#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 0.22 -2.53 -0.85 -1.26 -4.73 117.35 107.91 2j6p s TYR 4 Ca 0.00 -0.07 0.06 0.00 -0.52 0.00 0.00 57.07 56.55 2j6p s TYR 4 Cb 0.00 0.65 -0.05 0.00 0.38 0.00 0.00 41.96 42.94 2j6p s TYR 4 CO 0.00 -1.07 -0.10 0.95 -1.52 0.00 0.00 175.55 173.81 2j6p s THR 5 N -3.80 1.56 0.27 -3.49 -4.23 -0.89 -4.96 115.64 100.10 2j6p s THR 5 Ca 0.08 -2.15 -0.27 0.00 -1.18 0.00 0.00 61.69 58.17 2j6p s THR 5 Cb -0.04 -2.19 -0.09 0.00 1.34 0.00 0.00 72.50 71.52 2j6p s THR 5 CO 0.00 -0.49 0.91 -0.31 -0.54 0.00 0.00 174.62 174.19 2j6p s TYR 6 N -3.08 3.81 -0.18 3.99 1.51 -1.26 -1.77 117.35 120.37 2j6p s TYR 6 Ca 0.25 1.78 -0.02 0.00 -1.01 0.00 0.00 57.07 58.07 2j6p s TYR 6 Cb 0.02 -2.90 -0.01 0.00 -0.11 0.00 0.00 41.96 38.96 2j6p s TYR 6 CO 0.08 0.34 -0.10 -1.50 -1.11 0.00 0.00 175.55 173.26 2j6p s ILE 7 N -1.42 3.07 0.63 2.71 2.07 -0.36 -4.88 121.20 123.02 2j6p s ILE 7 Ca 0.45 -0.62 -0.16 0.00 -1.41 0.00 0.00 60.65 58.92 2j6p s ILE 7 Cb -0.21 -2.35 -0.02 0.00 0.13 0.00 0.00 42.46 40.01 2j6p s ILE 7 CO 0.27 0.48 1.10 -0.54 -1.91 0.00 0.00 174.94 174.34 2j6p s LYS 8 N 1.06 2.99 0.48 3.50 1.02 -1.26 -1.75 119.74 125.77 2j6p s LYS 8 Ca -0.00 1.40 0.21 0.00 0.02 0.00 0.00 55.97 57.60 2j6p s LYS 8 Cb -0.15 -1.97 1.24 0.00 -0.52 0.00 0.00 37.83 36.43 2j6p s LYS 8 CO -0.02 -1.10 1.96 -1.35 -0.92 0.00 0.00 175.35 173.92 2j6p h PRO 9 N 0.32 0.18 -0.57 -1.68 0.11 -1.96 -1.70 132.00 126.70 2j6p h PRO 9 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2j6p h PRO 9 Cb 1.24 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2j6p h PRO 9 CO 0.55 0.12 0.22 0.93 -0.21 0.00 0.00 178.00 179.61 2j6p h GLU 10 N 0.19 0.86 -0.41 1.05 3.07 -1.99 0.04 114.58 117.39 2j6p h GLU 10 Ca 0.30 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.36 58.93 2j6p h GLU 10 Cb 0.94 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 2j6p h GLU 10 CO -0.05 0.75 -0.06 0.93 -1.40 0.00 0.00 179.01 179.18 2j6p h GLU 11 N 0.79 0.70 0.38 2.33 5.08 -1.77 -1.45 114.58 120.65 2j6p h GLU 11 Ca 0.19 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2j6p h GLU 11 Cb 0.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2j6p h GLU 11 CO -0.01 0.75 -0.18 1.25 -1.00 0.00 0.00 179.01 179.81 2j6p h LEU 12 N 0.65 -0.44 -1.75 1.33 5.85 -0.63 -2.65 115.31 117.67 2j6p h LEU 12 Ca 0.12 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2j6p h LEU 12 Cb 0.49 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2j6p h LEU 12 CO 0.03 -0.21 0.28 -0.37 -0.34 0.00 0.00 178.44 177.82 2j6p h VAL 13 N -0.64 0.95 -0.37 1.05 -1.51 -0.88 -0.16 116.25 114.69 2j6p h VAL 13 Ca -0.05 -0.11 0.03 0.00 -1.23 0.00 0.00 66.70 65.34 2j6p h VAL 13 Cb 0.47 0.62 -0.03 0.00 -2.13 0.00 0.00 31.29 30.21 2j6p h VAL 13 CO 0.09 0.06 0.16 -0.08 -1.23 0.00 0.00 177.57 176.57 2j6p h GLU 14 N 0.31 0.33 -0.59 5.19 4.81 -1.14 -1.04 114.58 122.45 2j6p h GLU 14 Ca 0.18 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2j6p h GLU 14 Cb 0.32 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2j6p h GLU 14 CO -0.04 0.22 0.26 -0.07 -0.73 0.00 0.00 179.01 178.65 2j6p h LEU 15 N 0.34 0.77 -0.63 1.64 3.38 -0.87 -2.88 115.31 117.06 2j6p h LEU 15 Ca 0.16 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 2j6p h LEU 15 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2j6p h LEU 15 CO -0.13 0.67 -0.62 -0.07 0.09 0.00 0.00 178.44 178.38 2j6p h LEU 16 N 0.84 0.26 0.12 1.67 3.38 -0.65 -3.25 115.31 117.68 2j6p h LEU 16 Ca 0.20 -0.15 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 2j6p h LEU 16 Cb 0.13 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.82 2j6p h LEU 16 CO -0.02 0.81 -1.27 0.44 0.09 0.00 0.00 178.44 178.50 2j6p h ASP 17 N 0.17 0.63 -1.30 -0.43 3.32 -0.98 -3.43 116.42 114.40 2j6p h ASP 17 Ca -0.01 -0.64 -0.71 0.00 0.02 0.00 0.00 57.03 55.69 2j6p h ASP 17 Cb 1.13 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 2j6p h ASP 17 CO 0.10 1.48 1.11 -3.20 -1.72 0.00 0.00 179.24 177.01 2j6p n ASN 18 N -3.66 2.24 0.22 6.45 5.15 -1.18 -4.91 115.26 119.57 2j6p n ASN 18 Ca -0.11 0.83 0.15 0.00 -0.60 0.00 0.00 54.58 54.84 2j6p n ASN 18 Cb 1.01 -1.17 0.50 0.00 -0.53 0.00 0.00 39.78 39.59 2j6p n ASN 18 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2j6p h PRO 19 N 9.11 0.00 0.12 1.20 0.13 -1.86 0.33 132.00 141.03 2j6p h PRO 19 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 2j6p h PRO 19 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2j6p h PRO 19 CO 0.99 0.00 -0.06 0.22 -0.23 0.00 0.00 178.00 178.92 2j6p h ASP 20 N 0.00 -0.13 0.00 1.44 1.82 -1.92 -3.23 116.42 114.40 2j6p h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2j6p h ASP 20 Cb 0.63 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.67 2j6p h ASP 20 CO 0.00 0.19 0.00 -0.24 -1.61 0.00 0.00 179.24 177.58 2j6p n SER 21 N -4.03 0.00 0.05 2.28 2.88 -1.25 -2.21 113.62 111.33 2j6p n SER 21 Ca -0.02 -0.78 -0.20 0.00 -1.33 0.00 0.00 58.87 56.54 2j6p n SER 21 Cb 0.06 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.41 2j6p n SER 21 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2j6p h LEU 22 N 0.00 0.80 -0.18 2.46 3.38 -0.95 -3.30 115.31 117.52 2j6p h LEU 22 Ca 0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2j6p h LEU 22 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2j6p h LEU 22 CO 0.00 1.48 0.00 1.33 0.09 0.00 0.00 178.44 181.34 2j6p n VAL 23 N -3.94 0.59 1.72 1.22 0.24 -0.94 -2.20 118.33 115.02 2j6p n VAL 23 Ca -0.12 -0.04 0.13 0.00 -2.04 0.00 0.00 64.34 62.27 2j6p n VAL 23 Cb 0.86 -0.76 0.65 0.00 -1.47 0.00 0.00 33.84 33.11 2j6p n VAL 23 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2j6p n LYS 24 N -2.04 1.32 -4.81 7.34 5.02 -1.19 -4.61 118.16 119.19 2j6p n LYS 24 Ca 0.05 -0.47 -0.25 0.00 -2.02 0.00 0.00 58.31 55.62 2j6p n LYS 24 Cb 0.33 -1.43 -0.16 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.96 1.44 0.05 7.82 0.00 -0.94 -0.06 121.76 128.10 2j6p s ALA 25 Ca 0.38 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.72 2j6p s ALA 25 Cb 0.19 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2j6p s ALA 25 CO 0.31 0.31 -0.23 0.00 0.00 0.00 0.00 175.76 176.15 2j6p s ALA 26 N -0.20 1.96 -0.21 0.00 0.00 0.11 -4.95 121.76 118.46 2j6p s ALA 26 Ca 0.02 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 2j6p s ALA 26 Cb -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.65 2j6p s ALA 26 CO 0.00 0.45 -0.11 0.08 0.00 0.00 0.00 175.76 176.19 2j6p s VAL 27 N -0.81 2.78 -0.33 0.00 1.01 -1.26 0.08 120.40 121.87 2j6p s VAL 27 Ca 0.09 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2j6p s VAL 27 Cb -0.09 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2j6p s VAL 27 CO 0.02 0.43 0.15 -0.63 0.00 0.00 0.00 175.10 175.07 2j6p s ILE 28 N 1.38 4.43 -0.44 2.22 1.09 0.24 -0.24 121.20 129.88 2j6p s ILE 28 Ca 0.05 -0.65 -0.22 0.00 -1.10 0.00 0.00 60.65 58.73 2j6p s ILE 28 Cb -0.14 -3.35 0.02 0.00 -1.06 0.00 0.00 42.46 37.94 2j6p s ILE 28 CO -0.07 -0.04 0.72 -0.62 -0.10 0.00 0.00 174.94 174.83 2j6p s ASP 29 N 1.56 6.38 0.00 3.58 -1.08 0.12 -0.70 116.67 126.53 2j6p s ASP 29 Ca 0.03 -0.20 0.20 0.00 -0.52 0.00 0.00 52.55 52.06 2j6p s ASP 29 Cb -0.18 -2.36 0.54 0.00 -1.46 0.00 0.00 42.92 39.47 2j6p s ASP 29 CO 0.05 -0.86 1.45 0.00 0.52 0.00 0.00 175.17 176.34 2j6p s ARG 31 N -1.23 -0.17 0.00 0.00 3.00 -1.26 -2.14 118.95 117.15 2j6p s ARG 31 Ca 0.41 0.34 0.00 0.00 0.00 0.00 0.00 55.73 56.48 2j6p s ARG 31 Cb 0.22 -1.68 0.00 0.00 0.00 0.00 0.00 34.95 33.48 2j6p s ARG 31 CO 0.28 -3.09 0.00 -0.40 0.00 0.00 0.00 175.30 172.09 2j6p n ASP 32 N -4.40 0.00 0.03 0.23 5.75 -1.26 -4.16 116.55 112.74 2j6p n ASP 32 Ca 0.07 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.99 2j6p n ASP 32 Cb 0.58 0.00 0.51 0.00 -1.03 0.00 0.00 41.12 41.18 2j6p n ASP 32 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2j6p n SER 33 N 0.00 0.29 -0.92 -1.12 3.41 -1.26 -3.22 113.62 110.80 2j6p n SER 33 Ca 0.00 0.43 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 2j6p n SER 33 Cb 0.00 -0.47 0.23 0.00 -0.26 0.00 0.00 64.21 63.71 2j6p n SER 33 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2j6p n ASP 34 N -1.73 2.81 -0.29 4.04 5.75 -1.26 -4.54 116.55 121.33 2j6p n ASP 34 Ca 0.06 -1.90 0.04 0.00 -0.01 0.00 0.00 54.79 52.99 2j6p n ASP 34 Cb 0.37 -0.11 0.25 0.00 -1.03 0.00 0.00 41.12 40.60 2j6p n ASP 34 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2j6p h ARG 35 N 4.00 0.97 0.00 0.11 0.11 -1.84 -3.03 114.38 114.70 2j6p h ARG 35 Ca 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2j6p h ARG 35 Cb 0.87 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2j6p h ARG 35 CO 0.00 0.64 0.00 -0.25 0.10 0.00 0.00 179.97 180.46 2j6p n ASP 36 N -4.49 0.00 -0.26 0.08 8.00 -1.26 -3.81 116.55 114.80 2j6p n ASP 36 Ca 0.13 -1.36 0.02 0.00 0.71 0.00 0.00 54.79 54.29 2j6p n ASP 36 Cb 0.21 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.31 1.50 3.43 0.00 0.00 -1.25 -4.94 105.19 102.63 2j6p n GLY 38 Ca 0.12 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 -0.51 0.27 1.61 -0.12 0.19 -4.95 117.98 112.46 2j6p s PHE 39 Ca 0.00 0.31 -0.29 0.00 -0.05 0.00 0.00 56.93 56.90 2j6p s PHE 39 Cb 0.00 0.56 -0.09 0.00 -0.63 0.00 0.00 43.02 42.85 2j6p s PHE 39 CO 0.00 -0.82 1.25 0.42 -0.05 0.00 0.00 175.22 176.03 2j6p s ILE 40 N -3.68 3.11 0.35 -4.49 1.01 -1.26 -1.55 121.20 114.69 2j6p s ILE 40 Ca 0.02 1.03 -0.28 0.00 0.00 0.00 0.00 60.65 61.42 2j6p s ILE 40 Cb -0.01 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 2j6p s ILE 40 CO -0.12 0.21 1.28 0.54 0.00 0.00 0.00 174.94 176.84 2j6p s VAL 41 N -0.66 2.79 -1.25 2.92 0.11 -1.26 -2.50 120.40 120.55 2j6p s VAL 41 Ca 0.51 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 60.33 2j6p s VAL 41 Cb -0.36 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 2j6p s VAL 41 CO 0.44 0.16 0.00 0.59 -3.33 0.00 0.00 175.10 172.96 2j6p n ASN 42 N 0.64 -3.81 -4.74 3.54 3.02 -1.26 -4.99 115.26 107.66 2j6p n ASN 42 Ca 0.01 0.24 -0.37 0.00 -0.03 0.00 0.00 54.58 54.44 2j6p n ASN 42 Cb 0.43 -3.37 0.05 0.00 -0.61 0.00 0.00 39.78 36.28 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 -2.07 4.87 -0.15 6.41 1.04 -1.04 -4.66 113.70 118.10 2j6p s SER 43 Ca 0.00 2.54 -0.11 0.00 0.48 0.00 0.00 55.95 58.86 2j6p s SER 43 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 2j6p s SER 43 CO 0.00 -1.82 0.21 -0.63 0.98 0.00 0.00 173.24 171.98 2j6p s ILE 44 N -1.47 5.37 -0.44 -1.02 1.01 0.66 -4.88 121.20 120.43 2j6p s ILE 44 Ca 0.80 0.37 -0.24 0.00 0.00 0.00 0.00 60.65 61.58 2j6p s ILE 44 Cb -0.35 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.62 2j6p s ILE 44 CO 0.37 0.49 0.84 0.20 0.00 0.00 0.00 174.94 176.83 2j6p s ASN 45 N -0.12 6.46 -0.75 3.58 0.01 -1.26 0.15 114.94 123.02 2j6p s ASN 45 Ca 0.14 0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.35 2j6p s ASN 45 Cb -0.12 -2.41 0.18 0.00 0.41 0.00 0.00 41.25 39.31 2j6p s ASN 45 CO 0.03 -0.94 0.57 -0.32 -1.51 0.00 0.00 177.10 174.93 2j6p s MET 46 N 3.43 2.71 -0.28 -0.60 1.75 -0.67 -4.97 119.30 120.67 2j6p s MET 46 Ca 0.33 -3.25 -0.28 0.00 -1.25 0.00 0.00 55.69 51.24 2j6p s MET 46 Cb -0.12 -3.61 -0.03 0.00 2.84 0.00 0.00 34.83 33.91 2j6p s MET 46 CO 0.23 -1.26 2.01 -1.25 -0.65 0.00 0.00 175.02 174.10 2j6p s PRO 47 N -1.29 3.21 0.31 4.11 0.04 -1.26 -4.23 135.00 135.89 2j6p s PRO 47 Ca 0.25 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.07 2j6p s PRO 47 Cb -0.08 -4.29 0.83 0.00 0.04 0.00 0.00 34.50 31.00 2j6p s PRO 47 CO -0.14 -2.01 1.73 1.15 0.04 0.00 0.00 177.00 177.77 2j6p h THR 48 N 6.99 0.54 0.00 1.26 2.02 -1.68 -1.75 112.91 120.28 2j6p h THR 48 Ca -0.37 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2j6p h THR 48 Cb 1.20 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2j6p h THR 48 CO 1.00 0.10 -0.06 -0.29 0.37 0.00 0.00 175.52 176.64 2j6p h ILE 49 N 0.55 0.73 0.00 3.11 2.10 -1.87 -3.28 117.51 118.85 2j6p h ILE 49 Ca 0.62 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 66.31 2j6p h ILE 49 Cb 1.15 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 2j6p h ILE 49 CO -0.48 0.06 0.00 -1.54 -1.08 0.00 0.00 178.15 175.11 2j6p n SER 50 N -4.01 0.56 -4.78 2.19 3.41 -0.73 -5.07 113.62 105.19 2j6p n SER 50 Ca -0.03 -0.81 -0.37 0.00 -0.26 0.00 0.00 58.87 57.41 2j6p n SER 50 Cb 0.15 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.58 2.62 0.24 0.00 -4.23 -1.26 -5.02 115.64 106.41 2j6p s THR 52 Ca 0.60 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 2j6p s THR 52 Cb -0.26 -2.82 0.25 0.00 1.34 0.00 0.00 72.50 71.01 2j6p s THR 52 CO 0.32 -0.18 1.66 -0.08 -0.54 0.00 0.00 174.62 175.80 2j6p h GLU 53 N 1.77 0.18 -0.13 3.99 4.81 -2.00 -1.19 114.58 122.01 2j6p h GLU 53 Ca -0.43 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2j6p h GLU 53 Cb 1.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2j6p h GLU 53 CO 0.67 0.12 0.07 1.49 -0.73 0.00 0.00 179.01 180.63 2j6p h GLU 54 N 0.19 0.17 -0.56 1.92 4.81 -1.99 -2.07 114.58 117.05 2j6p h GLU 54 Ca 0.41 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.56 2j6p h GLU 54 Cb 0.72 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2j6p h GLU 54 CO -0.57 0.12 0.07 0.52 -0.73 0.00 0.00 179.01 178.42 2j6p h MET 55 N 0.17 0.91 0.05 1.92 2.86 -1.61 0.16 114.93 119.39 2j6p h MET 55 Ca 0.05 -0.23 -0.28 0.00 -2.06 0.00 0.00 59.70 57.18 2j6p h MET 55 Cb 0.00 -0.11 0.02 0.00 0.06 0.00 0.00 31.60 31.57 2j6p h MET 55 CO -0.01 0.86 -1.12 1.88 1.06 0.00 0.00 176.91 179.58 2j6p h TYR 56 N 0.86 1.04 -0.49 -0.22 -1.99 -1.33 -1.79 116.97 113.04 2j6p h TYR 56 Ca 0.17 -0.60 0.10 0.00 2.00 0.00 0.00 58.73 60.40 2j6p h TYR 56 Cb 0.41 -0.10 -0.10 0.00 2.00 0.00 0.00 36.73 38.93 2j6p h TYR 56 CO 0.02 1.44 -0.27 0.93 -0.00 0.00 0.00 178.16 180.28 2j6p h GLU 57 N 0.35 -0.15 -0.52 4.88 5.08 -1.21 0.77 114.58 123.77 2j6p h GLU 57 Ca -0.15 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2j6p h GLU 57 Cb 1.78 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 2j6p h GLU 57 CO 0.22 -0.10 0.10 0.87 -1.00 0.00 0.00 179.01 179.09 2j6p h LYS 58 N -0.16 0.86 0.38 2.33 1.57 -0.68 -1.32 116.57 119.56 2j6p h LYS 58 Ca 0.22 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2j6p h LYS 58 Cb 0.51 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2j6p h LYS 58 CO -0.58 0.83 -0.32 1.25 -0.57 0.00 0.00 179.45 180.06 2j6p h LEU 59 N 0.75 -0.84 -0.75 2.94 6.46 -0.97 0.23 115.31 123.12 2j6p h LEU 59 Ca 0.16 0.07 0.16 0.00 -0.12 0.00 0.00 57.88 58.15 2j6p h LEU 59 Cb 0.38 0.28 -0.14 0.00 -0.73 0.00 0.00 40.66 40.45 2j6p h LEU 59 CO 0.01 -0.47 -0.10 0.00 -0.62 0.00 0.00 178.44 177.25 2j6p h ALA 60 N -0.22 0.62 0.26 1.25 0.00 0.81 -0.32 119.26 121.67 2j6p h ALA 60 Ca -0.03 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2j6p h ALA 60 Cb 0.62 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2j6p h ALA 60 CO -0.02 -0.42 -0.21 -0.22 0.00 0.00 0.00 179.25 178.38 2j6p h LYS 61 N 0.04 -0.46 -0.37 0.00 3.64 -1.05 -1.52 116.57 116.85 2j6p h LYS 61 Ca 0.38 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.85 2j6p h LYS 61 Cb 0.63 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 2j6p h LYS 61 CO -0.73 -0.30 0.09 1.15 -2.27 0.00 0.00 179.45 177.39 2j6p h THR 62 N -0.47 0.84 -0.26 1.00 2.02 -0.05 0.53 112.91 116.52 2j6p h THR 62 Ca -0.01 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 2j6p h THR 62 Cb 0.42 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2j6p h THR 62 CO -0.02 0.04 -0.07 -0.07 0.37 0.00 0.00 175.52 175.77 2j6p h LEU 63 N 0.23 0.51 -0.50 2.58 3.38 -0.90 -1.36 115.31 119.25 2j6p h LEU 63 Ca 0.17 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.83 2j6p h LEU 63 Cb 0.19 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 2j6p h LEU 63 CO -0.21 0.77 -0.55 0.15 0.09 0.00 0.00 178.44 178.69 2j6p h PHE 64 N 0.25 -1.68 -0.58 1.13 3.57 -0.93 -1.80 116.94 116.89 2j6p h PHE 64 Ca 0.06 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.71 2j6p h PHE 64 Cb 0.55 0.80 -0.07 0.00 2.79 0.00 0.00 35.95 40.02 2j6p h PHE 64 CO 0.05 -0.47 -0.39 0.93 -2.23 0.00 0.00 178.31 176.20 2j6p h GLU 65 N -0.33 -0.06 0.00 1.11 4.39 -0.45 0.14 114.58 119.38 2j6p h GLU 65 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2j6p h GLU 65 Cb 0.57 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2j6p h GLU 65 CO -0.65 -0.04 0.00 0.39 -1.16 0.00 0.00 179.01 177.55 2j6p n GLU 66 N -4.51 0.38 -1.13 2.33 1.02 -0.55 -4.82 120.64 113.37 2j6p n GLU 66 Ca 0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2j6p n GLU 66 Cb 0.19 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.66 -0.71 -2.10 3.49 4.01 0.49 -4.98 118.16 117.70 2j6p n LYS 67 Ca 0.03 0.51 -0.36 0.00 -0.51 0.00 0.00 58.31 57.98 2j6p n LYS 67 Cb 0.01 -4.25 0.02 0.00 -0.51 0.00 0.00 35.03 30.31 2j6p n LYS 67 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2j6p s LYS 68 N -1.78 3.14 -0.01 1.97 -0.14 -1.01 -4.84 119.74 117.06 2j6p s LYS 68 Ca 0.00 1.77 0.05 0.00 -1.36 0.00 0.00 55.97 56.43 2j6p s LYS 68 Cb 0.00 -1.98 -0.08 0.00 -1.68 0.00 0.00 37.83 34.08 2j6p s LYS 68 CO 0.00 -1.06 0.11 0.39 -0.76 0.00 0.00 175.35 174.03 2j6p n GLU 69 N -1.43 0.53 -3.97 1.68 1.02 0.91 -3.11 120.64 116.28 2j6p n GLU 69 Ca 0.13 -0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 2j6p n GLU 69 Cb 0.50 -1.13 -0.17 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 -3.50 1.09 -0.31 -4.62 1.02 -0.59 -0.75 118.68 111.03 2j6p s LEU 70 Ca -0.02 -0.06 -0.05 0.00 0.02 0.00 0.00 54.13 54.01 2j6p s LEU 70 Cb 0.03 -0.33 0.03 0.00 0.02 0.00 0.00 46.19 45.94 2j6p s LEU 70 CO 0.22 -0.11 0.06 0.00 0.02 0.00 0.00 176.35 176.54 2j6p s ALA 71 N 1.18 2.97 -0.38 4.21 0.00 -0.39 0.09 121.76 129.44 2j6p s ALA 71 Ca -0.07 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 50.16 2j6p s ALA 71 Cb -0.14 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 20.92 2j6p s ALA 71 CO -0.02 -1.12 0.22 0.08 0.00 0.00 0.00 175.76 174.92 2j6p s VAL 72 N 1.40 4.57 -0.00 0.00 1.01 0.11 -0.77 120.40 126.72 2j6p s VAL 72 Ca -0.01 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 2j6p s VAL 72 Cb -0.18 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2j6p s VAL 72 CO 0.01 -0.28 0.58 -0.36 0.00 0.00 0.00 175.10 175.05 2j6p s PHE 73 N 1.54 3.69 0.05 5.22 0.40 0.17 0.80 117.98 129.85 2j6p s PHE 73 Ca 0.02 1.18 -0.10 0.00 -0.60 0.00 0.00 56.93 57.43 2j6p s PHE 73 Cb -0.20 -2.59 0.01 0.00 0.51 0.00 0.00 43.02 40.75 2j6p s PHE 73 CO 0.06 0.37 0.21 -3.38 0.70 0.00 0.00 175.22 173.18 2j6p s HIS 74 N -0.25 0.05 0.00 0.36 -3.43 0.12 -1.57 115.29 110.56 2j6p s HIS 74 Ca 0.30 -0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.27 2j6p s HIS 74 Cb -0.18 -0.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.95 2j6p s HIS 74 CO 0.17 -0.46 0.00 0.00 -2.00 0.00 0.00 174.74 172.45 2j6p h ALA 76 N 1.00 0.02 -0.00 0.00 0.00 -1.94 -0.69 119.26 117.65 2j6p h ALA 76 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2j6p h ALA 76 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2j6p h ALA 76 CO 0.00 0.29 -0.15 1.04 0.00 0.00 0.00 179.25 180.44 2j6p n GLN 77 N -4.35 3.75 -3.26 0.00 6.02 -1.26 -1.51 117.38 116.77 2j6p n GLN 77 Ca -0.15 -0.24 -0.24 0.00 -0.01 0.00 0.00 57.00 56.36 2j6p n GLN 77 Cb 0.66 -0.83 0.03 0.00 1.02 0.00 0.00 30.24 31.12 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 -0.68 -5.35 -0.05 1.08 7.64 -1.26 -3.45 113.62 111.54 2j6p n SER 78 Ca 0.01 -0.39 -0.05 0.00 1.01 0.00 0.00 58.87 59.46 2j6p n SER 78 Cb 0.09 -4.33 -0.09 0.00 -1.01 0.00 0.00 64.21 58.86 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 -4.11 0.00 0.03 -3.43 4.77 -1.26 -4.66 117.00 108.34 2j6p n LEU 79 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2j6p n LEU 79 Cb 0.58 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2j6p n LEU 79 CO 0.53 0.26 0.00 0.52 -1.33 0.00 0.00 177.39 177.37 2j6p n VAL 80 N -2.39 0.62 -0.00 4.08 0.31 -1.26 -4.79 118.33 114.90 2j6p n VAL 80 Ca -0.18 0.20 -0.18 0.00 -0.01 0.00 0.00 64.34 64.18 2j6p n VAL 80 Cb 0.83 -1.27 -0.09 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.64 -0.23 5.55 3.08 -1.92 -2.97 114.38 118.53 2j6p h ARG 81 Ca 0.00 -0.59 -0.07 0.00 0.07 0.00 0.00 59.98 59.39 2j6p h ARG 81 Cb 0.00 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2j6p h ARG 81 CO 0.00 1.20 -0.13 0.00 -1.07 0.00 0.00 179.97 179.97 2j6p h ALA 82 N 0.45 0.32 -0.46 0.04 0.00 -1.88 0.86 119.26 118.59 2j6p h ALA 82 Ca -0.07 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.60 2j6p h ALA 82 Cb 1.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2j6p h ALA 82 CO 0.15 0.19 0.31 -1.35 0.00 0.00 0.00 179.25 178.56 2j6p h PRO 83 N 0.20 0.29 -0.06 0.00 0.11 -1.83 0.13 132.00 130.83 2j6p h PRO 83 Ca 0.05 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.90 2j6p h PRO 83 Cb 0.64 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.70 2j6p h PRO 83 CO 0.04 0.19 -0.91 -0.22 -0.21 0.00 0.00 178.00 176.89 2j6p h LYS 84 N 0.30 0.66 -0.26 1.05 3.64 -1.31 -0.69 116.57 119.95 2j6p h LYS 84 Ca 0.21 -0.64 0.06 0.00 -1.27 0.00 0.00 60.65 59.02 2j6p h LYS 84 Cb 0.44 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 2j6p h LYS 84 CO -0.05 1.24 -0.23 0.78 -2.27 0.00 0.00 179.45 178.93 2j6p h GLY 85 N 0.67 -0.11 1.00 5.01 0.00 0.86 0.10 103.07 110.59 2j6p h GLY 85 Ca -0.09 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2j6p h GLY 85 CO 0.18 -0.19 0.20 0.00 0.00 0.00 0.00 176.54 176.73 2j6p h ALA 86 N 0.86 0.40 -0.41 3.60 0.00 -0.79 0.12 119.26 123.03 2j6p h ALA 86 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2j6p h ALA 86 Cb 0.44 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2j6p h ALA 86 CO -0.39 -0.14 0.10 -0.91 0.00 0.00 0.00 179.25 177.92 2j6p h ASN 87 N 0.42 0.06 -0.47 0.00 2.35 -0.88 -0.21 115.58 116.85 2j6p h ASN 87 Ca 0.11 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 2j6p h ASN 87 Cb -0.04 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2j6p h ASN 87 CO -0.02 0.07 -0.23 0.03 -1.65 0.00 0.00 177.43 175.62 2j6p h ARG 88 N 0.24 0.99 -0.12 0.81 3.08 -0.71 -1.70 114.38 116.98 2j6p h ARG 88 Ca 0.20 -0.44 0.02 0.00 0.07 0.00 0.00 59.98 59.84 2j6p h ARG 88 Cb 0.23 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2j6p h ARG 88 CO -0.24 1.11 -0.03 0.35 -1.07 0.00 0.00 179.97 180.09 2j6p h PHE 89 N 0.84 -0.06 -0.65 3.04 3.57 -0.59 -1.43 116.94 121.66 2j6p h PHE 89 Ca 0.10 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2j6p h PHE 89 Cb 0.82 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2j6p h PHE 89 CO 0.05 -0.05 0.43 0.00 -2.23 0.00 0.00 178.31 176.51 2j6p h ALA 90 N 1.12 1.57 -0.26 2.41 0.00 -0.94 -1.24 119.26 121.91 2j6p h ALA 90 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2j6p h ALA 90 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2j6p h ALA 90 CO -0.12 0.39 -0.06 1.25 0.00 0.00 0.00 179.25 180.71 2j6p h LEU 91 N 0.85 0.50 -1.25 0.00 6.46 -0.80 -1.65 115.31 119.41 2j6p h LEU 91 Ca 0.24 -0.36 0.07 0.00 -0.12 0.00 0.00 57.88 57.71 2j6p h LEU 91 Cb -0.05 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.69 2j6p h LEU 91 CO -0.06 0.75 0.54 0.00 -0.62 0.00 0.00 178.44 179.05 2j6p h ALA 92 N 0.77 1.61 -0.02 1.25 0.00 -0.71 -0.92 119.26 121.24 2j6p h ALA 92 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2j6p h ALA 92 Cb 0.52 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2j6p h ALA 92 CO 0.02 0.26 -0.02 1.96 0.00 0.00 0.00 179.25 181.48 2j6p h GLN 93 N 0.90 0.04 0.08 0.00 4.20 -0.99 -1.18 115.11 118.16 2j6p h GLN 93 Ca 0.36 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.07 2j6p h GLN 93 Cb 0.24 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2j6p h GLN 93 CO -0.13 0.50 -0.30 -0.22 -0.67 0.00 0.00 178.83 178.01 2j6p h LYS 94 N -0.41 -0.48 -0.71 1.46 3.64 -1.15 0.42 116.57 119.35 2j6p h LYS 94 Ca 0.00 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.57 2j6p h LYS 94 Cb 0.49 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 32.30 2j6p h LYS 94 CO 0.00 -0.32 0.06 -0.22 -2.27 0.00 0.00 179.45 176.71 2j6p h LYS 95 N -0.49 0.15 -0.08 1.90 3.64 -1.23 -2.16 116.57 118.31 2j6p h LYS 95 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2j6p h LYS 95 Cb 0.54 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2j6p h LYS 95 CO -0.20 0.10 0.00 1.28 -2.27 0.00 0.00 179.45 178.36 2j6p n LEU 96 N -5.27 0.93 -3.57 5.20 4.77 -0.45 -4.92 117.00 113.70 2j6p n LEU 96 Ca 0.13 -0.37 -0.20 0.00 -0.03 0.00 0.00 56.01 55.53 2j6p n LEU 96 Cb 0.44 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2j6p n LEU 96 CO 0.09 0.19 0.08 0.61 -1.33 0.00 0.00 177.39 177.03 2j6p n GLY 97 N 1.01 -0.38 3.76 -0.72 0.00 0.12 -5.04 105.19 103.93 2j6p n GLY 97 Ca 0.16 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.44 3.19 -0.40 1.61 4.12 0.67 -5.00 117.35 118.10 2j6p s TYR 98 Ca 0.14 0.11 0.08 0.00 0.02 0.00 0.00 57.07 57.42 2j6p s TYR 98 Cb -0.06 -1.66 -0.07 0.00 -1.52 0.00 0.00 41.96 38.64 2j6p s TYR 98 CO 0.76 0.52 0.35 1.33 0.02 0.00 0.00 175.55 178.53 2j6p n VAL 99 N 0.86 0.00 -4.49 0.71 0.24 -1.26 -4.20 118.33 110.18 2j6p n VAL 99 Ca -0.11 -0.33 -0.24 0.00 -2.04 0.00 0.00 64.34 61.62 2j6p n VAL 99 Cb 0.52 1.01 -0.14 0.00 -1.47 0.00 0.00 33.84 33.77 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 -2.26 2.19 0.83 1.34 1.43 -1.26 -3.85 118.68 117.11 2j6p s LEU 100 Ca 0.03 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 2j6p s LEU 100 Cb 0.06 -0.85 0.09 0.00 0.03 0.00 0.00 46.19 45.51 2j6p s LEU 100 CO 0.30 0.10 1.13 -0.81 0.23 0.00 0.00 176.35 177.30 2j6p n PRO 101 N 1.71 0.04 -1.56 1.29 -0.04 -1.18 -4.31 135.00 130.95 2j6p n PRO 101 Ca -0.18 0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 63.06 2j6p n PRO 101 Cb 0.54 -2.38 0.06 0.00 -0.04 0.00 0.00 33.50 31.68 2j6p n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j6p s ALA 102 N -2.23 2.60 -0.16 0.55 0.00 0.07 -4.79 121.76 117.81 2j6p s ALA 102 Ca 0.71 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.71 2j6p s ALA 102 Cb -0.28 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 2j6p s ALA 102 CO 0.53 -1.32 -0.14 0.08 0.00 0.00 0.00 175.76 174.91 2j6p s VAL 103 N -3.06 2.76 0.11 0.00 1.01 -1.26 -1.26 120.40 118.70 2j6p s VAL 103 Ca 0.59 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2j6p s VAL 103 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2j6p s VAL 103 CO 0.55 0.51 -0.18 -0.31 0.00 0.00 0.00 175.10 175.67 2j6p s TYR 104 N 0.82 1.59 -0.21 5.22 2.02 0.05 -2.10 117.35 124.75 2j6p s TYR 104 Ca -0.05 -0.46 -0.05 0.00 -0.37 0.00 0.00 57.07 56.14 2j6p s TYR 104 Cb -0.15 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2j6p s TYR 104 CO -0.00 0.18 -0.00 0.08 -1.57 0.00 0.00 175.55 174.24 2j6p s VAL 105 N -1.54 3.86 -0.25 0.71 1.01 -0.73 -0.66 120.40 122.81 2j6p s VAL 105 Ca 0.07 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 2j6p s VAL 105 Cb -0.08 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 2j6p s VAL 105 CO 0.04 0.42 2.24 -0.11 0.00 0.00 0.00 175.10 177.69 2j6p n LEU 106 N 4.39 3.05 -4.67 3.92 7.94 -0.61 -1.22 117.00 129.80 2j6p n LEU 106 Ca -0.17 0.17 -0.54 0.00 -1.11 0.00 0.00 56.01 54.36 2j6p n LEU 106 Cb 0.52 -1.52 -0.06 0.00 0.53 0.00 0.00 43.42 42.88 2j6p n LEU 106 CO 0.31 -0.76 1.22 0.54 -1.11 0.00 0.00 177.39 177.59 2j6p n ARG 107 N 8.72 1.36 -0.27 1.96 5.12 -0.72 -1.63 116.66 131.20 2j6p n ARG 107 Ca 0.32 0.50 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 2j6p n ARG 107 Cb 0.43 -2.19 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 2j6p n ARG 107 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2j6p n GLY 108 N 3.68 1.93 7.00 -0.13 0.00 -1.24 -4.54 105.19 111.89 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 0.28 0.37 -0.02 0.00 -0.65 -2.38 105.19 100.79 2j6p n GLY 109 Ca 0.00 -0.93 0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 0.96 -0.14 1.61 2.91 -0.87 -2.12 115.95 118.30 2j6p h TRP 110 Ca 0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 2j6p h TRP 110 Cb 0.00 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.34 2j6p h TRP 110 CO 0.00 0.36 0.06 0.93 -1.03 0.00 0.00 178.44 178.77 2j6p h GLU 111 N 0.82 0.21 -0.08 2.65 5.08 -1.32 0.63 114.58 122.57 2j6p h GLU 111 Ca 0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2j6p h GLU 111 Cb 0.63 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2j6p h GLU 111 CO -0.24 0.27 0.05 0.00 -1.00 0.00 0.00 179.01 178.10 2j6p h ALA 112 N 0.92 0.10 -0.03 3.43 0.00 -1.25 0.11 119.26 122.55 2j6p h ALA 112 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2j6p h ALA 112 Cb 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2j6p h ALA 112 CO -0.01 -0.40 -0.11 0.35 0.00 0.00 0.00 179.25 179.09 2j6p h PHE 113 N 0.09 -0.28 0.00 0.00 3.57 -1.27 0.29 116.94 119.35 2j6p h PHE 113 Ca 0.03 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2j6p h PHE 113 Cb 0.00 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2j6p h PHE 113 CO -0.07 -0.17 -0.37 -0.92 -2.23 0.00 0.00 178.31 174.55 2j6p h TYR 114 N -0.18 0.00 -0.40 0.41 3.20 -0.86 0.25 116.97 119.39 2j6p h TYR 114 Ca 0.05 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 2j6p h TYR 114 Cb 0.24 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2j6p h TYR 114 CO -0.18 0.37 -0.30 1.25 -1.64 0.00 0.00 178.16 177.65 2j6p h HIS 115 N 0.00 1.03 0.00 -3.82 2.76 0.72 -0.52 115.15 115.31 2j6p h HIS 115 Ca -0.00 -0.27 -0.12 0.00 -2.20 0.00 0.00 60.37 57.77 2j6p h HIS 115 Cb 0.87 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 2j6p h HIS 115 CO 0.00 1.07 -0.67 1.98 -1.30 0.00 0.00 177.93 179.01 2j6p h MET 116 N 0.74 0.00 0.00 5.26 1.85 -0.19 -3.41 114.93 119.18 2j6p h MET 116 Ca 0.08 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.17 2j6p h MET 116 Cb 0.87 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.90 2j6p h MET 116 CO 0.08 0.49 0.00 0.66 -0.40 0.00 0.00 176.91 177.74 2j6p n TYR 117 N -3.18 0.00 -0.35 1.39 4.02 0.05 -4.75 117.16 114.35 2j6p n TYR 117 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 2j6p n TYR 117 Cb 0.76 0.00 0.31 0.00 -0.02 0.00 0.00 39.34 40.39 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 0.00 1.76 0.56 2.72 0.00 -1.24 0.28 103.07 107.14 2j6p h GLY 118 Ca 0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 47.33 46.62 2j6p h GLY 118 CO 0.00 -0.06 -1.94 2.09 0.00 0.00 0.00 176.54 176.63 2j6p n ASP 119 N -4.78 2.11 -0.03 0.19 5.68 -1.26 -4.05 116.55 114.41 2j6p n ASP 119 Ca 0.23 0.23 0.03 0.00 -0.50 0.00 0.00 54.79 54.78 2j6p n ASP 119 Cb 0.56 -0.88 0.40 0.00 -1.14 0.00 0.00 41.12 40.06 2j6p n ASP 119 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2j6p h VAL 120 N -0.02 1.12 -1.41 2.12 2.07 -1.84 -3.36 116.25 114.93 2j6p h VAL 120 Ca -0.42 -0.22 -0.47 0.00 0.82 0.00 0.00 66.70 66.40 2j6p h VAL 120 Cb 1.98 0.45 -0.41 0.00 -1.52 0.00 0.00 31.29 31.79 2j6p h VAL 120 CO 0.06 0.12 -0.99 0.54 0.02 0.00 0.00 177.57 177.32 2j6p n ARG 121 N -4.46 2.09 0.00 1.57 5.12 0.96 -4.89 116.66 117.05 2j6p n ARG 121 Ca 0.04 -3.84 0.03 0.00 -1.93 0.00 0.00 57.85 52.15 2j6p n ARG 121 Cb 0.06 -1.73 0.16 0.00 -1.16 0.00 0.00 32.46 29.79 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 -0.18 0.04 0.16 5.56 -0.04 -1.25 -1.26 135.00 138.02 2j6p n PRO 122 Ca 0.23 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 64.11 2j6p n PRO 122 Cb 0.71 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.05 3.54 2.03 -1.91 -0.60 116.42 119.42 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 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 2j6p h ASP 123 CO 0.00 0.09 0.00 0.18 -1.03 0.00 0.00 179.24 178.48 2j6p n LEU 124 N -2.94 0.52 -4.00 0.15 4.77 -0.39 -4.85 117.00 110.26 2j6p n LEU 124 Ca 0.01 -0.22 -0.31 0.00 -0.03 0.00 0.00 56.01 55.47 2j6p n LEU 124 Cb 0.58 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.49 2j6p n LEU 124 CO 0.38 0.11 -0.35 -0.04 -1.33 0.00 0.00 177.39 176.15 2j6p s MET 125 N -1.93 1.52 0.07 3.23 -1.94 -1.18 -4.45 119.30 114.61 2j6p s MET 125 Ca 0.29 -1.71 0.01 0.00 -1.71 0.00 0.00 55.69 52.56 2j6p s MET 125 Cb 0.14 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.90 2j6p s MET 125 CO 0.22 -0.88 0.19 0.71 -0.01 0.00 0.00 175.02 175.26 2j6p s TYR 126 N 1.00 3.46 0.33 -0.03 1.51 -0.60 -0.44 117.35 122.58 2j6p s TYR 126 Ca 0.08 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.38 2j6p s TYR 126 Cb -0.19 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 2j6p s TYR 126 CO -0.09 0.57 0.11 0.14 -1.11 0.00 0.00 175.55 175.17 2j6p s VAL 127 N -1.51 0.69 0.01 0.71 -7.23 -0.53 -0.64 120.40 111.90 2j6p s VAL 127 Ca 0.34 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.55 2j6p s VAL 127 Cb -0.13 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2j6p s VAL 127 CO 0.27 0.00 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.43 2j6p s LYS 128 N -3.86 2.47 -0.11 4.82 1.02 -1.26 -1.13 119.74 121.69 2j6p s LYS 128 Ca 0.33 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 2j6p s LYS 128 Cb 0.06 -2.45 0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2j6p s LYS 128 CO 0.15 0.59 0.31 -1.17 -0.92 0.00 0.00 175.35 174.31 2j6p s LEU 129 N -1.38 0.83 0.00 3.17 0.20 -1.10 -4.78 118.68 115.62 2j6p s LEU 129 Ca 0.16 0.61 0.00 0.00 0.69 0.00 0.00 54.13 55.59 2j6p s LEU 129 Cb -0.11 1.05 0.00 0.00 -0.43 0.00 0.00 46.19 46.70 2j6p s LEU 129 CO 0.07 -0.11 0.00 0.61 -0.29 0.00 0.00 176.35 176.63 2j6p n GLY 130 N 2.89 -1.62 0.29 7.98 0.00 -1.26 -1.95 105.19 111.52 2j6p n GLY 130 Ca -0.13 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 44.82 2j6p n GLY 130 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2j6p h PRO 131 N 0.00 0.00 -0.25 1.61 0.11 -2.01 3.04 132.00 134.49 2j6p h PRO 131 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2j6p h PRO 131 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2j6p h PRO 131 CO 0.00 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.21 2j6p n GLU 132 N -3.78 2.22 -4.03 1.05 1.02 -1.26 -5.00 120.64 110.86 2j6p n GLU 132 Ca -0.03 -2.04 -0.43 0.00 -0.02 0.00 0.00 57.16 54.65 2j6p n GLU 132 Cb 0.12 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.27 -0.46 -3.37 3.49 1.13 1.01 -4.87 117.38 115.59 2j6p n GLN 133 Ca 0.16 0.19 -0.38 0.00 -1.94 0.00 0.00 57.00 55.02 2j6p n GLN 133 Cb 0.55 -2.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.37 2j6p n GLN 133 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2j6p s LYS 134 N -7.02 4.12 0.27 -1.09 1.02 -0.82 -4.25 119.74 111.96 2j6p s LYS 134 Ca 0.41 0.55 -0.30 0.00 0.02 0.00 0.00 55.97 56.66 2j6p s LYS 134 Cb -0.23 -3.27 -0.13 0.00 -0.52 0.00 0.00 37.83 33.67 2j6p s LYS 134 CO 0.96 0.56 1.26 1.28 -0.92 0.00 0.00 175.35 178.49 2j6p n LEU 135 N 2.18 2.75 -3.64 3.17 7.99 -1.26 -2.71 117.00 125.48 2j6p n LEU 135 Ca -0.11 1.17 -0.11 0.00 -0.01 0.00 0.00 56.01 56.95 2j6p n LEU 135 Cb 0.52 -1.39 -0.07 0.00 -0.11 0.00 0.00 43.42 42.37 2j6p n LEU 135 CO 0.40 -0.78 0.58 -0.51 -1.51 0.00 0.00 177.39 175.57 2j6p s ILE 136 N -0.57 0.00 0.51 -0.08 2.07 -0.28 -4.96 121.20 117.88 2j6p s ILE 136 Ca 0.63 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.69 2j6p s ILE 136 Cb -0.66 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 40.85 2j6p s ILE 136 CO 0.56 0.00 1.00 -0.94 -1.91 0.00 0.00 174.94 173.65 2j6p s SER 137 N 0.46 6.45 0.25 4.50 1.04 -1.26 -1.45 113.70 123.69 2j6p s SER 137 Ca 0.00 1.73 0.03 0.00 0.48 0.00 0.00 55.95 58.19 2j6p s SER 137 Cb -0.05 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 63.84 2j6p s SER 137 CO -0.05 -0.70 1.61 -0.33 0.98 0.00 0.00 173.24 174.75 2j6p h GLU 138 N 1.18 0.35 -0.49 4.02 5.08 -0.55 -2.20 114.58 121.97 2j6p h GLU 138 Ca -0.48 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 57.74 2j6p h GLU 138 Cb 1.20 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.38 2j6p h GLU 138 CO 0.60 0.76 -0.48 1.49 -1.00 0.00 0.00 179.01 180.38 2j6p h GLU 139 N 0.28 -0.23 -0.50 2.33 4.81 -1.38 0.12 114.58 120.01 2j6p h GLU 139 Ca 0.01 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 2j6p h GLU 139 Cb 0.96 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.29 2j6p h GLU 139 CO 0.08 -0.15 -0.19 -0.44 -0.73 0.00 0.00 179.01 177.57 2j6p h ASP 140 N -0.24 -0.68 -1.00 1.04 5.19 -1.83 -0.02 116.42 118.87 2j6p h ASP 140 Ca 0.08 0.17 0.09 0.00 -0.62 0.00 0.00 57.03 56.75 2j6p h ASP 140 Cb 0.46 0.39 -0.07 0.00 0.18 0.00 0.00 39.33 40.28 2j6p h ASP 140 CO -0.58 -0.23 0.64 -0.07 -3.12 0.00 0.00 179.24 175.88 2j6p h LEU 141 N -0.08 0.99 -0.32 1.55 4.07 -0.73 0.12 115.31 120.91 2j6p h LEU 141 Ca 0.24 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.19 2j6p h LEU 141 Cb 0.45 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 2j6p h LEU 141 CO -0.56 0.59 0.06 0.78 -1.08 0.00 0.00 178.44 178.23 2j6p h ASN 142 N 1.09 0.49 -0.62 -0.43 2.35 0.80 -1.67 115.58 117.59 2j6p h ASN 142 Ca 0.46 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 2j6p h ASN 142 Cb 0.31 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2j6p h ASN 142 CO -0.21 0.62 0.40 0.28 -1.65 0.00 0.00 177.43 176.87 2j6p h SER 143 N 0.35 0.67 0.41 5.81 0.02 -0.49 -2.46 113.55 117.87 2j6p h SER 143 Ca 0.10 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2j6p h SER 143 Cb 0.33 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2j6p h SER 143 CO 0.00 0.48 -0.31 0.00 -1.14 0.00 0.00 176.83 175.87 2j6p h ALA 144 N 1.25 1.35 0.00 3.77 0.00 -0.58 -0.83 119.26 124.21 2j6p h ALA 144 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2j6p h ALA 144 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2j6p h ALA 144 CO -0.07 0.38 0.00 0.28 0.00 0.00 0.00 179.25 179.84 2j6p h VAL 145 N 0.00 0.00 -3.30 0.00 2.07 -0.94 -3.41 116.25 110.66 2j6p h VAL 145 Ca -0.00 -0.55 -0.57 0.00 0.82 0.00 0.00 66.70 66.40 2j6p h VAL 145 Cb 0.60 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 2j6p h VAL 145 CO 0.04 0.00 0.91 -1.81 0.02 0.00 0.00 177.57 176.73 2j6p s ASP 146 N -5.09 6.78 0.00 0.57 1.01 -0.32 -5.09 116.67 114.53 2j6p s ASP 146 Ca 0.06 1.02 0.00 0.00 0.71 0.00 0.00 52.55 54.35 2j6p s ASP 146 Cb 0.09 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.48 2j6p s ASP 146 CO 0.55 -1.02 0.00 1.41 0.21 0.00 0.00 175.17 176.32