#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5d s ASN 2 N 0.00 4.65 0.37 0.00 2.20 -1.26 -4.54 114.94 116.36 1j5d s ASN 2 Ca 0.00 1.49 0.08 0.00 -0.94 0.00 0.00 52.86 53.49 1j5d s ASN 2 Cb 0.00 -2.26 -0.03 0.00 -2.00 0.00 0.00 41.25 36.96 1j5d s ASN 2 CO 0.00 -1.89 0.30 0.00 -2.94 0.00 0.00 177.10 172.57 1j5d s ALA 3 N -3.06 3.86 0.03 3.54 0.00 -0.54 -4.99 121.76 120.60 1j5d s ALA 3 Ca 0.60 -1.79 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 1j5d s ALA 3 Cb -0.15 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 21.97 1j5d s ALA 3 CO 0.55 -0.08 0.27 -0.08 0.00 0.00 0.00 175.76 176.41 1j5d s THR 4 N -2.40 0.09 0.05 0.00 -1.32 -1.26 -1.37 115.64 109.43 1j5d s THR 4 Ca 0.43 -0.70 0.02 0.00 -1.21 0.00 0.00 61.69 60.23 1j5d s THR 4 Cb -0.04 -0.85 -0.03 0.00 -1.51 0.00 0.00 72.50 70.07 1j5d s THR 4 CO 0.26 -0.39 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.52 1j5d s VAL 5 N -2.28 0.52 -0.13 5.08 1.01 -0.77 -4.64 120.40 119.19 1j5d s VAL 5 Ca -0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.67 1j5d s VAL 5 Cb -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1j5d s VAL 5 CO -0.02 -0.49 -0.07 -1.59 0.00 0.00 0.00 175.10 172.94 1j5d s LYS 6 N -1.99 3.43 -1.09 2.72 -2.85 -1.11 -1.58 119.74 117.27 1j5d s LYS 6 Ca -0.07 -0.56 -0.23 0.00 -1.00 0.00 0.00 55.97 54.11 1j5d s LYS 6 Cb -0.07 -2.78 -0.03 0.00 -2.06 0.00 0.00 37.83 32.89 1j5d s LYS 6 CO -0.01 0.32 1.83 -1.64 0.10 0.00 0.00 175.35 175.95 1j5d s MET 7 N 0.13 2.93 0.00 1.78 -1.94 0.22 -3.93 119.30 118.48 1j5d s MET 7 Ca -0.03 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 1j5d s MET 7 Cb -0.14 -5.25 0.00 0.00 2.01 0.00 0.00 34.83 31.45 1j5d s MET 7 CO 0.03 -3.23 0.00 0.41 -0.01 0.00 0.00 175.02 172.22 1j5d n GLY 8 N 6.23 2.29 3.78 -0.03 0.00 -1.25 -3.05 105.19 113.16 1j5d n GLY 8 Ca 0.42 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1j5d n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5d s SER 9 N 0.00 6.61 0.22 1.61 0.01 0.38 -4.72 113.70 117.81 1j5d s SER 9 Ca 0.00 2.10 -0.17 0.00 1.31 0.00 0.00 55.95 59.19 1j5d s SER 9 Cb 0.00 -2.59 0.23 0.00 0.21 0.00 0.00 66.02 63.87 1j5d s SER 9 CO 0.00 -0.60 1.49 0.47 0.41 0.00 0.00 173.24 175.01 1j5d n ASP 10 N -0.18 -0.63 0.11 2.44 9.92 -1.26 -0.34 116.55 126.60 1j5d n ASP 10 Ca 0.06 1.67 0.19 0.00 -0.53 0.00 0.00 54.79 56.18 1j5d n ASP 10 Cb 0.49 -0.38 0.76 0.00 -0.64 0.00 0.00 41.12 41.35 1j5d n ASP 10 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1j5d h SER 11 N 0.00 0.00 0.00 -2.24 0.87 -2.02 -3.45 113.55 106.71 1j5d h SER 11 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1j5d h SER 11 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1j5d h SER 11 CO -0.95 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 175.96 1j5d n GLY 12 N -1.50 0.78 3.18 5.77 0.00 0.54 -5.15 105.19 108.81 1j5d n GLY 12 Ca 0.06 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 1j5d n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5d s ALA 13 N -1.55 1.16 0.02 4.61 0.00 -1.17 -4.96 121.76 119.87 1j5d s ALA 13 Ca 0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 51.96 50.56 1j5d s ALA 13 Cb 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 23.12 22.93 1j5d s ALA 13 CO 0.00 0.02 1.42 -0.07 0.00 0.00 0.00 175.76 177.13 1j5d h LEU 14 N 3.71 0.01 -9.20 0.00 4.07 -1.95 0.11 115.31 112.07 1j5d h LEU 14 Ca -0.38 -0.33 -0.70 0.00 0.08 0.00 0.00 57.88 56.55 1j5d h LEU 14 Cb 1.19 -0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.98 1j5d h LEU 14 CO 0.50 0.34 0.31 1.33 -1.08 0.00 0.00 178.44 179.84 1j5d n VAL 15 N -4.92 0.14 -2.34 1.22 0.24 -1.26 -3.85 118.33 107.56 1j5d n VAL 15 Ca -0.08 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.34 61.81 1j5d n VAL 15 Cb 0.18 -0.60 -0.02 0.00 -1.47 0.00 0.00 33.84 31.93 1j5d n VAL 15 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j5d s PHE 16 N 0.25 3.02 -0.01 6.34 0.08 -1.26 -3.12 117.98 123.28 1j5d s PHE 16 Ca 0.84 1.57 0.02 0.00 0.12 0.00 0.00 56.93 59.48 1j5d s PHE 16 Cb -1.02 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.12 1j5d s PHE 16 CO 0.50 -1.23 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.12 1j5d s GLU 17 N -2.58 0.58 0.40 0.44 2.02 -1.25 -3.29 118.70 115.02 1j5d s GLU 17 Ca 0.61 -0.21 -0.27 0.00 0.02 0.00 0.00 54.97 55.12 1j5d s GLU 17 Cb -0.27 -0.57 -0.09 0.00 0.10 0.00 0.00 34.13 33.29 1j5d s GLU 17 CO 0.33 0.10 1.33 -2.14 0.02 0.00 0.00 175.26 174.91 1j5d s PRO 18 N 0.05 4.01 0.26 0.39 0.02 -1.26 -2.75 135.00 135.72 1j5d s PRO 18 Ca -0.00 2.23 0.04 0.00 0.02 0.00 0.00 61.00 63.29 1j5d s PRO 18 Cb -0.05 -2.82 0.33 0.00 0.02 0.00 0.00 34.50 31.98 1j5d s PRO 18 CO -0.00 -0.48 1.63 0.66 -0.33 0.00 0.00 177.00 178.48 1j5d h SER 19 N 2.79 0.36 -4.28 2.53 4.64 -1.91 -3.42 113.55 114.25 1j5d h SER 19 Ca -0.50 -0.17 -0.56 0.00 -0.47 0.00 0.00 61.79 60.10 1j5d h SER 19 Cb 1.24 -0.10 -0.25 0.00 -0.31 0.00 0.00 62.40 62.98 1j5d h SER 19 CO 0.63 0.77 -0.83 -0.89 -0.87 0.00 0.00 176.83 175.64 1j5d s THR 20 N -4.06 1.57 0.09 2.95 2.01 -1.26 -2.10 115.64 114.84 1j5d s THR 20 Ca -0.05 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 60.78 1j5d s THR 20 Cb 0.13 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1j5d s THR 20 CO 0.79 0.16 -0.04 0.68 -0.69 0.00 0.00 174.62 175.53 1j5d s VAL 21 N -0.82 0.51 0.16 3.82 -7.23 -1.25 -5.04 120.40 110.55 1j5d s VAL 21 Ca 0.06 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.41 1j5d s VAL 21 Cb -0.09 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1j5d s VAL 21 CO 0.02 -0.85 -0.03 0.42 -0.31 0.00 0.00 175.10 174.34 1j5d s THR 22 N -3.75 3.59 0.08 5.32 -4.23 -1.26 -2.05 115.64 113.35 1j5d s THR 22 Ca 0.12 -1.41 -0.18 0.00 -1.18 0.00 0.00 61.69 59.05 1j5d s THR 22 Cb 0.06 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 71.17 1j5d s THR 22 CO -0.05 -0.05 0.43 -0.51 -0.54 0.00 0.00 174.62 173.90 1j5d s ILE 23 N -1.60 0.06 0.29 2.99 2.07 -1.07 -4.60 121.20 119.33 1j5d s ILE 23 Ca 0.26 -0.45 0.03 0.00 -1.41 0.00 0.00 60.65 59.07 1j5d s ILE 23 Cb -0.10 -1.05 -0.03 0.00 0.13 0.00 0.00 42.46 41.41 1j5d s ILE 23 CO 0.17 -0.25 0.45 -0.54 -1.91 0.00 0.00 174.94 172.86 1j5d s LYS 24 N -3.10 3.47 -0.50 3.50 1.02 -1.26 -0.11 119.74 122.75 1j5d s LYS 24 Ca -0.01 -0.53 -0.28 0.00 0.02 0.00 0.00 55.97 55.17 1j5d s LYS 24 Cb 0.00 -2.78 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1j5d s LYS 24 CO -0.07 0.29 2.41 0.00 -0.92 0.00 0.00 175.35 177.06 1j5d n ALA 25 N -1.56 0.90 -0.05 5.17 0.00 -1.26 -0.79 120.51 122.92 1j5d n ALA 25 Ca -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1j5d n ALA 25 Cb 0.56 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1j5d n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5d n GLY 26 N 6.09 0.41 3.75 0.00 0.00 0.11 -4.92 105.19 110.63 1j5d n GLY 26 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 1j5d n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j5d s GLU 27 N -0.91 0.54 0.27 1.61 0.41 0.03 -4.73 118.70 115.92 1j5d s GLU 27 Ca 0.00 0.20 0.06 0.00 -0.41 0.00 0.00 54.97 54.82 1j5d s GLU 27 Cb 0.00 -1.78 -0.03 0.00 -1.78 0.00 0.00 34.13 30.55 1j5d s GLU 27 CO 0.00 -2.59 0.35 -1.21 -0.49 0.00 0.00 175.26 171.32 1j5d s GLU 28 N -5.30 3.20 0.01 1.61 2.02 -1.26 -2.10 118.70 116.87 1j5d s GLU 28 Ca 0.66 -0.93 0.07 0.00 0.02 0.00 0.00 54.97 54.80 1j5d s GLU 28 Cb -0.14 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 1j5d s GLU 28 CO 0.55 0.31 -0.21 0.08 0.02 0.00 0.00 175.26 176.01 1j5d s VAL 29 N -2.09 2.54 -0.11 2.63 1.01 -0.28 -1.47 120.40 122.64 1j5d s VAL 29 Ca 0.37 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1j5d s VAL 29 Cb -0.09 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1j5d s VAL 29 CO 0.28 0.44 -0.08 -0.75 0.00 0.00 0.00 175.10 175.00 1j5d s LYS 30 N -1.09 3.16 -0.18 2.72 2.20 -0.47 -1.82 119.74 124.28 1j5d s LYS 30 Ca 0.12 -0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 55.09 1j5d s LYS 30 Cb -0.10 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 1j5d s LYS 30 CO 0.02 0.42 0.03 -1.58 -0.36 0.00 0.00 175.35 173.88 1j5d s TRP 31 N -0.17 3.16 -0.19 4.03 0.51 0.05 -1.85 118.94 124.49 1j5d s TRP 31 Ca 0.02 -0.09 -0.06 0.00 -2.12 0.00 0.00 56.10 53.84 1j5d s TRP 31 Cb -0.13 -2.05 -0.03 0.00 -0.81 0.00 0.00 33.47 30.45 1j5d s TRP 31 CO 0.03 0.05 0.02 0.08 -0.51 0.00 0.00 176.95 176.62 1j5d s VAL 32 N 0.46 4.23 -0.60 4.03 1.01 -0.61 -1.52 120.40 127.40 1j5d s VAL 32 Ca 0.01 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 1j5d s VAL 32 Cb -0.13 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1j5d s VAL 32 CO 0.01 0.44 1.59 0.21 0.00 0.00 0.00 175.10 177.35 1j5d s ASN 33 N 0.74 5.79 0.00 3.32 2.47 -1.26 -0.61 114.94 125.39 1j5d s ASN 33 Ca 0.01 0.24 0.00 0.00 0.42 0.00 0.00 52.86 53.53 1j5d s ASN 33 Cb -0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1j5d s ASN 33 CO 0.02 -1.99 0.02 -3.20 -3.72 0.00 0.00 177.10 168.23 1j5d n ASN 34 N 10.80 0.00 -3.53 -4.21 5.15 -1.22 -3.97 115.26 118.28 1j5d n ASN 34 Ca 0.14 0.30 -0.04 0.00 -0.60 0.00 0.00 54.58 54.39 1j5d n ASN 34 Cb 0.50 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 1j5d n ASN 34 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1j5d s LYS 35 N -0.62 1.38 -0.63 1.20 -0.14 -1.17 -4.75 119.74 115.00 1j5d s LYS 35 Ca 0.00 -0.82 -0.03 0.00 -1.36 0.00 0.00 55.97 53.76 1j5d s LYS 35 Cb 0.00 0.43 -0.03 0.00 -1.68 0.00 0.00 37.83 36.55 1j5d s LYS 35 CO 0.00 -0.64 0.55 1.28 -0.76 0.00 0.00 175.35 175.78 1j5d n LEU 36 N -0.56 -3.91 -4.83 3.17 7.99 -1.26 -4.49 117.00 113.11 1j5d n LEU 36 Ca -0.05 -0.40 -0.32 0.00 -0.01 0.00 0.00 56.01 55.23 1j5d n LEU 36 Cb 0.60 -2.07 0.02 0.00 -0.11 0.00 0.00 43.42 41.86 1j5d n LEU 36 CO 0.18 0.10 0.71 -0.94 -1.51 0.00 0.00 177.39 175.92 1j5d s SER 37 N -3.36 5.90 0.39 -1.43 1.04 -1.26 -4.25 113.70 110.73 1j5d s SER 37 Ca 0.20 1.59 -0.24 0.00 0.48 0.00 0.00 55.95 57.99 1j5d s SER 37 Cb -0.03 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.50 1j5d s SER 37 CO 0.43 -1.09 1.02 -2.16 0.98 0.00 0.00 173.24 172.43 1j5d s PRO 38 N -4.72 4.22 0.03 4.02 0.04 -1.26 -5.08 135.00 132.24 1j5d s PRO 38 Ca 0.58 1.44 0.04 0.00 0.04 0.00 0.00 61.00 63.10 1j5d s PRO 38 Cb -0.13 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1j5d s PRO 38 CO 0.47 -0.08 -0.03 -1.01 0.04 0.00 0.00 177.00 176.39 1j5d s HIS 39 N -1.71 2.95 0.43 0.56 3.76 0.16 -4.83 115.29 116.61 1j5d s HIS 39 Ca 0.57 -0.01 0.06 0.00 -0.15 0.00 0.00 55.06 55.53 1j5d s HIS 39 Cb -0.20 -1.59 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 1j5d s HIS 39 CO 0.25 0.43 0.11 -0.80 -0.85 0.00 0.00 174.74 173.88 1j5d s ASN 40 N -1.77 4.20 -0.36 1.40 -0.87 -1.26 -0.31 114.94 115.97 1j5d s ASN 40 Ca 0.20 -1.26 0.01 0.00 -1.57 0.00 0.00 52.86 50.24 1j5d s ASN 40 Cb -0.11 -0.28 0.15 0.00 -0.02 0.00 0.00 41.25 40.98 1j5d s ASN 40 CO 0.12 -0.58 0.23 -0.63 -2.57 0.00 0.00 177.10 173.67 1j5d s ILE 41 N -2.68 0.17 -0.13 0.60 1.01 -1.07 -4.65 121.20 114.45 1j5d s ILE 41 Ca 0.34 -1.88 -0.14 0.00 0.00 0.00 0.00 60.65 58.97 1j5d s ILE 41 Cb 0.06 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 1j5d s ILE 41 CO 0.18 -1.04 0.33 -0.69 0.00 0.00 0.00 174.94 173.73 1j5d s VAL 42 N 0.89 5.26 -0.14 2.92 1.01 0.29 -1.19 120.40 129.44 1j5d s VAL 42 Ca 0.21 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 1j5d s VAL 42 Cb -0.18 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1j5d s VAL 42 CO -0.03 0.42 -0.01 -0.36 0.00 0.00 0.00 175.10 175.12 1j5d s PHE 43 N 0.19 3.10 -0.03 5.22 0.40 -1.26 -0.86 117.98 124.74 1j5d s PHE 43 Ca 0.19 -0.08 -0.21 0.00 -0.60 0.00 0.00 56.93 56.23 1j5d s PHE 43 Cb -0.14 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.42 1j5d s PHE 43 CO 0.06 0.16 0.61 0.00 0.70 0.00 0.00 175.22 176.74 1j5d s ALA 44 N -0.03 3.45 -1.36 5.36 0.00 -0.51 -4.76 121.76 123.92 1j5d s ALA 44 Ca 0.03 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 1j5d s ALA 44 Cb -0.13 -2.78 -0.07 0.00 0.00 0.00 0.00 23.12 20.14 1j5d s ALA 44 CO 0.02 0.08 2.58 0.00 0.00 0.00 0.00 175.76 178.44 1j5d n ALA 45 N 3.10 6.29 -0.06 0.00 0.00 -1.26 -4.57 120.51 124.01 1j5d n ALA 45 Ca -0.06 -3.10 -0.05 0.00 0.00 0.00 0.00 53.44 50.23 1j5d n ALA 45 Cb 0.51 -3.30 -0.03 0.00 0.00 0.00 0.00 19.45 16.63 1j5d n ALA 45 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1j5d h ASP 46 N 5.65 0.00 -0.19 0.00 1.82 -1.93 -3.37 116.42 118.40 1j5d h ASP 46 Ca 0.71 -0.17 -0.15 0.00 -0.39 0.00 0.00 57.03 57.04 1j5d h ASP 46 Cb 0.30 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 40.18 1j5d h ASP 46 CO 1.71 0.71 -0.63 0.61 -1.61 0.00 0.00 179.24 180.04 1j5d n GLY 47 N 1.68 5.09 3.15 -0.78 0.00 -1.26 -5.04 105.19 108.04 1j5d n GLY 47 Ca -0.06 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 1j5d n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5d s VAL 48 N -3.36 0.10 0.77 1.61 1.01 -1.26 -4.95 120.40 114.33 1j5d s VAL 48 Ca 0.41 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1j5d s VAL 48 Cb 0.38 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 36.07 1j5d s VAL 48 CO -0.05 -0.46 1.21 -1.81 0.00 0.00 0.00 175.10 173.99 1j5d s ASP 49 N -1.83 3.89 0.06 3.32 1.11 -1.26 -4.57 116.67 117.39 1j5d s ASP 49 Ca -0.09 2.37 -0.34 0.00 0.18 0.00 0.00 52.55 54.68 1j5d s ASP 49 Cb -0.03 -2.59 -0.19 0.00 1.07 0.00 0.00 42.92 41.18 1j5d s ASP 49 CO -0.02 -2.47 1.56 0.00 1.18 0.00 0.00 175.17 175.43 1j5d h ALA 50 N -0.59 -1.03 -0.04 5.23 0.00 -1.98 -0.23 119.26 120.61 1j5d h ALA 50 Ca -0.47 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.25 1j5d h ALA 50 Cb 1.30 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 1j5d h ALA 50 CO 0.48 -1.06 -0.34 -0.44 0.00 0.00 0.00 179.25 177.88 1j5d h ASP 51 N -1.06 -1.03 0.03 0.00 5.19 -1.98 0.55 116.42 118.12 1j5d h ASP 51 Ca -0.11 0.14 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 1j5d h ASP 51 Cb 0.80 0.42 -0.05 0.00 0.18 0.00 0.00 39.33 40.68 1j5d h ASP 51 CO 0.17 -0.39 -0.41 0.74 -3.12 0.00 0.00 179.24 176.23 1j5d h THR 52 N -0.47 0.16 -0.61 0.35 2.02 -1.95 0.12 112.91 112.54 1j5d h THR 52 Ca 0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.31 1j5d h THR 52 Cb 0.58 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1j5d h THR 52 CO -0.30 0.00 0.40 0.00 0.37 0.00 0.00 175.52 175.99 1j5d h ALA 53 N -0.06 1.83 -0.13 6.16 0.00 -0.54 0.16 119.26 126.68 1j5d h ALA 53 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1j5d h ALA 53 Cb 0.65 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1j5d h ALA 53 CO -0.29 0.07 -0.09 0.00 0.00 0.00 0.00 179.25 178.93 1j5d h ALA 54 N 1.67 0.19 -0.73 0.00 0.00 0.12 0.56 119.26 121.08 1j5d h ALA 54 Ca 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1j5d h ALA 54 Cb 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1j5d h ALA 54 CO -0.08 0.01 0.39 -0.22 0.00 0.00 0.00 179.25 179.36 1j5d h LYS 55 N -0.07 1.02 0.00 0.00 3.64 -0.11 -1.72 116.57 119.34 1j5d h LYS 55 Ca 0.03 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1j5d h LYS 55 Cb 0.59 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1j5d h LYS 55 CO 0.03 0.77 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.54 1j5d h LEU 56 N 1.01 0.00 -8.58 5.20 3.38 -0.89 -3.43 115.31 112.00 1j5d h LEU 56 Ca 0.26 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.69 1j5d h LEU 56 Cb 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1j5d h LEU 56 CO -0.04 0.36 1.19 -0.55 0.09 0.00 0.00 178.44 179.50 1j5d s SER 57 N -6.48 5.85 -0.86 -0.43 0.15 0.20 -4.76 113.70 107.38 1j5d s SER 57 Ca -0.00 0.36 -0.25 0.00 0.70 0.00 0.00 55.95 56.76 1j5d s SER 57 Cb 0.12 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 1j5d s SER 57 CO 0.68 -1.91 1.80 -1.00 1.20 0.00 0.00 173.24 174.01 1j5d s HIS 58 N 7.00 1.94 -1.32 3.44 3.76 -0.33 -4.67 115.29 125.10 1j5d s HIS 58 Ca 0.58 0.36 0.12 0.00 -0.15 0.00 0.00 55.06 55.97 1j5d s HIS 58 Cb -0.12 -4.21 0.60 0.00 1.11 0.00 0.00 32.58 29.96 1j5d s HIS 58 CO 0.24 -1.91 1.33 1.63 -0.85 0.00 0.00 174.74 175.18 1j5d n LYS 59 N 8.96 0.13 -1.08 1.40 5.02 -1.26 -2.61 118.16 128.72 1j5d n LYS 59 Ca 0.33 0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 56.48 1j5d n LYS 59 Cb 0.49 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 34.11 1j5d n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j5d n GLY 60 N -0.24 -0.79 2.65 0.72 0.00 -1.26 -5.00 105.19 101.28 1j5d n GLY 60 Ca 0.05 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1j5d n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j5d s LEU 61 N -3.40 2.26 -0.39 0.99 0.20 -1.26 -4.40 118.68 112.67 1j5d s LEU 61 Ca 0.68 -2.48 -0.21 0.00 0.69 0.00 0.00 54.13 52.81 1j5d s LEU 61 Cb -0.29 -0.87 0.01 0.00 -0.43 0.00 0.00 46.19 44.61 1j5d s LEU 61 CO 0.56 -0.28 0.67 0.00 -0.29 0.00 0.00 176.35 177.01 1j5d s ALA 62 N 0.58 3.40 -0.11 5.97 0.00 0.57 -4.87 121.76 127.30 1j5d s ALA 62 Ca 0.17 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 1j5d s ALA 62 Cb -0.24 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1j5d s ALA 62 CO -0.00 -1.57 -0.14 1.97 0.00 0.00 0.00 175.76 176.02 1j5d n PHE 63 N 6.23 0.00 -2.27 0.00 -1.74 -1.26 -0.66 117.46 117.76 1j5d n PHE 63 Ca -0.01 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.46 1j5d n PHE 63 Cb 0.48 -0.41 -0.03 0.00 1.52 0.00 0.00 39.48 41.04 1j5d n PHE 63 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1j5d s ALA 64 N -2.21 3.54 -0.89 1.98 0.00 -1.26 -4.77 121.76 118.16 1j5d s ALA 64 Ca -0.16 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 1j5d s ALA 64 Cb 0.06 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1j5d s ALA 64 CO 0.21 -0.77 1.89 0.00 0.00 0.00 0.00 175.76 177.09 1j5d s ALA 65 N 1.93 1.82 0.00 0.00 0.00 -1.26 -3.03 121.76 121.21 1j5d s ALA 65 Ca 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1j5d s ALA 65 Cb -0.31 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.28 1j5d s ALA 65 CO 0.27 -4.61 0.00 0.41 0.00 0.00 0.00 175.76 171.83 1j5d n GLY 66 N 6.74 0.30 3.55 0.00 0.00 -1.25 -5.02 105.19 109.51 1j5d n GLY 66 Ca 0.37 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 1j5d n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j5d s GLU 67 N 0.00 2.71 0.78 1.61 2.02 -1.17 -4.82 118.70 119.83 1j5d s GLU 67 Ca 0.00 0.14 -0.12 0.00 0.02 0.00 0.00 54.97 55.01 1j5d s GLU 67 Cb 0.00 -4.65 0.06 0.00 0.10 0.00 0.00 34.13 29.64 1j5d s GLU 67 CO 0.00 -2.86 1.13 -1.12 0.02 0.00 0.00 175.26 172.43 1j5d s SER 68 N 7.50 4.73 0.20 -0.19 0.01 -1.26 -4.34 113.70 120.35 1j5d s SER 68 Ca 0.64 1.01 0.05 0.00 1.31 0.00 0.00 55.95 58.95 1j5d s SER 68 Cb -0.09 -1.66 -0.05 0.00 0.21 0.00 0.00 66.02 64.43 1j5d s SER 68 CO 0.11 -1.78 -0.06 -0.36 0.41 0.00 0.00 173.24 171.55 1j5d s PHE 69 N -3.40 1.49 0.08 2.43 0.08 -0.57 -4.99 117.98 113.11 1j5d s PHE 69 Ca 0.61 -0.79 0.05 0.00 0.12 0.00 0.00 56.93 56.91 1j5d s PHE 69 Cb -0.12 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 1j5d s PHE 69 CO 0.51 0.09 -0.13 0.99 -0.10 0.00 0.00 175.22 176.58 1j5d s THR 70 N -3.29 1.06 -0.04 0.64 2.01 -1.26 -0.77 115.64 113.99 1j5d s THR 70 Ca 0.23 -1.44 -0.08 0.00 0.31 0.00 0.00 61.69 60.71 1j5d s THR 70 Cb 0.03 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.37 1j5d s THR 70 CO 0.05 -0.36 0.18 -0.94 -0.69 0.00 0.00 174.62 172.87 1j5d s SER 71 N -2.03 -0.11 -0.15 3.53 1.04 -0.75 -5.01 113.70 110.22 1j5d s SER 71 Ca 0.01 0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.50 1j5d s SER 71 Cb -0.07 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1j5d s SER 71 CO 0.02 -0.23 0.08 -0.89 0.98 0.00 0.00 173.24 173.20 1j5d s THR 72 N -0.64 4.93 -0.74 2.02 2.01 -1.26 -1.13 115.64 120.83 1j5d s THR 72 Ca -0.07 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 1j5d s THR 72 Cb -0.04 -3.18 0.19 0.00 0.01 0.00 0.00 72.50 69.48 1j5d s THR 72 CO 0.01 0.52 0.67 -0.36 -0.69 0.00 0.00 174.62 174.77 1j5d s PHE 73 N -0.20 3.63 0.07 4.92 0.40 -0.89 -4.91 117.98 120.99 1j5d s PHE 73 Ca 0.08 -2.00 -0.19 0.00 -0.60 0.00 0.00 56.93 54.23 1j5d s PHE 73 Cb -0.12 -3.72 -0.11 0.00 0.51 0.00 0.00 43.02 39.59 1j5d s PHE 73 CO 0.01 -0.97 1.43 1.15 0.70 0.00 0.00 175.22 177.54 1j5d h THR 74 N 5.06 1.30 -3.25 0.64 2.02 -1.89 0.32 112.91 117.11 1j5d h THR 74 Ca 0.02 -1.14 -0.58 0.00 0.77 0.00 0.00 66.41 65.48 1j5d h THR 74 Cb 1.04 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 69.00 1j5d h THR 74 CO 0.79 0.35 -0.08 -0.70 0.37 0.00 0.00 175.52 176.25 1j5d s GLU 75 N -4.62 4.24 -1.11 6.66 2.12 -1.26 -3.95 118.70 120.78 1j5d s GLU 75 Ca -0.14 0.60 -0.22 0.00 0.36 0.00 0.00 54.97 55.58 1j5d s GLU 75 Cb 0.07 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1j5d s GLU 75 CO 0.76 0.40 1.75 -1.25 -0.54 0.00 0.00 175.26 176.38 1j5d s PRO 76 N -0.23 3.23 0.00 4.30 0.04 -1.26 -4.88 135.00 136.21 1j5d s PRO 76 Ca 0.28 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 60.11 1j5d s PRO 76 Cb -0.17 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.04 1j5d s PRO 76 CO 0.15 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.72 1j5d n GLY 77 N 6.20 6.61 3.20 0.56 0.00 -1.26 -4.93 105.19 115.58 1j5d n GLY 77 Ca 0.42 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 1j5d n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5d s THR 78 N 0.16 1.75 -0.00 2.61 2.01 -1.26 -0.93 115.64 119.98 1j5d s THR 78 Ca 0.00 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.16 1j5d s THR 78 Cb 0.00 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1j5d s THR 78 CO 0.00 0.49 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.93 1j5d s TYR 79 N -0.09 2.56 0.01 4.92 1.51 -0.12 -4.80 117.35 121.34 1j5d s TYR 79 Ca -0.03 -0.26 0.07 0.00 -1.01 0.00 0.00 57.07 55.84 1j5d s TYR 79 Cb -0.12 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1j5d s TYR 79 CO 0.03 0.17 -0.22 0.99 -1.11 0.00 0.00 175.55 175.41 1j5d s THR 80 N -0.80 1.74 0.08 -0.71 2.01 -1.26 -0.38 115.64 116.31 1j5d s THR 80 Ca 0.13 -1.06 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 1j5d s THR 80 Cb -0.10 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1j5d s THR 80 CO 0.02 0.38 0.19 -0.72 -0.69 0.00 0.00 174.62 173.81 1j5d s TYR 81 N -0.63 0.12 0.31 4.92 1.13 -0.62 -1.42 117.35 121.16 1j5d s TYR 81 Ca 0.08 -0.50 -0.18 0.00 -1.41 0.00 0.00 57.07 55.06 1j5d s TYR 81 Cb -0.09 -0.05 0.03 0.00 -1.10 0.00 0.00 41.96 40.75 1j5d s TYR 81 CO 0.00 -0.52 0.70 1.52 -2.51 0.00 0.00 175.55 174.75 1j5d s TYR 82 N -3.56 0.00 -0.47 -3.49 1.13 -0.04 -3.10 117.35 107.82 1j5d s TYR 82 Ca 0.03 -0.50 0.08 0.00 -1.41 0.00 0.00 57.07 55.27 1j5d s TYR 82 Cb 0.03 0.66 0.31 0.00 -1.10 0.00 0.00 41.96 41.87 1j5d s TYR 82 CO -0.09 -1.30 0.74 0.00 -2.51 0.00 0.00 175.55 172.38 1j5d n GLU 84 N 0.49 -0.01 0.02 0.00 1.02 -1.26 -0.58 120.64 120.32 1j5d n GLU 84 Ca 0.26 0.16 0.10 0.00 -0.02 0.00 0.00 57.16 57.67 1j5d n GLU 84 Cb 0.53 -0.24 0.42 0.00 -0.02 0.00 0.00 31.44 32.13 1j5d n GLU 84 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1j5d n PRO 85 N -2.51 0.04 -1.87 3.49 -0.04 -1.26 -4.48 135.00 128.37 1j5d n PRO 85 Ca 0.00 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 1j5d n PRO 85 Cb 0.01 -1.56 -0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1j5d n PRO 85 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j5d n HIS 86 N -1.63 3.13 -3.84 0.54 -0.00 0.25 -4.76 115.22 108.91 1j5d n HIS 86 Ca 0.04 -2.93 -0.29 0.00 0.46 0.00 0.00 57.72 55.01 1j5d n HIS 86 Cb 0.24 -2.32 0.01 0.00 -0.12 0.00 0.00 29.99 27.80 1j5d n HIS 86 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1j5d n ARG 87 N 4.75 -1.25 0.00 1.57 1.74 -1.26 -4.24 116.66 117.97 1j5d n ARG 87 Ca 0.53 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 58.23 1j5d n ARG 87 Cb 0.35 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 1j5d n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j5d n GLY 88 N -1.75 1.18 0.15 -0.13 0.00 -1.26 -4.76 105.19 98.62 1j5d n GLY 88 Ca -0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1j5d n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5d h ALA 89 N 0.00 0.41 0.00 4.61 0.00 -1.99 -3.47 119.26 118.83 1j5d h ALA 89 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j5d h ALA 89 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1j5d h ALA 89 CO 0.00 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1j5d n GLY 90 N -1.18 0.69 2.91 0.00 0.00 -1.26 -5.02 105.19 101.32 1j5d n GLY 90 Ca -0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1j5d n GLY 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j5d n MET 91 N 0.00 2.40 -2.55 1.61 2.81 -1.26 -4.94 117.12 115.18 1j5d n MET 91 Ca 0.00 -2.38 -0.41 0.00 -1.81 0.00 0.00 57.70 53.10 1j5d n MET 91 Cb 0.00 -3.19 -0.04 0.00 -0.71 0.00 0.00 33.22 29.29 1j5d n MET 91 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1j5d s VAL 92 N 4.00 4.13 0.06 2.03 -7.23 -1.26 -4.26 120.40 117.86 1j5d s VAL 92 Ca 0.51 1.71 -0.26 0.00 -1.81 0.00 0.00 61.98 62.13 1j5d s VAL 92 Cb 0.13 -4.09 0.08 0.00 0.56 0.00 0.00 36.38 33.06 1j5d s VAL 92 CO -0.01 0.24 0.70 -0.83 -0.31 0.00 0.00 175.10 174.89 1j5d s GLY 93 N 0.28 -0.56 -0.11 2.32 0.00 -1.18 -4.57 107.32 103.50 1j5d s GLY 93 Ca 0.51 0.87 -0.14 0.00 0.00 0.00 0.00 44.72 45.96 1j5d s GLY 93 CO 0.32 0.41 0.37 -1.59 0.00 0.00 0.00 173.10 172.61 1j5d s LYS 94 N -2.94 0.50 0.05 2.90 -2.85 -0.89 -1.59 119.74 114.92 1j5d s LYS 94 Ca -0.01 0.36 0.03 0.00 -1.00 0.00 0.00 55.97 55.35 1j5d s LYS 94 Cb -0.01 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 1j5d s LYS 94 CO -0.07 -0.09 0.04 0.08 0.10 0.00 0.00 175.35 175.41 1j5d s VAL 95 N -0.17 4.32 -0.17 1.79 1.01 0.48 -3.84 120.40 123.83 1j5d s VAL 95 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1j5d s VAL 95 Cb -0.03 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.35 1j5d s VAL 95 CO 0.02 0.21 -0.13 -0.69 0.00 0.00 0.00 175.10 174.51 1j5d s VAL 96 N -1.27 1.59 0.25 2.92 1.01 -0.87 -0.94 120.40 123.09 1j5d s VAL 96 Ca 0.25 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1j5d s VAL 96 Cb -0.12 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 1j5d s VAL 96 CO 0.17 0.35 0.53 -0.69 0.00 0.00 0.00 175.10 175.46 1j5d s VAL 97 N 1.46 5.01 -0.87 2.92 1.01 -0.11 -2.61 120.40 127.22 1j5d s VAL 97 Ca 0.03 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1j5d s VAL 97 Cb -0.14 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.61 1j5d s VAL 97 CO -0.10 -0.19 0.72 -0.67 0.00 0.00 0.00 175.10 174.86