#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aje s SER -6 N 0.00 4.51 0.27 1.61 1.04 -1.26 -5.04 113.70 114.84 1aje s SER -6 Ca 0.00 1.08 -0.12 0.00 0.48 0.00 0.00 55.95 57.39 1aje s SER -6 Cb 0.00 -1.74 -0.08 0.00 0.10 0.00 0.00 66.02 64.30 1aje s SER -6 CO 0.00 -1.93 0.63 -0.54 0.98 0.00 0.00 173.24 172.38 1aje s LYS -5 N -5.32 3.88 0.12 4.02 1.02 -1.26 -5.06 119.74 117.14 1aje s LYS -5 Ca 0.61 0.44 -0.17 0.00 0.02 0.00 0.00 55.97 56.87 1aje s LYS -5 Cb -0.13 -2.55 -0.07 0.00 -0.52 0.00 0.00 37.83 34.56 1aje s LYS -5 CO 0.52 0.24 0.58 -1.50 -0.92 0.00 0.00 175.35 174.27 1aje s ILE -4 N -1.91 4.77 1.08 2.17 1.10 -1.26 -5.04 121.20 122.11 1aje s ILE -4 Ca 0.50 1.06 -0.18 0.00 -0.51 0.00 0.00 60.65 61.52 1aje s ILE -4 Cb -0.11 -3.82 0.11 0.00 0.15 0.00 0.00 42.46 38.79 1aje s ILE -4 CO 0.20 0.39 -0.01 -0.38 -2.11 0.00 0.00 174.94 173.02 1aje n ILE -3 N 1.22 0.00 -3.65 2.00 -0.00 -1.26 -5.01 119.36 112.66 1aje n ILE -3 Ca -0.07 -0.18 0.04 0.00 -0.00 0.00 0.00 62.75 62.54 1aje n ILE -3 Cb 0.51 -0.52 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 1aje n ILE -3 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1aje s SER -2 N -1.84 -0.01 -1.40 4.38 0.15 -1.26 -5.02 113.70 108.70 1aje s SER -2 Ca 0.48 -0.02 -0.09 0.00 0.70 0.00 0.00 55.95 57.01 1aje s SER -2 Cb -0.08 0.02 0.07 0.00 -1.71 0.00 0.00 66.02 64.33 1aje s SER -2 CO 0.55 -0.05 2.35 0.00 1.20 0.00 0.00 173.24 177.29 1aje n ALA -1 N -0.59 6.37 -2.10 5.45 0.00 -1.26 -4.07 120.51 124.30 1aje n ALA -1 Ca -0.07 -3.99 -0.28 0.00 0.00 0.00 0.00 53.44 49.10 1aje n ALA -1 Cb 0.63 -3.10 0.02 0.00 0.00 0.00 0.00 19.45 17.00 1aje n ALA -1 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1aje n MET 1 N 3.49 3.34 0.00 0.00 2.81 -1.26 -4.68 117.12 120.82 1aje n MET 1 Ca 0.58 -4.12 0.00 0.00 -1.81 0.00 0.00 57.70 52.35 1aje n MET 1 Cb 0.30 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.54 1aje n MET 1 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1aje n GLN 2 N -0.63 0.00 -2.28 0.03 1.13 -1.26 -5.12 117.38 109.25 1aje n GLN 2 Ca 0.45 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.51 1aje n GLN 2 Cb 0.73 -0.79 -0.00 0.00 0.11 0.00 0.00 30.24 30.29 1aje n GLN 2 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1aje n THR 3 N -2.20 -6.40 -3.93 5.09 -2.24 -1.26 -4.92 114.28 98.41 1aje n THR 3 Ca 0.00 1.47 -0.33 0.00 -2.27 0.00 0.00 64.05 62.92 1aje n THR 3 Cb 0.33 -3.79 -0.14 0.00 -2.10 0.00 0.00 70.33 64.63 1aje n THR 3 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1aje s ILE 4 N -0.29 2.68 -0.51 2.28 1.09 0.38 -4.74 121.20 122.10 1aje s ILE 4 Ca -0.02 -2.06 -0.25 0.00 -1.10 0.00 0.00 60.65 57.21 1aje s ILE 4 Cb 0.00 -2.83 0.03 0.00 -1.06 0.00 0.00 42.46 38.60 1aje s ILE 4 CO 0.06 -0.51 0.97 -0.75 -0.10 0.00 0.00 174.94 174.61 1aje s LYS 5 N 1.04 3.46 -0.09 2.79 2.47 -1.26 0.11 119.74 128.27 1aje s LYS 5 Ca 0.06 0.03 -0.11 0.00 -1.56 0.00 0.00 55.97 54.39 1aje s LYS 5 Cb -0.20 -3.98 -0.05 0.00 -1.46 0.00 0.00 37.83 32.13 1aje s LYS 5 CO -0.06 -1.39 0.26 0.00 0.16 0.00 0.00 175.35 174.33 1aje s VAL 7 N -0.73 5.27 0.11 0.00 1.01 0.45 -2.49 120.40 124.01 1aje s VAL 7 Ca 0.18 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 1aje s VAL 7 Cb -0.14 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 1aje s VAL 7 CO 0.07 0.16 0.66 -0.69 0.00 0.00 0.00 175.10 175.30 1aje s VAL 8 N 1.74 4.59 0.06 2.92 1.01 -1.04 0.41 120.40 130.09 1aje s VAL 8 Ca 0.07 1.44 0.05 0.00 0.00 0.00 0.00 61.98 63.53 1aje s VAL 8 Cb -0.16 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1aje s VAL 8 CO 0.11 0.53 -0.13 0.68 0.00 0.00 0.00 175.10 176.29 1aje s VAL 9 N -1.06 1.01 0.00 2.92 -7.23 -0.86 -3.39 120.40 111.78 1aje s VAL 9 Ca 0.32 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1aje s VAL 9 Cb -0.21 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.76 1aje s VAL 9 CO 0.22 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1aje n GLY 10 N 1.46 0.05 0.12 2.32 0.00 -1.26 -2.73 105.19 105.13 1aje n GLY 10 Ca -0.21 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.36 1aje n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aje n ASP 11 N -0.65 1.24 -2.02 1.61 8.00 -1.26 -4.81 116.55 118.66 1aje n ASP 11 Ca 0.00 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1aje n ASP 11 Cb 0.00 0.88 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 1aje n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aje n GLY 12 N 1.48 -5.29 0.66 0.44 0.00 -1.26 -3.09 105.19 98.12 1aje n GLY 12 Ca 0.05 -0.30 0.49 0.00 0.00 0.00 0.00 46.02 46.27 1aje n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aje h ALA 13 N 3.87 3.64 0.00 4.61 0.00 -1.93 -2.21 119.26 127.25 1aje h ALA 13 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1aje h ALA 13 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1aje h ALA 13 CO 0.00 -2.18 -1.81 1.55 0.00 0.00 0.00 179.25 176.81 1aje n VAL 14 N -4.06 1.15 0.00 0.00 3.14 -1.26 -4.94 118.33 112.36 1aje n VAL 14 Ca 0.41 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.62 1aje n VAL 14 Cb 1.84 -1.84 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1aje n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1aje n GLY 15 N 1.83 3.16 0.79 7.55 0.00 -0.83 -4.94 105.19 112.75 1aje n GLY 15 Ca -0.33 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1aje n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aje n LYS 16 N 0.00 0.95 0.37 1.61 4.81 -1.26 -4.29 118.16 120.35 1aje n LYS 16 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1aje n LYS 16 Cb 0.00 -1.21 -0.08 0.00 0.02 0.00 0.00 35.03 33.76 1aje n LYS 16 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1aje h THR 17 N 0.03 0.00 -0.53 3.15 2.02 -1.92 -1.78 112.91 113.88 1aje h THR 17 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1aje h THR 17 Cb 0.76 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1aje h THR 17 CO 0.00 0.00 0.77 0.00 0.37 0.00 0.00 175.52 176.66 1aje h LEU 19 N 0.00 -0.07 -0.98 0.00 7.12 -1.61 -2.29 115.31 117.48 1aje h LEU 19 Ca 0.25 0.00 0.32 0.00 0.13 0.00 0.00 57.88 58.58 1aje h LEU 19 Cb 1.78 0.02 -0.18 0.00 -0.53 0.00 0.00 40.66 41.75 1aje h LEU 19 CO -0.00 -0.04 0.19 0.18 -0.13 0.00 0.00 178.44 178.63 1aje n LEU 20 N -2.25 0.03 0.03 2.25 4.32 -0.17 0.53 117.00 121.74 1aje n LEU 20 Ca -0.01 1.65 -0.02 0.00 -0.02 0.00 0.00 56.01 57.61 1aje n LEU 20 Cb 0.03 -0.67 -0.01 0.00 -1.62 0.00 0.00 43.42 41.15 1aje n LEU 20 CO 0.02 -1.73 0.50 0.40 -1.22 0.00 0.00 177.39 175.36 1aje h ILE 21 N 0.00 0.00 -0.03 -0.08 1.08 -1.29 -1.24 117.51 115.95 1aje h ILE 21 Ca 0.67 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.15 1aje h ILE 21 Cb 1.54 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1aje h ILE 21 CO -0.87 0.00 0.02 -1.28 -0.69 0.00 0.00 178.15 175.33 1aje h SER 22 N -0.12 0.00 -0.08 1.72 0.87 -0.58 2.20 113.55 117.57 1aje h SER 22 Ca -0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1aje h SER 22 Cb 0.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1aje h SER 22 CO -0.03 0.00 0.15 0.22 -0.53 0.00 0.00 176.83 176.64 1aje h TYR 23 N 0.00 0.00 0.00 2.24 5.03 0.12 3.89 116.97 128.25 1aje h TYR 23 Ca 0.01 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 1aje h TYR 23 Cb 0.05 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1aje h TYR 23 CO 0.00 0.00 -1.19 0.25 -1.32 0.00 0.00 178.16 175.90 1aje n THR 24 N -3.41 0.19 1.01 1.81 -2.24 0.15 -4.62 114.28 107.17 1aje n THR 24 Ca -0.01 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 1aje n THR 24 Cb 0.24 -0.62 0.08 0.00 -2.10 0.00 0.00 70.33 67.93 1aje n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1aje n THR 25 N -2.59 0.00 -1.69 4.28 -2.24 0.70 -4.92 114.28 107.82 1aje n THR 25 Ca -0.06 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1aje n THR 25 Cb 0.56 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.18 1aje n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1aje n ASN 26 N 0.86 -0.48 -3.15 3.42 4.13 1.28 -4.73 115.26 116.59 1aje n ASN 26 Ca 0.13 0.24 0.05 0.00 1.68 0.00 0.00 54.58 56.67 1aje n ASN 26 Cb 0.55 -0.72 -0.01 0.00 -1.54 0.00 0.00 39.78 38.07 1aje n ASN 26 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1aje s LYS 27 N -3.35 0.38 0.34 3.52 2.36 -1.26 -4.74 119.74 116.99 1aje s LYS 27 Ca 0.00 0.52 0.07 0.00 -2.55 0.00 0.00 55.97 54.01 1aje s LYS 27 Cb 0.00 0.27 -0.02 0.00 -1.05 0.00 0.00 37.83 37.03 1aje s LYS 27 CO 0.00 -0.55 0.38 -0.59 1.55 0.00 0.00 175.35 176.14 1aje s PHE 28 N 2.90 3.00 -2.21 4.03 -0.12 -1.26 -4.72 117.98 119.59 1aje s PHE 28 Ca 0.14 -0.27 0.25 0.00 -0.05 0.00 0.00 56.93 57.00 1aje s PHE 28 Cb -0.10 -1.89 0.54 0.00 -0.63 0.00 0.00 43.02 40.94 1aje s PHE 28 CO -0.20 0.09 1.44 -0.35 -0.05 0.00 0.00 175.22 176.15 1aje n PRO 29 N -1.50 1.38 0.00 1.99 -0.04 -1.26 -4.94 135.00 130.63 1aje n PRO 29 Ca -0.01 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1aje n PRO 29 Cb 0.59 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1aje n PRO 29 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1aje n SER 30 N 0.04 0.00 -2.72 3.54 3.41 -1.26 -4.67 113.62 111.96 1aje n SER 30 Ca 0.13 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.51 1aje n SER 30 Cb 0.42 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1aje n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aje n GLU 31 N 0.00 2.74 0.00 4.33 1.02 -1.26 -4.98 120.64 122.50 1aje n GLU 31 Ca 0.00 -4.29 0.00 0.00 -0.02 0.00 0.00 57.16 52.85 1aje n GLU 31 Cb 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1aje n GLU 31 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1aje n TYR 32 N -0.26 0.00 -2.62 -0.32 4.19 -1.26 -4.85 117.16 112.04 1aje n TYR 32 Ca 0.30 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 61.21 1aje n TYR 32 Cb 0.61 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.42 1aje n TYR 32 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 1aje s VAL 33 N 0.00 4.78 -0.83 2.97 -7.23 -1.26 -4.96 120.40 113.87 1aje s VAL 33 Ca 0.00 0.62 -0.25 0.00 -1.81 0.00 0.00 61.98 60.54 1aje s VAL 33 Cb 0.00 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 1aje s VAL 33 CO 0.00 -0.70 1.81 -2.16 -0.31 0.00 0.00 175.10 173.73 1aje s PRO 34 N -4.27 2.76 0.00 4.82 0.04 -1.26 -4.89 135.00 132.20 1aje s PRO 34 Ca 0.52 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1aje s PRO 34 Cb -0.10 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.57 1aje s PRO 34 CO 0.38 -2.96 0.00 -2.37 0.04 0.00 0.00 177.00 172.09 1aje n THR 35 N 7.46 0.00 -1.56 1.26 5.66 -1.26 -5.10 114.28 120.74 1aje n THR 35 Ca 0.31 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.88 1aje n THR 35 Cb 0.49 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.26 1aje n THR 35 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1aje n VAL 36 N 0.00 2.06 -0.86 1.08 3.14 -1.26 -4.88 118.33 117.61 1aje n VAL 36 Ca 0.00 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.53 1aje n VAL 36 Cb 0.00 -0.91 0.09 0.00 -1.06 0.00 0.00 33.84 31.97 1aje n VAL 36 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 1aje n PHE 37 N -0.11 -2.05 -3.44 1.45 7.35 -1.26 -5.02 117.46 114.38 1aje n PHE 37 Ca 0.10 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1aje n PHE 37 Cb 0.34 -1.51 0.00 0.00 0.35 0.00 0.00 39.48 38.66 1aje n PHE 37 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1aje n ASP 38 N 1.01 1.74 -1.79 -2.13 5.75 -1.26 -5.01 116.55 114.86 1aje n ASP 38 Ca 0.00 -0.57 -0.01 0.00 -0.01 0.00 0.00 54.79 54.20 1aje n ASP 38 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1aje n ASP 38 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1aje n ASN 39 N -0.72 -3.37 -1.61 -1.12 2.85 -1.26 -5.10 115.26 104.92 1aje n ASN 39 Ca 0.00 0.25 -0.02 0.00 -0.11 0.00 0.00 54.58 54.71 1aje n ASN 39 Cb 0.00 -2.00 0.01 0.00 1.24 0.00 0.00 39.78 39.03 1aje n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1aje n TYR 40 N -0.06 -1.07 -4.08 1.20 0.18 -1.26 -5.02 117.16 107.04 1aje n TYR 40 Ca 0.01 -0.45 -0.32 0.00 1.88 0.00 0.00 57.90 59.02 1aje n TYR 40 Cb 0.04 0.22 -0.16 0.00 -0.38 0.00 0.00 39.34 39.06 1aje n TYR 40 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1aje s ALA 41 N -1.31 2.19 0.58 -3.48 0.00 -1.25 -2.54 121.76 115.95 1aje s ALA 41 Ca 0.06 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 1aje s ALA 41 Cb -0.01 -1.19 0.04 0.00 0.00 0.00 0.00 23.12 21.96 1aje s ALA 41 CO 0.02 -0.47 0.82 0.14 0.00 0.00 0.00 175.76 176.28 1aje s VAL 42 N 1.34 2.58 -0.17 0.00 -7.23 -0.99 -4.47 120.40 111.46 1aje s VAL 42 Ca 0.03 -0.59 -0.05 0.00 -1.81 0.00 0.00 61.98 59.57 1aje s VAL 42 Cb -0.14 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 1aje s VAL 42 CO -0.11 0.00 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.78 1aje s THR 43 N -2.86 4.09 0.13 5.32 2.01 -1.26 0.13 115.64 123.19 1aje s THR 43 Ca 0.58 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.31 1aje s THR 43 Cb -0.10 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.60 1aje s THR 43 CO 0.40 0.47 0.12 0.52 -0.69 0.00 0.00 174.62 175.43 1aje n VAL 44 N 3.75 0.00 -3.61 3.82 0.31 -1.04 -4.86 118.33 116.70 1aje n VAL 44 Ca -0.17 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 63.58 1aje n VAL 44 Cb 0.52 -0.52 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1aje n VAL 44 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1aje s MET 45 N -2.53 0.29 -0.12 5.55 -1.94 -1.26 -2.12 119.30 117.17 1aje s MET 45 Ca 0.09 0.89 -0.05 0.00 -1.71 0.00 0.00 55.69 54.91 1aje s MET 45 Cb -0.01 0.11 -0.02 0.00 2.01 0.00 0.00 34.83 36.93 1aje s MET 45 CO 0.06 -0.32 -0.09 0.82 -0.01 0.00 0.00 175.02 175.47 1aje h ILE 46 N 6.20 0.00 -0.49 2.53 5.03 -1.86 -3.44 117.51 125.49 1aje h ILE 46 Ca -0.16 -1.00 -0.26 0.00 -0.12 0.00 0.00 64.86 63.32 1aje h ILE 46 Cb 1.12 0.00 -0.37 0.00 -3.03 0.00 0.00 36.82 34.54 1aje h ILE 46 CO 0.15 0.00 -1.02 0.61 -0.68 0.00 0.00 178.15 177.21 1aje n GLY 47 N 1.70 1.74 0.00 5.37 0.00 -1.26 -4.90 105.19 107.84 1aje n GLY 47 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1aje n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aje n GLY 48 N -0.59 1.17 3.13 -0.02 0.00 -1.26 -5.09 105.19 102.53 1aje n GLY 48 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1aje n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aje s GLU 49 N -0.62 2.09 -0.02 1.61 2.02 -1.26 -4.80 118.70 117.72 1aje s GLU 49 Ca 0.00 -0.63 -0.21 0.00 0.02 0.00 0.00 54.97 54.15 1aje s GLU 49 Cb 0.00 -1.71 -0.05 0.00 0.10 0.00 0.00 34.13 32.47 1aje s GLU 49 CO 0.00 0.17 0.63 -1.25 0.02 0.00 0.00 175.26 174.83 1aje s PRO 50 N 0.28 4.37 -0.32 0.39 0.04 -1.25 -2.64 135.00 135.86 1aje s PRO 50 Ca -0.10 0.78 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 1aje s PRO 50 Cb -0.14 -3.37 0.10 0.00 0.04 0.00 0.00 34.50 31.12 1aje s PRO 50 CO 0.04 0.28 0.09 0.71 0.04 0.00 0.00 177.00 178.17 1aje s TYR 51 N 0.09 1.98 0.85 0.56 2.02 -0.90 -4.18 117.35 117.77 1aje s TYR 51 Ca 0.33 -1.92 -0.13 0.00 -0.37 0.00 0.00 57.07 54.98 1aje s TYR 51 Cb -0.18 -1.88 0.07 0.00 -0.40 0.00 0.00 41.96 39.57 1aje s TYR 51 CO 0.18 -0.89 0.93 2.41 -1.57 0.00 0.00 175.55 176.61 1aje n THR 52 N 4.75 1.20 -3.62 -0.71 -1.04 -1.25 -2.50 114.28 111.11 1aje n THR 52 Ca -0.01 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.05 61.54 1aje n THR 52 Cb 0.42 -0.97 -0.16 0.00 -1.82 0.00 0.00 70.33 67.79 1aje n THR 52 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1aje s LEU 53 N -4.09 0.60 -0.59 -4.42 0.05 0.34 0.14 118.68 110.72 1aje s LEU 53 Ca 0.68 -0.83 -0.23 0.00 0.05 0.00 0.00 54.13 53.80 1aje s LEU 53 Cb -0.27 -0.35 0.06 0.00 -2.05 0.00 0.00 46.19 43.58 1aje s LEU 53 CO 0.57 -0.36 0.90 -0.83 -0.55 0.00 0.00 176.35 176.07 1aje s GLY 54 N 2.06 1.46 -0.25 -3.48 0.00 0.30 -2.33 107.32 105.07 1aje s GLY 54 Ca 0.03 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.05 1aje s GLY 54 CO -0.16 1.96 0.20 -2.27 0.00 0.00 0.00 173.10 172.83 1aje s LEU 55 N 3.76 4.08 0.06 0.66 2.96 -1.05 0.03 118.68 129.18 1aje s LEU 55 Ca 0.24 0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 54.19 1aje s LEU 55 Cb -0.16 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 1aje s LEU 55 CO 0.14 -0.00 0.13 0.72 -1.32 0.00 0.00 176.35 176.01 1aje s PHE 56 N 1.41 0.22 1.05 5.38 -0.71 -1.04 -4.32 117.98 119.98 1aje s PHE 56 Ca 0.09 -0.62 -0.12 0.00 -1.04 0.00 0.00 56.93 55.24 1aje s PHE 56 Cb -0.15 -0.14 0.22 0.00 -1.21 0.00 0.00 43.02 41.75 1aje s PHE 56 CO 0.08 -0.45 1.07 0.34 -1.34 0.00 0.00 175.22 174.91 1aje s ASP 57 N -2.59 1.92 0.77 1.98 -1.08 -1.26 -2.50 116.67 113.90 1aje s ASP 57 Ca 0.02 1.63 -0.16 0.00 -0.52 0.00 0.00 52.55 53.52 1aje s ASP 57 Cb 0.03 -2.30 -0.04 0.00 -1.46 0.00 0.00 42.92 39.15 1aje s ASP 57 CO -0.08 -3.63 0.39 0.41 0.52 0.00 0.00 175.17 172.77 1aje n THR 58 N -4.55 1.26 -1.12 1.71 -1.04 -1.22 -4.73 114.28 104.59 1aje n THR 58 Ca 0.06 -0.37 -0.31 0.00 -2.04 0.00 0.00 64.05 61.38 1aje n THR 58 Cb 0.54 -0.63 0.11 0.00 -1.82 0.00 0.00 70.33 68.53 1aje n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aje s ALA 59 N -2.01 2.03 0.00 2.41 0.00 -1.26 -4.90 121.76 118.03 1aje s ALA 59 Ca 0.62 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1aje s ALA 59 Cb -0.32 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1aje s ALA 59 CO 0.62 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.74 1aje n GLY 60 N -0.70 -0.43 2.68 0.00 0.00 -1.26 -5.08 105.19 100.39 1aje n GLY 60 Ca 0.10 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1aje n GLY 60 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1aje s GLN 61 N -1.85 0.54 0.44 1.61 0.74 -1.26 -4.99 119.66 114.89 1aje s GLN 61 Ca 0.00 -0.77 0.32 0.00 0.05 0.00 0.00 55.36 54.95 1aje s GLN 61 Cb 0.00 -1.77 1.46 0.00 1.10 0.00 0.00 33.01 33.80 1aje s GLN 61 CO 0.00 -0.92 1.61 0.93 -0.55 0.00 0.00 175.29 176.35 1aje h GLU 62 N 8.22 0.05 -1.70 1.67 4.39 -1.98 0.88 114.58 126.12 1aje h GLU 62 Ca -0.16 -0.00 0.49 0.00 0.34 0.00 0.00 59.36 60.03 1aje h GLU 62 Cb 1.04 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.60 1aje h GLU 62 CO 0.43 0.03 1.22 0.22 -1.16 0.00 0.00 179.01 179.76 1aje h ASP 63 N 0.05 0.01 0.00 1.42 3.58 -1.94 -2.96 116.42 116.59 1aje h ASP 63 Ca 0.85 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.30 1aje h ASP 63 Cb 2.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.76 1aje h ASP 63 CO -0.42 -0.01 0.00 0.00 -2.88 0.00 0.00 179.24 175.93 1aje n TYR 64 N -4.04 0.00 0.00 0.28 9.36 0.31 -4.57 117.16 118.50 1aje n TYR 64 Ca 0.38 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.60 1aje n TYR 64 Cb 1.75 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 40.32 1aje n TYR 64 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1aje n ASP 65 N -2.16 0.00 -3.98 2.98 5.68 -1.12 -5.17 116.55 112.78 1aje n ASP 65 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.20 1aje n ASP 65 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1aje n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aje s ARG 66 N 0.00 1.58 0.71 0.11 1.70 -1.25 -5.17 118.95 116.64 1aje s ARG 66 Ca 0.00 -1.21 0.00 0.00 -0.47 0.00 0.00 55.73 54.05 1aje s ARG 66 Cb 0.00 0.49 0.13 0.00 -0.57 0.00 0.00 34.95 35.00 1aje s ARG 66 CO 0.00 -0.67 0.98 -0.51 -1.08 0.00 0.00 175.30 174.02 1aje s LEU 67 N -3.00 2.98 -0.89 -1.89 2.01 -1.26 -4.81 118.68 111.82 1aje s LEU 67 Ca 0.21 -0.44 -0.00 0.00 0.01 0.00 0.00 54.13 53.90 1aje s LEU 67 Cb -0.01 -1.89 0.28 0.00 0.01 0.00 0.00 46.19 44.58 1aje s LEU 67 CO 0.09 -1.84 1.13 -2.11 1.01 0.00 0.00 176.35 174.62 1aje n ARG 68 N -2.79 3.53 -1.17 1.70 0.00 -1.26 -5.05 116.66 111.63 1aje n ARG 68 Ca 0.15 -4.60 -0.31 0.00 -0.00 0.00 0.00 57.85 53.10 1aje n ARG 68 Cb 0.61 -2.40 0.11 0.00 -0.00 0.00 0.00 32.46 30.77 1aje n ARG 68 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1aje s PRO 69 N -2.52 1.89 0.00 2.89 0.04 -1.26 -5.06 135.00 130.99 1aje s PRO 69 Ca 0.34 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1aje s PRO 69 Cb 0.07 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1aje s PRO 69 CO 0.04 -1.90 0.00 1.28 0.04 0.00 0.00 177.00 176.46 1aje n LEU 70 N -3.69 0.00 -1.01 -3.56 4.77 -1.26 -4.93 117.00 107.32 1aje n LEU 70 Ca 0.09 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1aje n LEU 70 Cb 0.53 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.86 1aje n LEU 70 CO 0.53 0.00 0.71 -1.54 -1.33 0.00 0.00 177.39 175.76 1aje n SER 71 N 0.00 3.56 0.01 -1.43 3.41 -1.26 -4.57 113.62 113.33 1aje n SER 71 Ca 0.00 -2.12 -0.12 0.00 -0.26 0.00 0.00 58.87 56.38 1aje n SER 71 Cb 0.00 -0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 1aje n SER 71 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1aje h TYR 72 N 3.02 0.08 -4.21 7.33 -1.99 -2.03 -3.43 116.97 115.74 1aje h TYR 72 Ca 0.00 -0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.24 1aje h TYR 72 Cb 0.95 -0.03 0.06 0.00 2.00 0.00 0.00 36.73 39.71 1aje h TYR 72 CO 0.40 0.12 0.38 -1.25 -0.00 0.00 0.00 178.16 177.81 1aje s PRO 73 N -5.90 3.34 0.00 4.88 0.04 -1.26 -5.08 135.00 131.03 1aje s PRO 73 Ca -0.13 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1aje s PRO 73 Cb 0.06 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1aje s PRO 73 CO 0.67 -0.79 0.00 1.04 0.04 0.00 0.00 177.00 177.97 1aje n GLN 74 N -2.09 2.02 0.00 4.56 6.02 -1.26 -5.04 117.38 121.59 1aje n GLN 74 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1aje n GLN 74 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 1aje n GLN 74 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1aje n THR 75 N 0.00 0.00 -2.45 5.09 -2.24 -1.26 -4.94 114.28 108.48 1aje n THR 75 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1aje n THR 75 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1aje n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1aje n ASP 76 N -0.95 -3.54 -2.57 3.42 9.92 0.46 -4.89 116.55 118.40 1aje n ASP 76 Ca 0.00 -0.33 0.00 0.00 -0.53 0.00 0.00 54.79 53.93 1aje n ASP 76 Cb 0.00 -2.75 0.00 0.00 -0.64 0.00 0.00 41.12 37.73 1aje n ASP 76 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1aje n VAL 77 N -2.38 0.00 -3.46 2.53 0.31 0.56 -4.64 118.33 111.26 1aje n VAL 77 Ca -0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.04 1aje n VAL 77 Cb 0.56 -1.66 -0.12 0.00 -0.91 0.00 0.00 33.84 31.71 1aje n VAL 77 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1aje s PHE 78 N -0.60 -0.12 -0.82 3.52 0.08 -0.82 -0.42 117.98 118.80 1aje s PHE 78 Ca 0.00 -0.50 -0.22 0.00 0.12 0.00 0.00 56.93 56.33 1aje s PHE 78 Cb 0.00 -0.65 0.08 0.00 -0.57 0.00 0.00 43.02 41.89 1aje s PHE 78 CO 0.00 -0.89 1.14 -0.51 -0.10 0.00 0.00 175.22 174.86 1aje s LEU 79 N 2.21 4.31 -0.37 -0.37 1.43 0.17 -1.67 118.68 124.38 1aje s LEU 79 Ca 0.10 -1.35 -0.29 0.00 -1.03 0.00 0.00 54.13 51.55 1aje s LEU 79 Cb -0.15 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.63 1aje s LEU 79 CO -0.33 -1.38 1.22 -0.69 0.23 0.00 0.00 176.35 175.41 1aje s VAL 80 N 3.97 4.20 -0.61 -1.59 1.01 -0.68 -2.03 120.40 124.65 1aje s VAL 80 Ca 0.31 1.31 -0.26 0.00 0.00 0.00 0.00 61.98 63.34 1aje s VAL 80 Cb -0.09 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1aje s VAL 80 CO 0.01 -0.68 1.94 0.00 0.00 0.00 0.00 175.10 176.36 1aje h PHE 82 N 15.34 -0.24 -4.06 0.00 3.04 -1.17 -3.43 116.94 126.42 1aje h PHE 82 Ca -0.24 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.74 1aje h PHE 82 Cb 1.17 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 39.74 1aje h PHE 82 CO 1.04 -0.15 -0.84 0.43 -2.02 0.00 0.00 178.31 176.77 1aje n SER 83 N -5.25 -1.28 -0.00 0.41 7.64 -1.24 -2.47 113.62 111.43 1aje n SER 83 Ca -0.02 0.72 0.08 0.00 1.01 0.00 0.00 58.87 60.66 1aje n SER 83 Cb 0.17 -3.27 -0.11 0.00 -1.01 0.00 0.00 64.21 59.98 1aje n SER 83 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1aje n VAL 84 N 0.88 0.00 0.25 0.44 0.31 -1.26 -3.24 118.33 115.71 1aje n VAL 84 Ca -0.22 -0.24 0.11 0.00 -0.01 0.00 0.00 64.34 63.98 1aje n VAL 84 Cb 0.34 0.58 0.67 0.00 -0.91 0.00 0.00 33.84 34.52 1aje n VAL 84 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1aje h VAL 85 N 0.00 0.73 -1.97 2.52 2.07 -1.85 -1.19 116.25 116.56 1aje h VAL 85 Ca 0.00 -0.54 -0.54 0.00 0.82 0.00 0.00 66.70 66.45 1aje h VAL 85 Cb 0.59 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 1aje h VAL 85 CO 0.00 0.13 -0.55 -0.44 0.02 0.00 0.00 177.57 176.73 1aje s SER 86 N -6.40 4.79 -0.26 0.57 0.01 -1.26 -4.68 113.70 106.47 1aje s SER 86 Ca -0.03 -0.67 -0.29 0.00 1.31 0.00 0.00 55.95 56.27 1aje s SER 86 Cb 0.14 -0.84 -0.02 0.00 0.21 0.00 0.00 66.02 65.51 1aje s SER 86 CO 0.62 -0.22 1.60 -2.16 0.41 0.00 0.00 173.24 173.49 1aje s PRO 87 N -3.83 3.71 -0.64 12.44 0.04 -1.26 -3.42 135.00 142.04 1aje s PRO 87 Ca 0.36 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1aje s PRO 87 Cb -0.04 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1aje s PRO 87 CO 0.23 -1.39 0.00 0.45 0.04 0.00 0.00 177.00 176.32 1aje n SER 88 N 8.71 -1.94 -0.33 6.66 2.88 -1.26 -4.74 113.62 123.60 1aje n SER 88 Ca 0.19 0.21 -0.01 0.00 -1.33 0.00 0.00 58.87 57.93 1aje n SER 88 Cb 0.46 -1.95 0.15 0.00 -0.75 0.00 0.00 64.21 62.12 1aje n SER 88 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1aje h SER 89 N 0.00 1.07 0.00 -3.46 0.87 -1.78 -0.01 113.55 110.23 1aje h SER 89 Ca -0.14 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1aje h SER 89 Cb 0.62 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1aje h SER 89 CO 0.19 0.76 0.10 2.22 -0.53 0.00 0.00 176.83 179.57 1aje n PHE 90 N -4.40 0.02 0.04 2.24 -1.74 -1.03 -2.17 117.46 110.42 1aje n PHE 90 Ca 0.11 0.01 -0.22 0.00 -0.56 0.00 0.00 57.45 56.79 1aje n PHE 90 Cb 0.03 -0.42 -0.14 0.00 1.52 0.00 0.00 39.48 40.47 1aje n PHE 90 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 1aje h GLU 91 N 0.00 0.32 0.00 3.97 4.22 -1.26 -3.25 114.58 118.58 1aje h GLU 91 Ca 0.00 -0.55 0.00 0.00 0.08 0.00 0.00 59.36 58.89 1aje h GLU 91 Cb 0.20 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1aje h GLU 91 CO 0.00 1.26 0.00 -2.95 -2.18 0.00 0.00 179.01 175.14 1aje h ASN 92 N -0.06 0.00 -0.88 1.04 -1.07 -1.56 0.35 115.58 113.40 1aje h ASN 92 Ca -0.34 0.00 0.11 0.00 0.07 0.00 0.00 56.30 56.14 1aje h ASN 92 Cb 1.96 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 38.13 1aje h ASN 92 CO 0.12 0.00 0.51 0.58 0.07 0.00 0.00 177.43 178.71 1aje h VAL 93 N 0.00 0.89 0.63 6.14 2.07 -1.58 -2.05 116.25 122.33 1aje h VAL 93 Ca 0.00 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1aje h VAL 93 Cb 0.08 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1aje h VAL 93 CO 0.00 0.15 -0.30 0.11 0.02 0.00 0.00 177.57 177.55 1aje h LYS 94 N 0.82 -0.81 -1.01 1.57 6.56 -0.45 0.80 116.57 124.06 1aje h LYS 94 Ca 0.44 0.06 0.42 0.00 -1.06 0.00 0.00 60.65 60.50 1aje h LYS 94 Cb 0.44 0.18 -0.18 0.00 -0.57 0.00 0.00 32.23 32.11 1aje h LYS 94 CO -0.27 -0.49 0.55 0.39 -2.06 0.00 0.00 179.45 177.57 1aje n GLU 95 N -5.38 -0.06 0.00 3.15 1.02 -0.81 -2.90 120.64 115.67 1aje n GLU 95 Ca -0.12 1.36 0.00 0.00 -0.02 0.00 0.00 57.16 58.38 1aje n GLU 95 Cb 0.36 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 1aje n GLU 95 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1aje n LYS 96 N -5.21 2.08 -0.04 3.49 5.02 -0.96 -4.65 118.16 117.89 1aje n LYS 96 Ca 0.38 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.51 1aje n LYS 96 Cb 1.29 -0.69 -0.07 0.00 -0.02 0.00 0.00 35.03 35.54 1aje n LYS 96 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1aje h TRP 97 N 0.00 0.83 -0.28 2.13 4.06 0.55 -2.08 115.95 121.17 1aje h TRP 97 Ca 0.00 -0.34 -0.13 0.00 2.06 0.00 0.00 58.89 60.48 1aje h TRP 97 Cb 0.29 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1aje h TRP 97 CO 0.00 1.12 -0.33 0.28 -3.56 0.00 0.00 178.44 175.95 1aje h VAL 98 N 0.30 1.30 0.00 1.49 2.07 -1.23 -0.09 116.25 120.09 1aje h VAL 98 Ca -0.02 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1aje h VAL 98 Cb 1.14 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1aje h VAL 98 CO 0.11 0.48 0.00 -0.81 0.02 0.00 0.00 177.57 177.38 1aje n PRO 99 N -4.23 0.15 -0.01 1.57 -0.04 -1.22 0.30 135.00 131.52 1aje n PRO 99 Ca -0.04 0.55 -0.15 0.00 -0.04 0.00 0.00 63.50 63.82 1aje n PRO 99 Cb 0.50 -1.89 -0.14 0.00 -0.04 0.00 0.00 33.50 31.93 1aje n PRO 99 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1aje n GLU 100 N -2.19 0.70 -0.13 0.54 0.00 -0.66 -4.05 120.64 114.85 1aje n GLU 100 Ca -0.00 0.28 -0.29 0.00 0.00 0.00 0.00 57.16 57.15 1aje n GLU 100 Cb 0.10 -1.75 -0.10 0.00 0.00 0.00 0.00 31.44 29.69 1aje n GLU 100 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1aje n ILE 101 N -3.26 1.53 0.04 6.31 -5.35 -0.14 -4.23 119.36 114.26 1aje n ILE 101 Ca -0.25 -0.34 -0.22 0.00 -0.27 0.00 0.00 62.75 61.67 1aje n ILE 101 Cb 1.05 -1.89 -0.14 0.00 -1.74 0.00 0.00 39.64 36.92 1aje n ILE 101 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1aje h THR 102 N -0.97 0.81 0.00 7.28 1.35 -0.32 2.47 112.91 123.53 1aje h THR 102 Ca -0.66 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 62.75 1aje h THR 102 Cb 1.59 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.66 1aje h THR 102 CO -0.39 0.87 0.10 0.45 -0.25 0.00 0.00 175.52 176.30 1aje h HIS 103 N 0.09 0.00 0.00 4.73 3.86 -1.58 -1.95 115.15 120.30 1aje h HIS 103 Ca -0.37 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.82 1aje h HIS 103 Cb 2.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.54 1aje h HIS 103 CO 0.09 0.00 -0.59 0.72 0.86 0.00 0.00 177.93 179.01 1aje n HIS 104 N -2.82 0.00 -3.49 2.45 8.25 -1.20 -4.85 115.22 113.55 1aje n HIS 104 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 1aje n HIS 104 Cb 0.15 -0.27 -0.08 0.00 1.12 0.00 0.00 29.99 30.91 1aje n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aje h PRO 106 N 4.49 0.00 0.00 0.00 0.13 -1.31 -3.24 132.00 132.07 1aje h PRO 106 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1aje h PRO 106 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1aje h PRO 106 CO 0.84 0.27 0.00 1.63 -0.23 0.00 0.00 178.00 180.51 1aje n LYS 107 N -3.11 0.31 -0.56 0.86 4.76 -1.26 -4.81 118.16 114.35 1aje n LYS 107 Ca 0.02 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1aje n LYS 107 Cb 0.66 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 1aje n LYS 107 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1aje n THR 108 N -1.34 0.00 -2.83 -0.18 -1.04 -1.22 -5.06 114.28 102.60 1aje n THR 108 Ca 0.12 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.74 1aje n THR 108 Cb 0.26 -1.45 -0.06 0.00 -1.82 0.00 0.00 70.33 67.26 1aje n THR 108 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1aje s PRO 109 N -2.48 4.65 -0.09 -2.82 0.04 -1.26 -5.00 135.00 128.04 1aje s PRO 109 Ca 0.01 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1aje s PRO 109 Cb -0.00 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.53 1aje s PRO 109 CO 0.00 0.41 -0.04 0.12 0.04 0.00 0.00 177.00 177.54 1aje s PHE 110 N -1.39 1.07 -0.12 0.56 2.19 -1.26 -1.95 117.98 117.06 1aje s PHE 110 Ca 0.44 -0.45 -0.00 0.00 0.33 0.00 0.00 56.93 57.25 1aje s PHE 110 Cb -0.22 -1.01 0.03 0.00 -1.31 0.00 0.00 43.02 40.51 1aje s PHE 110 CO 0.27 -0.42 -0.09 -0.51 1.83 0.00 0.00 175.22 176.30 1aje s LEU 111 N 1.84 1.32 -0.60 6.12 1.43 -0.67 0.29 118.68 128.41 1aje s LEU 111 Ca 0.05 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 1aje s LEU 111 Cb -0.12 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.23 1aje s LEU 111 CO -0.07 -0.11 0.99 -0.22 0.23 0.00 0.00 176.35 177.17 1aje s LEU 112 N 1.66 4.07 -0.14 1.79 2.96 0.63 -1.69 118.68 127.95 1aje s LEU 112 Ca 0.05 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1aje s LEU 112 Cb -0.13 -2.69 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 1aje s LEU 112 CO -0.09 -1.36 -0.17 -0.69 -1.32 0.00 0.00 176.35 172.72 1aje s VAL 113 N 4.20 2.54 0.60 1.68 1.01 -1.07 -0.17 120.40 129.20 1aje s VAL 113 Ca 0.29 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1aje s VAL 113 Cb -0.13 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1aje s VAL 113 CO 0.16 0.53 1.11 -0.83 0.00 0.00 0.00 175.10 176.07 1aje s GLY 114 N 0.70 2.33 0.16 4.51 0.00 0.20 -0.57 107.32 114.66 1aje s GLY 114 Ca -0.08 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.28 1aje s GLY 114 CO 0.01 0.97 -0.01 -1.08 0.00 0.00 0.00 173.10 173.00 1aje s THR 115 N -2.15 0.68 -1.39 0.90 -1.32 -1.26 -2.91 115.64 108.19 1aje s THR 115 Ca 0.68 -1.98 -0.04 0.00 -1.21 0.00 0.00 61.69 59.15 1aje s THR 115 Cb -0.21 -2.07 0.02 0.00 -1.51 0.00 0.00 72.50 68.74 1aje s THR 115 CO 0.35 -0.52 0.70 0.00 -2.21 0.00 0.00 174.62 172.94 1aje n GLN 116 N -0.22 -4.61 0.00 7.08 3.00 -1.26 -4.17 117.38 117.21 1aje n GLN 116 Ca -0.07 0.56 0.15 0.00 -0.01 0.00 0.00 57.00 57.62 1aje n GLN 116 Cb 0.63 -5.09 0.76 0.00 0.00 0.00 0.00 30.24 26.53 1aje n GLN 116 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1aje n ILE 117 N -4.39 0.00 0.61 5.09 -0.00 -1.26 -3.23 119.36 116.18 1aje n ILE 117 Ca -0.22 -0.03 0.08 0.00 -0.00 0.00 0.00 62.75 62.59 1aje n ILE 117 Cb 0.64 -0.33 0.37 0.00 -0.00 0.00 0.00 39.64 40.33 1aje n ILE 117 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1aje n ASP 118 N -1.04 0.00 0.00 4.38 -0.08 -1.26 -2.98 116.55 115.57 1aje n ASP 118 Ca 0.17 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.93 1aje n ASP 118 Cb 0.22 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.19 1aje n ASP 118 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1aje n LEU 119 N -1.49 0.00 0.05 -2.67 7.99 -1.22 -4.64 117.00 115.02 1aje n LEU 119 Ca 0.04 -0.20 0.22 0.00 -0.01 0.00 0.00 56.01 56.06 1aje n LEU 119 Cb 0.20 0.00 0.69 0.00 -0.11 0.00 0.00 43.42 44.20 1aje n LEU 119 CO 0.16 0.00 1.19 -0.09 -1.51 0.00 0.00 177.39 177.14 1aje h ARG 120 N 0.00 0.00 -0.03 3.23 2.43 -1.50 2.16 114.38 120.67 1aje h ARG 120 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1aje h ARG 120 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1aje h ARG 120 CO 0.00 0.00 -0.02 -0.25 -1.51 0.00 0.00 179.97 178.19 1aje n ASP 121 N -3.58 2.71 -4.67 -3.80 8.00 -1.26 -4.81 116.55 109.14 1aje n ASP 121 Ca 0.10 -1.85 -0.23 0.00 0.71 0.00 0.00 54.79 53.51 1aje n ASP 121 Cb 0.78 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.83 1aje n ASP 121 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1aje s ASP 122 N -1.77 4.55 0.26 -2.24 1.01 0.73 -4.98 116.67 114.24 1aje s ASP 122 Ca 0.24 -0.70 0.21 0.00 0.71 0.00 0.00 52.55 53.01 1aje s ASP 122 Cb 0.17 -0.80 0.99 0.00 1.01 0.00 0.00 42.92 44.30 1aje s ASP 122 CO 0.27 -0.09 1.64 -0.81 0.21 0.00 0.00 175.17 176.40 1aje n PRO 123 N -0.96 0.15 -0.23 8.23 -0.04 -1.26 -2.44 135.00 138.45 1aje n PRO 123 Ca -0.05 0.51 -0.03 0.00 -0.04 0.00 0.00 63.50 63.88 1aje n PRO 123 Cb 0.60 -1.87 0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1aje n PRO 123 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1aje h SER 124 N 0.00 0.64 -0.49 3.54 0.87 -1.94 -2.23 113.55 113.94 1aje h SER 124 Ca 0.00 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1aje h SER 124 Cb 0.19 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1aje h SER 124 CO 0.00 0.44 0.14 0.74 -0.53 0.00 0.00 176.83 177.62 1aje h THR 125 N 0.77 1.23 -0.94 2.23 2.02 -1.46 -3.02 112.91 113.75 1aje h THR 125 Ca 0.27 -0.79 0.32 0.00 0.77 0.00 0.00 66.41 66.98 1aje h THR 125 Cb 0.05 0.81 -0.17 0.00 -1.74 0.00 0.00 68.15 67.10 1aje h THR 125 CO -0.12 0.29 0.24 -0.38 0.37 0.00 0.00 175.52 175.92 1aje n ILE 126 N -4.49 -0.39 0.13 3.11 2.08 -0.84 0.23 119.36 119.18 1aje n ILE 126 Ca 0.01 1.99 0.19 0.00 0.56 0.00 0.00 62.75 65.50 1aje n ILE 126 Cb 0.20 -3.05 0.77 0.00 -0.75 0.00 0.00 39.64 36.81 1aje n ILE 126 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1aje h GLU 127 N 0.00 0.00 -1.03 0.38 5.08 -1.56 2.21 114.58 119.67 1aje h GLU 127 Ca 0.67 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 59.30 1aje h GLU 127 Cb 1.59 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.72 1aje h GLU 127 CO -0.81 0.00 0.62 1.57 -1.00 0.00 0.00 179.01 179.39 1aje h LYS 128 N 0.00 0.45 0.00 2.33 -0.00 0.27 -3.38 116.57 116.25 1aje h LYS 128 Ca 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.78 1aje h LYS 128 Cb 0.85 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.98 1aje h LYS 128 CO -0.00 0.30 0.00 1.28 -0.00 0.00 0.00 179.45 181.03 1aje n LEU 129 N -4.83 0.00 -2.03 7.07 4.32 -0.13 -4.81 117.00 116.59 1aje n LEU 129 Ca 0.28 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.23 1aje n LEU 129 Cb 0.85 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.65 1aje n LEU 129 CO 0.18 0.00 -0.05 0.00 -1.22 0.00 0.00 177.39 176.30 1aje n ALA 130 N -1.31 -0.64 0.09 -1.18 0.00 0.73 -4.65 120.51 113.55 1aje n ALA 130 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 1aje n ALA 130 Cb 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 19.45 18.74 1aje n ALA 130 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1aje h LYS 131 N 0.00 0.19 -0.24 0.00 1.79 -1.89 -2.76 116.57 113.66 1aje h LYS 131 Ca -0.09 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1aje h LYS 131 Cb 0.81 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1aje h LYS 131 CO 0.12 0.86 0.00 0.09 -1.08 0.00 0.00 179.45 179.43 1aje n ASN 132 N -3.74 3.52 -2.44 0.86 3.02 -1.26 -4.93 115.26 110.29 1aje n ASN 132 Ca -0.03 -2.85 -0.07 0.00 -0.03 0.00 0.00 54.58 51.60 1aje n ASN 132 Cb 0.72 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1aje n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1aje n LYS 133 N -0.46 -2.53 -0.34 3.52 4.76 -1.04 -4.58 118.16 117.49 1aje n LYS 133 Ca 0.19 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1aje n LYS 133 Cb 0.78 -4.88 0.00 0.00 -1.84 0.00 0.00 35.03 29.08 1aje n LYS 133 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1aje n GLN 134 N -2.64 -0.08 -1.52 1.97 1.13 -1.26 -5.02 117.38 109.95 1aje n GLN 134 Ca -0.08 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1aje n GLN 134 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.90 1aje n GLN 134 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1aje n LYS 135 N 0.00 -0.03 -1.75 -1.09 4.76 -1.26 -4.86 118.16 113.93 1aje n LYS 135 Ca 0.00 0.52 -0.30 0.00 -2.87 0.00 0.00 58.31 55.66 1aje n LYS 135 Cb 0.00 -1.56 0.17 0.00 -1.84 0.00 0.00 35.03 31.80 1aje n LYS 135 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1aje s PRO 136 N -2.09 0.70 0.32 1.97 0.04 -1.26 -4.35 135.00 130.34 1aje s PRO 136 Ca 0.00 -0.16 -0.26 0.00 0.04 0.00 0.00 61.00 60.62 1aje s PRO 136 Cb -0.00 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.57 1aje s PRO 136 CO 0.01 -2.41 0.78 -0.89 0.04 0.00 0.00 177.00 174.53 1aje n ILE 137 N -3.82 1.96 -2.52 0.56 -0.00 -0.45 -4.92 119.36 110.17 1aje n ILE 137 Ca 0.12 -0.50 -0.22 0.00 -0.00 0.00 0.00 62.75 62.15 1aje n ILE 137 Cb 0.60 -0.69 0.05 0.00 -0.00 0.00 0.00 39.64 39.60 1aje n ILE 137 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1aje s THR 138 N -1.19 2.52 -0.84 1.39 2.01 -1.26 -4.93 115.64 113.34 1aje s THR 138 Ca 0.61 -0.56 0.17 0.00 0.31 0.00 0.00 61.69 62.23 1aje s THR 138 Cb -0.70 -2.97 0.16 0.00 0.01 0.00 0.00 72.50 69.00 1aje s THR 138 CO 0.58 0.00 1.53 -0.81 -0.69 0.00 0.00 174.62 175.24 1aje n PRO 139 N -2.53 0.06 -0.03 4.92 -0.04 -1.26 -2.59 135.00 133.52 1aje n PRO 139 Ca 0.09 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 63.87 1aje n PRO 139 Cb 0.60 -1.62 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 1aje n PRO 139 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1aje n GLU 140 N -1.73 1.06 0.30 0.54 0.28 -1.26 -4.34 120.64 115.49 1aje n GLU 140 Ca 0.03 -0.08 -0.15 0.00 -0.16 0.00 0.00 57.16 56.81 1aje n GLU 140 Cb 0.18 -1.34 -0.08 0.00 1.43 0.00 0.00 31.44 31.64 1aje n GLU 140 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1aje h THR 141 N 0.00 0.27 -0.15 3.84 2.02 -1.87 0.47 112.91 117.48 1aje h THR 141 Ca -0.16 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 66.73 1aje h THR 141 Cb 1.15 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 1aje h THR 141 CO 0.01 0.04 -0.27 0.00 0.37 0.00 0.00 175.52 175.66 1aje h ALA 142 N -0.83 -0.26 -0.00 6.16 0.00 -1.79 0.68 119.26 123.22 1aje h ALA 142 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1aje h ALA 142 Cb 0.66 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1aje h ALA 142 CO 0.13 -0.73 0.00 0.93 0.00 0.00 0.00 179.25 179.59 1aje h GLU 143 N -0.33 0.00 -0.70 0.00 5.08 -1.74 0.45 114.58 117.33 1aje h GLU 143 Ca 0.11 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1aje h GLU 143 Cb 0.49 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 1aje h GLU 143 CO -0.34 0.00 0.23 -0.22 -1.00 0.00 0.00 179.01 177.68 1aje h LYS 144 N 0.00 0.36 0.00 2.33 1.63 0.53 -1.60 116.57 119.82 1aje h LYS 144 Ca 0.00 -0.02 -0.28 0.00 -0.85 0.00 0.00 60.65 59.51 1aje h LYS 144 Cb 0.01 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 1aje h LYS 144 CO -0.00 0.24 -1.97 1.47 -3.45 0.00 0.00 179.45 175.73 1aje n LEU 145 N -5.06 0.41 0.19 5.20 -0.00 -0.56 -3.78 117.00 113.40 1aje n LEU 145 Ca 0.13 0.19 0.13 0.00 -0.00 0.00 0.00 56.01 56.46 1aje n LEU 145 Cb 0.39 0.28 0.67 0.00 -0.00 0.00 0.00 43.42 44.76 1aje n LEU 145 CO 0.17 0.35 0.89 0.00 -0.00 0.00 0.00 177.39 178.81 1aje h ALA 146 N 1.17 1.00 0.00 1.47 0.00 -0.63 2.40 119.26 124.67 1aje h ALA 146 Ca -0.35 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 1aje h ALA 146 Cb 1.94 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 1aje h ALA 146 CO 0.04 0.00 -0.87 0.00 0.00 0.00 0.00 179.25 178.43 1aje h ARG 147 N 0.00 0.00 0.00 0.00 3.08 -1.41 1.06 114.38 117.11 1aje h ARG 147 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1aje h ARG 147 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1aje h ARG 147 CO 0.00 0.71 -0.35 0.22 -1.07 0.00 0.00 179.97 179.49 1aje h ASP 148 N 0.00 0.00 0.00 7.04 1.82 0.39 -3.34 116.42 122.33 1aje h ASP 148 Ca -0.04 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.47 1aje h ASP 148 Cb 1.61 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.60 1aje h ASP 148 CO 0.09 0.35 -1.52 0.18 -1.61 0.00 0.00 179.24 176.73 1aje n LEU 149 N -3.41 2.19 -3.37 2.28 4.77 -0.31 -5.02 117.00 114.12 1aje n LEU 149 Ca 0.00 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.78 1aje n LEU 149 Cb 0.53 -0.19 0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1aje n LEU 149 CO 0.36 0.53 0.10 0.29 -1.33 0.00 0.00 177.39 177.34 1aje n LYS 150 N -2.64 -6.08 0.00 3.23 4.76 0.36 -4.97 118.16 112.83 1aje n LYS 150 Ca -0.15 0.84 0.00 0.00 -2.87 0.00 0.00 58.31 56.13 1aje n LYS 150 Cb 0.69 -5.81 0.00 0.00 -1.84 0.00 0.00 35.03 28.07 1aje n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aje n ALA 151 N -3.99 0.00 -0.04 7.82 0.00 -1.26 -4.90 120.51 118.15 1aje n ALA 151 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 52.98 1aje n ALA 151 Cb 0.66 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.98 1aje n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aje n VAL 152 N -0.26 1.68 -3.62 0.00 0.31 0.83 -4.88 118.33 112.39 1aje n VAL 152 Ca 0.00 -0.65 -0.12 0.00 -0.01 0.00 0.00 64.34 63.56 1aje n VAL 152 Cb 0.00 -1.56 -0.07 0.00 -0.91 0.00 0.00 33.84 31.30 1aje n VAL 152 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1aje s LYS 153 N -2.55 0.73 -0.09 5.55 2.36 -1.06 -5.01 119.74 119.67 1aje s LYS 153 Ca -0.25 0.72 0.04 0.00 -2.55 0.00 0.00 55.97 53.93 1aje s LYS 153 Cb 0.07 0.35 -0.00 0.00 -1.05 0.00 0.00 37.83 37.20 1aje s LYS 153 CO 0.73 -0.12 -0.24 -0.47 1.55 0.00 0.00 175.35 176.80 1aje s TYR 154 N 0.05 2.51 0.05 4.03 5.04 -1.26 -0.27 117.35 127.51 1aje s TYR 154 Ca -0.00 -1.00 -0.01 0.00 -2.44 0.00 0.00 57.07 53.62 1aje s TYR 154 Cb -0.04 -1.68 0.00 0.00 0.35 0.00 0.00 41.96 40.59 1aje s TYR 154 CO -0.01 -0.39 0.07 1.33 -1.34 0.00 0.00 175.55 175.21 1aje n VAL 155 N 3.47 0.00 -3.75 3.14 0.24 0.75 -4.98 118.33 117.20 1aje n VAL 155 Ca -0.19 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 61.77 1aje n VAL 155 Cb 0.53 0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 32.96 1aje n VAL 155 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1aje s GLU 156 N -2.09 0.75 0.00 7.34 -1.05 -1.26 0.61 118.70 123.00 1aje s GLU 156 Ca 0.03 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.53 1aje s GLU 156 Cb -0.00 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1aje s GLU 156 CO 0.03 -0.22 0.00 0.00 0.95 0.00 0.00 175.26 176.01 1aje n SER 158 N 0.00 0.00 0.00 0.00 7.64 -1.26 -4.43 113.62 115.56 1aje n SER 158 Ca 0.00 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1aje n SER 158 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1aje n SER 158 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aje n ALA 159 N 2.35 0.00 0.02 -0.43 0.00 -1.26 -3.37 120.51 117.82 1aje n ALA 159 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1aje n ALA 159 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1aje n ALA 159 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1aje n LEU 160 N 0.00 0.65 0.36 0.00 -0.00 -1.26 -4.45 117.00 112.30 1aje n LEU 160 Ca 0.00 0.28 -0.17 0.00 -0.00 0.00 0.00 56.01 56.12 1aje n LEU 160 Cb 0.00 0.09 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 1aje n LEU 160 CO 0.00 0.10 0.53 0.74 -0.00 0.00 0.00 177.39 178.76 1aje h THR 161 N 0.00 0.00 -1.72 1.47 2.02 -1.88 -3.48 112.91 109.32 1aje h THR 161 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1aje h THR 161 Cb 1.47 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1aje h THR 161 CO 0.03 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.92 1aje n GLN 162 N -5.07 0.00 -0.00 6.66 3.00 -1.26 -5.00 117.38 115.71 1aje n GLN 162 Ca -0.12 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 56.95 1aje n GLN 162 Cb 0.43 -1.58 -0.11 0.00 0.00 0.00 0.00 30.24 28.97 1aje n GLN 162 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1aje n LYS 163 N -0.86 0.92 0.00 -1.09 2.85 -1.26 -4.85 118.16 113.87 1aje n LYS 163 Ca 0.00 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1aje n LYS 163 Cb 0.37 -1.38 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 1aje n LYS 163 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aje n GLY 164 N 1.43 0.00 0.25 2.58 0.00 -0.64 -4.78 105.19 104.03 1aje n GLY 164 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1aje n GLY 164 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1aje n LEU 165 N 0.00 1.28 0.05 0.99 -0.00 -1.25 -3.46 117.00 114.60 1aje n LEU 165 Ca 0.00 -0.74 0.11 0.00 -0.00 0.00 0.00 56.01 55.38 1aje n LEU 165 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1aje n LEU 165 CO 0.00 0.25 -0.06 1.17 -0.00 0.00 0.00 177.39 178.76 1aje n LYS 166 N -0.31 0.43 0.04 1.47 4.81 -1.26 -2.44 118.16 120.90 1aje n LYS 166 Ca 0.05 0.02 -0.21 0.00 -0.87 0.00 0.00 58.31 57.29 1aje n LYS 166 Cb 0.25 -1.66 -0.14 0.00 0.02 0.00 0.00 35.03 33.49 1aje n LYS 166 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1aje h ASN 167 N 0.00 0.49 -0.39 3.14 7.08 -1.97 -2.76 115.58 121.17 1aje h ASN 167 Ca 0.00 -0.86 0.07 0.00 -3.08 0.00 0.00 56.30 52.43 1aje h ASN 167 Cb 0.85 -0.16 -0.06 0.00 -2.08 0.00 0.00 38.32 36.86 1aje h ASN 167 CO 0.00 1.75 -0.00 1.62 -2.08 0.00 0.00 177.43 178.72 1aje h VAL 168 N 0.09 0.71 -0.44 6.14 3.04 -1.64 0.93 116.25 125.08 1aje h VAL 168 Ca -0.36 -0.04 0.09 0.00 -1.01 0.00 0.00 66.70 65.38 1aje h VAL 168 Cb 2.06 0.60 -0.09 0.00 -2.01 0.00 0.00 31.29 31.85 1aje h VAL 168 CO 0.14 0.02 -0.20 -0.26 -1.01 0.00 0.00 177.57 176.26 1aje h PHE 169 N 0.10 -0.50 -0.48 3.17 0.04 -1.50 2.63 116.94 120.41 1aje h PHE 169 Ca 0.19 0.05 0.06 0.00 2.80 0.00 0.00 57.97 61.07 1aje h PHE 169 Cb 0.27 0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 1aje h PHE 169 CO -0.26 -0.28 0.32 -0.44 -0.60 0.00 0.00 178.31 177.05 1aje h ASP 170 N -0.11 0.34 0.21 2.17 5.19 -0.11 -1.73 116.42 122.38 1aje h ASP 170 Ca 0.21 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1aje h ASP 170 Cb 0.44 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1aje h ASP 170 CO -0.51 0.22 -0.10 -0.33 -3.12 0.00 0.00 179.24 175.40 1aje h GLU 171 N 0.39 -0.27 -0.82 3.56 5.08 1.02 1.15 114.58 124.70 1aje h GLU 171 Ca 0.21 0.02 0.34 0.00 -1.00 0.00 0.00 59.36 58.93 1aje h GLU 171 Cb 0.34 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.50 1aje h GLU 171 CO -0.05 -0.18 0.41 0.00 -1.00 0.00 0.00 179.01 178.19 1aje n ALA 172 N -2.32 0.81 0.09 3.43 0.00 0.73 0.25 120.51 123.52 1aje n ALA 172 Ca -0.03 0.84 -0.22 0.00 0.00 0.00 0.00 53.44 54.03 1aje n ALA 172 Cb 0.11 -0.82 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 1aje n ALA 172 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1aje h ILE 173 N 0.00 1.42 0.00 0.00 5.03 -1.29 -0.36 117.51 122.31 1aje h ILE 173 Ca 0.68 -2.61 0.00 0.00 -0.12 0.00 0.00 64.86 62.82 1aje h ILE 173 Cb 1.79 3.14 0.00 0.00 -3.03 0.00 0.00 36.82 38.72 1aje h ILE 173 CO -0.65 0.76 0.00 0.25 -0.68 0.00 0.00 178.15 177.83 1aje h LEU 174 N -0.15 0.00 0.00 1.44 7.12 1.27 0.84 115.31 125.83 1aje h LEU 174 Ca -0.19 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.82 1aje h LEU 174 Cb 1.87 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.00 1aje h LEU 174 CO 0.21 0.00 -1.71 0.00 -0.13 0.00 0.00 178.44 176.81 1aje n ALA 175 N -1.81 2.76 -0.24 1.25 0.00 0.71 -3.87 120.51 119.30 1aje n ALA 175 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.07 1aje n ALA 175 Cb 0.14 -0.85 0.19 0.00 0.00 0.00 0.00 19.45 18.93 1aje n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aje n ALA 176 N -2.22 2.25 -0.08 0.00 0.00 0.16 -4.08 120.51 116.53 1aje n ALA 176 Ca -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1aje n ALA 176 Cb 0.56 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1aje n ALA 176 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1aje n LEU 177 N 0.72 0.18 0.00 0.00 -0.00 0.24 -4.71 117.00 113.43 1aje n LEU 177 Ca 0.15 -0.43 0.00 0.00 -0.00 0.00 0.00 56.01 55.73 1aje n LEU 177 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1aje n LEU 177 CO 0.10 0.04 0.00 -0.62 -0.00 0.00 0.00 177.39 176.92 1aje n GLU 178 N -0.50 0.00 -2.68 1.47 1.02 -1.25 -4.80 120.64 113.90 1aje n GLU 178 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1aje n GLU 178 Cb 0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.39 1aje n GLU 178 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1aje s PRO 179 N 0.00 4.63 -0.01 3.49 0.04 -1.26 -5.01 135.00 136.88 1aje s PRO 179 Ca 0.00 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1aje s PRO 179 Cb 0.00 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 1aje s PRO 179 CO 0.00 0.29 1.20 -1.25 0.04 0.00 0.00 177.00 177.28 1aje s PRO 180 N -1.71 4.39 -0.78 0.56 0.04 -1.26 -4.98 135.00 131.26 1aje s PRO 180 Ca 0.47 1.71 0.02 0.00 0.04 0.00 0.00 61.00 63.25 1aje s PRO 180 Cb -0.24 -3.48 0.22 0.00 0.04 0.00 0.00 34.50 31.04 1aje s PRO 180 CO 0.30 -0.37 0.74 0.39 0.04 0.00 0.00 177.00 178.11 1aje n GLU 181 N 4.68 2.50 -1.59 4.56 1.02 -1.26 -4.95 120.64 125.60 1aje n GLU 181 Ca 0.10 -4.55 -0.41 0.00 -0.02 0.00 0.00 57.16 52.29 1aje n GLU 181 Cb 0.46 -2.34 -0.01 0.00 -0.02 0.00 0.00 31.44 29.53 1aje n GLU 181 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1aje n PRO 182 N 1.70 3.39 -4.05 3.49 -0.04 -1.26 -4.93 135.00 133.30 1aje n PRO 182 Ca 0.24 -2.52 -0.29 0.00 -0.04 0.00 0.00 63.50 60.88 1aje n PRO 182 Cb 0.37 -3.01 -0.06 0.00 -0.04 0.00 0.00 33.50 30.76 1aje n PRO 182 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1aje s LYS 183 N 2.31 2.94 -0.00 0.54 -2.85 -1.26 -5.12 119.74 116.29 1aje s LYS 183 Ca 0.57 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.82 1aje s LYS 183 Cb 0.16 -2.73 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 1aje s LYS 183 CO -0.07 0.54 -0.00 0.21 0.10 0.00 0.00 175.35 176.13 1aje s LYS 184 N -2.64 0.05 0.57 1.78 2.20 -1.26 -5.13 119.74 115.31 1aje s LYS 184 Ca 0.30 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.72 1aje s LYS 184 Cb -0.12 -0.07 -0.08 0.00 -1.51 0.00 0.00 37.83 36.06 1aje s LYS 184 CO 0.23 -0.00 0.63 0.43 -0.36 0.00 0.00 175.35 176.27 1aje n SER 185 N 3.15 -0.61 -4.56 1.43 7.64 -1.26 -4.83 113.62 114.57 1aje n SER 185 Ca -0.13 0.76 -0.42 0.00 1.01 0.00 0.00 58.87 60.09 1aje n SER 185 Cb 0.59 -1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 1aje n SER 185 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1aje s ARG 186 N -2.20 3.36 0.00 1.43 3.52 -1.26 -5.34 118.95 118.46 1aje s ARG 186 Ca 0.70 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.31 1aje s ARG 186 Cb -0.45 -4.09 0.00 0.00 -1.56 0.00 0.00 34.95 28.85 1aje s ARG 186 CO 0.53 -1.90 0.00 2.89 -0.81 0.00 0.00 175.30 176.01