLU 154 Cb -0.01 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 3fj2 s GLU 154 CO -0.05 -0.34 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.67 3fj2 s ASP 155 N 1.22 3.89 -0.09 -1.70 1.01 -0.00 -4.96 116.67 116.04 3fj2 s ASP 155 Ca -0.00 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 52.99 3fj2 s ASP 155 Cb -0.16 -1.14 -0.02 0.00 1.01 0.00 0.00 42.92 42.62 3fj2 s ASP 155 CO -0.10 0.26 -0.15 -0.63 0.21 0.00 0.00 175.17 174.77 3fj2 s ILE 156 N -0.24 2.98 0.14 0.77 1.01 -1.26 -0.46 121.20 124.14 3fj2 s ILE 156 Ca 0.01 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 59.99 3fj2 s ILE 156 Cb -0.13 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 3fj2 s ILE 156 CO 0.03 0.56 -0.12 -0.31 0.00 0.00 0.00 174.94 175.09 3fj2 s TYR 157 N -0.17 1.37 0.35 3.97 1.51 0.10 -4.71 117.35 119.77 3fj2 s TYR 157 Ca -0.00 -0.64 0.06 0.00 -1.01 0.00 0.00 57.07 55.48 3fj2 s TYR 157 Cb -0.13 -0.69 -0.07 0.00 -0.11 0.00 0.00 41.96 40.95 3fj2 s TYR 157 CO 0.03 0.14 -0.00 -3.38 -1.11 0.00 0.00 175.55 171.23 3fj2 s HIS 158 N -2.72 2.24 0.54 2.71 -3.43 0.08 -0.78 115.29 113.93 3fj2 s HIS 158 Ca 0.13 -0.74 -0.18 0.00 -0.80 0.00 0.00 55.06 53.47 3fj2 s HIS 158 Cb -0.01 -1.46 -0.06 0.00 -1.43 0.00 0.00 32.58 29.61 3fj2 s HIS 158 CO 0.02 0.30 1.05 0.71 -2.00 0.00 0.00 174.74 174.83 3fj2 s TYR 159 N -2.93 3.00 0.99 0.38 1.51 -1.21 -0.61 117.35 118.49 3fj2 s TYR 159 Ca 0.34 1.54 -0.13 0.00 -1.01 0.00 0.00 57.07 57.82 3fj2 s TYR 159 Cb 0.08 -3.03 0.12 0.00 -0.11 0.00 0.00 41.96 39.01 3fj2 s TYR 159 CO 0.16 -0.96 0.67 -2.30 -1.11 0.00 0.00 175.55 172.01 3fj2 n PRO 160 N -1.49 -0.82 0.30 -1.71 -0.02 -1.26 -4.81 135.00 125.18 3fj2 n PRO 160 Ca 0.09 -0.19 0.19 0.00 -2.02 0.00 0.00 63.50 61.56 3fj2 n PRO 160 Cb 0.53 -2.05 0.90 0.00 -0.02 0.00 0.00 33.50 32.86 3fj2 n PRO 160 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3fj2 h GLU 161 N -1.90 0.00 0.00 -0.52 9.09 -2.00 -3.48 114.58 115.78 3fj2 h GLU 161 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 3fj2 h GLU 161 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 3fj2 h GLU 161 CO 0.39 0.02 0.00 0.34 0.05 0.00 0.00 179.01 179.81 3fj2 n PHE 162 N -3.16 0.00 -0.00 2.06 7.35 -1.26 -5.29 117.46 117.16 3fj2 n PHE 162 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 3fj2 n PHE 162 Cb 0.21 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.04 3fj2 n PHE 162 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87