#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j82 h TYR 25 N 0.00 0.34 -0.30 1.20 3.20 -1.99 -1.59 116.97 117.83 1j82 h TYR 25 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1j82 h TYR 25 Cb 0.00 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1j82 h TYR 25 CO 0.00 0.02 0.04 0.00 -1.64 0.00 0.00 178.16 176.58 1j82 h ASN 27 N 0.32 0.00 0.03 0.00 4.21 -1.78 -1.50 115.58 116.86 1j82 h ASN 27 Ca 0.09 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.45 1j82 h ASN 27 Cb 0.36 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1j82 h ASN 27 CO 0.01 0.14 -0.79 1.56 -1.29 0.00 0.00 177.43 177.06 1j82 h GLN 28 N 0.00 0.07 -0.57 0.81 7.50 -1.03 -3.25 115.11 118.64 1j82 h GLN 28 Ca -0.00 -0.12 -0.09 0.00 0.50 0.00 0.00 58.65 58.94 1j82 h GLN 28 Cb 0.29 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 1j82 h GLN 28 CO 0.02 1.06 0.00 0.52 -1.50 0.00 0.00 178.83 178.93 1j82 h MET 29 N -0.82 0.98 -0.73 1.46 2.86 -0.94 0.60 114.93 118.34 1j82 h MET 29 Ca -0.19 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.13 1j82 h MET 29 Cb 1.30 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.83 1j82 h MET 29 CO -0.05 0.96 0.38 0.52 1.06 0.00 0.00 176.91 179.78 1j82 h MET 30 N 0.90 1.03 0.36 1.72 2.86 -1.45 0.53 114.93 120.88 1j82 h MET 30 Ca 0.17 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1j82 h MET 30 Cb 0.52 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1j82 h MET 30 CO 0.03 0.77 -0.17 -0.22 1.06 0.00 0.00 176.91 178.38 1j82 h LYS 31 N 1.03 -0.47 -0.60 1.72 1.63 -1.50 0.44 116.57 118.82 1j82 h LYS 31 Ca 0.26 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 60.18 1j82 h LYS 31 Cb 0.06 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 31.73 1j82 h LYS 31 CO -0.04 -0.15 0.22 0.77 -3.45 0.00 0.00 179.45 176.80 1j82 h SER 32 N -0.94 0.22 0.00 4.20 0.02 -0.76 -0.46 113.55 115.83 1j82 h SER 32 Ca -0.05 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1j82 h SER 32 Cb 0.53 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1j82 h SER 32 CO 0.08 0.13 0.00 0.54 -1.14 0.00 0.00 176.83 176.44 1j82 n ARG 33 N -5.00 0.81 -3.68 3.45 5.12 0.17 -4.85 116.66 112.67 1j82 n ARG 33 Ca 0.08 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.75 1j82 n ARG 33 Cb 0.27 -1.04 0.06 0.00 -1.16 0.00 0.00 32.46 30.58 1j82 n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1j82 n ASN 34 N -0.44 -5.05 -0.05 0.55 4.05 -0.18 -4.89 115.26 109.25 1j82 n ASN 34 Ca 0.00 -0.64 0.02 0.00 0.45 0.00 0.00 54.58 54.40 1j82 n ASN 34 Cb 0.02 -4.63 -0.16 0.00 1.23 0.00 0.00 39.78 36.24 1j82 n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1j82 n LEU 35 N -4.77 0.05 -2.06 1.20 4.32 0.15 -4.58 117.00 111.31 1j82 n LEU 35 Ca -0.04 0.02 -0.01 0.00 -0.02 0.00 0.00 56.01 55.96 1j82 n LEU 35 Cb 0.57 0.22 0.05 0.00 -1.62 0.00 0.00 43.42 42.64 1j82 n LEU 35 CO 0.68 0.22 0.08 0.35 -1.22 0.00 0.00 177.39 177.50 1j82 n THR 36 N -2.50 1.12 0.09 -5.08 -2.24 -1.01 -4.28 114.28 100.38 1j82 n THR 36 Ca -0.17 -2.51 0.07 0.00 -2.27 0.00 0.00 64.05 59.18 1j82 n THR 36 Cb 0.83 0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 69.77 1j82 n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1j82 h LYS 37 N 1.86 0.00 0.00 -0.78 1.57 -1.83 -3.37 116.57 114.02 1j82 h LYS 37 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1j82 h LYS 37 Cb 1.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.79 1j82 h LYS 37 CO 0.21 0.14 -0.18 -0.40 -0.57 0.00 0.00 179.45 178.66 1j82 n ASP 38 N -2.83 1.01 0.00 0.86 5.68 -1.26 -5.09 116.55 114.92 1j82 n ASP 38 Ca -0.03 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1j82 n ASP 38 Cb 0.66 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1j82 n ASP 38 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1j82 n ARG 39 N -0.50 -0.26 -3.96 0.11 1.85 -1.26 -5.13 116.66 107.51 1j82 n ARG 39 Ca 0.05 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.55 1j82 n ARG 39 Cb 0.57 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.84 1j82 n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j82 s LYS 41 N 1.40 4.33 0.11 0.00 2.20 -1.26 -5.00 119.74 121.51 1j82 s LYS 41 Ca 0.05 0.66 -0.28 0.00 -0.36 0.00 0.00 55.97 56.03 1j82 s LYS 41 Cb -0.14 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1j82 s LYS 41 CO -0.03 -0.01 1.62 -1.35 -0.36 0.00 0.00 175.35 175.23 1j82 h PRO 42 N 6.99 -0.53 -4.53 4.03 0.11 -1.97 -3.43 132.00 132.67 1j82 h PRO 42 Ca -0.38 0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.56 1j82 h PRO 42 Cb 1.17 0.12 -0.16 0.00 0.11 0.00 0.00 31.00 32.24 1j82 h PRO 42 CO 0.76 -0.36 -0.70 0.08 -0.21 0.00 0.00 178.00 177.57 1j82 s VAL 43 N -6.02 0.55 -0.18 3.15 1.01 -1.26 -1.52 120.40 116.12 1j82 s VAL 43 Ca -0.16 -1.69 -0.29 0.00 0.00 0.00 0.00 61.98 59.84 1j82 s VAL 43 Cb 0.08 -1.36 0.12 0.00 0.00 0.00 0.00 36.38 35.21 1j82 s VAL 43 CO 0.64 -0.78 0.98 0.21 0.00 0.00 0.00 175.10 176.15 1j82 s ASN 44 N -2.64 -0.42 -0.04 3.32 2.47 -0.97 -5.02 114.94 111.63 1j82 s ASN 44 Ca 0.05 0.56 0.06 0.00 0.42 0.00 0.00 52.86 53.95 1j82 s ASN 44 Cb 0.02 0.48 -0.01 0.00 -1.45 0.00 0.00 41.25 40.29 1j82 s ASN 44 CO -0.04 -0.31 -0.21 -0.89 -3.72 0.00 0.00 177.10 171.92 1j82 s THR 45 N -0.76 1.74 -0.14 -5.21 2.01 -1.26 -0.93 115.64 111.09 1j82 s THR 45 Ca -0.01 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 1j82 s THR 45 Cb -0.02 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1j82 s THR 45 CO 0.00 0.49 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.96 1j82 s PHE 46 N -0.17 2.87 -0.19 4.92 0.08 -0.69 -4.98 117.98 119.83 1j82 s PHE 46 Ca -0.01 -0.54 -0.11 0.00 0.12 0.00 0.00 56.93 56.39 1j82 s PHE 46 Cb -0.12 -1.87 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 1j82 s PHE 46 CO 0.02 -0.16 0.19 0.08 -0.10 0.00 0.00 175.22 175.25 1j82 s VAL 47 N 0.33 5.37 -0.78 -0.44 1.01 -1.26 -1.36 120.40 123.27 1j82 s VAL 47 Ca -0.09 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1j82 s VAL 47 Cb -0.15 -3.53 0.38 0.00 0.00 0.00 0.00 36.38 33.07 1j82 s VAL 47 CO 0.05 0.42 2.04 1.41 0.00 0.00 0.00 175.10 179.02 1j82 n HIS 48 N 3.56 3.03 -4.43 5.22 -0.00 0.57 -4.94 115.22 118.24 1j82 n HIS 48 Ca -0.14 -2.54 -0.21 0.00 -0.00 0.00 0.00 57.72 54.83 1j82 n HIS 48 Cb 0.52 -1.28 -0.10 0.00 -0.00 0.00 0.00 29.99 29.13 1j82 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1j82 s GLU 49 N -3.95 1.55 0.64 -0.41 0.41 -1.26 -4.73 118.70 110.94 1j82 s GLU 49 Ca 0.56 -1.81 -0.18 0.00 -0.41 0.00 0.00 54.97 53.14 1j82 s GLU 49 Cb 0.46 -1.04 -0.01 0.00 -1.78 0.00 0.00 34.13 31.76 1j82 s GLU 49 CO -0.29 -0.03 1.23 -1.54 -0.49 0.00 0.00 175.26 174.14 1j82 s SER 50 N -3.44 4.85 0.26 -0.19 1.04 -1.26 -4.89 113.70 110.06 1j82 s SER 50 Ca 0.31 2.43 -0.04 0.00 0.48 0.00 0.00 55.95 59.13 1j82 s SER 50 Cb 0.05 -2.60 0.31 0.00 0.10 0.00 0.00 66.02 63.88 1j82 s SER 50 CO 0.12 -1.83 1.81 0.25 0.98 0.00 0.00 173.24 174.57 1j82 h LEU 51 N 0.54 0.90 -0.58 2.42 5.85 -1.99 -2.31 115.31 120.14 1j82 h LEU 51 Ca -0.50 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.00 1j82 h LEU 51 Cb 1.31 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1j82 h LEU 51 CO 0.53 0.84 0.11 0.00 -0.34 0.00 0.00 178.44 179.59 1j82 h ALA 52 N 1.28 0.77 -0.34 1.25 0.00 -1.98 0.16 119.26 120.40 1j82 h ALA 52 Ca 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1j82 h ALA 52 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1j82 h ALA 52 CO -0.01 0.51 0.06 -0.44 0.00 0.00 0.00 179.25 179.37 1j82 h ASP 53 N 0.86 0.46 0.41 0.00 3.32 -1.87 -0.82 116.42 118.78 1j82 h ASP 53 Ca 0.18 -0.07 -0.27 0.00 0.02 0.00 0.00 57.03 56.89 1j82 h ASP 53 Cb 0.40 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1j82 h ASP 53 CO 0.01 0.49 -1.17 0.58 -1.72 0.00 0.00 179.24 177.43 1j82 h VAL 54 N 0.49 1.41 0.00 -1.35 2.07 -1.07 -3.18 116.25 114.62 1j82 h VAL 54 Ca 0.11 -2.72 -0.04 0.00 0.82 0.00 0.00 66.70 64.87 1j82 h VAL 54 Cb 0.23 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1j82 h VAL 54 CO -0.00 0.81 -0.21 1.56 0.02 0.00 0.00 177.57 179.75 1j82 h GLN 55 N 0.17 0.00 0.00 1.57 4.20 -0.61 -2.20 115.11 118.24 1j82 h GLN 55 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1j82 h GLN 55 Cb 1.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.63 1j82 h GLN 55 CO 0.20 0.21 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 1j82 h ALA 56 N 1.79 1.00 0.00 3.87 0.00 -1.13 -2.82 119.26 121.96 1j82 h ALA 56 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j82 h ALA 56 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1j82 h ALA 56 CO 0.03 0.00 -0.07 0.28 0.00 0.00 0.00 179.25 179.49 1j82 h VAL 57 N 0.00 0.35 0.00 0.00 2.07 -1.51 -2.64 116.25 114.52 1j82 h VAL 57 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1j82 h VAL 57 Cb 0.29 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1j82 h VAL 57 CO 0.00 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1j82 n SER 59 N -0.92 1.22 0.00 0.00 3.41 -1.00 -5.03 113.62 111.31 1j82 n SER 59 Ca 0.09 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1j82 n SER 59 Cb 0.04 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1j82 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j82 n GLN 60 N -0.58 2.26 -2.14 4.33 6.02 -0.71 -4.98 117.38 121.57 1j82 n GLN 60 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 1j82 n GLN 60 Cb 0.54 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.77 1j82 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1j82 s LYS 61 N 4.56 3.59 0.20 -1.09 2.47 -1.12 -4.87 119.74 123.47 1j82 s LYS 61 Ca 0.00 1.40 -0.30 0.00 -1.56 0.00 0.00 55.97 55.51 1j82 s LYS 61 Cb 0.00 -4.08 -0.08 0.00 -1.46 0.00 0.00 37.83 32.21 1j82 s LYS 61 CO 0.00 -1.55 1.09 1.21 0.16 0.00 0.00 175.35 176.27 1j82 s ASN 62 N 4.76 7.28 0.28 1.43 3.04 -1.26 -0.14 114.94 130.33 1j82 s ASN 62 Ca 0.71 2.11 -0.06 0.00 0.04 0.00 0.00 52.86 55.67 1j82 s ASN 62 Cb -0.21 -2.61 -0.01 0.00 -1.54 0.00 0.00 41.25 36.88 1j82 s ASN 62 CO 0.31 -0.19 0.40 0.68 -3.04 0.00 0.00 177.10 175.26 1j82 s VAL 63 N -0.42 0.00 0.38 -5.21 -7.23 -0.28 -4.91 120.40 102.73 1j82 s VAL 63 Ca 0.48 -1.62 -0.17 0.00 -1.81 0.00 0.00 61.98 58.86 1j82 s VAL 63 Cb -0.30 -2.45 -0.10 0.00 0.56 0.00 0.00 36.38 34.10 1j82 s VAL 63 CO 0.36 0.00 0.84 0.00 -0.31 0.00 0.00 175.10 175.99 1j82 s ALA 64 N -3.65 3.20 0.58 1.32 0.00 -1.26 -3.21 121.76 118.74 1j82 s ALA 64 Ca 0.30 0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 1j82 s ALA 64 Cb 0.01 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 20.21 1j82 s ALA 64 CO 0.15 0.19 0.88 0.00 0.00 0.00 0.00 175.76 176.97 1j82 h LYS 66 N -0.13 0.77 0.00 0.00 1.57 -1.92 -0.66 116.57 116.20 1j82 h LYS 66 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1j82 h LYS 66 Cb 1.26 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1j82 h LYS 66 CO 0.60 0.51 0.00 0.27 -0.57 0.00 0.00 179.45 180.26 1j82 n ASN 67 N -4.75 0.00 0.00 0.86 6.94 -1.26 -4.89 115.26 112.16 1j82 n ASN 67 Ca 0.16 -0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1j82 n ASN 67 Cb 0.35 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1j82 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1j82 n GLY 68 N 0.34 2.60 3.66 4.83 0.00 -0.25 -5.07 105.19 111.29 1j82 n GLY 68 Ca 0.11 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1j82 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j82 n GLN 69 N 0.00 -0.14 -2.04 1.61 1.13 -1.26 -4.47 117.38 112.21 1j82 n GLN 69 Ca 0.00 0.03 -0.25 0.00 -1.94 0.00 0.00 57.00 54.84 1j82 n GLN 69 Cb 0.00 -2.35 0.02 0.00 0.11 0.00 0.00 30.24 28.02 1j82 n GLN 69 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1j82 n THR 70 N -3.72 2.58 -1.61 5.09 -2.24 -1.26 0.74 114.28 113.86 1j82 n THR 70 Ca 0.12 -4.24 -0.29 0.00 -2.27 0.00 0.00 64.05 57.37 1j82 n THR 70 Cb 0.51 -1.16 0.06 0.00 -2.10 0.00 0.00 70.33 67.64 1j82 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1j82 n ASN 71 N -0.69 6.35 -4.60 3.42 6.94 -1.26 -4.75 115.26 120.67 1j82 n ASN 71 Ca 0.45 -3.77 -0.26 0.00 -0.02 0.00 0.00 54.58 50.97 1j82 n ASN 71 Cb 0.90 -0.71 -0.09 0.00 -2.36 0.00 0.00 39.78 37.53 1j82 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1j82 s TYR 73 N -1.80 -0.06 -0.04 0.00 2.02 0.02 -1.13 117.35 116.36 1j82 s TYR 73 Ca 0.26 0.16 -0.00 0.00 -0.37 0.00 0.00 57.07 57.12 1j82 s TYR 73 Cb -0.09 0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.46 1j82 s TYR 73 CO 0.17 -0.06 0.02 -1.14 -1.57 0.00 0.00 175.55 172.96 1j82 s GLN 74 N -0.08 2.93 0.27 -0.62 0.74 0.80 -1.90 119.66 121.80 1j82 s GLN 74 Ca -0.01 -0.49 -0.29 0.00 0.05 0.00 0.00 55.36 54.61 1j82 s GLN 74 Cb -0.01 -2.76 -0.09 0.00 1.10 0.00 0.00 33.01 31.24 1j82 s GLN 74 CO 0.00 0.67 1.03 -1.54 -0.55 0.00 0.00 175.29 174.90 1j82 s SER 75 N -1.27 7.39 0.22 6.67 1.04 -0.82 -2.80 113.70 124.14 1j82 s SER 75 Ca 0.17 2.13 -0.07 0.00 0.48 0.00 0.00 55.95 58.65 1j82 s SER 75 Cb -0.11 -2.62 0.19 0.00 0.10 0.00 0.00 66.02 63.57 1j82 s SER 75 CO 0.07 -0.04 1.83 1.88 0.98 0.00 0.00 173.24 177.96 1j82 h TYR 76 N 3.86 1.22 -0.96 5.02 0.05 -1.98 -3.44 116.97 120.74 1j82 h TYR 76 Ca -0.46 -0.05 -0.56 0.00 0.05 0.00 0.00 58.73 57.71 1j82 h TYR 76 Cb 1.21 -0.38 -0.05 0.00 1.01 0.00 0.00 36.73 38.52 1j82 h TYR 76 CO 0.60 0.87 -0.35 -1.54 -1.05 0.00 0.00 178.16 176.69 1j82 s SER 77 N -6.26 4.71 0.31 3.88 1.04 -1.26 -5.07 113.70 111.05 1j82 s SER 77 Ca -0.13 -1.09 -0.05 0.00 0.48 0.00 0.00 55.95 55.17 1j82 s SER 77 Cb 0.16 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 1j82 s SER 77 CO 0.83 -0.91 0.58 0.42 0.98 0.00 0.00 173.24 175.13 1j82 s THR 78 N -2.67 5.01 0.12 2.02 -4.23 -1.26 -4.32 115.64 110.31 1j82 s THR 78 Ca 0.39 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 61.02 1j82 s THR 78 Cb -0.02 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1j82 s THR 78 CO 0.23 -0.36 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.81 1j82 s MET 79 N -3.64 0.94 -0.06 3.99 -1.94 -0.10 -4.82 119.30 113.67 1j82 s MET 79 Ca 0.44 -1.31 -0.30 0.00 -1.71 0.00 0.00 55.69 52.82 1j82 s MET 79 Cb -0.11 -0.54 -0.03 0.00 2.01 0.00 0.00 34.83 36.16 1j82 s MET 79 CO 0.31 0.07 1.15 0.45 -0.01 0.00 0.00 175.02 176.98 1j82 s SER 80 N -2.82 7.11 0.06 3.03 0.15 -1.26 -1.73 113.70 118.23 1j82 s SER 80 Ca 0.11 1.76 -0.04 0.00 0.70 0.00 0.00 55.95 58.48 1j82 s SER 80 Cb 0.00 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1j82 s SER 80 CO -0.00 -0.53 0.05 0.27 1.20 0.00 0.00 173.24 174.22 1j82 s ILE 81 N 2.05 0.18 -0.10 6.45 -4.36 0.56 -0.31 121.20 125.67 1j82 s ILE 81 Ca 0.54 -1.51 0.01 0.00 -0.26 0.00 0.00 60.65 59.44 1j82 s ILE 81 Cb -0.23 -1.34 0.02 0.00 1.25 0.00 0.00 42.46 42.15 1j82 s ILE 81 CO 0.22 -0.83 -0.13 -0.89 0.24 0.00 0.00 174.94 173.54 1j82 s THR 82 N -3.65 1.31 -0.15 8.37 2.01 -0.47 -0.88 115.64 122.19 1j82 s THR 82 Ca 0.04 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 1j82 s THR 82 Cb 0.05 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 1j82 s THR 82 CO -0.09 0.40 0.21 -0.62 -0.69 0.00 0.00 174.62 173.83 1j82 s ASP 83 N 1.03 6.39 -0.22 3.53 -1.08 0.78 -1.71 116.67 125.39 1j82 s ASP 83 Ca -0.07 0.45 -0.01 0.00 -0.52 0.00 0.00 52.55 52.40 1j82 s ASP 83 Cb -0.15 -2.13 0.02 0.00 -1.46 0.00 0.00 42.92 39.20 1j82 s ASP 83 CO -0.01 0.23 -0.10 0.00 0.52 0.00 0.00 175.17 175.81 1j82 s ARG 85 N 1.35 2.80 0.44 0.00 6.06 -0.77 -2.30 118.95 126.52 1j82 s ARG 85 Ca 0.03 -0.79 -0.24 0.00 -2.50 0.00 0.00 55.73 52.24 1j82 s ARG 85 Cb -0.15 -2.19 -0.08 0.00 0.06 0.00 0.00 34.95 32.59 1j82 s ARG 85 CO -0.07 0.09 1.16 -2.00 -2.50 0.00 0.00 175.30 171.98 1j82 s GLU 86 N 0.57 3.85 0.94 5.12 2.12 -0.58 0.11 118.70 130.83 1j82 s GLU 86 Ca -0.14 1.78 -0.14 0.00 0.36 0.00 0.00 54.97 56.83 1j82 s GLU 86 Cb -0.17 -2.48 0.20 0.00 0.26 0.00 0.00 34.13 31.95 1j82 s GLU 86 CO 0.04 -0.48 1.28 0.95 -0.54 0.00 0.00 175.26 176.52 1j82 s THR 87 N -1.52 2.01 0.12 -1.70 -4.23 -0.61 -4.81 115.64 104.90 1j82 s THR 87 Ca 0.62 -0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 61.00 1j82 s THR 87 Cb -0.29 -2.91 -0.20 0.00 1.34 0.00 0.00 72.50 70.44 1j82 s THR 87 CO 0.35 0.00 1.27 1.23 -0.54 0.00 0.00 174.62 176.94 1j82 h GLY 88 N -1.52 0.36 2.00 3.99 0.00 -1.96 -3.24 103.07 102.71 1j82 h GLY 88 Ca -0.43 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.20 1j82 h GLY 88 CO 0.35 0.62 0.00 -1.14 0.00 0.00 0.00 176.54 176.38 1j82 n SER 89 N -3.66 0.08 -4.75 0.19 3.41 -1.26 -4.88 113.62 102.74 1j82 n SER 89 Ca -0.06 0.51 -0.41 0.00 -0.26 0.00 0.00 58.87 58.64 1j82 n SER 89 Cb 0.88 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1j82 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j82 s SER 90 N -3.14 6.43 -0.26 4.04 0.15 -1.23 -5.01 113.70 114.68 1j82 s SER 90 Ca 0.12 2.90 -0.24 0.00 0.70 0.00 0.00 55.95 59.44 1j82 s SER 90 Cb 0.16 -2.64 0.07 0.00 -1.71 0.00 0.00 66.02 61.90 1j82 s SER 90 CO 0.47 -0.87 0.70 -0.75 1.20 0.00 0.00 173.24 173.99 1j82 s LYS 91 N -0.64 0.80 0.40 5.44 2.20 -1.05 -4.95 119.74 121.96 1j82 s LYS 91 Ca 0.61 0.99 -0.27 0.00 -0.36 0.00 0.00 55.97 56.94 1j82 s LYS 91 Cb -0.46 0.38 -0.10 0.00 -1.51 0.00 0.00 37.83 36.14 1j82 s LYS 91 CO 0.48 -0.10 1.40 -0.47 -0.36 0.00 0.00 175.35 176.31 1j82 s TYR 92 N 0.47 2.66 -2.04 4.03 5.04 -1.26 0.89 117.35 127.13 1j82 s TYR 92 Ca -0.01 1.28 0.11 0.00 -2.44 0.00 0.00 57.07 56.01 1j82 s TYR 92 Cb -0.05 -3.87 0.50 0.00 0.35 0.00 0.00 41.96 38.90 1j82 s TYR 92 CO -0.01 -2.62 1.34 -0.35 -1.34 0.00 0.00 175.55 172.57 1j82 n PRO 93 N 0.23 1.26 -3.59 4.97 -0.04 -1.26 -5.00 135.00 131.57 1j82 n PRO 93 Ca 0.03 -0.40 -0.38 0.00 -0.04 0.00 0.00 63.50 62.71 1j82 n PRO 93 Cb 0.41 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 1j82 n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1j82 s ASN 94 N -1.26 6.06 0.36 3.54 0.01 0.26 -5.06 114.94 118.85 1j82 s ASN 94 Ca 0.17 -3.40 -0.25 0.00 -0.71 0.00 0.00 52.86 48.67 1j82 s ASN 94 Cb 0.09 -1.97 -0.10 0.00 0.41 0.00 0.00 41.25 39.68 1j82 s ASN 94 CO 0.13 -0.28 0.98 0.00 -1.51 0.00 0.00 177.10 176.43 1j82 s ALA 96 N -1.67 0.66 0.07 0.00 0.00 -1.26 -4.96 121.76 114.60 1j82 s ALA 96 Ca 0.53 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.24 1j82 s ALA 96 Cb -0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1j82 s ALA 96 CO 0.24 0.15 -0.15 0.71 0.00 0.00 0.00 175.76 176.71 1j82 s TYR 97 N -0.08 1.32 -0.23 0.00 2.02 -1.26 -1.57 117.35 117.54 1j82 s TYR 97 Ca 0.02 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 1j82 s TYR 97 Cb -0.04 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 1j82 s TYR 97 CO -0.00 0.08 0.10 0.21 -1.57 0.00 0.00 175.55 174.36 1j82 s LYS 98 N -1.62 3.87 -0.21 -0.62 2.20 0.31 -4.84 119.74 118.82 1j82 s LYS 98 Ca 0.00 -0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.10 1j82 s LYS 98 Cb -0.10 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1j82 s LYS 98 CO 0.02 -0.00 0.30 0.99 -0.36 0.00 0.00 175.35 176.30 1j82 s THR 99 N 1.17 5.26 -0.22 3.43 2.01 -1.26 -1.85 115.64 124.18 1j82 s THR 99 Ca 0.05 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 1j82 s THR 99 Cb -0.14 -3.64 0.06 0.00 0.01 0.00 0.00 72.50 68.79 1j82 s THR 99 CO 0.04 0.29 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.36 1j82 s THR 100 N 1.18 1.12 0.18 -0.82 2.01 -0.58 -4.98 115.64 113.74 1j82 s THR 100 Ca 0.15 -0.95 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 1j82 s THR 100 Cb -0.14 -1.49 -0.08 0.00 0.01 0.00 0.00 72.50 70.80 1j82 s THR 100 CO 0.06 -0.15 0.67 -1.58 -0.69 0.00 0.00 174.62 172.94 1j82 s GLN 101 N 1.58 4.22 0.17 4.92 2.00 -1.26 -0.15 119.66 131.14 1j82 s GLN 101 Ca -0.04 0.80 -0.24 0.00 -2.00 0.00 0.00 55.36 53.88 1j82 s GLN 101 Cb -0.18 -2.99 0.06 0.00 0.80 0.00 0.00 33.01 30.71 1j82 s GLN 101 CO -0.07 0.47 0.97 0.00 -0.50 0.00 0.00 175.29 176.16 1j82 s ALA 102 N -1.41 -1.61 -0.27 1.58 0.00 -0.06 -4.97 121.76 115.02 1j82 s ALA 102 Ca 0.39 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1j82 s ALA 102 Cb -0.17 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.68 1j82 s ALA 102 CO 0.21 -1.05 -0.02 -0.80 0.00 0.00 0.00 175.76 174.11 1j82 s ASN 103 N -3.03 4.19 0.15 0.00 0.01 -1.26 -0.32 114.94 114.69 1j82 s ASN 103 Ca 0.14 -1.52 -0.03 0.00 -0.71 0.00 0.00 52.86 50.74 1j82 s ASN 103 Cb -0.02 -1.30 -0.03 0.00 0.41 0.00 0.00 41.25 40.31 1j82 s ASN 103 CO 0.03 -0.29 0.14 -0.54 -1.51 0.00 0.00 177.10 174.93 1j82 s LYS 104 N 1.26 1.05 0.33 -0.60 1.02 -0.70 -4.70 119.74 117.39 1j82 s LYS 104 Ca -0.00 -1.39 -0.28 0.00 0.02 0.00 0.00 55.97 54.32 1j82 s LYS 104 Cb -0.19 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.32 1j82 s LYS 104 CO -0.09 -0.34 1.11 -1.01 -0.92 0.00 0.00 175.35 174.10 1j82 s HIS 105 N -4.04 3.41 0.14 3.18 3.76 -1.26 -0.93 115.29 119.54 1j82 s HIS 105 Ca 0.25 1.65 0.05 0.00 -0.15 0.00 0.00 55.06 56.85 1j82 s HIS 105 Cb 0.06 -3.29 -0.04 0.00 1.11 0.00 0.00 32.58 30.42 1j82 s HIS 105 CO 0.03 -0.76 0.10 0.96 -0.85 0.00 0.00 174.74 174.22 1j82 s ILE 106 N -1.30 4.37 -0.19 0.60 -4.36 -1.26 -0.55 121.20 118.50 1j82 s ILE 106 Ca 0.49 -1.04 0.00 0.00 -0.26 0.00 0.00 60.65 59.85 1j82 s ILE 106 Cb -0.30 -3.19 0.05 0.00 1.25 0.00 0.00 42.46 40.27 1j82 s ILE 106 CO 0.39 -0.04 -0.07 -0.63 0.24 0.00 0.00 174.94 174.83 1j82 s ILE 107 N -1.63 1.37 0.14 8.37 1.01 0.13 -1.95 121.20 128.66 1j82 s ILE 107 Ca 0.30 -0.90 0.11 0.00 0.00 0.00 0.00 60.65 60.16 1j82 s ILE 107 Cb -0.11 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1j82 s ILE 107 CO 0.22 0.08 -0.25 0.68 0.00 0.00 0.00 174.94 175.67 1j82 s VAL 108 N 1.50 2.20 -0.21 2.92 -7.23 -0.80 -0.70 120.40 118.08 1j82 s VAL 108 Ca -0.02 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.25 1j82 s VAL 108 Cb -0.16 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1j82 s VAL 108 CO -0.08 0.00 0.13 0.00 -0.31 0.00 0.00 175.10 174.84 1j82 s ALA 109 N -1.27 3.64 0.16 1.32 0.00 -0.83 -0.80 121.76 123.97 1j82 s ALA 109 Ca 0.15 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1j82 s ALA 109 Cb -0.09 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1j82 s ALA 109 CO 0.07 0.07 0.09 0.00 0.00 0.00 0.00 175.76 175.98 1j82 s GLU 111 N -3.00 0.96 0.10 0.00 2.02 -0.38 -4.92 118.70 113.48 1j82 s GLU 111 Ca 0.30 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1j82 s GLU 111 Cb -0.10 0.45 0.00 0.00 0.10 0.00 0.00 34.13 34.58 1j82 s GLU 111 CO 0.22 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1j82 n GLY 112 N 0.13 -3.10 2.63 -1.39 0.00 -1.26 -2.42 105.19 99.78 1j82 n GLY 112 Ca -0.14 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 1j82 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j82 s ASN 113 N -1.78 2.33 0.78 1.61 2.47 -1.26 -2.63 114.94 116.46 1j82 s ASN 113 Ca 0.00 -0.67 -0.12 0.00 0.42 0.00 0.00 52.86 52.49 1j82 s ASN 113 Cb 0.00 -0.08 0.07 0.00 -1.45 0.00 0.00 41.25 39.79 1j82 s ASN 113 CO 0.00 -0.36 1.15 -2.16 -3.72 0.00 0.00 177.10 172.00 1j82 s PRO 114 N 2.19 1.93 -0.58 0.43 0.04 -1.26 -5.07 135.00 132.68 1j82 s PRO 114 Ca 0.05 1.50 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 1j82 s PRO 114 Cb -0.16 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1j82 s PRO 114 CO -0.16 -1.94 1.70 -0.47 0.04 0.00 0.00 177.00 176.17 1j82 s TYR 115 N -2.46 1.87 0.22 0.56 5.04 -1.08 -4.89 117.35 116.62 1j82 s TYR 115 Ca 0.68 0.61 0.05 0.00 -2.44 0.00 0.00 57.07 55.97 1j82 s TYR 115 Cb -0.23 -4.21 -0.05 0.00 0.35 0.00 0.00 41.96 37.82 1j82 s TYR 115 CO 0.51 -2.29 -0.06 0.14 -1.34 0.00 0.00 175.55 172.51 1j82 s VAL 116 N 7.83 1.34 0.37 3.14 -7.23 -1.02 -4.82 120.40 120.00 1j82 s VAL 116 Ca 0.62 -2.09 -0.27 0.00 -1.81 0.00 0.00 61.98 58.43 1j82 s VAL 116 Cb -0.13 -2.22 -0.09 0.00 0.56 0.00 0.00 36.38 34.50 1j82 s VAL 116 CO 0.23 -0.45 1.25 -2.84 -0.31 0.00 0.00 175.10 172.98 1j82 s PRO 117 N -3.77 4.19 0.00 4.82 0.02 -1.26 -1.24 135.00 137.76 1j82 s PRO 117 Ca 0.25 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1j82 s PRO 117 Cb 0.03 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.67 1j82 s PRO 117 CO 0.08 -0.27 0.00 1.33 -0.33 0.00 0.00 177.00 177.80 1j82 n VAL 118 N 0.45 0.00 -3.80 3.83 0.24 -0.51 -4.89 118.33 113.65 1j82 n VAL 118 Ca 0.02 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 1j82 n VAL 118 Cb 0.44 0.72 -0.09 0.00 -1.47 0.00 0.00 33.84 33.44 1j82 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1j82 s HIS 119 N -0.60 -0.13 -0.36 6.34 3.76 -1.22 -5.03 115.29 118.05 1j82 s HIS 119 Ca 0.00 0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 55.00 1j82 s HIS 119 Cb 0.00 0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.75 1j82 s HIS 119 CO 0.00 -0.32 0.23 0.12 -0.85 0.00 0.00 174.74 173.92 1j82 s PHE 120 N -1.13 3.22 -0.12 1.40 2.19 -1.26 -1.96 117.98 120.32 1j82 s PHE 120 Ca -0.12 -0.56 -0.16 0.00 0.33 0.00 0.00 56.93 56.42 1j82 s PHE 120 Cb -0.05 -2.47 -0.26 0.00 -1.31 0.00 0.00 43.02 38.93 1j82 s PHE 120 CO 0.03 -0.50 0.49 0.22 1.83 0.00 0.00 175.22 177.28 1j82 h ASP 121 N 8.48 0.33 -1.80 6.13 3.58 -1.26 -3.49 116.42 128.38 1j82 h ASP 121 Ca -0.29 -0.82 0.28 0.00 0.42 0.00 0.00 57.03 56.61 1j82 h ASP 121 Cb 1.13 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.02 1j82 h ASP 121 CO 0.66 1.62 0.73 0.00 -2.88 0.00 0.00 179.24 179.37 1j82 n ALA 122 N -3.02 -2.93 -3.54 -0.78 0.00 -0.99 -4.95 120.51 104.30 1j82 n ALA 122 Ca -0.27 -0.66 -0.20 0.00 0.00 0.00 0.00 53.44 52.31 1j82 n ALA 122 Cb 0.88 0.14 -0.14 0.00 0.00 0.00 0.00 19.45 20.33 1j82 n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j82 s SER 123 N -3.31 1.47 0.00 0.00 1.04 -1.26 0.22 113.70 111.87 1j82 s SER 123 Ca 0.24 -0.22 0.28 0.00 0.48 0.00 0.00 55.95 56.74 1j82 s SER 123 Cb -0.01 0.26 1.10 0.00 0.10 0.00 0.00 66.02 67.47 1j82 s SER 123 CO -0.00 -0.32 1.77 1.33 0.98 0.00 0.00 173.24 177.00