#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6a s LYS 2 N 0.00 2.89 0.29 3.17 1.02 -1.26 -1.20 119.74 124.65 2j6a s LYS 2 Ca 0.00 2.12 0.04 0.00 0.02 0.00 0.00 55.97 58.15 2j6a s LYS 2 Cb 0.00 -2.06 0.73 0.00 -0.52 0.00 0.00 37.83 35.98 2j6a s LYS 2 CO 0.00 -1.35 1.73 0.35 -0.92 0.00 0.00 175.35 175.15 2j6a h PHE 3 N 1.04 0.80 -0.98 3.18 3.57 -0.83 -1.24 116.94 122.48 2j6a h PHE 3 Ca -0.51 0.04 0.23 0.00 3.53 0.00 0.00 57.97 61.26 2j6a h PHE 3 Cb 1.31 -0.21 -0.12 0.00 2.79 0.00 0.00 35.95 39.72 2j6a h PHE 3 CO 0.44 0.05 0.56 1.25 -2.23 0.00 0.00 178.31 178.38 2j6a h LEU 4 N 0.52 0.64 -1.67 0.59 5.85 -1.53 -1.31 115.31 118.41 2j6a h LEU 4 Ca 0.56 0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.47 2j6a h LEU 4 Cb 1.00 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2j6a h LEU 4 CO -0.47 0.13 0.31 0.74 -0.34 0.00 0.00 178.44 178.81 2j6a h THR 5 N 0.59 0.98 0.00 1.05 2.02 -1.51 -0.49 112.91 115.55 2j6a h THR 5 Ca 0.61 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.65 2j6a h THR 5 Cb 1.11 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2j6a h THR 5 CO -0.46 0.08 -0.00 0.71 0.37 0.00 0.00 175.52 176.21 2j6a h THR 6 N 0.42 0.07 0.00 3.16 1.35 -1.34 -0.10 112.91 116.47 2j6a h THR 6 Ca 0.20 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 2j6a h THR 6 Cb 0.27 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2j6a h THR 6 CO -0.05 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 172.02 2j6a n ASN 7 N -3.18 0.00 0.00 5.36 2.85 -0.19 -3.86 115.26 116.23 2j6a n ASN 7 Ca -0.03 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 2j6a n ASN 7 Cb 0.08 -0.34 0.00 0.00 1.24 0.00 0.00 39.78 40.76 2j6a n ASN 7 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2j6a n PHE 8 N -1.34 0.00 -3.58 1.20 3.72 -0.07 -4.76 117.46 112.63 2j6a n PHE 8 Ca 0.12 -0.11 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2j6a n PHE 8 Cb 0.25 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.66 2j6a n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2j6a s LEU 9 N -0.23 4.10 0.29 4.37 1.43 -1.08 -4.87 118.68 122.70 2j6a s LEU 9 Ca 0.00 -0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.12 2j6a s LEU 9 Cb 0.00 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2j6a s LEU 9 CO 0.00 -0.08 -0.13 -1.59 0.23 0.00 0.00 176.35 174.77 2j6a s LYS 10 N 1.75 1.85 0.23 1.70 -2.85 -1.26 -4.07 119.74 117.09 2j6a s LYS 10 Ca 0.07 -1.71 -0.31 0.00 -1.00 0.00 0.00 55.97 53.01 2j6a s LYS 10 Cb -0.16 -1.86 -0.14 0.00 -2.06 0.00 0.00 37.83 33.61 2j6a s LYS 10 CO 0.11 0.30 1.28 0.00 0.10 0.00 0.00 175.35 177.14 2j6a n SER 12 N 1.92 0.41 -4.65 0.00 3.41 -1.26 -4.77 113.62 108.68 2j6a n SER 12 Ca 0.12 -0.27 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 2j6a n SER 12 Cb 0.30 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 2j6a n SER 12 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2j6a s VAL 13 N -2.72 4.09 0.41 -3.33 1.01 -1.26 -4.91 120.40 113.69 2j6a s VAL 13 Ca 0.21 1.29 0.09 0.00 0.00 0.00 0.00 61.98 63.58 2j6a s VAL 13 Cb 0.19 -3.92 0.29 0.00 0.00 0.00 0.00 36.38 32.94 2j6a s VAL 13 CO 0.54 -0.21 2.02 0.11 0.00 0.00 0.00 175.10 177.56 2j6a h LYS 14 N 8.89 0.51 0.00 2.72 6.56 -2.03 -0.42 116.57 132.80 2j6a h LYS 14 Ca -0.29 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.27 2j6a h LYS 14 Cb 1.12 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.66 2j6a h LYS 14 CO 0.98 0.33 -0.00 0.00 -2.06 0.00 0.00 179.45 178.70 2j6a h ALA 15 N 1.71 1.48 0.00 3.86 0.00 -1.97 -2.21 119.26 122.14 2j6a h ALA 15 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2j6a h ALA 15 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2j6a h ALA 15 CO -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.08 2j6a h ASP 17 N 0.00 0.35 0.45 0.00 5.19 -1.47 -0.09 116.42 120.86 2j6a h ASP 17 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2j6a h ASP 17 Cb 0.71 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.20 2j6a h ASP 17 CO 0.00 0.12 -0.17 0.35 -3.12 0.00 0.00 179.24 176.42 2j6a n THR 18 N -4.50 0.00 -3.02 0.35 -2.24 -1.26 -4.86 114.28 98.75 2j6a n THR 18 Ca 0.21 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.55 2j6a n THR 18 Cb 0.80 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 2j6a n THR 18 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2j6a s SER 19 N -2.62 7.33 0.00 3.42 0.15 -0.05 -4.95 113.70 116.98 2j6a s SER 19 Ca 0.24 1.59 0.18 0.00 0.70 0.00 0.00 55.95 58.66 2j6a s SER 19 Cb 0.19 -2.48 0.76 0.00 -1.71 0.00 0.00 66.02 62.79 2j6a s SER 19 CO 0.52 0.20 1.57 0.59 1.20 0.00 0.00 173.24 177.32 2j6a n ASN 20 N 1.52 0.00 -1.38 5.45 3.02 -1.26 -3.40 115.26 119.20 2j6a n ASN 20 Ca -0.06 0.49 0.09 0.00 -0.03 0.00 0.00 54.58 55.08 2j6a n ASN 20 Cb 0.49 -0.49 0.32 0.00 -0.61 0.00 0.00 39.78 39.49 2j6a n ASN 20 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2j6a n ASP 21 N -1.49 4.32 -0.08 6.41 8.00 -1.26 -4.39 116.55 128.05 2j6a n ASP 21 Ca 0.04 -2.33 0.15 0.00 0.71 0.00 0.00 54.79 53.37 2j6a n ASP 21 Cb 0.21 -0.52 0.80 0.00 -0.02 0.00 0.00 41.12 41.59 2j6a n ASP 21 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2j6a n ASN 22 N 1.08 0.28 -3.64 -2.24 2.04 -1.22 -2.62 115.26 108.94 2j6a n ASN 22 Ca 0.24 -0.86 -0.09 0.00 -0.44 0.00 0.00 54.58 53.43 2j6a n ASN 22 Cb 0.78 -0.06 -0.07 0.00 -2.53 0.00 0.00 39.78 37.90 2j6a n ASN 22 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2j6a s PHE 23 N -2.17 -0.68 0.90 -2.53 2.19 -1.26 -1.52 117.98 112.91 2j6a s PHE 23 Ca 0.40 1.54 -0.13 0.00 0.33 0.00 0.00 56.93 59.07 2j6a s PHE 23 Cb 0.21 0.39 0.14 0.00 -1.31 0.00 0.00 43.02 42.45 2j6a s PHE 23 CO 0.40 -0.33 1.19 -1.25 1.83 0.00 0.00 175.22 177.05 2j6a s PRO 24 N 0.73 1.18 0.71 10.12 0.04 -1.26 -5.04 135.00 141.49 2j6a s PRO 24 Ca -0.02 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 60.97 2j6a s PRO 24 Cb -0.05 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.65 2j6a s PRO 24 CO -0.08 -2.13 1.07 -0.51 0.04 0.00 0.00 177.00 175.39 2j6a s LEU 25 N -5.91 2.98 -0.45 -3.56 1.43 -1.26 -4.67 118.68 107.25 2j6a s LEU 25 Ca 0.66 1.47 -0.17 0.00 -1.03 0.00 0.00 54.13 55.06 2j6a s LEU 25 Cb -0.11 -4.29 0.04 0.00 0.03 0.00 0.00 46.19 41.86 2j6a s LEU 25 CO 0.52 -1.51 0.43 -1.58 0.23 0.00 0.00 176.35 174.44 2j6a s GLN 26 N -5.12 3.04 0.01 1.70 0.74 0.43 -4.88 119.66 115.58 2j6a s GLN 26 Ca 0.58 -1.02 -0.27 0.00 0.05 0.00 0.00 55.36 54.70 2j6a s GLN 26 Cb -0.14 -4.04 -0.04 0.00 1.10 0.00 0.00 33.01 29.89 2j6a s GLN 26 CO 0.54 -0.95 0.87 0.71 -0.55 0.00 0.00 175.29 175.91 2j6a s TYR 27 N 1.97 3.68 -0.79 1.67 2.02 -1.26 -1.34 117.35 123.30 2j6a s TYR 27 Ca 0.09 1.56 -0.22 0.00 -0.37 0.00 0.00 57.07 58.13 2j6a s TYR 27 Cb -0.20 -2.97 0.08 0.00 -0.40 0.00 0.00 41.96 38.47 2j6a s TYR 27 CO 0.10 0.10 1.10 0.34 -1.57 0.00 0.00 175.55 175.63 2j6a s ASP 28 N 0.59 6.35 0.55 2.29 -1.08 -0.36 -4.86 116.67 120.15 2j6a s ASP 28 Ca 0.45 -1.31 0.31 0.00 -0.52 0.00 0.00 52.55 51.48 2j6a s ASP 28 Cb -0.20 -2.45 1.60 0.00 -1.46 0.00 0.00 42.92 40.41 2j6a s ASP 28 CO 0.25 -1.38 2.11 1.23 0.52 0.00 0.00 175.17 177.90 2j6a h GLY 29 N 11.42 0.00 2.00 2.66 0.00 -1.88 -0.51 103.07 116.76 2j6a h GLY 29 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2j6a h GLY 29 CO 1.20 0.00 -0.22 1.48 0.00 0.00 0.00 176.54 179.00 2j6a h SER 30 N 0.00 0.00 0.00 0.19 4.64 -1.90 -3.21 113.55 113.27 2j6a h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j6a h SER 30 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2j6a h SER 30 CO 0.01 0.22 -1.81 0.29 -0.87 0.00 0.00 176.83 174.67 2j6a n LYS 31 N -3.80 0.60 -2.79 4.77 5.02 -0.29 -4.96 118.16 116.71 2j6a n LYS 31 Ca -0.02 -0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 2j6a n LYS 31 Cb 0.32 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 2j6a n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j6a s GLN 33 N 3.10 4.10 -0.01 0.00 -0.21 0.64 -4.95 119.66 122.33 2j6a s GLN 33 Ca 0.39 0.10 -0.02 0.00 0.02 0.00 0.00 55.36 55.85 2j6a s GLN 33 Cb -0.14 -3.59 -0.04 0.00 1.00 0.00 0.00 33.01 30.24 2j6a s GLN 33 CO 0.09 -0.14 0.15 -0.51 -2.12 0.00 0.00 175.29 172.76 2j6a s LEU 34 N 1.63 4.21 0.03 2.90 1.43 -1.26 -0.67 118.68 126.95 2j6a s LEU 34 Ca 0.16 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2j6a s LEU 34 Cb -0.15 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2j6a s LEU 34 CO 0.08 0.27 -0.08 0.68 0.23 0.00 0.00 176.35 177.54 2j6a s VAL 35 N -1.27 0.58 -0.22 -1.59 -7.23 0.30 -4.90 120.40 106.08 2j6a s VAL 35 Ca 0.25 -0.90 -0.09 0.00 -1.81 0.00 0.00 61.98 59.43 2j6a s VAL 35 Cb -0.12 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 2j6a s VAL 35 CO 0.16 -0.24 0.12 -1.10 -0.31 0.00 0.00 175.10 173.73 2j6a s GLN 36 N -1.25 4.06 -0.54 4.82 -1.52 -1.26 -0.60 119.66 123.38 2j6a s GLN 36 Ca -0.06 -0.29 -0.08 0.00 -1.95 0.00 0.00 55.36 52.98 2j6a s GLN 36 Cb -0.08 -3.42 0.14 0.00 -0.22 0.00 0.00 33.01 29.43 2j6a s GLN 36 CO 0.00 0.16 0.40 0.34 -0.25 0.00 0.00 175.29 175.95 2j6a s ASP 37 N 0.73 5.73 0.00 5.90 -1.08 0.81 -4.93 116.67 123.83 2j6a s ASP 37 Ca 0.06 -2.16 0.30 0.00 -0.52 0.00 0.00 52.55 50.23 2j6a s ASP 37 Cb -0.13 -2.00 1.44 0.00 -1.46 0.00 0.00 42.92 40.77 2j6a s ASP 37 CO 0.02 -0.62 1.97 -0.62 0.52 0.00 0.00 175.17 176.43 2j6a n GLU 38 N 4.55 1.35 0.03 4.34 1.02 -1.26 -3.66 120.64 127.02 2j6a n GLU 38 Ca -0.03 -0.52 0.13 0.00 -0.02 0.00 0.00 57.16 56.73 2j6a n GLU 38 Cb 0.41 -1.49 0.54 0.00 -0.02 0.00 0.00 31.44 30.88 2j6a n GLU 38 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2j6a n SER 39 N -0.38 0.24 -4.66 1.62 3.41 -1.26 -4.75 113.62 107.84 2j6a n SER 39 Ca 0.21 0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 58.92 2j6a n SER 39 Cb 0.24 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 2j6a n SER 39 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2j6a s ILE 40 N -3.04 4.27 0.16 -1.33 1.01 -1.24 -4.99 121.20 116.05 2j6a s ILE 40 Ca 0.12 1.53 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 2j6a s ILE 40 Cb 0.16 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 2j6a s ILE 40 CO 0.53 -0.17 1.04 -0.70 0.00 0.00 0.00 174.94 175.63 2j6a s GLU 41 N 3.57 4.66 -0.07 2.79 2.12 -1.26 -5.00 118.70 125.50 2j6a s GLU 41 Ca 0.55 1.60 -0.30 0.00 0.36 0.00 0.00 54.97 57.18 2j6a s GLU 41 Cb -0.21 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 2j6a s GLU 41 CO 0.15 0.18 1.36 0.12 -0.54 0.00 0.00 175.26 176.52 2j6a s PHE 42 N -0.29 2.78 -0.27 5.30 5.36 -1.26 -5.00 117.98 124.60 2j6a s PHE 42 Ca 0.47 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 57.29 2j6a s PHE 42 Cb -0.27 -3.60 0.09 0.00 -0.34 0.00 0.00 43.02 38.89 2j6a s PHE 42 CO 0.33 -2.21 0.07 1.21 -1.46 0.00 0.00 175.22 173.16 2j6a s ASN 43 N 2.06 3.71 0.32 6.13 3.84 -1.26 -5.04 114.94 124.70 2j6a s ASN 43 Ca 0.61 -1.37 0.00 0.00 0.21 0.00 0.00 52.86 52.31 2j6a s ASN 43 Cb -0.27 -0.82 0.53 0.00 -0.55 0.00 0.00 41.25 40.13 2j6a s ASN 43 CO 0.22 -0.37 1.97 1.55 -2.79 0.00 0.00 177.10 177.69 2j6a h PRO 44 N 8.12 0.98 -0.19 0.43 0.13 -1.98 0.43 132.00 139.91 2j6a h PRO 44 Ca -0.15 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 2j6a h PRO 44 Cb 1.05 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2j6a h PRO 44 CO 0.43 0.65 0.10 0.93 -0.23 0.00 0.00 178.00 179.87 2j6a h GLU 45 N 1.01 0.27 -0.25 0.86 5.08 -1.99 0.19 114.58 119.76 2j6a h GLU 45 Ca 0.30 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2j6a h GLU 45 Cb -0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2j6a h GLU 45 CO -0.08 0.29 0.10 0.35 -1.00 0.00 0.00 179.01 178.67 2j6a h PHE 46 N 0.19 0.37 -0.68 4.33 3.57 -1.90 -2.24 116.94 120.59 2j6a h PHE 46 Ca 0.07 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2j6a h PHE 46 Cb 0.10 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2j6a h PHE 46 CO -0.03 0.39 0.29 1.25 -2.23 0.00 0.00 178.31 177.98 2j6a h LEU 47 N 0.25 0.91 -0.77 0.59 5.85 -0.73 -1.55 115.31 119.84 2j6a h LEU 47 Ca 0.08 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2j6a h LEU 47 Cb 0.18 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2j6a h LEU 47 CO -0.01 0.80 0.31 -0.07 -0.34 0.00 0.00 178.44 179.13 2j6a h LEU 48 N 0.98 1.07 -0.57 2.25 3.38 -0.39 0.20 115.31 122.23 2j6a h LEU 48 Ca 0.23 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2j6a h LEU 48 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2j6a h LEU 48 CO -0.02 0.96 0.38 0.78 0.09 0.00 0.00 178.44 180.62 2j6a h ASN 49 N 1.12 0.65 0.05 -0.43 2.35 -0.84 -1.96 115.58 116.52 2j6a h ASN 49 Ca 0.26 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2j6a h ASN 49 Cb 0.22 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2j6a h ASN 49 CO -0.02 0.47 -0.03 0.40 -1.65 0.00 0.00 177.43 176.61 2j6a h ILE 50 N 0.77 1.04 -0.73 2.81 2.04 -0.88 -2.85 117.51 119.71 2j6a h ILE 50 Ca 0.21 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2j6a h ILE 50 Cb -0.09 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2j6a h ILE 50 CO -0.04 0.08 0.48 0.58 0.00 0.00 0.00 178.15 179.25 2j6a h VAL 51 N -0.21 1.13 0.00 1.67 2.07 -0.88 -0.48 116.25 119.56 2j6a h VAL 51 Ca -0.01 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2j6a h VAL 51 Cb 0.18 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2j6a h VAL 51 CO 0.01 0.17 -0.13 -0.78 0.02 0.00 0.00 177.57 176.86 2j6a h ASP 52 N 0.92 0.00 1.00 0.57 3.58 -1.14 -3.14 116.42 118.21 2j6a h ASP 52 Ca 0.29 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.58 2j6a h ASP 52 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2j6a h ASP 52 CO -0.08 0.13 -1.07 -0.09 -2.88 0.00 0.00 179.24 175.26 2j6a h ARG 53 N 0.00 0.00 -7.04 0.28 2.43 -0.87 -3.48 114.38 105.70 2j6a h ARG 53 Ca -0.00 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.67 2j6a h ARG 53 Cb 0.24 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.84 2j6a h ARG 53 CO 0.02 0.42 0.44 0.14 -1.51 0.00 0.00 179.97 179.47 2j6a s VAL 54 N -2.91 3.33 -0.49 0.20 -7.23 -1.01 -4.54 120.40 107.74 2j6a s VAL 54 Ca -0.00 0.91 -0.26 0.00 -1.81 0.00 0.00 61.98 60.82 2j6a s VAL 54 Cb 0.08 -3.42 0.03 0.00 0.56 0.00 0.00 36.38 33.64 2j6a s VAL 54 CO 0.79 -0.10 1.01 -0.62 -0.31 0.00 0.00 175.10 175.87 2j6a s ASP 55 N -1.64 6.50 0.12 4.85 2.15 -1.26 -4.96 116.67 122.43 2j6a s ASP 55 Ca 0.67 0.13 -0.20 0.00 0.43 0.00 0.00 52.55 53.57 2j6a s ASP 55 Cb -0.24 -2.49 -0.08 0.00 -0.30 0.00 0.00 42.92 39.82 2j6a s ASP 55 CO 0.28 -1.18 1.76 -0.25 -0.17 0.00 0.00 175.17 175.61 2j6a h TRP 56 N 9.21 0.23 -0.99 -5.34 2.91 -1.94 -1.83 115.95 118.20 2j6a h TRP 56 Ca -0.24 0.00 0.17 0.00 1.13 0.00 0.00 58.89 59.95 2j6a h TRP 56 Cb 1.07 -0.08 -0.09 0.00 -0.51 0.00 0.00 29.16 29.55 2j6a h TRP 56 CO 0.92 0.15 0.61 -1.35 -1.03 0.00 0.00 178.44 177.75 2j6a h PRO 57 N 0.23 0.76 -0.14 2.65 0.11 -1.93 -0.65 132.00 133.03 2j6a h PRO 57 Ca 0.06 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.98 2j6a h PRO 57 Cb -0.02 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 2j6a h PRO 57 CO -0.01 0.50 -0.54 0.00 -0.21 0.00 0.00 178.00 177.74 2j6a h ALA 58 N 1.61 0.80 -0.33 -0.75 0.00 -1.88 -1.15 119.26 117.56 2j6a h ALA 58 Ca 0.54 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2j6a h ALA 58 Cb 0.80 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2j6a h ALA 58 CO -0.31 0.69 0.11 0.28 0.00 0.00 0.00 179.25 180.01 2j6a h VAL 59 N 0.32 0.90 -0.61 0.00 2.07 -0.43 -1.94 116.25 116.56 2j6a h VAL 59 Ca 0.01 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 2j6a h VAL 59 Cb 1.05 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2j6a h VAL 59 CO 0.09 0.04 0.16 -0.07 0.02 0.00 0.00 177.57 177.82 2j6a h LEU 60 N 0.25 0.92 -0.03 2.57 3.38 -0.79 -0.65 115.31 120.95 2j6a h LEU 60 Ca 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2j6a h LEU 60 Cb 0.13 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2j6a h LEU 60 CO -0.16 0.91 0.01 0.74 0.09 0.00 0.00 178.44 180.03 2j6a h THR 61 N 0.89 1.19 -0.33 0.22 2.02 -1.17 -2.10 112.91 113.62 2j6a h THR 61 Ca 0.19 -0.57 -0.14 0.00 0.77 0.00 0.00 66.41 66.67 2j6a h THR 61 Cb 0.34 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2j6a h THR 61 CO 0.00 0.15 -0.32 0.58 0.37 0.00 0.00 175.52 176.30 2j6a h VAL 62 N -0.17 1.29 -0.50 3.16 2.07 -1.27 -2.11 116.25 118.71 2j6a h VAL 62 Ca 0.01 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.10 2j6a h VAL 62 Cb 0.24 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 2j6a h VAL 62 CO 0.00 0.49 0.19 0.00 0.02 0.00 0.00 177.57 178.27 2j6a h ALA 63 N 0.74 0.62 -0.49 1.67 0.00 -1.10 -1.12 119.26 119.57 2j6a h ALA 63 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2j6a h ALA 63 Cb 0.90 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2j6a h ALA 63 CO 0.08 -0.20 0.28 0.00 0.00 0.00 0.00 179.25 179.41 2j6a h ALA 64 N 1.33 0.63 -0.97 0.00 0.00 -1.26 0.78 119.26 119.77 2j6a h ALA 64 Ca 0.24 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.22 2j6a h ALA 64 Cb 0.25 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 2j6a h ALA 64 CO -0.24 0.14 0.61 0.93 0.00 0.00 0.00 179.25 180.69 2j6a h GLU 65 N 0.66 0.79 -0.49 0.00 5.08 -0.78 -1.50 114.58 118.33 2j6a h GLU 65 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2j6a h GLU 65 Cb 0.02 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2j6a h GLU 65 CO -0.03 0.52 0.00 1.28 -1.00 0.00 0.00 179.01 179.78 2j6a n LEU 66 N -4.64 2.63 0.00 1.33 4.77 -0.48 -3.92 117.00 116.69 2j6a n LEU 66 Ca 0.20 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 2j6a n LEU 66 Cb 0.47 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2j6a n LEU 66 CO 0.26 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2j6a n GLY 67 N 1.24 0.72 3.36 -0.72 0.00 -0.57 -5.05 105.19 104.18 2j6a n GLY 67 Ca 0.16 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2j6a n GLY 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2j6a s ASN 68 N -2.24 5.59 -0.17 1.61 3.84 0.18 -4.94 114.94 118.81 2j6a s ASN 68 Ca 0.00 -0.96 0.16 0.00 0.21 0.00 0.00 52.86 52.28 2j6a s ASN 68 Cb 0.00 -1.98 0.40 0.00 -0.55 0.00 0.00 41.25 39.12 2j6a s ASN 68 CO 0.00 -0.34 1.27 0.59 -2.79 0.00 0.00 177.10 175.83 2j6a n ASN 69 N 4.95 2.77 -1.06 -4.21 3.02 -1.26 -2.96 115.26 116.51 2j6a n ASN 69 Ca -0.12 -3.23 0.08 0.00 -0.03 0.00 0.00 54.58 51.28 2j6a n ASN 69 Cb 0.46 -0.50 0.25 0.00 -0.61 0.00 0.00 39.78 39.39 2j6a n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j6a n ALA 70 N -1.09 2.54 -2.33 5.41 0.00 -1.26 -5.00 120.51 118.78 2j6a n ALA 70 Ca 0.20 -1.44 -0.34 0.00 0.00 0.00 0.00 53.44 51.87 2j6a n ALA 70 Cb 0.77 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 2j6a n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2j6a s LEU 71 N -1.43 4.23 0.43 0.00 1.43 -1.26 -5.06 118.68 117.02 2j6a s LEU 71 Ca 0.38 1.06 -0.23 0.00 -1.03 0.00 0.00 54.13 54.31 2j6a s LEU 71 Cb 0.23 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.79 2j6a s LEU 71 CO 0.21 -0.02 1.10 -2.16 0.23 0.00 0.00 176.35 175.71 2j6a s PRO 72 N -2.46 3.95 0.52 1.29 0.04 -1.26 -4.93 135.00 132.14 2j6a s PRO 72 Ca 0.44 1.63 0.34 0.00 0.04 0.00 0.00 61.00 63.46 2j6a s PRO 72 Cb -0.13 -2.45 1.69 0.00 0.04 0.00 0.00 34.50 33.65 2j6a s PRO 72 CO 0.20 -0.35 2.04 -1.00 0.04 0.00 0.00 177.00 177.92 2j6a h PRO 73 N 2.22 0.00 -5.90 0.56 0.13 -2.01 -3.42 132.00 123.59 2j6a h PRO 73 Ca -0.49 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.96 2j6a h PRO 73 Cb 1.23 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.11 2j6a h PRO 73 CO 0.61 0.00 -0.78 0.99 -0.23 0.00 0.00 178.00 178.60 2j6a s THR 74 N -3.78 2.99 0.07 1.56 2.01 -1.26 -4.94 115.64 112.29 2j6a s THR 74 Ca -0.01 -0.72 -0.35 0.00 0.31 0.00 0.00 61.69 60.92 2j6a s THR 74 Cb 0.10 -2.20 -0.14 0.00 0.01 0.00 0.00 72.50 70.27 2j6a s THR 74 CO 0.41 0.56 1.62 1.17 -0.69 0.00 0.00 174.62 177.70 2j6a n LYS 75 N 2.84 1.97 -1.66 4.92 4.81 -1.26 -4.89 118.16 124.90 2j6a n LYS 75 Ca -0.18 0.71 -0.45 0.00 -0.87 0.00 0.00 58.31 57.53 2j6a n LYS 75 Cb 0.52 -2.48 -0.02 0.00 0.02 0.00 0.00 35.03 33.07 2j6a n LYS 75 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2j6a n PRO 76 N 4.12 1.88 -4.11 1.64 -0.02 -1.26 -4.99 135.00 132.26 2j6a n PRO 76 Ca 0.19 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 62.02 2j6a n PRO 76 Cb 0.27 -2.25 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 2j6a n PRO 76 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2j6a s SER 77 N 0.01 5.49 0.10 2.55 1.04 -1.26 -5.03 113.70 116.60 2j6a s SER 77 Ca 0.64 0.04 0.03 0.00 0.48 0.00 0.00 55.95 57.14 2j6a s SER 77 Cb -0.66 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 2j6a s SER 77 CO 0.54 0.23 -0.08 -0.36 0.98 0.00 0.00 173.24 174.55 2j6a s PHE 78 N -1.26 0.95 1.05 5.02 0.08 -1.26 -5.10 117.98 117.46 2j6a s PHE 78 Ca 0.25 -0.78 -0.14 0.00 0.12 0.00 0.00 56.93 56.38 2j6a s PHE 78 Cb -0.12 -0.53 0.21 0.00 -0.57 0.00 0.00 43.02 42.01 2j6a s PHE 78 CO 0.17 -0.08 1.09 -1.25 -0.10 0.00 0.00 175.22 175.05 2j6a s PRO 79 N -3.30 0.02 0.22 0.24 0.04 -1.26 -4.95 135.00 126.00 2j6a s PRO 79 Ca 0.08 0.40 0.25 0.00 0.04 0.00 0.00 61.00 61.78 2j6a s PRO 79 Cb 0.01 -1.70 0.89 0.00 0.04 0.00 0.00 34.50 33.74 2j6a s PRO 79 CO -0.02 -2.98 1.75 0.43 0.04 0.00 0.00 177.00 176.21 2j6a n SER 80 N -4.33 0.71 -4.12 6.66 7.64 -1.26 -4.82 113.62 114.10 2j6a n SER 80 Ca 0.06 0.61 -0.14 0.00 1.01 0.00 0.00 58.87 60.41 2j6a n SER 80 Cb 0.58 -0.78 -0.11 0.00 -1.01 0.00 0.00 64.21 62.88 2j6a n SER 80 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2j6a s SER 81 N -4.33 1.17 0.33 6.43 0.15 -1.26 -5.05 113.70 111.15 2j6a s SER 81 Ca 0.08 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.09 2j6a s SER 81 Cb 0.11 0.02 0.58 0.00 -1.71 0.00 0.00 66.02 65.02 2j6a s SER 81 CO 0.51 -0.21 1.97 -0.29 1.20 0.00 0.00 173.24 176.42 2j6a h ILE 82 N 4.13 1.18 -0.40 6.45 2.10 -2.00 -2.62 117.51 126.35 2j6a h ILE 82 Ca -0.37 -0.41 0.10 0.00 1.08 0.00 0.00 64.86 65.26 2j6a h ILE 82 Cb 1.19 0.32 -0.02 0.00 -1.09 0.00 0.00 36.82 37.23 2j6a h ILE 82 CO 0.45 0.19 0.28 1.56 -1.08 0.00 0.00 178.15 179.56 2j6a h GLN 83 N 0.85 0.09 -0.00 2.19 4.20 -1.98 -1.88 115.11 118.56 2j6a h GLN 83 Ca 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2j6a h GLN 83 Cb -0.02 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2j6a h GLN 83 CO -0.04 0.06 -0.20 0.39 -0.67 0.00 0.00 178.83 178.37 2j6a n GLU 84 N -4.44 0.60 -2.13 1.46 1.02 -0.99 -4.91 120.64 111.25 2j6a n GLU 84 Ca 0.06 -0.27 -0.41 0.00 -0.02 0.00 0.00 57.16 56.52 2j6a n GLU 84 Cb 0.42 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2j6a n GLU 84 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2j6a s LEU 85 N -2.58 4.41 0.73 -4.62 1.43 -0.71 -4.89 118.68 112.45 2j6a s LEU 85 Ca 0.24 2.53 -0.09 0.00 -1.03 0.00 0.00 54.13 55.78 2j6a s LEU 85 Cb 0.19 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.86 2j6a s LEU 85 CO 0.52 -0.59 1.07 0.42 0.23 0.00 0.00 176.35 178.00 2j6a s THR 86 N -0.06 2.34 0.31 5.49 -4.23 -1.26 -4.92 115.64 113.31 2j6a s THR 86 Ca 0.57 -0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2j6a s THR 86 Cb -0.39 -3.06 0.27 0.00 1.34 0.00 0.00 72.50 70.66 2j6a s THR 86 CO 0.41 -0.07 1.97 0.44 -0.54 0.00 0.00 174.62 176.83 2j6a h ASP 87 N -0.74 0.89 -0.48 3.99 3.32 -1.99 -1.17 116.42 120.25 2j6a h ASP 87 Ca -0.45 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 2j6a h ASP 87 Cb 1.31 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 2j6a h ASP 87 CO 0.63 0.63 -0.09 0.44 -1.72 0.00 0.00 179.24 179.13 2j6a h ASP 88 N 1.04 0.90 -0.49 6.45 3.32 -1.99 -0.63 116.42 125.02 2j6a h ASP 88 Ca 0.30 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 57.06 2j6a h ASP 88 Cb -0.05 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.21 2j6a h ASP 88 CO -0.08 1.04 0.22 0.44 -1.72 0.00 0.00 179.24 179.14 2j6a h ASP 89 N 0.75 0.28 -0.47 6.45 3.32 -1.85 -1.84 116.42 123.06 2j6a h ASP 89 Ca 0.12 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2j6a h ASP 89 Cb 0.63 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2j6a h ASP 89 CO 0.04 0.20 0.12 0.24 -1.72 0.00 0.00 179.24 178.12 2j6a h MET 90 N 0.43 0.81 -0.51 3.56 2.86 -0.83 0.58 114.93 121.83 2j6a h MET 90 Ca 0.22 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2j6a h MET 90 Cb 0.18 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2j6a h MET 90 CO -0.19 0.74 0.05 0.00 1.06 0.00 0.00 176.91 178.56 2j6a h ALA 91 N 1.35 0.69 -0.14 6.32 0.00 -0.79 0.83 119.26 127.52 2j6a h ALA 91 Ca 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2j6a h ALA 91 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2j6a h ALA 91 CO -0.00 0.46 0.09 0.82 0.00 0.00 0.00 179.25 180.61 2j6a h ILE 92 N 0.75 1.06 -0.68 0.00 2.04 -0.99 -1.43 117.51 118.26 2j6a h ILE 92 Ca 0.15 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2j6a h ILE 92 Cb 0.46 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 2j6a h ILE 92 CO 0.02 0.06 0.34 -0.07 0.00 0.00 0.00 178.15 178.49 2j6a h LEU 93 N 0.16 0.46 -0.66 1.44 3.38 -0.56 -0.24 115.31 119.28 2j6a h LEU 93 Ca 0.05 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2j6a h LEU 93 Cb 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2j6a h LEU 93 CO -0.01 0.27 0.44 0.78 0.09 0.00 0.00 178.44 180.01 2j6a h ASN 94 N 0.60 0.76 -0.79 -0.43 2.35 -0.61 0.62 115.58 118.08 2j6a h ASN 94 Ca 0.33 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 56.02 2j6a h ASN 94 Cb 0.31 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 2j6a h ASN 94 CO -0.24 0.55 0.34 0.44 -1.65 0.00 0.00 177.43 176.86 2j6a h ASP 95 N 0.90 1.08 0.12 5.81 3.32 -0.60 -1.97 116.42 125.08 2j6a h ASP 95 Ca 0.24 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 2j6a h ASP 95 Cb -0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 2j6a h ASP 95 CO -0.05 0.95 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.96 2j6a h LEU 96 N 1.16 0.38 -0.30 1.55 3.38 -0.46 -1.11 115.31 119.91 2j6a h LEU 96 Ca 0.27 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2j6a h LEU 96 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2j6a h LEU 96 CO -0.03 0.74 0.17 -0.74 0.09 0.00 0.00 178.44 178.67 2j6a h HIS 97 N 0.31 0.40 -0.48 1.13 2.76 -0.62 0.10 115.15 118.76 2j6a h HIS 97 Ca 0.03 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 2j6a h HIS 97 Cb 0.82 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 2j6a h HIS 97 CO 0.02 0.32 0.22 1.15 -1.30 0.00 0.00 177.93 178.34 2j6a h THR 98 N 0.37 1.19 0.30 6.26 2.02 -0.98 -1.34 112.91 120.73 2j6a h THR 98 Ca 0.11 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 2j6a h THR 98 Cb 0.04 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2j6a h THR 98 CO -0.02 0.22 -0.14 0.25 0.37 0.00 0.00 175.52 176.20 2j6a h LEU 99 N 0.63 -0.34 0.18 2.58 5.85 -1.05 -2.24 115.31 120.93 2j6a h LEU 99 Ca 0.16 -0.19 -0.31 0.00 0.84 0.00 0.00 57.88 58.38 2j6a h LEU 99 Cb 0.14 0.09 0.02 0.00 0.37 0.00 0.00 40.66 41.27 2j6a h LEU 99 CO -0.02 0.04 -1.45 -0.07 -0.34 0.00 0.00 178.44 176.60 2j6a h LEU 100 N -0.76 0.60 0.00 2.25 3.38 -0.78 -3.35 115.31 116.65 2j6a h LEU 100 Ca -0.04 -0.70 -0.23 0.00 0.09 0.00 0.00 57.88 57.00 2j6a h LEU 100 Cb 0.50 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2j6a h LEU 100 CO 0.07 1.56 -1.87 0.18 0.09 0.00 0.00 178.44 178.47 2j6a n LEU 101 N -3.59 2.71 0.12 1.67 4.77 -0.57 -1.49 117.00 120.62 2j6a n LEU 101 Ca -0.15 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 55.91 2j6a n LEU 101 Cb 1.07 -0.52 0.20 0.00 -2.33 0.00 0.00 43.42 41.83 2j6a n LEU 101 CO 0.56 0.69 0.54 1.56 -1.33 0.00 0.00 177.39 179.41 2j6a h GLN 102 N -0.09 0.00 -5.23 3.23 4.20 -1.31 -3.45 115.11 112.47 2j6a h GLN 102 Ca -0.35 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 57.74 2j6a h GLN 102 Cb 1.50 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 29.14 2j6a h GLN 102 CO -0.08 0.00 -0.18 0.99 -0.67 0.00 0.00 178.83 178.89 2j6a s THR 103 N -3.20 5.15 0.09 -0.54 2.01 -0.85 -0.14 115.64 118.17 2j6a s THR 103 Ca 0.06 0.66 0.10 0.00 0.31 0.00 0.00 61.69 62.82 2j6a s THR 103 Cb 0.10 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2j6a s THR 103 CO 0.69 0.15 -0.26 -0.44 -0.69 0.00 0.00 174.62 174.07 2j6a s SER 104 N 1.55 3.10 -0.39 3.53 0.01 0.24 -0.52 113.70 121.22 2j6a s SER 104 Ca 0.17 -0.68 -0.23 0.00 1.31 0.00 0.00 55.95 56.53 2j6a s SER 104 Cb -0.16 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.86 2j6a s SER 104 CO 0.09 0.19 0.76 -0.63 0.41 0.00 0.00 173.24 174.06 2j6a s ILE 105 N -0.98 4.73 0.04 1.44 1.01 -0.34 -0.54 121.20 126.57 2j6a s ILE 105 Ca 0.12 0.70 -0.07 0.00 0.00 0.00 0.00 60.65 61.40 2j6a s ILE 105 Cb -0.10 -4.22 -0.30 0.00 0.01 0.00 0.00 42.46 37.85 2j6a s ILE 105 CO 0.04 -0.50 1.02 0.00 0.00 0.00 0.00 174.94 175.50 2j6a h ALA 106 N 8.63 0.09 -2.96 9.38 0.00 -1.21 0.10 119.26 133.29 2j6a h ALA 106 Ca -0.25 -0.95 -0.15 0.00 0.00 0.00 0.00 54.91 53.56 2j6a h ALA 106 Cb 1.09 0.13 -0.24 0.00 0.00 0.00 0.00 17.79 18.77 2j6a h ALA 106 CO 0.91 0.97 -0.36 -2.00 0.00 0.00 0.00 179.25 178.77 2j6a s GLU 107 N -2.63 0.38 0.00 0.00 2.56 -1.21 -0.17 118.70 117.63 2j6a s GLU 107 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 54.97 55.23 2j6a s GLU 107 Cb 0.06 0.18 0.00 0.00 2.00 0.00 0.00 34.13 36.38 2j6a s GLU 107 CO 0.89 -0.06 0.00 0.41 -0.56 0.00 0.00 175.26 175.94 2j6a n GLY 108 N 2.70 -1.32 3.20 -1.50 0.00 -0.48 -0.26 105.19 107.54 2j6a n GLY 108 Ca -0.14 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 2j6a n GLY 108 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j6a s GLU 109 N -0.83 0.37 -0.03 1.61 2.12 -1.26 -1.21 118.70 119.47 2j6a s GLU 109 Ca 0.00 0.43 -0.18 0.00 0.36 0.00 0.00 54.97 55.58 2j6a s GLU 109 Cb 0.00 0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.60 2j6a s GLU 109 CO 0.00 -0.05 0.39 0.00 -0.54 0.00 0.00 175.26 175.07 2j6a s MET 110 N 0.15 0.73 0.17 4.30 0.23 -0.59 -1.22 119.30 123.06 2j6a s MET 110 Ca -0.00 -0.04 0.08 0.00 -1.03 0.00 0.00 55.69 54.69 2j6a s MET 110 Cb -0.02 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 2j6a s MET 110 CO 0.00 -0.20 -0.17 -1.59 -2.03 0.00 0.00 175.02 171.04 2j6a s LYS 111 N -1.18 1.26 -0.08 3.16 -2.85 -0.45 0.24 119.74 119.84 2j6a s LYS 111 Ca -0.12 -1.44 -0.30 0.00 -1.00 0.00 0.00 55.97 53.11 2j6a s LYS 111 Cb -0.04 -1.21 -0.02 0.00 -2.06 0.00 0.00 37.83 34.50 2j6a s LYS 111 CO 0.05 0.23 1.10 0.00 0.10 0.00 0.00 175.35 176.83 2j6a h ARG 113 N 7.27 0.00 0.14 0.00 3.08 -1.82 0.21 114.38 123.26 2j6a h ARG 113 Ca -0.32 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.50 2j6a h ARG 113 Cb 1.15 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.22 2j6a h ARG 113 CO 0.87 0.10 -1.03 -0.97 -1.07 0.00 0.00 179.97 177.86 2j6a h ASN 114 N 0.00 0.48 0.00 7.04 -1.24 -1.86 -3.42 115.58 116.58 2j6a h ASN 114 Ca -0.00 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.09 2j6a h ASN 114 Cb 0.42 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2j6a h ASN 114 CO 0.01 1.48 0.00 0.00 -1.29 0.00 0.00 177.43 177.63 2j6a n GLY 116 N 0.86 0.70 3.67 0.00 0.00 0.73 -4.99 105.19 106.15 2j6a n GLY 116 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2j6a n GLY 116 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2j6a n HIS 117 N -2.40 2.24 -3.40 1.61 -0.00 -1.26 -4.58 115.22 107.43 2j6a n HIS 117 Ca 0.00 0.22 -0.39 0.00 -0.00 0.00 0.00 57.72 57.55 2j6a n HIS 117 Cb 0.02 -2.56 -0.08 0.00 -0.00 0.00 0.00 29.99 27.36 2j6a n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2j6a s ILE 118 N 1.83 5.19 0.30 3.57 1.01 -1.26 -1.35 121.20 130.49 2j6a s ILE 118 Ca 0.83 0.61 0.07 0.00 0.00 0.00 0.00 60.65 62.16 2j6a s ILE 118 Cb -0.71 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 2j6a s ILE 118 CO 0.43 0.20 0.26 -0.31 0.00 0.00 0.00 174.94 175.52 2j6a s TYR 119 N 1.74 3.01 0.08 3.97 2.02 0.14 -4.98 117.35 123.33 2j6a s TYR 119 Ca 0.16 -0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.70 2j6a s TYR 119 Cb -0.15 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 2j6a s TYR 119 CO 0.09 0.33 -0.13 0.71 -1.57 0.00 0.00 175.55 174.97 2j6a s TYR 120 N -2.22 1.21 -0.15 2.71 2.02 -1.26 -1.55 117.35 118.11 2j6a s TYR 120 Ca 0.37 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 2j6a s TYR 120 Cb -0.07 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 2j6a s TYR 120 CO 0.26 0.06 -0.19 0.42 -1.57 0.00 0.00 175.55 174.54 2j6a s ILE 121 N -1.54 2.35 -0.08 2.71 1.01 -0.35 -0.95 121.20 124.35 2j6a s ILE 121 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2j6a s ILE 121 Cb -0.08 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.43 2j6a s ILE 121 CO 0.02 0.53 -0.10 -0.75 0.00 0.00 0.00 174.94 174.64 2j6a s LYS 122 N 0.87 1.56 -1.62 2.79 2.20 -0.20 -1.39 119.74 123.95 2j6a s LYS 122 Ca -0.05 -0.33 -0.14 0.00 -0.36 0.00 0.00 55.97 55.09 2j6a s LYS 122 Cb -0.15 -1.43 0.12 0.00 -1.51 0.00 0.00 37.83 34.86 2j6a s LYS 122 CO -0.02 -0.10 0.75 0.09 -0.36 0.00 0.00 175.35 175.71 2j6a n ASN 123 N 4.27 -2.97 0.00 1.43 4.13 -0.86 -0.78 115.26 120.47 2j6a n ASN 123 Ca -0.19 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.09 2j6a n ASN 123 Cb 0.51 -2.98 0.00 0.00 -1.54 0.00 0.00 39.78 35.77 2j6a n ASN 123 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2j6a n GLY 124 N -1.56 0.99 3.30 7.41 0.00 0.75 -4.89 105.19 111.19 2j6a n GLY 124 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2j6a n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j6a s ILE 125 N -3.67 3.34 0.53 -0.61 1.01 0.04 -0.03 121.20 121.80 2j6a s ILE 125 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 2j6a s ILE 125 Cb 0.00 -2.52 -0.07 0.00 0.01 0.00 0.00 42.46 39.88 2j6a s ILE 125 CO 0.00 0.42 1.03 -2.16 0.00 0.00 0.00 174.94 174.23 2j6a s PRO 126 N 1.47 3.68 -0.27 2.79 0.04 -1.26 -1.03 135.00 140.42 2j6a s PRO 126 Ca 0.06 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.38 2j6a s PRO 126 Cb -0.14 -2.09 0.61 0.00 0.04 0.00 0.00 34.50 32.92 2j6a s PRO 126 CO -0.04 -0.51 1.62 0.27 0.04 0.00 0.00 177.00 178.39 2j6a n ASN 127 N -1.45 4.26 -4.26 6.66 6.94 -0.13 -4.82 115.26 122.46 2j6a n ASN 127 Ca 0.08 -3.01 -0.29 0.00 -0.02 0.00 0.00 54.58 51.34 2j6a n ASN 127 Cb 0.53 -0.71 -0.16 0.00 -2.36 0.00 0.00 39.78 37.08 2j6a n ASN 127 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2j6a s LEU 128 N -2.44 2.04 0.08 -4.53 2.96 -1.26 -4.93 118.68 110.60 2j6a s LEU 128 Ca 0.45 -0.43 -0.31 0.00 -0.22 0.00 0.00 54.13 53.62 2j6a s LEU 128 Cb 0.36 -1.22 -0.09 0.00 0.50 0.00 0.00 46.19 45.74 2j6a s LEU 128 CO 0.11 0.28 1.74 -0.22 -1.32 0.00 0.00 176.35 176.94 2j6a s LEU 129 N -0.48 4.38 0.12 -0.68 2.96 -1.26 -4.96 118.68 118.76 2j6a s LEU 129 Ca 0.07 2.59 -0.30 0.00 -0.22 0.00 0.00 54.13 56.26 2j6a s LEU 129 Cb -0.10 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.97 2j6a s LEU 129 CO -0.00 -0.94 1.15 -0.76 -1.32 0.00 0.00 176.35 174.48 2j6a s LEU 130 N 2.89 4.43 0.47 -0.68 1.43 -1.26 -5.01 118.68 120.95 2j6a s LEU 130 Ca 0.78 2.07 -0.23 0.00 -1.03 0.00 0.00 54.13 55.72 2j6a s LEU 130 Cb -0.42 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.14 2j6a s LEU 130 CO 0.34 -0.35 1.20 -2.16 0.23 0.00 0.00 176.35 175.61 2j6a s PRO 131 N 0.29 3.67 0.29 1.29 0.04 -1.26 -4.93 135.00 134.39 2j6a s PRO 131 Ca 0.54 1.87 0.25 0.00 0.04 0.00 0.00 61.00 63.70 2j6a s PRO 131 Cb -0.30 -2.40 1.00 0.00 0.04 0.00 0.00 34.50 32.84 2j6a s PRO 131 CO 0.33 -0.65 1.75 -1.00 0.04 0.00 0.00 177.00 177.46 2j6a h PRO 132 N 1.99 0.00 -3.26 0.56 0.13 -2.02 -3.44 132.00 125.96 2j6a h PRO 132 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2j6a h PRO 132 Cb 1.26 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 2j6a h PRO 132 CO 0.60 0.00 -0.06 -3.38 -0.23 0.00 0.00 178.00 174.93 2j6a s HIS 133 N -3.34 -0.25 -0.31 1.56 -3.43 -1.26 -5.15 115.29 103.12 2j6a s HIS 133 Ca 0.04 0.01 -0.07 0.00 -0.80 0.00 0.00 55.06 54.25 2j6a s HIS 133 Cb 0.09 0.27 0.02 0.00 -1.43 0.00 0.00 32.58 31.54 2j6a s HIS 133 CO 0.43 -0.68 0.09 -0.51 -2.00 0.00 0.00 174.74 172.07 2j6a s LEU 134 N -2.59 4.05 -0.06 5.38 1.43 -1.26 -5.06 118.68 120.58 2j6a s LEU 134 Ca 0.01 -0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 52.03 2j6a s LEU 134 Cb 0.01 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.39 2j6a s LEU 134 CO -0.09 -0.25 0.42 0.54 0.23 0.00 0.00 176.35 177.20 2j6a s VAL 135 N 1.46 0.03 -1.45 -1.59 0.11 -1.26 -5.09 120.40 112.62 2j6a s VAL 135 Ca 0.01 -0.26 0.12 0.00 -2.93 0.00 0.00 61.98 58.91 2j6a s VAL 135 Cb -0.18 -0.70 0.09 0.00 -1.53 0.00 0.00 36.38 34.06 2j6a s VAL 135 CO 0.03 -0.14 0.87 1.41 -3.33 0.00 0.00 175.10 173.93