#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6p s TYR 4 N 0.00 -0.30 0.38 1.20 -0.85 -1.26 -4.70 117.35 111.83 2j6p s TYR 4 Ca 0.00 0.09 0.04 0.00 -0.52 0.00 0.00 57.07 56.68 2j6p s TYR 4 Cb 0.00 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 2j6p s TYR 4 CO 0.00 -0.68 0.10 0.95 -1.52 0.00 0.00 175.55 174.40 2j6p s THR 5 N -3.26 0.82 -0.05 -3.49 -4.23 -1.05 -4.96 115.64 99.42 2j6p s THR 5 Ca 0.07 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.52 2j6p s THR 5 Cb -0.01 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2j6p s THR 5 CO -0.06 0.00 0.19 -0.31 -0.54 0.00 0.00 174.62 173.91 2j6p s TYR 6 N -3.24 3.59 -0.01 3.99 1.51 -1.26 -0.76 117.35 121.17 2j6p s TYR 6 Ca 0.27 0.51 0.07 0.00 -1.01 0.00 0.00 57.07 56.91 2j6p s TYR 6 Cb 0.05 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 2j6p s TYR 6 CO 0.14 0.68 -0.23 -1.50 -1.11 0.00 0.00 175.55 173.53 2j6p s ILE 7 N -1.18 1.82 0.70 2.71 2.07 -0.42 -4.85 121.20 122.05 2j6p s ILE 7 Ca 0.22 -1.03 -0.11 0.00 -1.41 0.00 0.00 60.65 58.32 2j6p s ILE 7 Cb -0.13 -1.52 0.01 0.00 0.13 0.00 0.00 42.46 40.95 2j6p s ILE 7 CO 0.12 0.48 1.07 -0.54 -1.91 0.00 0.00 174.94 174.15 2j6p s LYS 8 N -0.64 2.87 0.23 3.50 1.02 -1.26 -0.57 119.74 124.88 2j6p s LYS 8 Ca 0.09 0.78 -0.06 0.00 0.02 0.00 0.00 55.97 56.80 2j6p s LYS 8 Cb -0.09 -2.00 0.38 0.00 -0.52 0.00 0.00 37.83 35.60 2j6p s LYS 8 CO -0.00 -1.10 1.76 -1.35 -0.92 0.00 0.00 175.35 173.73 2j6p h PRO 9 N -0.71 0.53 -0.71 -1.68 0.11 -1.95 -1.26 132.00 126.32 2j6p h PRO 9 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2j6p h PRO 9 Cb 1.22 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2j6p h PRO 9 CO 0.59 0.35 0.33 0.93 -0.21 0.00 0.00 178.00 180.00 2j6p h GLU 10 N 0.55 1.02 -0.28 1.05 3.07 -1.99 0.48 114.58 118.49 2j6p h GLU 10 Ca 0.37 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 58.94 2j6p h GLU 10 Cb 0.46 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2j6p h GLU 10 CO -0.31 0.80 -0.42 0.93 -1.40 0.00 0.00 179.01 178.60 2j6p h GLU 11 N 1.01 0.69 -0.52 2.33 5.08 -1.81 -1.56 114.58 119.80 2j6p h GLU 11 Ca 0.25 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2j6p h GLU 11 Cb 0.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2j6p h GLU 11 CO -0.03 0.98 0.21 1.25 -1.00 0.00 0.00 179.01 180.42 2j6p h LEU 12 N 0.56 0.72 -0.38 1.33 5.85 -0.77 -1.39 115.31 121.23 2j6p h LEU 12 Ca 0.04 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2j6p h LEU 12 Cb 0.96 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2j6p h LEU 12 CO 0.09 0.69 0.20 0.58 -0.34 0.00 0.00 178.44 179.65 2j6p h VAL 13 N 0.70 0.99 -0.73 1.05 2.07 -0.63 -0.38 116.25 119.33 2j6p h VAL 13 Ca 0.17 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 67.71 2j6p h VAL 13 Cb 0.19 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 2j6p h VAL 13 CO -0.02 0.07 0.20 -0.33 0.02 0.00 0.00 177.57 177.52 2j6p h GLU 14 N 0.40 0.30 -0.46 1.57 5.08 -1.00 0.17 114.58 120.63 2j6p h GLU 14 Ca 0.16 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2j6p h GLU 14 Cb 0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2j6p h GLU 14 CO -0.11 0.20 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.01 2j6p h LEU 15 N 0.31 0.75 -0.33 1.33 3.38 -0.44 -2.91 115.31 117.40 2j6p h LEU 15 Ca 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2j6p h LEU 15 Cb 0.67 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2j6p h LEU 15 CO -0.47 0.83 0.00 -0.07 0.09 0.00 0.00 178.44 178.81 2j6p h LEU 16 N 0.72 0.00 -0.13 1.67 3.38 0.62 -2.85 115.31 118.72 2j6p h LEU 16 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2j6p h LEU 16 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2j6p h LEU 16 CO 0.02 0.00 -0.47 0.47 0.09 0.00 0.00 178.44 178.55 2j6p n ASP 17 N -2.86 0.68 -4.73 -0.43 8.00 -0.14 -4.81 116.55 112.25 2j6p n ASP 17 Ca 0.04 -0.47 -0.36 0.00 0.71 0.00 0.00 54.79 54.70 2j6p n ASP 17 Cb 0.45 0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.75 2j6p n ASP 17 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2j6p s ASN 18 N -2.87 6.41 0.11 -2.24 3.84 -1.09 -5.00 114.94 114.11 2j6p s ASN 18 Ca 0.14 0.48 -0.21 0.00 0.21 0.00 0.00 52.86 53.48 2j6p s ASN 18 Cb 0.18 -2.17 -0.08 0.00 -0.55 0.00 0.00 41.25 38.63 2j6p s ASN 18 CO 0.67 0.12 1.72 1.55 -2.79 0.00 0.00 177.10 178.37 2j6p h PRO 19 N 6.59 0.00 0.19 0.43 0.13 -1.89 -1.74 132.00 135.72 2j6p h PRO 19 Ca -0.42 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2j6p h PRO 19 Cb 1.17 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2j6p h PRO 19 CO 0.75 0.00 -0.09 0.38 -0.23 0.00 0.00 178.00 178.81 2j6p h ASP 20 N 0.00 -0.21 -0.73 1.44 3.04 -1.94 -3.28 116.42 114.74 2j6p h ASP 20 Ca 0.06 -0.32 0.16 0.00 -3.24 0.00 0.00 57.03 53.69 2j6p h ASP 20 Cb 0.09 0.06 -0.12 0.00 -1.04 0.00 0.00 39.33 38.31 2j6p h ASP 20 CO -0.12 0.28 0.11 0.28 -2.04 0.00 0.00 179.24 177.76 2j6p h SER 21 N -0.80 -0.12 -0.68 4.15 0.02 -1.82 0.24 113.55 114.54 2j6p h SER 21 Ca -0.03 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2j6p h SER 21 Cb 0.52 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 2j6p h SER 21 CO 0.04 -0.09 0.43 0.25 -1.14 0.00 0.00 176.83 176.32 2j6p h LEU 22 N 0.20 0.73 -1.72 5.07 5.85 -1.19 0.13 115.31 124.38 2j6p h LEU 22 Ca 0.41 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 2j6p h LEU 22 Cb 0.71 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2j6p h LEU 22 CO -0.56 0.52 -0.15 -0.37 -0.34 0.00 0.00 178.44 177.53 2j6p h VAL 23 N 0.87 0.61 -0.00 1.05 -1.51 -1.01 -1.61 116.25 114.64 2j6p h VAL 23 Ca 0.26 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2j6p h VAL 23 Cb -0.04 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2j6p h VAL 23 CO -0.08 0.15 -0.09 0.29 -1.23 0.00 0.00 177.57 176.61 2j6p n LYS 24 N -3.62 0.22 -4.16 5.19 5.02 -0.19 -4.70 118.16 115.92 2j6p n LYS 24 Ca -0.01 -0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 2j6p n LYS 24 Cb 0.28 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.72 2j6p n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j6p s ALA 25 N -2.81 3.45 -0.03 7.82 0.00 0.28 -0.67 121.76 129.81 2j6p s ALA 25 Ca 0.20 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2j6p s ALA 25 Cb 0.19 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 2j6p s ALA 25 CO 0.53 0.68 -0.18 0.00 0.00 0.00 0.00 175.76 176.79 2j6p s ALA 26 N -1.19 1.57 -0.25 0.00 0.00 0.05 -4.95 121.76 116.98 2j6p s ALA 26 Ca 0.23 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 2j6p s ALA 26 Cb -0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2j6p s ALA 26 CO 0.14 0.34 0.04 0.08 0.00 0.00 0.00 175.76 176.36 2j6p s VAL 27 N -0.22 3.95 -0.32 0.00 1.01 -1.26 -0.86 120.40 122.70 2j6p s VAL 27 Ca 0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2j6p s VAL 27 Cb -0.09 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2j6p s VAL 27 CO 0.01 0.29 0.10 -0.63 0.00 0.00 0.00 175.10 174.86 2j6p s ILE 28 N 1.54 3.94 -0.41 2.22 -1.09 0.11 -0.62 121.20 126.90 2j6p s ILE 28 Ca 0.05 -0.86 -0.21 0.00 -2.23 0.00 0.00 60.65 57.39 2j6p s ILE 28 Cb -0.15 -3.12 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 2j6p s ILE 28 CO 0.01 -0.04 0.69 -0.62 -1.23 0.00 0.00 174.94 173.75 2j6p s ASP 29 N 1.47 6.39 0.00 3.58 -1.08 0.77 -0.60 116.67 127.20 2j6p s ASP 29 Ca 0.01 -0.10 0.18 0.00 -0.52 0.00 0.00 52.55 52.12 2j6p s ASP 29 Cb -0.18 -2.34 0.50 0.00 -1.46 0.00 0.00 42.92 39.44 2j6p s ASP 29 CO 0.03 -0.76 1.41 0.00 0.52 0.00 0.00 175.17 176.37 2j6p s ARG 31 N -1.38 2.87 0.00 0.00 0.52 -1.26 -1.50 118.95 118.19 2j6p s ARG 31 Ca 0.36 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 2j6p s ARG 31 Cb 0.19 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.63 2j6p s ARG 31 CO 0.25 -1.02 0.00 -0.40 0.02 0.00 0.00 175.30 174.15 2j6p n ASP 32 N -3.00 0.00 0.14 0.23 5.75 -1.26 -4.22 116.55 114.19 2j6p n ASP 32 Ca 0.07 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.92 2j6p n ASP 32 Cb 0.57 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.71 2j6p n ASP 32 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2j6p h SER 33 N 0.00 0.00 -0.01 -1.12 4.64 -2.04 -3.30 113.55 111.71 2j6p h SER 33 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j6p h SER 33 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2j6p h SER 33 CO 0.00 0.23 0.00 -0.90 -0.87 0.00 0.00 176.83 175.29 2j6p n ASP 34 N -2.99 0.28 -0.15 4.97 5.75 -1.26 -3.67 116.55 119.48 2j6p n ASP 34 Ca 0.00 -1.26 0.08 0.00 -0.01 0.00 0.00 54.79 53.61 2j6p n ASP 34 Cb 0.64 -0.01 0.40 0.00 -1.03 0.00 0.00 41.12 41.13 2j6p n ASP 34 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2j6p h ARG 35 N 0.40 0.61 0.00 0.11 2.43 -1.83 -2.75 114.38 113.35 2j6p h ARG 35 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2j6p h ARG 35 Cb 0.09 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2j6p h ARG 35 CO 0.00 0.41 0.00 -0.25 -1.51 0.00 0.00 179.97 178.62 2j6p n ASP 36 N -4.48 0.00 0.31 -3.80 8.00 -1.24 -2.06 116.55 113.28 2j6p n ASP 36 Ca 0.10 -1.65 0.19 0.00 0.71 0.00 0.00 54.79 54.14 2j6p n ASP 36 Cb 0.28 0.00 1.03 0.00 -0.02 0.00 0.00 41.12 42.41 2j6p n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j6p n GLY 38 N -0.94 4.71 3.56 0.00 0.00 -0.87 -5.02 105.19 106.62 2j6p n GLY 38 Ca -0.02 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 2j6p n GLY 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2j6p s PHE 39 N -1.86 0.37 0.16 1.61 -0.12 -0.52 -4.89 117.98 112.73 2j6p s PHE 39 Ca 0.00 -0.73 -0.29 0.00 -0.05 0.00 0.00 56.93 55.86 2j6p s PHE 39 Cb 0.00 0.16 -0.07 0.00 -0.63 0.00 0.00 43.02 42.48 2j6p s PHE 39 CO 0.00 -0.96 0.92 0.42 -0.05 0.00 0.00 175.22 175.55 2j6p s ILE 40 N -4.01 4.34 0.40 -4.49 1.09 -1.26 -1.10 121.20 116.17 2j6p s ILE 40 Ca 0.22 2.02 -0.25 0.00 -1.10 0.00 0.00 60.65 61.54 2j6p s ILE 40 Cb -0.00 -4.30 -0.08 0.00 -1.06 0.00 0.00 42.46 37.02 2j6p s ILE 40 CO 0.08 0.41 1.18 0.54 -0.10 0.00 0.00 174.94 177.05 2j6p s VAL 41 N -0.54 3.10 0.00 2.92 0.11 -1.26 -1.78 120.40 122.95 2j6p s VAL 41 Ca 0.43 0.92 0.00 0.00 -2.93 0.00 0.00 61.98 60.40 2j6p s VAL 41 Cb -0.24 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 2j6p s VAL 41 CO 0.30 0.09 0.00 0.59 -3.33 0.00 0.00 175.10 172.75 2j6p n ASN 42 N 0.07 0.00 -4.77 3.54 3.02 -1.26 -4.99 115.26 110.87 2j6p n ASN 42 Ca 0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.22 2j6p n ASN 42 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2j6p n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2j6p s SER 43 N -3.31 5.90 -0.16 6.41 1.04 -0.73 -4.65 113.70 118.19 2j6p s SER 43 Ca 0.00 2.36 -0.07 0.00 0.48 0.00 0.00 55.95 58.72 2j6p s SER 43 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2j6p s SER 43 CO 0.00 -1.11 0.07 -0.63 0.98 0.00 0.00 173.24 172.55 2j6p s ILE 44 N -1.55 4.87 -0.33 -1.02 1.01 0.21 -4.92 121.20 119.47 2j6p s ILE 44 Ca 0.67 -0.01 -0.22 0.00 0.00 0.00 0.00 60.65 61.09 2j6p s ILE 44 Cb -0.30 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2j6p s ILE 44 CO 0.35 0.50 0.72 0.21 0.00 0.00 0.00 174.94 176.72 2j6p s ASN 45 N 0.01 6.54 -0.56 3.58 2.47 -1.26 -0.16 114.94 125.56 2j6p s ASN 45 Ca 0.06 0.41 0.04 0.00 0.42 0.00 0.00 52.86 53.79 2j6p s ASN 45 Cb -0.12 -2.37 0.15 0.00 -1.45 0.00 0.00 41.25 37.46 2j6p s ASN 45 CO 0.01 -0.62 0.33 -0.04 -3.72 0.00 0.00 177.10 173.07 2j6p s MET 46 N 2.87 1.93 -0.14 0.43 -1.94 0.20 -4.94 119.30 117.71 2j6p s MET 46 Ca 0.29 -2.70 -0.31 0.00 -1.71 0.00 0.00 55.69 51.26 2j6p s MET 46 Cb -0.14 -3.04 -0.08 0.00 2.01 0.00 0.00 34.83 33.58 2j6p s MET 46 CO 0.14 -1.19 2.08 -2.30 -0.01 0.00 0.00 175.02 173.74 2j6p n PRO 47 N 2.82 2.15 -0.17 2.03 -0.02 -1.26 -4.30 135.00 136.25 2j6p n PRO 47 Ca 0.12 0.70 0.23 0.00 -2.02 0.00 0.00 63.50 62.52 2j6p n PRO 47 Cb 0.34 -2.96 0.62 0.00 -0.02 0.00 0.00 33.50 31.48 2j6p n PRO 47 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2j6p h THR 48 N 6.39 0.65 0.00 3.45 2.02 -1.53 -1.14 112.91 122.75 2j6p h THR 48 Ca -0.43 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2j6p h THR 48 Cb 1.26 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2j6p h THR 48 CO 0.96 0.03 0.00 -0.29 0.37 0.00 0.00 175.52 176.59 2j6p h ILE 49 N 0.19 0.00 0.00 3.11 2.10 -1.88 -3.34 117.51 117.69 2j6p h ILE 49 Ca 0.41 -0.45 0.00 0.00 1.08 0.00 0.00 64.86 65.90 2j6p h ILE 49 Cb 1.32 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.42 2j6p h ILE 49 CO -0.08 0.00 -0.11 -1.54 -1.08 0.00 0.00 178.15 175.34 2j6p n SER 50 N -2.39 0.54 -4.77 2.19 3.41 -0.95 -5.07 113.62 106.59 2j6p n SER 50 Ca 0.04 -0.28 -0.40 0.00 -0.26 0.00 0.00 58.87 57.98 2j6p n SER 50 Cb 0.37 0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 64.95 2j6p n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2j6p s THR 52 N -1.26 2.74 0.25 0.00 -4.23 -1.26 -4.99 115.64 106.88 2j6p s THR 52 Ca 0.52 -1.35 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 2j6p s THR 52 Cb -0.34 -3.01 0.23 0.00 1.34 0.00 0.00 72.50 70.71 2j6p s THR 52 CO 0.44 -0.02 1.72 -0.08 -0.54 0.00 0.00 174.62 176.14 2j6p h GLU 53 N 1.05 0.39 -0.03 3.99 4.81 -2.00 -0.90 114.58 121.87 2j6p h GLU 53 Ca -0.42 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.66 2j6p h GLU 53 Cb 1.27 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2j6p h GLU 53 CO 0.57 0.26 -0.59 1.49 -0.73 0.00 0.00 179.01 180.01 2j6p h GLU 54 N 0.40 0.11 -0.64 1.92 4.81 -1.99 -2.03 114.58 117.16 2j6p h GLU 54 Ca 0.43 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 2j6p h GLU 54 Cb 0.69 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 2j6p h GLU 54 CO -0.44 0.67 0.27 0.52 -0.73 0.00 0.00 179.01 179.30 2j6p h MET 55 N 0.08 0.92 -0.35 1.92 2.86 -1.56 -1.64 114.93 117.16 2j6p h MET 55 Ca -0.01 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.34 2j6p h MET 55 Cb 1.07 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 2j6p h MET 55 CO 0.08 0.74 -0.40 1.88 1.06 0.00 0.00 176.91 180.27 2j6p h TYR 56 N 0.91 1.05 -0.82 -0.22 -1.99 -1.19 -1.90 116.97 112.81 2j6p h TYR 56 Ca 0.22 -0.32 0.06 0.00 2.00 0.00 0.00 58.73 60.69 2j6p h TYR 56 Cb 0.15 -0.22 -0.06 0.00 2.00 0.00 0.00 36.73 38.60 2j6p h TYR 56 CO 0.01 1.13 0.50 0.93 -0.00 0.00 0.00 178.16 180.73 2j6p h GLU 57 N 0.71 0.90 -0.34 4.88 5.08 -1.33 -0.51 114.58 123.96 2j6p h GLU 57 Ca 0.05 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2j6p h GLU 57 Cb 0.98 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2j6p h GLU 57 CO 0.09 0.59 -0.44 -0.22 -1.00 0.00 0.00 179.01 178.04 2j6p h LYS 58 N 0.93 0.87 -0.39 2.33 3.64 -1.11 -2.17 116.57 120.67 2j6p h LYS 58 Ca 0.35 -0.49 -0.15 0.00 -1.27 0.00 0.00 60.65 59.10 2j6p h LYS 58 Cb 0.15 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2j6p h LYS 58 CO -0.17 1.13 -0.34 1.25 -2.27 0.00 0.00 179.45 179.05 2j6p h LEU 59 N 0.70 0.94 -0.61 5.20 6.46 -1.18 -0.53 115.31 126.29 2j6p h LEU 59 Ca 0.05 -0.41 0.06 0.00 -0.12 0.00 0.00 57.88 57.45 2j6p h LEU 59 Cb 1.03 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.64 2j6p h LEU 59 CO 0.10 1.19 0.32 0.00 -0.62 0.00 0.00 178.44 179.43 2j6p h ALA 60 N 0.86 0.80 -0.09 1.25 0.00 -0.77 0.29 119.26 121.60 2j6p h ALA 60 Ca 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2j6p h ALA 60 Cb 0.92 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2j6p h ALA 60 CO 0.09 -0.03 -0.09 -0.22 0.00 0.00 0.00 179.25 179.00 2j6p h LYS 61 N 0.59 0.22 -0.67 0.00 3.64 -1.18 -0.76 116.57 118.42 2j6p h LYS 61 Ca 0.28 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2j6p h LYS 61 Cb 0.19 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 2j6p h LYS 61 CO -0.19 0.64 0.40 1.15 -2.27 0.00 0.00 179.45 179.18 2j6p h THR 62 N -0.19 1.03 -0.13 1.00 2.02 -0.86 0.23 112.91 116.01 2j6p h THR 62 Ca 0.02 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 2j6p h THR 62 Cb 0.60 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2j6p h THR 62 CO 0.02 0.14 -0.49 -0.07 0.37 0.00 0.00 175.52 175.49 2j6p h LEU 63 N 0.76 0.38 0.26 2.58 3.38 -0.36 -1.38 115.31 120.92 2j6p h LEU 63 Ca 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2j6p h LEU 63 Cb 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2j6p h LEU 63 CO -0.14 0.81 -0.13 0.15 0.09 0.00 0.00 178.44 179.22 2j6p h PHE 64 N 0.28 -0.33 0.00 1.13 3.57 -0.60 -1.31 116.94 119.67 2j6p h PHE 64 Ca 0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2j6p h PHE 64 Cb 0.97 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 2j6p h PHE 64 CO 0.03 -0.21 -0.03 0.93 -2.23 0.00 0.00 178.31 176.80 2j6p h GLU 65 N -0.35 0.00 -0.27 1.11 5.08 -0.38 -0.90 114.58 118.87 2j6p h GLU 65 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2j6p h GLU 65 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2j6p h GLU 65 CO 0.05 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 2j6p n GLU 66 N -3.84 1.68 -4.05 2.33 1.02 -0.54 -4.90 120.64 112.34 2j6p n GLU 66 Ca -0.03 -1.06 -0.33 0.00 -0.02 0.00 0.00 57.16 55.73 2j6p n GLU 66 Cb 0.12 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2j6p n GLU 66 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2j6p n LYS 67 N 0.34 -4.47 -2.03 3.49 5.02 -0.34 -4.96 118.16 115.21 2j6p n LYS 67 Ca 0.11 0.50 -0.39 0.00 -2.02 0.00 0.00 58.31 56.51 2j6p n LYS 67 Cb 0.26 -5.31 -0.00 0.00 -0.02 0.00 0.00 35.03 29.96 2j6p n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2j6p s LYS 68 N -6.76 3.87 -0.01 1.97 -0.14 -0.51 -4.78 119.74 113.40 2j6p s LYS 68 Ca 0.69 2.16 0.09 0.00 -1.36 0.00 0.00 55.97 57.55 2j6p s LYS 68 Cb -0.36 -2.69 -0.12 0.00 -1.68 0.00 0.00 37.83 32.98 2j6p s LYS 68 CO 0.87 -0.57 0.26 0.39 -0.76 0.00 0.00 175.35 175.54 2j6p n GLU 69 N -0.02 1.84 -4.34 1.68 1.02 0.16 -3.23 120.64 117.75 2j6p n GLU 69 Ca 0.04 -0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 2j6p n GLU 69 Cb 0.44 -1.08 -0.15 0.00 -0.02 0.00 0.00 31.44 30.62 2j6p n GLU 69 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2j6p s LEU 70 N -3.12 1.91 -0.18 -4.62 1.02 -0.91 -1.66 118.68 111.12 2j6p s LEU 70 Ca -0.01 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 53.99 2j6p s LEU 70 Cb 0.06 -0.47 0.03 0.00 0.02 0.00 0.00 46.19 45.83 2j6p s LEU 70 CO 0.36 0.08 -0.12 0.00 0.02 0.00 0.00 176.35 176.69 2j6p s ALA 71 N -0.03 1.95 -0.39 4.21 0.00 0.12 -0.77 121.76 126.85 2j6p s ALA 71 Ca 0.01 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 50.80 2j6p s ALA 71 Cb -0.05 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 21.94 2j6p s ALA 71 CO -0.00 -0.62 0.21 0.08 0.00 0.00 0.00 175.76 175.43 2j6p s VAL 72 N 1.43 4.21 0.03 0.00 1.01 -0.04 -0.18 120.40 126.86 2j6p s VAL 72 Ca 0.01 -1.22 -0.20 0.00 0.00 0.00 0.00 61.98 60.57 2j6p s VAL 72 Cb -0.15 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 2j6p s VAL 72 CO -0.09 -0.38 0.59 -0.36 0.00 0.00 0.00 175.10 174.87 2j6p s PHE 73 N 1.45 3.74 0.13 5.22 0.40 0.97 0.09 117.98 129.98 2j6p s PHE 73 Ca 0.02 1.25 -0.06 0.00 -0.60 0.00 0.00 56.93 57.54 2j6p s PHE 73 Cb -0.21 -2.57 -0.02 0.00 0.51 0.00 0.00 43.02 40.73 2j6p s PHE 73 CO 0.03 0.45 0.18 -3.38 0.70 0.00 0.00 175.22 173.21 2j6p s HIS 74 N -0.59 0.48 0.00 0.36 -3.43 0.24 -0.40 115.29 111.95 2j6p s HIS 74 Ca 0.30 -0.87 0.00 0.00 -0.80 0.00 0.00 55.06 53.69 2j6p s HIS 74 Cb -0.19 -0.19 0.00 0.00 -1.43 0.00 0.00 32.58 30.77 2j6p s HIS 74 CO 0.18 -0.61 0.00 0.00 -2.00 0.00 0.00 174.74 172.31 2j6p h ALA 76 N 1.00 -0.00 -0.00 0.00 0.00 -1.94 -0.43 119.26 117.88 2j6p h ALA 76 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2j6p h ALA 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2j6p h ALA 76 CO 0.00 -0.03 -0.23 1.04 0.00 0.00 0.00 179.25 180.02 2j6p n GLN 77 N -4.65 2.86 -4.06 0.00 6.02 -1.26 -1.39 117.38 114.89 2j6p n GLN 77 Ca -0.09 -0.38 -0.33 0.00 -0.01 0.00 0.00 57.00 56.18 2j6p n GLN 77 Cb 0.44 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.71 2j6p n GLN 77 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2j6p n SER 78 N -0.56 -4.04 -0.10 1.08 7.64 -1.26 -3.44 113.62 112.95 2j6p n SER 78 Ca 0.03 -0.89 -0.12 0.00 1.01 0.00 0.00 58.87 58.89 2j6p n SER 78 Cb 0.16 -3.34 -0.10 0.00 -1.01 0.00 0.00 64.21 59.92 2j6p n SER 78 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2j6p n LEU 79 N -4.54 2.10 0.05 -3.43 4.77 -1.26 -4.66 117.00 110.03 2j6p n LEU 79 Ca 0.05 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2j6p n LEU 79 Cb 0.51 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2j6p n LEU 79 CO 0.81 0.71 0.00 0.52 -1.33 0.00 0.00 177.39 178.10 2j6p n VAL 80 N -2.95 0.65 -0.13 4.08 0.31 -1.26 -4.77 118.33 114.26 2j6p n VAL 80 Ca -0.33 0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 2j6p n VAL 80 Cb 0.93 -1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 32.67 2j6p n VAL 80 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2j6p h ARG 81 N 0.00 0.78 -0.01 5.55 3.08 -1.93 -2.20 114.38 119.65 2j6p h ARG 81 Ca 0.00 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 2j6p h ARG 81 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2j6p h ARG 81 CO 0.00 0.95 -0.01 0.00 -1.07 0.00 0.00 179.97 179.84 2j6p h ALA 82 N 0.81 0.01 -0.69 0.04 0.00 -1.88 0.21 119.26 117.76 2j6p h ALA 82 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2j6p h ALA 82 Cb 0.70 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2j6p h ALA 82 CO 0.05 -0.24 0.37 -1.00 0.00 0.00 0.00 179.25 178.43 2j6p h PRO 83 N -0.45 0.95 -0.41 0.00 0.13 -1.83 0.39 132.00 130.79 2j6p h PRO 83 Ca 0.00 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 2j6p h PRO 83 Cb 0.49 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 2j6p h PRO 83 CO 0.00 0.70 0.08 0.87 -0.23 0.00 0.00 178.00 179.43 2j6p h LYS 84 N 0.96 0.66 -0.04 0.86 1.57 -1.35 0.11 116.57 119.35 2j6p h LYS 84 Ca 0.24 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2j6p h LYS 84 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2j6p h LYS 84 CO -0.04 0.69 -0.34 0.78 -0.57 0.00 0.00 179.45 179.98 2j6p h GLY 85 N 0.52 0.09 1.16 3.86 0.00 0.33 -1.91 103.07 107.13 2j6p h GLY 85 Ca 0.13 -0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 2j6p h GLY 85 CO 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 176.54 176.30 2j6p h ALA 86 N 1.59 0.65 -0.21 3.60 0.00 0.04 -1.31 119.26 123.62 2j6p h ALA 86 Ca 0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2j6p h ALA 86 Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2j6p h ALA 86 CO 0.05 0.67 0.09 -0.91 0.00 0.00 0.00 179.25 179.15 2j6p h ASN 87 N 0.78 0.29 -0.71 0.00 2.35 -0.48 -0.95 115.58 116.86 2j6p h ASN 87 Ca 0.08 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2j6p h ASN 87 Cb 0.89 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.15 2j6p h ASN 87 CO 0.08 0.35 0.47 0.03 -1.65 0.00 0.00 177.43 176.71 2j6p h ARG 88 N 0.20 0.92 -0.39 0.81 3.08 -1.26 -1.35 114.38 116.39 2j6p h ARG 88 Ca 0.07 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2j6p h ARG 88 Cb 0.15 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2j6p h ARG 88 CO -0.01 0.61 -0.01 0.35 -1.07 0.00 0.00 179.97 179.84 2j6p h PHE 89 N 0.95 0.76 -0.73 3.04 3.57 -1.10 0.30 116.94 123.73 2j6p h PHE 89 Ca 0.26 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 2j6p h PHE 89 Cb -0.10 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 2j6p h PHE 89 CO -0.03 0.79 0.22 0.00 -2.23 0.00 0.00 178.31 177.06 2j6p h ALA 90 N 0.87 0.96 -0.59 2.41 0.00 -0.87 -1.29 119.26 120.75 2j6p h ALA 90 Ca 0.11 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2j6p h ALA 90 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2j6p h ALA 90 CO 0.02 0.65 -0.01 -0.07 0.00 0.00 0.00 179.25 179.85 2j6p h LEU 91 N 1.09 1.03 -0.59 0.00 -0.00 -1.14 -0.71 115.31 114.99 2j6p h LEU 91 Ca 0.23 -0.31 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2j6p h LEU 91 Cb 0.32 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 2j6p h LEU 91 CO -0.01 1.09 0.35 0.00 -0.00 0.00 0.00 178.44 179.88 2j6p h ALA 92 N 0.98 0.75 -0.77 1.53 0.00 -0.21 -1.05 119.26 120.48 2j6p h ALA 92 Ca 0.17 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2j6p h ALA 92 Cb 0.56 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2j6p h ALA 92 CO 0.03 0.22 0.50 1.96 0.00 0.00 0.00 179.25 181.96 2j6p h GLN 93 N 0.79 0.95 -0.19 0.00 4.20 -1.03 -2.17 115.11 117.67 2j6p h GLN 93 Ca 0.21 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.66 2j6p h GLN 93 Cb -0.02 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.55 2j6p h GLN 93 CO -0.04 0.63 -0.67 -0.22 -0.67 0.00 0.00 178.83 177.86 2j6p h LYS 94 N 0.98 0.73 -0.49 1.46 3.64 -0.74 0.18 116.57 122.32 2j6p h LYS 94 Ca 0.30 -0.53 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 2j6p h LYS 94 Cb -0.03 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2j6p h LYS 94 CO -0.10 1.15 0.27 -0.22 -2.27 0.00 0.00 179.45 178.29 2j6p h LYS 95 N 0.53 0.67 0.00 1.90 3.64 -0.84 -2.72 116.57 119.75 2j6p h LYS 95 Ca -0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2j6p h LYS 95 Cb 1.28 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2j6p h LYS 95 CO 0.14 0.49 -0.71 1.28 -2.27 0.00 0.00 179.45 178.38 2j6p n LEU 96 N -4.41 0.62 0.00 5.20 4.77 -0.67 -4.93 117.00 117.58 2j6p n LEU 96 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2j6p n LEU 96 Cb 0.10 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2j6p n LEU 96 CO 0.36 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2j6p n GLY 97 N 1.39 0.83 3.93 -0.72 0.00 0.40 -5.08 105.19 105.93 2j6p n GLY 97 Ca 0.04 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2j6p n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j6p s TYR 98 N -2.00 3.43 0.00 1.61 1.51 0.08 -5.00 117.35 116.98 2j6p s TYR 98 Ca 0.00 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.13 2j6p s TYR 98 Cb 0.00 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 2j6p s TYR 98 CO 0.00 0.50 0.09 1.33 -1.11 0.00 0.00 175.55 176.36 2j6p n VAL 99 N -0.71 0.00 -4.86 0.71 0.24 -1.26 -4.02 118.33 108.42 2j6p n VAL 99 Ca -0.08 -0.22 -0.31 0.00 -2.04 0.00 0.00 64.34 61.70 2j6p n VAL 99 Cb 0.55 1.24 -0.14 0.00 -1.47 0.00 0.00 33.84 34.02 2j6p n VAL 99 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2j6p s LEU 100 N -0.50 2.35 0.63 1.34 1.02 -1.26 -3.70 118.68 118.55 2j6p s LEU 100 Ca 0.00 -0.49 -0.18 0.00 0.02 0.00 0.00 54.13 53.48 2j6p s LEU 100 Cb 0.00 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.80 2j6p s LEU 100 CO 0.00 0.27 1.25 -2.16 0.02 0.00 0.00 176.35 175.73 2j6p s PRO 101 N -1.20 2.73 0.73 1.29 0.04 -1.20 -4.40 135.00 132.99 2j6p s PRO 101 Ca 0.13 1.93 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 2j6p s PRO 101 Cb -0.10 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.59 2j6p s PRO 101 CO 0.03 -1.42 1.11 0.00 0.04 0.00 0.00 177.00 176.75 2j6p s ALA 102 N -1.53 2.30 -0.13 8.56 0.00 -0.66 -4.73 121.76 125.57 2j6p s ALA 102 Ca 0.80 0.43 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2j6p s ALA 102 Cb -0.34 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2j6p s ALA 102 CO 0.37 -1.61 -0.16 0.08 0.00 0.00 0.00 175.76 174.43 2j6p s VAL 103 N -2.61 2.69 0.15 0.00 1.01 -1.26 0.13 120.40 120.51 2j6p s VAL 103 Ca 0.65 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2j6p s VAL 103 Cb -0.19 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2j6p s VAL 103 CO 0.49 0.53 -0.14 -0.31 0.00 0.00 0.00 175.10 175.68 2j6p s TYR 104 N 0.48 1.46 -0.17 5.22 2.02 0.75 -2.52 117.35 124.59 2j6p s TYR 104 Ca -0.11 -0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 55.98 2j6p s TYR 104 Cb -0.16 -0.74 -0.00 0.00 -0.40 0.00 0.00 41.96 40.65 2j6p s TYR 104 CO 0.05 0.19 -0.12 0.08 -1.57 0.00 0.00 175.55 174.18 2j6p s VAL 105 N -2.54 2.91 -0.31 0.71 1.01 0.06 -0.02 120.40 122.22 2j6p s VAL 105 Ca 0.14 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 2j6p s VAL 105 Cb -0.03 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 2j6p s VAL 105 CO 0.03 0.49 1.80 -0.22 0.00 0.00 0.00 175.10 177.21 2j6p s LEU 106 N 0.92 3.53 -0.10 3.92 2.96 0.47 -1.31 118.68 129.08 2j6p s LEU 106 Ca -0.02 1.36 -0.35 0.00 -0.22 0.00 0.00 54.13 54.90 2j6p s LEU 106 Cb -0.15 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.90 2j6p s LEU 106 CO -0.01 -1.68 1.87 -1.14 -1.32 0.00 0.00 176.35 174.08 2j6p n ARG 107 N 8.38 2.12 -0.38 1.98 3.00 0.26 -1.31 116.66 130.71 2j6p n ARG 107 Ca 0.23 0.78 0.00 0.00 -0.00 0.00 0.00 57.85 58.85 2j6p n ARG 107 Cb 0.46 -2.61 0.00 0.00 0.00 0.00 0.00 32.46 30.31 2j6p n ARG 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2j6p n GLY 108 N 4.38 1.53 7.00 5.14 0.00 -1.22 -4.54 105.19 117.48 2j6p n GLY 108 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2j6p n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j6p n GLY 109 N -2.00 -0.01 0.33 -0.02 0.00 -0.43 -2.20 105.19 100.85 2j6p n GLY 109 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.09 2j6p n GLY 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2j6p h TRP 110 N 0.00 1.02 -0.34 1.61 2.91 -0.93 -1.72 115.95 118.50 2j6p h TRP 110 Ca 0.00 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.11 2j6p h TRP 110 Cb 0.00 -0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 28.27 2j6p h TRP 110 CO 0.00 0.48 0.03 0.93 -1.03 0.00 0.00 178.44 178.85 2j6p h GLU 111 N 0.97 0.13 -0.21 2.65 5.08 -1.34 0.39 114.58 122.25 2j6p h GLU 111 Ca 0.41 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.64 2j6p h GLU 111 Cb 0.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2j6p h GLU 111 CO -0.20 0.09 -0.36 0.00 -1.00 0.00 0.00 179.01 177.54 2j6p h ALA 112 N 1.28 1.00 -0.13 3.43 0.00 -1.17 -0.64 119.26 123.03 2j6p h ALA 112 Ca 0.16 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2j6p h ALA 112 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2j6p h ALA 112 CO -0.25 0.60 -0.06 0.35 0.00 0.00 0.00 179.25 179.90 2j6p h PHE 113 N 0.38 0.30 -0.49 0.00 3.57 -0.39 -1.32 116.94 119.00 2j6p h PHE 113 Ca 0.04 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 2j6p h PHE 113 Cb 0.81 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2j6p h PHE 113 CO 0.03 0.60 -0.17 -0.92 -2.23 0.00 0.00 178.31 175.61 2j6p h TYR 114 N -0.07 1.12 -0.75 0.41 3.20 -0.28 -0.39 116.97 120.20 2j6p h TYR 114 Ca 0.03 -0.26 0.06 0.00 3.14 0.00 0.00 58.73 61.70 2j6p h TYR 114 Cb 0.51 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 2j6p h TYR 114 CO 0.06 1.08 0.43 1.25 -1.64 0.00 0.00 178.16 179.34 2j6p h HIS 115 N 0.84 0.80 0.08 -3.82 2.76 -0.97 0.36 115.15 115.20 2j6p h HIS 115 Ca 0.12 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 58.04 2j6p h HIS 115 Cb 0.75 -0.25 0.02 0.00 1.55 0.00 0.00 27.41 29.48 2j6p h HIS 115 CO 0.05 0.38 -1.15 1.98 -1.30 0.00 0.00 177.93 177.89 2j6p h MET 116 N 0.79 0.53 -0.00 5.26 1.85 -0.88 -3.40 114.93 119.08 2j6p h MET 116 Ca 0.33 -0.67 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 2j6p h MET 116 Cb 0.20 0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.45 2j6p h MET 116 CO -0.19 1.28 -0.21 0.66 -0.40 0.00 0.00 176.91 178.05 2j6p n TYR 117 N -3.75 0.00 0.25 1.39 4.02 -0.19 -4.70 117.16 114.19 2j6p n TYR 117 Ca -0.11 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.86 2j6p n TYR 117 Cb 0.94 0.00 0.63 0.00 -0.02 0.00 0.00 39.34 40.89 2j6p n TYR 117 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2j6p h GLY 118 N 1.20 0.00 -0.23 2.72 0.00 -0.44 0.18 103.07 106.49 2j6p h GLY 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j6p h GLY 118 CO 0.00 0.00 -0.51 2.09 0.00 0.00 0.00 176.54 178.12 2j6p n ASP 119 N -4.45 1.38 0.00 0.19 5.68 -1.26 -4.29 116.55 113.80 2j6p n ASP 119 Ca -0.03 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 2j6p n ASP 119 Cb 0.12 0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 2j6p n ASP 119 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 2j6p n VAL 120 N -0.64 0.00 -2.93 2.12 3.14 -0.92 -4.80 118.33 114.30 2j6p n VAL 120 Ca 0.09 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.27 2j6p n VAL 120 Cb 0.39 0.01 -0.02 0.00 -1.06 0.00 0.00 33.84 33.17 2j6p n VAL 120 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2j6p n ARG 121 N -1.49 1.85 0.03 1.45 5.12 0.59 -4.91 116.66 119.30 2j6p n ARG 121 Ca 0.00 -3.84 0.02 0.00 -1.93 0.00 0.00 57.85 52.10 2j6p n ARG 121 Cb 0.14 -1.80 0.12 0.00 -1.16 0.00 0.00 32.46 29.77 2j6p n ARG 121 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2j6p n PRO 122 N -0.02 0.02 0.24 5.56 -0.04 -1.26 -1.16 135.00 138.35 2j6p n PRO 122 Ca 0.25 0.50 0.16 0.00 -0.04 0.00 0.00 63.50 64.36 2j6p n PRO 122 Cb 0.63 -1.58 0.60 0.00 -0.04 0.00 0.00 33.50 33.11 2j6p n PRO 122 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2j6p h ASP 123 N 0.00 0.00 0.76 3.54 2.03 -1.93 -2.40 116.42 118.43 2j6p h ASP 123 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2j6p h ASP 123 Cb 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 2j6p h ASP 123 CO 0.00 0.00 -0.70 0.18 -1.03 0.00 0.00 179.24 177.69 2j6p n LEU 124 N -2.89 0.67 -4.47 0.15 4.77 -0.31 -4.89 117.00 110.04 2j6p n LEU 124 Ca 0.01 0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.83 2j6p n LEU 124 Cb 0.31 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 2j6p n LEU 124 CO 0.26 -0.03 -0.36 -0.04 -1.33 0.00 0.00 177.39 175.90 2j6p s MET 125 N -3.17 3.63 0.19 3.23 -1.94 -1.11 -4.05 119.30 116.08 2j6p s MET 125 Ca 0.06 -0.54 0.11 0.00 -1.71 0.00 0.00 55.69 53.61 2j6p s MET 125 Cb 0.14 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.01 2j6p s MET 125 CO 0.74 0.18 -0.22 0.71 -0.01 0.00 0.00 175.02 176.41 2j6p s TYR 126 N 0.52 2.34 0.13 -0.03 1.51 -0.26 0.15 117.35 121.72 2j6p s TYR 126 Ca -0.03 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 2j6p s TYR 126 Cb -0.14 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 2j6p s TYR 126 CO 0.03 0.50 0.07 0.14 -1.11 0.00 0.00 175.55 175.18 2j6p s VAL 127 N -1.69 0.10 -0.16 0.71 -7.23 -0.70 -1.44 120.40 109.99 2j6p s VAL 127 Ca 0.21 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2j6p s VAL 127 Cb -0.08 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2j6p s VAL 127 CO 0.11 -0.47 0.06 -0.54 -0.31 0.00 0.00 175.10 173.94 2j6p s LYS 128 N -4.04 3.77 -0.07 4.82 1.02 -1.26 -2.13 119.74 121.86 2j6p s LYS 128 Ca 0.23 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.92 2j6p s LYS 128 Cb 0.07 -3.15 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2j6p s LYS 128 CO 0.01 0.40 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.52 2j6p s LEU 129 N 0.02 1.76 0.00 3.17 0.20 0.05 -4.85 118.68 119.02 2j6p s LEU 129 Ca 0.06 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.53 2j6p s LEU 129 Cb -0.12 -0.95 0.00 0.00 -0.43 0.00 0.00 46.19 44.69 2j6p s LEU 129 CO 0.01 0.07 0.00 0.61 -0.29 0.00 0.00 176.35 176.75 2j6p n GLY 130 N 3.69 -1.25 0.06 7.98 0.00 -1.26 -2.19 105.19 112.22 2j6p n GLY 130 Ca -0.22 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 2j6p n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2j6p n PRO 131 N -1.51 -0.06 -0.10 1.61 -0.01 -1.26 0.48 135.00 134.15 2j6p n PRO 131 Ca 0.00 0.23 0.11 0.00 -0.01 0.00 0.00 63.50 63.83 2j6p n PRO 131 Cb 0.00 -0.34 0.34 0.00 -0.01 0.00 0.00 33.50 33.48 2j6p n PRO 131 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 2j6p n GLU 132 N -4.07 1.87 -3.51 -0.52 1.02 -1.26 -4.94 120.64 109.24 2j6p n GLU 132 Ca 0.00 -1.31 -0.20 0.00 -0.02 0.00 0.00 57.16 55.63 2j6p n GLU 132 Cb 0.04 -1.41 0.06 0.00 -0.02 0.00 0.00 31.44 30.11 2j6p n GLU 132 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2j6p n GLN 133 N 0.54 -4.04 -3.08 3.49 6.02 0.18 -4.95 117.38 115.54 2j6p n GLN 133 Ca 0.16 0.72 -0.38 0.00 -0.01 0.00 0.00 57.00 57.49 2j6p n GLN 133 Cb 0.38 -5.37 -0.06 0.00 1.02 0.00 0.00 30.24 26.20 2j6p n GLN 133 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2j6p s LYS 134 N -5.38 4.39 0.35 -1.09 1.02 -0.93 -4.61 119.74 113.49 2j6p s LYS 134 Ca 0.20 0.98 -0.26 0.00 0.02 0.00 0.00 55.97 56.90 2j6p s LYS 134 Cb -0.04 -3.14 -0.09 0.00 -0.52 0.00 0.00 37.83 34.04 2j6p s LYS 134 CO 0.78 0.53 1.09 -0.51 -0.92 0.00 0.00 175.35 176.33 2j6p s LEU 135 N -1.39 4.31 -0.26 3.17 1.02 -1.26 -0.77 118.68 123.50 2j6p s LEU 135 Ca 0.36 2.19 -0.23 0.00 0.02 0.00 0.00 54.13 56.48 2j6p s LEU 135 Cb -0.20 -3.93 0.07 0.00 0.02 0.00 0.00 46.19 42.14 2j6p s LEU 135 CO 0.23 -0.39 0.69 -0.51 0.02 0.00 0.00 176.35 176.39 2j6p s ILE 136 N -1.41 -0.00 0.66 -0.59 2.07 -0.90 -4.93 121.20 116.09 2j6p s ILE 136 Ca 0.52 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.61 2j6p s ILE 136 Cb -0.28 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.35 2j6p s ILE 136 CO 0.35 0.00 1.15 -0.94 -1.91 0.00 0.00 174.94 173.59 2j6p s SER 137 N 0.51 4.92 0.41 4.50 1.04 -1.26 -1.73 113.70 122.09 2j6p s SER 137 Ca -0.01 2.16 0.21 0.00 0.48 0.00 0.00 55.95 58.78 2j6p s SER 137 Cb -0.05 -2.57 0.86 0.00 0.10 0.00 0.00 66.02 64.36 2j6p s SER 137 CO -0.01 -1.77 1.82 -0.33 0.98 0.00 0.00 173.24 173.93 2j6p h GLU 138 N 0.14 0.00 0.65 4.02 5.08 -0.12 0.37 114.58 124.73 2j6p h GLU 138 Ca -0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2j6p h GLU 138 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2j6p h GLU 138 CO 0.53 0.30 -0.43 1.49 -1.00 0.00 0.00 179.01 179.91 2j6p h GLU 139 N 0.00 -0.99 -0.61 2.33 4.81 -1.69 0.26 114.58 118.69 2j6p h GLU 139 Ca -0.00 0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2j6p h GLU 139 Cb 0.75 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 2j6p h GLU 139 CO 0.04 -0.66 0.30 -0.44 -0.73 0.00 0.00 179.01 177.52 2j6p h ASP 140 N -1.03 0.77 -0.75 1.04 3.32 -1.83 0.17 116.42 118.10 2j6p h ASP 140 Ca -0.08 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 2j6p h ASP 140 Cb 0.84 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 2j6p h ASP 140 CO 0.07 0.64 0.40 0.25 -1.72 0.00 0.00 179.24 178.88 2j6p h LEU 141 N 0.85 0.95 -0.35 1.55 5.85 -0.87 -0.37 115.31 122.93 2j6p h LEU 141 Ca 0.21 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2j6p h LEU 141 Cb 0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2j6p h LEU 141 CO -0.03 0.79 0.01 0.78 -0.34 0.00 0.00 178.44 179.64 2j6p h ASN 142 N 1.05 0.60 -0.32 1.25 2.35 0.15 -0.52 115.58 120.13 2j6p h ASN 142 Ca 0.26 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2j6p h ASN 142 Cb 0.05 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2j6p h ASN 142 CO -0.04 0.75 0.10 0.28 -1.65 0.00 0.00 177.43 176.87 2j6p h SER 143 N 0.42 0.09 -0.70 5.81 0.02 -0.58 -1.20 113.55 117.41 2j6p h SER 143 Ca 0.10 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2j6p h SER 143 Cb 0.44 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2j6p h SER 143 CO 0.02 0.09 0.17 0.00 -1.14 0.00 0.00 176.83 175.97 2j6p h ALA 144 N 1.21 0.97 -0.51 3.77 0.00 -0.79 -2.37 119.26 121.53 2j6p h ALA 144 Ca 0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2j6p h ALA 144 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2j6p h ALA 144 CO -0.16 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 179.99 2j6p h VAL 145 N 1.07 1.26 -2.65 0.00 2.07 -0.80 -3.41 116.25 113.79 2j6p h VAL 145 Ca 0.22 -1.13 -0.57 0.00 0.82 0.00 0.00 66.70 66.04 2j6p h VAL 145 Cb 0.37 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2j6p h VAL 145 CO 0.00 0.40 1.23 -1.81 0.02 0.00 0.00 177.57 177.41 2j6p s ASP 146 N -6.64 6.10 0.00 0.57 1.01 -0.48 -5.11 116.67 112.12 2j6p s ASP 146 Ca -0.10 1.54 0.00 0.00 0.71 0.00 0.00 52.55 54.70 2j6p s ASP 146 Cb 0.14 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.54 2j6p s ASP 146 CO 0.83 -1.50 0.00 1.41 0.21 0.00 0.00 175.17 176.12