#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j81 h TYR 25 N 0.00 0.55 0.05 -2.53 3.20 -1.99 -1.94 116.97 114.31 1j81 h TYR 25 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1j81 h TYR 25 Cb 0.00 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1j81 h TYR 25 CO 0.00 0.07 -0.02 0.00 -1.64 0.00 0.00 178.16 176.56 1j81 h ASN 27 N -0.29 0.84 0.13 0.00 4.21 -1.84 -0.40 115.58 118.23 1j81 h ASN 27 Ca -0.01 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1j81 h ASN 27 Cb 0.26 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1j81 h ASN 27 CO 0.01 0.58 -0.06 -0.61 -1.29 0.00 0.00 177.43 176.06 1j81 h GLN 28 N 0.98 -0.17 -0.37 0.81 5.75 -1.18 -3.02 115.11 117.92 1j81 h GLN 28 Ca 0.32 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.72 1j81 h GLN 28 Cb 0.05 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1j81 h GLN 28 CO -0.09 0.29 -0.20 0.52 -2.65 0.00 0.00 178.83 176.69 1j81 h MET 29 N -0.73 0.71 -0.49 1.69 2.86 -0.42 -1.24 114.93 117.30 1j81 h MET 29 Ca -0.02 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 1j81 h MET 29 Cb 0.53 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1j81 h MET 29 CO 0.03 0.86 0.24 0.52 1.06 0.00 0.00 176.91 179.62 1j81 h MET 30 N 0.63 0.71 0.23 1.72 2.86 -1.19 -0.25 114.93 119.63 1j81 h MET 30 Ca 0.09 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1j81 h MET 30 Cb 0.69 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1j81 h MET 30 CO 0.05 0.59 -0.11 -0.22 1.06 0.00 0.00 176.91 178.29 1j81 h LYS 31 N 0.65 -0.30 -0.99 1.72 1.63 -1.39 0.17 116.57 118.06 1j81 h LYS 31 Ca 0.17 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.14 1j81 h LYS 31 Cb 0.12 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 31.72 1j81 h LYS 31 CO -0.02 -0.00 0.61 0.77 -3.45 0.00 0.00 179.45 177.35 1j81 h SER 32 N -0.59 0.84 -0.13 4.20 0.02 -1.12 -0.69 113.55 116.07 1j81 h SER 32 Ca -0.03 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1j81 h SER 32 Cb 0.43 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1j81 h SER 32 CO 0.05 0.38 0.00 0.54 -1.14 0.00 0.00 176.83 176.67 1j81 n ARG 33 N -4.70 1.63 -3.53 3.45 5.12 -0.12 -4.86 116.66 113.65 1j81 n ARG 33 Ca 0.20 -0.62 -0.22 0.00 -1.93 0.00 0.00 57.85 55.29 1j81 n ARG 33 Cb 0.45 -1.44 0.08 0.00 -1.16 0.00 0.00 32.46 30.39 1j81 n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1j81 n ASN 34 N 0.06 -5.16 -0.07 0.55 4.05 -0.27 -4.91 115.26 109.50 1j81 n ASN 34 Ca 0.06 -0.55 -0.08 0.00 0.45 0.00 0.00 54.58 54.46 1j81 n ASN 34 Cb 0.32 -4.97 -0.12 0.00 1.23 0.00 0.00 39.78 36.24 1j81 n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1j81 n LEU 35 N -4.70 0.11 -0.71 1.20 4.77 0.55 -4.63 117.00 113.60 1j81 n LEU 35 Ca -0.07 -0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.97 1j81 n LEU 35 Cb 0.59 0.33 0.15 0.00 -2.33 0.00 0.00 43.42 42.16 1j81 n LEU 35 CO 0.63 0.39 0.32 0.35 -1.33 0.00 0.00 177.39 177.75 1j81 n THR 36 N -2.57 1.63 0.06 -5.08 -2.24 -1.04 -4.27 114.28 100.77 1j81 n THR 36 Ca -0.25 -2.53 -0.12 0.00 -2.27 0.00 0.00 64.05 58.88 1j81 n THR 36 Cb 0.98 0.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.12 1j81 n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1j81 h LYS 37 N 0.83 0.13 0.00 -0.78 1.57 -1.82 -3.37 116.57 113.13 1j81 h LYS 37 Ca -0.05 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1j81 h LYS 37 Cb 1.20 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1j81 h LYS 37 CO 0.02 1.01 -0.02 -0.40 -0.57 0.00 0.00 179.45 179.49 1j81 n ASP 38 N -3.38 1.81 0.00 0.86 5.68 -1.26 -5.07 116.55 115.19 1j81 n ASP 38 Ca -0.09 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.01 1j81 n ASP 38 Cb 1.00 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 1j81 n ASP 38 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1j81 n ARG 39 N -0.68 0.00 -3.77 0.11 1.85 -1.26 -5.12 116.66 107.79 1j81 n ARG 39 Ca 0.04 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.53 1j81 n ARG 39 Cb 0.40 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.68 1j81 n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j81 s LYS 41 N 1.56 4.29 0.14 0.00 2.20 -1.26 -4.99 119.74 121.68 1j81 s LYS 41 Ca 0.05 0.68 -0.24 0.00 -0.36 0.00 0.00 55.97 56.10 1j81 s LYS 41 Cb -0.16 -3.53 -0.00 0.00 -1.51 0.00 0.00 37.83 32.63 1j81 s LYS 41 CO 0.02 -0.12 1.62 -1.35 -0.36 0.00 0.00 175.35 175.16 1j81 h PRO 42 N 7.19 -0.32 -4.59 4.03 0.11 -1.97 -3.43 132.00 133.01 1j81 h PRO 42 Ca -0.35 0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.54 1j81 h PRO 42 Cb 1.16 0.07 -0.18 0.00 0.11 0.00 0.00 31.00 32.16 1j81 h PRO 42 CO 0.77 -0.22 -0.71 0.14 -0.21 0.00 0.00 178.00 177.77 1j81 s VAL 43 N -6.03 0.60 -0.28 3.15 -7.23 -1.26 -1.30 120.40 108.04 1j81 s VAL 43 Ca -0.15 -1.49 -0.23 0.00 -1.81 0.00 0.00 61.98 58.30 1j81 s VAL 43 Cb 0.11 -1.13 0.10 0.00 0.56 0.00 0.00 36.38 36.02 1j81 s VAL 43 CO 0.67 -0.63 0.87 0.21 -0.31 0.00 0.00 175.10 175.91 1j81 s ASN 44 N -2.29 -0.63 -0.09 4.85 2.47 -0.67 -5.01 114.94 113.56 1j81 s ASN 44 Ca 0.00 1.16 0.02 0.00 0.42 0.00 0.00 52.86 54.46 1j81 s ASN 44 Cb -0.02 1.20 -0.02 0.00 -1.45 0.00 0.00 41.25 40.95 1j81 s ASN 44 CO -0.02 -0.20 -0.13 -0.89 -3.72 0.00 0.00 177.10 172.14 1j81 s THR 45 N 0.59 3.12 -0.12 -5.21 2.01 -1.26 -0.77 115.64 113.99 1j81 s THR 45 Ca -0.01 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 1j81 s THR 45 Cb -0.05 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1j81 s THR 45 CO -0.06 0.56 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.97 1j81 s PHE 46 N -0.26 2.87 -0.20 4.92 0.08 -0.58 -4.97 117.98 119.84 1j81 s PHE 46 Ca 0.02 -0.38 -0.09 0.00 0.12 0.00 0.00 56.93 56.59 1j81 s PHE 46 Cb -0.13 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.45 1j81 s PHE 46 CO 0.03 -0.02 0.11 0.08 -0.10 0.00 0.00 175.22 175.32 1j81 s VAL 47 N 0.02 5.24 -0.66 -0.44 1.01 -1.26 -1.23 120.40 123.09 1j81 s VAL 47 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1j81 s VAL 47 Cb -0.14 -3.39 0.44 0.00 0.00 0.00 0.00 36.38 33.29 1j81 s VAL 47 CO 0.04 0.44 1.94 1.41 0.00 0.00 0.00 175.10 178.93 1j81 n HIS 48 N 3.56 3.16 -4.46 5.22 -0.00 0.06 -4.93 115.22 117.83 1j81 n HIS 48 Ca -0.16 -2.86 -0.24 0.00 -0.00 0.00 0.00 57.72 54.46 1j81 n HIS 48 Cb 0.52 -1.29 -0.10 0.00 -0.00 0.00 0.00 29.99 29.12 1j81 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1j81 s GLU 49 N -3.84 1.65 0.82 -0.41 0.41 -1.26 -4.76 118.70 111.32 1j81 s GLU 49 Ca 0.62 -1.77 -0.13 0.00 -0.41 0.00 0.00 54.97 53.28 1j81 s GLU 49 Cb 0.49 -1.67 0.09 0.00 -1.78 0.00 0.00 34.13 31.26 1j81 s GLU 49 CO -0.07 0.28 1.19 -1.54 -0.49 0.00 0.00 175.26 174.64 1j81 s SER 50 N -3.50 3.52 0.34 -0.19 1.04 -1.26 -4.87 113.70 108.78 1j81 s SER 50 Ca 0.29 2.33 0.05 0.00 0.48 0.00 0.00 55.95 59.11 1j81 s SER 50 Cb -0.03 -2.58 0.60 0.00 0.10 0.00 0.00 66.02 64.10 1j81 s SER 50 CO 0.14 -2.71 1.85 0.25 0.98 0.00 0.00 173.24 173.75 1j81 h LEU 51 N -1.04 0.41 -0.69 2.42 5.85 -1.99 -2.75 115.31 117.52 1j81 h LEU 51 Ca -0.46 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.03 1j81 h LEU 51 Cb 1.29 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1j81 h LEU 51 CO 0.46 0.56 -0.45 0.00 -0.34 0.00 0.00 178.44 178.66 1j81 h ALA 52 N 1.49 0.86 0.00 1.25 0.00 -1.98 -1.52 119.26 119.36 1j81 h ALA 52 Ca 0.08 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1j81 h ALA 52 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1j81 h ALA 52 CO 0.02 0.65 -0.52 -0.44 0.00 0.00 0.00 179.25 178.96 1j81 h ASP 53 N 0.39 0.00 0.63 0.00 3.32 -1.88 -1.65 116.42 117.23 1j81 h ASP 53 Ca 0.03 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.81 1j81 h ASP 53 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1j81 h ASP 53 CO 0.08 0.52 -1.20 0.58 -1.72 0.00 0.00 179.24 177.51 1j81 h VAL 54 N 0.00 1.50 0.00 -1.35 2.07 -1.26 -3.13 116.25 114.08 1j81 h VAL 54 Ca -0.01 -3.02 -0.04 0.00 0.82 0.00 0.00 66.70 64.45 1j81 h VAL 54 Cb 0.95 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 1j81 h VAL 54 CO 0.07 0.88 -0.19 1.56 0.02 0.00 0.00 177.57 179.91 1j81 h GLN 55 N 0.08 0.00 0.00 1.57 4.20 -1.14 -2.62 115.11 117.21 1j81 h GLN 55 Ca -0.12 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1j81 h GLN 55 Cb 1.92 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.69 1j81 h GLN 55 CO 0.20 0.19 -0.19 0.00 -0.67 0.00 0.00 178.83 178.36 1j81 h ALA 56 N 1.81 1.36 -0.08 3.87 0.00 -1.24 -2.76 119.26 122.21 1j81 h ALA 56 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1j81 h ALA 56 Cb 0.69 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1j81 h ALA 56 CO 0.03 0.23 0.09 0.28 0.00 0.00 0.00 179.25 179.88 1j81 h VAL 57 N 0.00 0.51 0.00 0.00 2.07 -1.55 -2.05 116.25 115.23 1j81 h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1j81 h VAL 57 Cb 0.42 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1j81 h VAL 57 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1j81 n SER 59 N -1.40 2.18 0.00 0.00 3.41 -0.77 -4.99 113.62 112.04 1j81 n SER 59 Ca 0.02 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 1j81 n SER 59 Cb 0.07 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1j81 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j81 n GLN 60 N -1.23 0.43 -2.24 4.33 6.02 -0.27 -4.99 117.38 119.44 1j81 n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 1j81 n GLN 60 Cb 0.58 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.82 1j81 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1j81 s LYS 61 N 4.14 3.49 -0.20 -1.09 2.47 -0.94 -4.87 119.74 122.73 1j81 s LYS 61 Ca 0.00 1.09 -0.29 0.00 -1.56 0.00 0.00 55.97 55.21 1j81 s LYS 61 Cb 0.00 -4.08 -0.00 0.00 -1.46 0.00 0.00 37.83 32.29 1j81 s LYS 61 CO 0.00 -1.67 1.14 1.21 0.16 0.00 0.00 175.35 176.19 1j81 s ASN 62 N 4.65 7.03 0.26 1.43 3.04 -1.26 0.88 114.94 130.96 1j81 s ASN 62 Ca 0.67 1.51 0.03 0.00 0.04 0.00 0.00 52.86 55.11 1j81 s ASN 62 Cb -0.16 -2.54 -0.01 0.00 -1.54 0.00 0.00 41.25 37.00 1j81 s ASN 62 CO 0.33 -0.72 0.10 1.33 -3.04 0.00 0.00 177.10 175.10 1j81 n VAL 63 N 5.36 0.00 -3.95 -5.21 0.24 0.11 -4.94 118.33 109.94 1j81 n VAL 63 Ca 0.13 -1.53 -0.36 0.00 -2.04 0.00 0.00 64.34 60.53 1j81 n VAL 63 Cb 0.45 0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 33.32 1j81 n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j81 s ALA 64 N -2.72 3.75 0.56 2.33 0.00 -1.26 -3.47 121.76 120.95 1j81 s ALA 64 Ca 0.14 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 1j81 s ALA 64 Cb 0.01 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 1j81 s ALA 64 CO 0.10 0.56 1.10 0.00 0.00 0.00 0.00 175.76 177.51 1j81 h LYS 66 N 0.92 0.00 0.00 0.00 2.10 -1.93 0.51 116.57 118.17 1j81 h LYS 66 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1j81 h LYS 66 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1j81 h LYS 66 CO 0.57 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.29 1j81 n ASN 67 N -4.06 0.00 0.00 7.07 6.94 -1.26 -4.86 115.26 119.09 1j81 n ASN 67 Ca 0.11 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.74 1j81 n ASN 67 Cb 0.69 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 1j81 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1j81 n GLY 68 N 0.55 2.90 3.56 4.83 0.00 0.18 -5.08 105.19 112.13 1j81 n GLY 68 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1j81 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j81 s GLN 69 N -0.49 -0.17 -0.11 1.61 -1.52 -1.25 -4.60 119.66 113.13 1j81 s GLN 69 Ca 0.00 1.19 0.17 0.00 -1.95 0.00 0.00 55.36 54.77 1j81 s GLN 69 Cb 0.00 -1.61 0.40 0.00 -0.22 0.00 0.00 33.01 31.58 1j81 s GLN 69 CO 0.00 -3.33 1.19 0.25 -0.25 0.00 0.00 175.29 173.15 1j81 n THR 70 N -4.68 1.18 -1.81 -0.19 -2.24 -1.26 0.71 114.28 105.99 1j81 n THR 70 Ca 0.07 -2.13 -0.34 0.00 -2.27 0.00 0.00 64.05 59.38 1j81 n THR 70 Cb 0.53 0.31 0.05 0.00 -2.10 0.00 0.00 70.33 69.12 1j81 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1j81 n ASN 71 N -0.41 6.86 -4.40 3.42 6.94 -1.26 -4.75 115.26 121.66 1j81 n ASN 71 Ca 0.13 -3.79 -0.29 0.00 -0.02 0.00 0.00 54.58 50.60 1j81 n ASN 71 Cb 0.88 -0.86 -0.13 0.00 -2.36 0.00 0.00 39.78 37.31 1j81 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1j81 s TYR 73 N -1.02 0.39 -0.10 0.00 2.02 -0.58 -0.71 117.35 117.36 1j81 s TYR 73 Ca 0.14 -0.06 -0.10 0.00 -0.37 0.00 0.00 57.07 56.68 1j81 s TYR 73 Cb -0.10 -0.33 -0.05 0.00 -0.40 0.00 0.00 41.96 41.08 1j81 s TYR 73 CO 0.06 -0.06 0.22 -1.14 -1.57 0.00 0.00 175.55 173.06 1j81 s GLN 74 N 0.32 3.65 0.19 -0.62 0.74 0.25 -2.31 119.66 121.88 1j81 s GLN 74 Ca -0.03 0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.10 1j81 s GLN 74 Cb -0.06 -3.22 -0.08 0.00 1.10 0.00 0.00 33.01 30.74 1j81 s GLN 74 CO -0.01 0.70 1.16 -1.54 -0.55 0.00 0.00 175.29 175.05 1j81 s SER 75 N -0.89 7.16 0.22 6.67 1.04 -0.61 -2.22 113.70 125.07 1j81 s SER 75 Ca 0.17 2.18 -0.08 0.00 0.48 0.00 0.00 55.95 58.70 1j81 s SER 75 Cb -0.13 -2.61 0.32 0.00 0.10 0.00 0.00 66.02 63.70 1j81 s SER 75 CO 0.06 -0.30 1.76 1.88 0.98 0.00 0.00 173.24 177.62 1j81 h TYR 76 N 5.11 0.52 -1.66 5.02 0.05 -1.96 -3.44 116.97 120.61 1j81 h TYR 76 Ca -0.45 0.03 -0.51 0.00 0.05 0.00 0.00 58.73 57.85 1j81 h TYR 76 Cb 1.21 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 38.77 1j81 h TYR 76 CO 0.62 0.16 -0.43 -1.54 -1.05 0.00 0.00 178.16 175.92 1j81 s SER 77 N -5.44 4.98 0.38 3.88 1.04 -1.26 -5.06 113.70 112.22 1j81 s SER 77 Ca -0.13 -0.73 -0.15 0.00 0.48 0.00 0.00 55.95 55.43 1j81 s SER 77 Cb 0.18 -0.68 -0.08 0.00 0.10 0.00 0.00 66.02 65.53 1j81 s SER 77 CO 0.75 -0.51 0.81 0.42 0.98 0.00 0.00 173.24 175.69 1j81 s THR 78 N -2.44 4.65 0.14 2.02 -4.23 -1.26 -4.40 115.64 110.13 1j81 s THR 78 Ca 0.44 0.96 0.06 0.00 -1.18 0.00 0.00 61.69 61.97 1j81 s THR 78 Cb -0.03 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1j81 s THR 78 CO 0.26 -0.36 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.80 1j81 s MET 79 N -3.39 1.11 0.07 3.99 -1.94 0.90 -4.79 119.30 115.24 1j81 s MET 79 Ca 0.55 -1.35 -0.30 0.00 -1.71 0.00 0.00 55.69 52.88 1j81 s MET 79 Cb -0.10 -0.96 -0.05 0.00 2.01 0.00 0.00 34.83 35.73 1j81 s MET 79 CO 0.22 0.18 1.13 0.45 -0.01 0.00 0.00 175.02 176.99 1j81 s SER 80 N -2.71 7.17 0.05 3.03 0.15 -1.26 -1.39 113.70 118.74 1j81 s SER 80 Ca 0.13 1.95 -0.10 0.00 0.70 0.00 0.00 55.95 58.62 1j81 s SER 80 Cb -0.03 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.70 1j81 s SER 80 CO 0.04 -0.38 0.22 0.27 1.20 0.00 0.00 173.24 174.59 1j81 s ILE 81 N 0.84 0.11 -0.15 6.45 -5.25 0.57 -0.76 121.20 123.02 1j81 s ILE 81 Ca 0.56 -0.90 0.01 0.00 -0.99 0.00 0.00 60.65 59.32 1j81 s ILE 81 Cb -0.28 -1.03 0.02 0.00 2.95 0.00 0.00 42.46 44.13 1j81 s ILE 81 CO 0.30 -0.50 -0.17 -0.89 -1.79 0.00 0.00 174.94 171.89 1j81 s THR 82 N -2.91 1.75 -0.15 8.37 2.01 -0.36 -0.67 115.64 123.67 1j81 s THR 82 Ca -0.02 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.04 1j81 s THR 82 Cb 0.01 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1j81 s THR 82 CO -0.06 0.49 0.47 -0.62 -0.69 0.00 0.00 174.62 174.22 1j81 s ASP 83 N 1.23 6.61 -0.26 3.53 -1.08 0.29 -1.53 116.67 125.46 1j81 s ASP 83 Ca 0.01 0.73 -0.03 0.00 -0.52 0.00 0.00 52.55 52.74 1j81 s ASP 83 Cb -0.14 -2.28 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 1j81 s ASP 83 CO -0.08 -0.06 -0.03 0.00 0.52 0.00 0.00 175.17 175.52 1j81 s ARG 85 N 1.36 2.62 0.36 0.00 3.52 -0.79 -1.67 118.95 124.35 1j81 s ARG 85 Ca 0.01 -0.74 -0.28 0.00 -0.13 0.00 0.00 55.73 54.58 1j81 s ARG 85 Cb -0.17 -2.02 -0.10 0.00 -1.56 0.00 0.00 34.95 31.10 1j81 s ARG 85 CO -0.03 0.14 1.38 -2.00 -0.81 0.00 0.00 175.30 173.99 1j81 s GLU 86 N 0.42 4.21 0.85 5.12 2.12 -0.42 0.77 118.70 131.77 1j81 s GLU 86 Ca -0.17 2.37 -0.12 0.00 0.36 0.00 0.00 54.97 57.41 1j81 s GLU 86 Cb -0.17 -3.00 0.10 0.00 0.26 0.00 0.00 34.13 31.32 1j81 s GLU 86 CO 0.07 -0.37 1.13 0.95 -0.54 0.00 0.00 175.26 176.51 1j81 s THR 87 N -1.14 2.37 -0.83 -1.70 -4.23 -0.30 -4.80 115.64 105.01 1j81 s THR 87 Ca 0.51 0.12 0.20 0.00 -1.18 0.00 0.00 61.69 61.34 1j81 s THR 87 Cb -0.43 -2.92 0.19 0.00 1.34 0.00 0.00 72.50 70.68 1j81 s THR 87 CO 0.57 -0.16 1.62 0.61 -0.54 0.00 0.00 174.62 176.72 1j81 n GLY 88 N -2.39 -1.20 0.09 3.99 0.00 -1.26 -3.16 105.19 101.27 1j81 n GLY 88 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1j81 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j81 n SER 89 N -1.77 0.80 -4.52 1.61 3.41 -1.26 -4.99 113.62 106.90 1j81 n SER 89 Ca 0.04 0.27 -0.55 0.00 -0.26 0.00 0.00 58.87 58.36 1j81 n SER 89 Cb 0.23 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 1j81 n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1j81 n SER 90 N -3.01 0.37 -3.71 4.04 2.88 -1.19 -4.99 113.62 108.01 1j81 n SER 90 Ca -0.23 1.15 -0.11 0.00 -1.33 0.00 0.00 58.87 58.34 1j81 n SER 90 Cb 1.08 -1.02 -0.11 0.00 -0.75 0.00 0.00 64.21 63.41 1j81 n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1j81 s LYS 91 N -0.05 0.41 0.36 -1.46 2.36 -1.07 -4.91 119.74 115.38 1j81 s LYS 91 Ca 0.85 0.69 -0.28 0.00 -2.55 0.00 0.00 55.97 54.68 1j81 s LYS 91 Cb -1.12 0.06 -0.11 0.00 -1.05 0.00 0.00 37.83 35.61 1j81 s LYS 91 CO 0.54 -0.12 1.47 0.98 1.55 0.00 0.00 175.35 179.77 1j81 n TYR 92 N 3.78 2.85 0.87 4.03 9.36 -1.26 0.00 117.16 136.80 1j81 n TYR 92 Ca -0.20 0.44 0.14 0.00 3.32 0.00 0.00 57.90 61.60 1j81 n TYR 92 Cb 0.56 -2.52 0.54 0.00 -0.63 0.00 0.00 39.34 37.28 1j81 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1j81 n PRO 93 N 0.69 0.09 -2.42 2.98 -0.04 -1.26 -4.98 135.00 130.06 1j81 n PRO 93 Ca 0.03 0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 1j81 n PRO 93 Cb 0.38 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1j81 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1j81 n ASN 94 N -1.76 4.81 -4.77 3.54 3.02 0.10 -4.99 115.26 115.22 1j81 n ASN 94 Ca 0.06 -2.97 -0.38 0.00 -0.03 0.00 0.00 54.58 51.26 1j81 n ASN 94 Cb 0.37 -1.61 -0.04 0.00 -0.61 0.00 0.00 39.78 37.89 1j81 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j81 s ALA 96 N -1.43 0.72 0.17 0.00 0.00 -1.26 -4.95 121.76 115.01 1j81 s ALA 96 Ca 0.52 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.46 1j81 s ALA 96 Cb -0.27 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1j81 s ALA 96 CO 0.34 0.04 -0.22 0.71 0.00 0.00 0.00 175.76 176.62 1j81 s TYR 97 N 0.69 2.10 -0.19 0.00 2.02 -1.26 -1.15 117.35 119.56 1j81 s TYR 97 Ca -0.10 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.14 1j81 s TYR 97 Cb -0.13 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1j81 s TYR 97 CO 0.01 0.40 0.03 0.21 -1.57 0.00 0.00 175.55 174.63 1j81 s LYS 98 N -2.56 3.79 -0.25 -0.62 2.20 0.23 -4.85 119.74 117.68 1j81 s LYS 98 Ca 0.17 -0.44 -0.11 0.00 -0.36 0.00 0.00 55.97 55.23 1j81 s LYS 98 Cb -0.08 -3.13 -0.05 0.00 -1.51 0.00 0.00 37.83 33.06 1j81 s LYS 98 CO 0.08 0.15 0.19 0.99 -0.36 0.00 0.00 175.35 176.40 1j81 s THR 99 N 0.66 5.33 -0.27 3.43 2.01 -1.26 -1.88 115.64 123.66 1j81 s THR 99 Ca 0.01 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1j81 s THR 99 Cb -0.14 -3.53 0.08 0.00 0.01 0.00 0.00 72.50 68.92 1j81 s THR 99 CO 0.02 0.31 0.05 -0.89 -0.69 0.00 0.00 174.62 173.43 1j81 s THR 100 N 1.25 1.01 0.35 -0.82 2.01 -0.54 -4.99 115.64 113.91 1j81 s THR 100 Ca 0.09 -1.24 -0.20 0.00 0.31 0.00 0.00 61.69 60.64 1j81 s THR 100 Cb -0.14 -1.62 -0.10 0.00 0.01 0.00 0.00 72.50 70.65 1j81 s THR 100 CO 0.06 -0.46 0.85 -1.58 -0.69 0.00 0.00 174.62 172.80 1j81 s GLN 101 N 1.58 4.23 0.14 4.92 2.00 -1.26 -0.54 119.66 130.72 1j81 s GLN 101 Ca 0.05 0.98 -0.25 0.00 -2.00 0.00 0.00 55.36 54.14 1j81 s GLN 101 Cb -0.18 -2.47 0.08 0.00 0.80 0.00 0.00 33.01 31.24 1j81 s GLN 101 CO -0.17 0.14 1.03 0.00 -0.50 0.00 0.00 175.29 175.80 1j81 s ALA 102 N -1.93 -1.73 -0.19 1.58 0.00 0.15 -4.95 121.76 114.69 1j81 s ALA 102 Ca 0.55 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1j81 s ALA 102 Cb -0.12 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.67 1j81 s ALA 102 CO 0.17 -1.05 -0.10 -0.80 0.00 0.00 0.00 175.76 173.98 1j81 s ASN 103 N -3.08 3.32 0.16 0.00 0.01 -1.26 -0.31 114.94 113.78 1j81 s ASN 103 Ca 0.15 -0.85 -0.08 0.00 -0.71 0.00 0.00 52.86 51.37 1j81 s ASN 103 Cb -0.01 -1.21 -0.01 0.00 0.41 0.00 0.00 41.25 40.43 1j81 s ASN 103 CO 0.02 -0.14 0.27 -0.54 -1.51 0.00 0.00 177.10 175.20 1j81 s LYS 104 N 1.42 1.15 0.14 -0.60 1.02 -0.49 -4.76 119.74 117.61 1j81 s LYS 104 Ca -0.01 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.48 1j81 s LYS 104 Cb -0.16 0.37 -0.07 0.00 -0.52 0.00 0.00 37.83 37.45 1j81 s LYS 104 CO -0.08 -0.42 1.11 -1.01 -0.92 0.00 0.00 175.35 174.03 1j81 s HIS 105 N -3.98 3.57 0.12 3.18 3.76 -1.26 -0.07 115.29 120.61 1j81 s HIS 105 Ca 0.18 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.66 1j81 s HIS 105 Cb 0.04 -3.29 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 1j81 s HIS 105 CO 0.00 -0.67 0.23 0.96 -0.85 0.00 0.00 174.74 174.41 1j81 s ILE 106 N 0.14 5.19 -0.13 0.60 -4.36 -1.26 -0.38 121.20 121.00 1j81 s ILE 106 Ca 0.51 -0.64 -0.00 0.00 -0.26 0.00 0.00 60.65 60.27 1j81 s ILE 106 Cb -0.29 -3.61 0.03 0.00 1.25 0.00 0.00 42.46 39.84 1j81 s ILE 106 CO 0.33 0.00 -0.09 -0.63 0.24 0.00 0.00 174.94 174.79 1j81 s ILE 107 N -1.64 1.20 0.13 8.37 1.01 -0.32 -1.57 121.20 128.39 1j81 s ILE 107 Ca 0.34 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1j81 s ILE 107 Cb -0.12 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1j81 s ILE 107 CO 0.27 0.36 -0.18 0.68 0.00 0.00 0.00 174.94 176.07 1j81 s VAL 108 N 1.63 1.59 -0.21 2.92 -7.23 -0.98 -0.27 120.40 117.86 1j81 s VAL 108 Ca 0.04 -1.69 -0.14 0.00 -1.81 0.00 0.00 61.98 58.38 1j81 s VAL 108 Cb -0.13 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1j81 s VAL 108 CO -0.09 -0.26 0.30 0.00 -0.31 0.00 0.00 175.10 174.75 1j81 s ALA 109 N -1.73 3.58 0.09 1.32 0.00 -0.47 -1.53 121.76 123.01 1j81 s ALA 109 Ca 0.09 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1j81 s ALA 109 Cb -0.07 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1j81 s ALA 109 CO 0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 175.76 175.54 1j81 s GLU 111 N -2.14 0.87 0.08 0.00 -1.05 -0.93 -4.88 118.70 110.64 1j81 s GLU 111 Ca 0.22 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.63 1j81 s GLU 111 Cb -0.11 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1j81 s GLU 111 CO 0.15 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.38 1j81 n GLY 112 N -0.35 -3.14 2.71 -3.83 0.00 -1.26 -3.19 105.19 96.11 1j81 n GLY 112 Ca -0.07 -1.96 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 1j81 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j81 s ASN 113 N -1.75 1.67 1.10 1.61 2.47 -1.26 -3.30 114.94 115.48 1j81 s ASN 113 Ca 0.00 -0.31 -0.12 0.00 0.42 0.00 0.00 52.86 52.85 1j81 s ASN 113 Cb 0.00 0.13 0.24 0.00 -1.45 0.00 0.00 41.25 40.17 1j81 s ASN 113 CO 0.00 -0.33 1.00 -0.81 -3.72 0.00 0.00 177.10 173.25 1j81 n PRO 114 N 5.30 -1.84 -2.80 0.43 -0.04 -1.26 -5.08 135.00 129.72 1j81 n PRO 114 Ca -0.06 -0.50 -0.43 0.00 -0.04 0.00 0.00 63.50 62.48 1j81 n PRO 114 Cb 0.49 -2.21 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 1j81 n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1j81 s TYR 115 N -2.46 2.69 0.22 0.54 5.04 -1.21 -4.87 117.35 117.29 1j81 s TYR 115 Ca 0.67 -0.15 0.05 0.00 -2.44 0.00 0.00 57.07 55.20 1j81 s TYR 115 Cb -0.24 -4.22 -0.05 0.00 0.35 0.00 0.00 41.96 37.79 1j81 s TYR 115 CO 0.63 -1.53 -0.06 0.14 -1.34 0.00 0.00 175.55 173.38 1j81 s VAL 116 N 4.24 1.34 0.27 3.14 -7.23 -1.19 -4.83 120.40 116.14 1j81 s VAL 116 Ca 0.29 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 1j81 s VAL 116 Cb -0.13 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 1j81 s VAL 116 CO 0.16 -0.46 1.33 -2.84 -0.31 0.00 0.00 175.10 172.98 1j81 s PRO 117 N -3.76 4.36 0.00 4.82 0.02 -1.26 -2.20 135.00 136.98 1j81 s PRO 117 Ca 0.25 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1j81 s PRO 117 Cb 0.03 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1j81 s PRO 117 CO 0.07 -0.24 0.00 1.33 -0.33 0.00 0.00 177.00 177.83 1j81 n VAL 118 N 1.66 0.00 -3.91 3.83 0.24 -0.07 -4.93 118.33 115.15 1j81 n VAL 118 Ca 0.03 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.22 1j81 n VAL 118 Cb 0.42 0.43 -0.11 0.00 -1.47 0.00 0.00 33.84 33.11 1j81 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1j81 s HIS 119 N -1.69 0.11 -0.22 6.34 3.76 -1.17 -5.00 115.29 117.41 1j81 s HIS 119 Ca 0.00 -0.24 -0.10 0.00 -0.15 0.00 0.00 55.06 54.57 1j81 s HIS 119 Cb 0.00 -0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.55 1j81 s HIS 119 CO 0.00 -0.23 0.13 0.12 -0.85 0.00 0.00 174.74 173.92 1j81 s PHE 120 N -1.26 3.31 -0.26 1.40 2.19 -1.26 -1.37 117.98 120.72 1j81 s PHE 120 Ca -0.14 0.18 -0.06 0.00 0.33 0.00 0.00 56.93 57.25 1j81 s PHE 120 Cb -0.08 -2.22 -0.16 0.00 -1.31 0.00 0.00 43.02 39.26 1j81 s PHE 120 CO 0.00 0.10 -0.22 -3.47 1.83 0.00 0.00 175.22 173.46 1j81 n ASP 121 N 4.06 1.98 -2.69 6.13 2.03 0.63 -4.94 116.55 123.75 1j81 n ASP 121 Ca -0.15 0.09 0.01 0.00 0.52 0.00 0.00 54.79 55.25 1j81 n ASP 121 Cb 0.52 -0.62 0.01 0.00 -0.72 0.00 0.00 41.12 40.31 1j81 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j81 n ALA 122 N -3.61 -2.14 -3.66 -1.67 0.00 -1.09 -4.97 120.51 103.38 1j81 n ALA 122 Ca -0.48 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.33 1j81 n ALA 122 Cb 0.94 0.14 -0.12 0.00 0.00 0.00 0.00 19.45 20.41 1j81 n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j81 s SER 123 N -2.71 0.09 0.00 0.00 1.04 -1.26 -1.17 113.70 109.69 1j81 s SER 123 Ca 0.18 0.76 0.19 0.00 0.48 0.00 0.00 55.95 57.56 1j81 s SER 123 Cb -0.01 0.97 0.15 0.00 0.10 0.00 0.00 66.02 67.23 1j81 s SER 123 CO 0.00 -0.24 1.09 1.33 0.98 0.00 0.00 173.24 176.41