#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j84 s PRO 28 N 0.00 3.60 -0.05 2.61 0.04 -1.26 -4.96 135.00 134.98 1j84 s PRO 28 Ca 0.00 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.70 1j84 s PRO 28 Cb 0.00 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 1j84 s PRO 28 CO 0.00 -0.65 -0.16 0.95 0.04 0.00 0.00 177.00 177.18 1j84 s THR 29 N -1.72 1.39 0.73 1.26 -4.23 -1.26 -4.98 115.64 106.83 1j84 s THR 29 Ca 0.68 -0.68 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1j84 s THR 29 Cb -0.24 -1.20 0.04 0.00 1.34 0.00 0.00 72.50 72.43 1j84 s THR 29 CO 0.28 0.40 1.21 0.00 -0.54 0.00 0.00 174.62 175.97 1j84 s ALA 30 N 0.14 2.13 0.47 3.99 0.00 -1.26 -0.83 121.76 126.40 1j84 s ALA 30 Ca -0.06 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 1j84 s ALA 30 Cb -0.12 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1j84 s ALA 30 CO 0.03 -1.87 1.17 -1.25 0.00 0.00 0.00 175.76 173.84 1j84 s PRO 31 N -3.91 3.68 -0.18 0.00 0.04 -1.26 -4.58 135.00 128.80 1j84 s PRO 31 Ca 0.74 1.79 0.14 0.00 0.04 0.00 0.00 61.00 63.71 1j84 s PRO 31 Cb -0.29 -2.36 -0.23 0.00 0.04 0.00 0.00 34.50 31.65 1j84 s PRO 31 CO 0.45 -0.62 0.14 1.63 0.04 0.00 0.00 177.00 178.64 1j84 n LYS 32 N -0.60 0.68 -3.47 4.56 5.02 -1.26 -4.90 118.16 118.20 1j84 n LYS 32 Ca 0.08 0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 1j84 n LYS 32 Cb 0.48 -1.58 -0.11 0.00 -0.02 0.00 0.00 35.03 33.80 1j84 n LYS 32 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1j84 s ASP 33 N -5.82 0.85 -0.20 4.39 2.15 -1.26 -4.99 116.67 111.79 1j84 s ASP 33 Ca -0.13 0.04 0.14 0.00 0.43 0.00 0.00 52.55 53.03 1j84 s ASP 33 Cb 0.07 0.68 0.41 0.00 -0.30 0.00 0.00 42.92 43.78 1j84 s ASP 33 CO 0.79 -0.31 1.27 0.33 -0.17 0.00 0.00 175.17 177.09 1j84 n PHE 34 N 5.34 0.33 0.19 -5.34 7.35 -1.26 -4.76 117.46 119.30 1j84 n PHE 34 Ca -0.05 -1.29 0.11 0.00 -0.76 0.00 0.00 57.45 55.46 1j84 n PHE 34 Cb 0.50 -0.28 0.56 0.00 0.35 0.00 0.00 39.48 40.61 1j84 n PHE 34 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1j84 n SER 35 N -1.15 0.56 0.15 -2.13 3.41 -1.26 -1.57 113.62 111.63 1j84 n SER 35 Ca 0.21 0.74 0.13 0.00 -0.26 0.00 0.00 58.87 59.70 1j84 n SER 35 Cb 0.77 -0.82 0.36 0.00 -0.26 0.00 0.00 64.21 64.26 1j84 n SER 35 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1j84 h SER 36 N 0.00 0.00 0.00 4.04 4.64 -2.04 -3.47 113.55 116.72 1j84 h SER 36 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j84 h SER 36 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1j84 h SER 36 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1j84 n GLY 37 N 1.06 0.75 3.67 -0.77 0.00 -0.61 -5.02 105.19 104.28 1j84 n GLY 37 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1j84 n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j84 s PHE 38 N -2.62 0.10 -0.66 1.61 -0.12 -1.26 -4.90 117.98 110.13 1j84 s PHE 38 Ca 0.00 -0.50 -0.27 0.00 -0.05 0.00 0.00 56.93 56.12 1j84 s PHE 38 Cb 0.00 0.40 0.01 0.00 -0.63 0.00 0.00 43.02 42.79 1j84 s PHE 38 CO 0.00 -1.06 1.51 -1.58 -0.05 0.00 0.00 175.22 174.04 1j84 s TRP 39 N -3.96 2.05 -1.17 3.49 0.51 -0.86 -4.78 118.94 114.22 1j84 s TRP 39 Ca 0.17 0.34 0.13 0.00 -2.12 0.00 0.00 56.10 54.62 1j84 s TRP 39 Cb -0.02 -4.40 -0.02 0.00 -0.81 0.00 0.00 33.47 28.22 1j84 s TRP 39 CO 0.06 -2.15 0.74 -0.40 -0.51 0.00 0.00 176.95 174.69 1j84 n ASP 40 N 10.64 1.37 -2.32 2.95 5.68 -1.26 -1.86 116.55 131.74 1j84 n ASP 40 Ca 0.11 -1.18 -0.07 0.00 -0.50 0.00 0.00 54.79 53.14 1j84 n ASP 40 Cb 0.50 0.52 -0.01 0.00 -1.14 0.00 0.00 41.12 40.99 1j84 n ASP 40 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1j84 n PHE 41 N -0.29 -1.55 0.72 2.11 3.01 -1.26 -4.63 117.46 115.58 1j84 n PHE 41 Ca 0.05 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.59 1j84 n PHE 41 Cb 0.28 -1.99 0.22 0.00 -0.01 0.00 0.00 39.48 37.98 1j84 n PHE 41 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1j84 n ASN 42 N -1.46 2.24 -1.11 4.37 3.02 -1.26 -3.63 115.26 117.43 1j84 n ASN 42 Ca -0.08 -1.95 0.08 0.00 -0.03 0.00 0.00 54.58 52.60 1j84 n ASN 42 Cb 0.53 -0.25 0.27 0.00 -0.61 0.00 0.00 39.78 39.71 1j84 n ASN 42 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1j84 n ASP 43 N 0.72 3.92 0.00 6.41 5.68 -1.26 -4.95 116.55 127.06 1j84 n ASP 43 Ca 0.15 -2.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.05 1j84 n ASP 43 Cb 0.37 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1j84 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j84 n GLY 44 N 0.62 0.45 3.79 6.12 0.00 -1.25 -4.76 105.19 110.16 1j84 n GLY 44 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1j84 n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j84 s THR 45 N -2.07 2.01 -1.67 2.61 -4.23 -1.26 -4.75 115.64 106.28 1j84 s THR 45 Ca 0.00 -1.67 0.12 0.00 -1.18 0.00 0.00 61.69 58.96 1j84 s THR 45 Cb 0.00 -2.68 0.39 0.00 1.34 0.00 0.00 72.50 71.56 1j84 s THR 45 CO 0.00 0.00 1.29 0.35 -0.54 0.00 0.00 174.62 175.72 1j84 n THR 46 N -1.38 0.80 -4.33 3.99 -2.24 -1.19 -4.63 114.28 105.29 1j84 n THR 46 Ca -0.03 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 60.78 1j84 n THR 46 Cb 0.65 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 1j84 n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j84 n GLN 47 N 0.64 -1.53 0.00 -0.78 6.02 -0.99 -0.30 117.38 120.44 1j84 n GLN 47 Ca 0.14 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1j84 n GLN 47 Cb 0.46 -4.34 0.00 0.00 1.02 0.00 0.00 30.24 27.38 1j84 n GLN 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j84 n GLY 48 N -1.80 1.49 3.77 1.08 0.00 -0.01 -4.59 105.19 105.14 1j84 n GLY 48 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1j84 n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j84 s PHE 49 N -2.33 3.70 0.07 1.61 0.40 0.59 -1.70 117.98 120.33 1j84 s PHE 49 Ca 0.00 1.79 -0.28 0.00 -0.60 0.00 0.00 56.93 57.85 1j84 s PHE 49 Cb 0.00 -2.97 0.09 0.00 0.51 0.00 0.00 43.02 40.65 1j84 s PHE 49 CO 0.00 0.15 1.13 0.20 0.70 0.00 0.00 175.22 177.40 1j84 s GLY 50 N -1.50 -0.31 0.32 4.36 0.00 -0.52 -4.40 107.32 105.27 1j84 s GLY 50 Ca 0.49 0.39 -0.29 0.00 0.00 0.00 0.00 44.72 45.31 1j84 s GLY 50 CO 0.26 0.19 1.41 -0.62 0.00 0.00 0.00 173.10 174.35 1j84 n VAL 51 N -0.49 1.59 -2.85 1.40 0.31 -1.26 -0.54 118.33 116.48 1j84 n VAL 51 Ca -0.07 -0.40 -0.40 0.00 -0.01 0.00 0.00 64.34 63.46 1j84 n VAL 51 Cb 0.62 -1.70 -0.06 0.00 -0.91 0.00 0.00 33.84 31.79 1j84 n VAL 51 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1j84 s ASN 52 N 0.00 7.49 0.41 4.52 2.47 0.14 -4.68 114.94 125.29 1j84 s ASN 52 Ca 0.59 1.77 0.18 0.00 0.42 0.00 0.00 52.86 55.82 1j84 s ASN 52 Cb -0.55 -2.55 1.08 0.00 -1.45 0.00 0.00 41.25 37.77 1j84 s ASN 52 CO 0.57 0.13 1.82 -0.65 -3.72 0.00 0.00 177.10 175.25 1j84 h PRO 53 N 4.59 0.41 -0.51 0.43 0.11 -1.92 -0.29 132.00 134.82 1j84 h PRO 53 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1j84 h PRO 53 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j84 h PRO 53 CO 0.68 0.27 0.00 -0.25 -0.21 0.00 0.00 178.00 178.49 1j84 n ASP 54 N -4.56 2.58 -4.76 -2.05 8.00 -1.26 -4.93 116.55 109.58 1j84 n ASP 54 Ca 0.22 -2.14 -0.41 0.00 0.71 0.00 0.00 54.79 53.17 1j84 n ASP 54 Cb 0.77 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1j84 n ASP 54 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1j84 s SER 55 N -0.84 6.97 0.30 -2.24 0.15 -0.12 -4.90 113.70 113.02 1j84 s SER 55 Ca 0.28 2.46 0.26 0.00 0.70 0.00 0.00 55.95 59.65 1j84 s SER 55 Cb 0.17 -2.63 0.89 0.00 -1.71 0.00 0.00 66.02 62.74 1j84 s SER 55 CO 0.16 -0.40 1.76 1.55 1.20 0.00 0.00 173.24 177.50 1j84 h PRO 56 N 4.16 0.00 -5.75 5.44 0.13 -1.88 -3.43 132.00 130.67 1j84 h PRO 56 Ca -0.47 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.06 1j84 h PRO 56 Cb 1.22 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.04 1j84 h PRO 56 CO 0.70 0.00 -0.85 0.42 -0.23 0.00 0.00 178.00 178.03 1j84 s ILE 57 N -3.27 1.63 0.00 -3.56 1.01 -1.26 -5.04 121.20 110.72 1j84 s ILE 57 Ca 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1j84 s ILE 57 Cb 0.10 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.19 1j84 s ILE 57 CO 0.52 0.46 0.00 0.35 0.00 0.00 0.00 174.94 176.28 1j84 n THR 58 N 2.86 0.00 -0.59 2.92 -2.24 -1.26 -4.63 114.28 111.34 1j84 n THR 58 Ca -0.17 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 1j84 n THR 58 Cb 0.53 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1j84 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j84 n ALA 59 N -1.24 4.37 -2.99 6.98 0.00 -1.26 -4.78 120.51 121.59 1j84 n ALA 59 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 53.44 52.42 1j84 n ALA 59 Cb 0.16 -1.71 -0.13 0.00 0.00 0.00 0.00 19.45 17.77 1j84 n ALA 59 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j84 s ILE 60 N 0.85 3.69 -0.02 0.00 -1.09 -1.26 -4.91 121.20 118.45 1j84 s ILE 60 Ca 0.25 -0.43 -0.25 0.00 -2.23 0.00 0.00 60.65 57.99 1j84 s ILE 60 Cb 0.12 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 1j84 s ILE 60 CO 0.00 0.50 0.77 0.21 -1.23 0.00 0.00 174.94 175.19 1j84 s ASN 61 N 0.37 7.12 -0.22 3.58 2.47 -1.09 -4.91 114.94 122.28 1j84 s ASN 61 Ca -0.06 1.35 0.00 0.00 0.42 0.00 0.00 52.86 54.58 1j84 s ASN 61 Cb -0.15 -2.46 0.06 0.00 -1.45 0.00 0.00 41.25 37.25 1j84 s ASN 61 CO 0.04 -0.11 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.57 1j84 s VAL 62 N 0.61 1.33 0.29 -5.21 1.01 -1.26 -1.51 120.40 115.66 1j84 s VAL 62 Ca 0.41 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1j84 s VAL 62 Cb -0.19 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1j84 s VAL 62 CO 0.21 -0.07 0.39 -1.83 0.00 0.00 0.00 175.10 173.80 1j84 s GLU 63 N 1.50 1.66 -0.20 2.72 -1.05 -0.75 -4.78 118.70 117.79 1j84 s GLU 63 Ca -0.04 -1.63 -0.10 0.00 -0.15 0.00 0.00 54.97 53.06 1j84 s GLU 63 Cb -0.18 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1j84 s GLU 63 CO -0.07 -0.66 0.12 1.21 0.95 0.00 0.00 175.26 176.82 1j84 s ASN 64 N -3.18 6.10 -0.16 0.83 3.84 -1.26 0.39 114.94 121.51 1j84 s ASN 64 Ca 0.31 0.18 -0.09 0.00 0.21 0.00 0.00 52.86 53.48 1j84 s ASN 64 Cb 0.01 -2.07 0.05 0.00 -0.55 0.00 0.00 41.25 38.70 1j84 s ASN 64 CO 0.16 0.16 0.38 0.00 -2.79 0.00 0.00 177.10 175.01 1j84 s ALA 65 N 0.48 -0.96 -1.46 1.71 0.00 -0.51 -4.89 121.76 116.14 1j84 s ALA 65 Ca 0.07 1.40 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 1j84 s ALA 65 Cb -0.12 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.20 1j84 s ALA 65 CO -0.01 -0.25 0.91 0.09 0.00 0.00 0.00 175.76 176.50 1j84 n ASN 66 N 4.11 -5.41 -3.56 0.00 3.02 -1.26 -1.74 115.26 110.42 1j84 n ASN 66 Ca -0.23 -0.56 -0.22 0.00 -0.03 0.00 0.00 54.58 53.54 1j84 n ASN 66 Cb 0.55 -4.32 0.08 0.00 -0.61 0.00 0.00 39.78 35.48 1j84 n ASN 66 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1j84 n ASN 67 N -2.75 -4.49 -3.78 6.41 3.02 -1.26 -4.99 115.26 107.41 1j84 n ASN 67 Ca -0.00 -0.59 -0.10 0.00 -0.03 0.00 0.00 54.58 53.86 1j84 n ASN 67 Cb 0.56 -4.98 -0.04 0.00 -0.61 0.00 0.00 39.78 34.71 1j84 n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j84 s ALA 68 N -3.35 -0.22 -0.49 5.41 0.00 -0.71 -4.45 121.76 117.96 1j84 s ALA 68 Ca 0.35 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 1j84 s ALA 68 Cb -0.16 1.03 0.06 0.00 0.00 0.00 0.00 23.12 24.05 1j84 s ALA 68 CO 0.74 -0.87 0.53 -1.17 0.00 0.00 0.00 175.76 174.99 1j84 s LEU 69 N -3.05 5.18 -0.28 0.00 2.96 0.27 -1.42 118.68 122.35 1j84 s LEU 69 Ca 0.22 -1.03 -0.20 0.00 -0.22 0.00 0.00 54.13 52.90 1j84 s LEU 69 Cb -0.01 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 1j84 s LEU 69 CO 0.11 -0.78 0.62 -0.75 -1.32 0.00 0.00 176.35 174.22 1j84 s LYS 70 N 2.25 4.01 -0.36 1.98 2.20 0.16 -0.39 119.74 129.59 1j84 s LYS 70 Ca 0.11 0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 56.08 1j84 s LYS 70 Cb -0.21 -3.69 0.07 0.00 -1.51 0.00 0.00 37.83 32.50 1j84 s LYS 70 CO 0.10 -0.48 0.12 0.42 -0.36 0.00 0.00 175.35 175.16 1j84 s ILE 71 N 2.53 3.46 0.18 5.43 1.01 -0.47 -1.81 121.20 131.53 1j84 s ILE 71 Ca 0.25 -1.52 0.04 0.00 0.00 0.00 0.00 60.65 59.42 1j84 s ILE 71 Cb -0.15 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1j84 s ILE 71 CO 0.10 -0.36 0.25 -0.44 0.00 0.00 0.00 174.94 174.50 1j84 s SER 72 N 1.59 6.06 -1.37 3.58 0.01 -0.57 -3.04 113.70 119.97 1j84 s SER 72 Ca 0.01 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1j84 s SER 72 Cb -0.21 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1j84 s SER 72 CO -0.01 0.02 0.00 0.59 0.41 0.00 0.00 173.24 174.26 1j84 n ASN 73 N -0.72 -4.53 -0.13 2.44 3.02 -0.47 -2.66 115.26 112.21 1j84 n ASN 73 Ca -0.08 0.19 -0.07 0.00 -0.03 0.00 0.00 54.58 54.59 1j84 n ASN 73 Cb 0.55 -3.46 0.01 0.00 -0.61 0.00 0.00 39.78 36.28 1j84 n ASN 73 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1j84 h LEU 74 N 0.00 0.44 -0.27 3.41 3.38 -1.80 -2.45 115.31 118.02 1j84 h LEU 74 Ca -0.31 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1j84 h LEU 74 Cb 1.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1j84 h LEU 74 CO 0.41 0.32 -0.13 -1.13 0.09 0.00 0.00 178.44 177.99 1j84 h ASN 75 N 0.53 0.58 0.11 -0.43 -0.00 -1.68 0.25 115.58 114.95 1j84 h ASN 75 Ca 0.16 -0.41 -0.01 0.00 -0.00 0.00 0.00 56.30 56.04 1j84 h ASN 75 Cb -0.02 -0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 38.14 1j84 h ASN 75 CO -0.06 0.86 -0.07 0.28 -0.00 0.00 0.00 177.43 178.44 1j84 h SER 76 N 0.30 0.00 -0.65 1.15 0.02 -1.90 -2.40 113.55 110.08 1j84 h SER 76 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1j84 h SER 76 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1j84 h SER 76 CO 0.04 0.07 0.00 0.29 -1.14 0.00 0.00 176.83 176.09 1j84 n LYS 77 N -4.13 3.81 -1.07 3.45 4.01 -0.93 -4.93 118.16 118.36 1j84 n LYS 77 Ca -0.03 -2.88 -0.03 0.00 -0.51 0.00 0.00 58.31 54.87 1j84 n LYS 77 Cb 0.16 -1.93 -0.01 0.00 -0.51 0.00 0.00 35.03 32.74 1j84 n LYS 77 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j84 n GLY 78 N 1.13 0.58 2.89 0.72 0.00 -0.90 -4.92 105.19 104.69 1j84 n GLY 78 Ca 0.26 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1j84 n GLY 78 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j84 n SER 79 N 0.63 6.40 -0.45 1.61 2.88 0.88 -4.56 113.62 121.01 1j84 n SER 79 Ca -0.03 -3.39 0.05 0.00 -1.33 0.00 0.00 58.87 54.18 1j84 n SER 79 Cb 0.13 -1.30 0.08 0.00 -0.75 0.00 0.00 64.21 62.37 1j84 n SER 79 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1j84 n ASN 80 N 1.62 1.22 -4.71 -3.46 0.23 -1.26 -1.87 115.26 107.03 1j84 n ASN 80 Ca 0.33 -2.64 -0.42 0.00 -0.53 0.00 0.00 54.58 51.32 1j84 n ASN 80 Cb 0.32 -0.34 -0.03 0.00 -2.08 0.00 0.00 39.78 37.65 1j84 n ASN 80 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1j84 s ASP 81 N -2.10 6.93 -0.06 0.53 -1.08 -1.26 -4.59 116.67 115.04 1j84 s ASP 81 Ca 0.21 2.16 0.09 0.00 -0.52 0.00 0.00 52.55 54.49 1j84 s ASP 81 Cb 0.19 -2.58 0.14 0.00 -1.46 0.00 0.00 42.92 39.22 1j84 s ASP 81 CO -0.02 -0.59 1.06 0.18 0.52 0.00 0.00 175.17 176.33 1j84 n LEU 82 N 4.19 2.08 0.00 -1.34 4.77 -1.26 -4.57 117.00 120.87 1j84 n LEU 82 Ca 0.11 -2.47 -0.27 0.00 -0.03 0.00 0.00 56.01 53.35 1j84 n LEU 82 Cb 0.44 -0.21 0.19 0.00 -2.33 0.00 0.00 43.42 41.51 1j84 n LEU 82 CO 0.57 0.59 0.81 -1.54 -1.33 0.00 0.00 177.39 176.49 1j84 n SER 83 N -0.94 0.08 0.02 -1.43 3.41 -1.26 -4.95 113.62 108.55 1j84 n SER 83 Ca 0.08 -1.44 -0.19 0.00 -0.26 0.00 0.00 58.87 57.06 1j84 n SER 83 Cb 0.46 -0.93 -0.14 0.00 -0.26 0.00 0.00 64.21 63.33 1j84 n SER 83 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1j84 h GLU 84 N 0.00 0.26 -0.01 4.33 4.81 -1.97 -3.41 114.58 118.58 1j84 h GLU 84 Ca -0.39 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.40 1j84 h GLU 84 Cb 1.09 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1j84 h GLU 84 CO 0.28 1.12 0.00 0.41 -0.73 0.00 0.00 179.01 180.09 1j84 n GLY 85 N 1.86 -0.57 1.60 1.92 0.00 -1.26 -0.43 105.19 108.31 1j84 n GLY 85 Ca -0.26 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 1j84 n GLY 85 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j84 n ASN 86 N 0.47 3.82 0.00 1.61 5.15 -1.26 -4.52 115.26 120.53 1j84 n ASN 86 Ca 0.05 -3.41 0.02 0.00 -0.60 0.00 0.00 54.58 50.64 1j84 n ASN 86 Cb 0.21 -0.70 0.10 0.00 -0.53 0.00 0.00 39.78 38.86 1j84 n ASN 86 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1j84 n PHE 87 N -0.67 0.00 0.33 1.20 1.16 -1.26 -1.86 117.46 116.36 1j84 n PHE 87 Ca 0.39 0.00 0.22 0.00 -1.87 0.00 0.00 57.45 56.18 1j84 n PHE 87 Cb 1.25 -0.47 1.14 0.00 -1.61 0.00 0.00 39.48 39.79 1j84 n PHE 87 CO 0.00 0.00 0.00 -1.49 -1.87 0.00 0.00 176.76 173.40 1j84 h TRP 88 N 0.00 0.00 0.00 2.97 4.06 -1.97 -0.81 115.95 120.19 1j84 h TRP 88 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1j84 h TRP 88 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1j84 h TRP 88 CO 0.00 0.00 -0.21 0.00 -3.56 0.00 0.00 178.44 174.67 1j84 n ALA 89 N -2.09 2.64 -2.29 1.49 0.00 -0.78 -4.84 120.51 114.64 1j84 n ALA 89 Ca -0.03 -0.15 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 1j84 n ALA 89 Cb 0.10 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.21 1j84 n ALA 89 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1j84 s ASN 90 N -3.70 6.08 0.50 0.00 0.01 -0.31 -4.70 114.94 112.82 1j84 s ASN 90 Ca 0.11 0.74 -0.23 0.00 -0.71 0.00 0.00 52.86 52.77 1j84 s ASN 90 Cb 0.16 -2.02 -0.06 0.00 0.41 0.00 0.00 41.25 39.74 1j84 s ASN 90 CO 0.62 -0.65 1.37 0.54 -1.51 0.00 0.00 177.10 177.47 1j84 s VAL 91 N -2.71 2.13 -0.14 1.60 0.11 -1.23 -4.56 120.40 115.60 1j84 s VAL 91 Ca 0.48 0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.63 1j84 s VAL 91 Cb -0.10 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.67 1j84 s VAL 91 CO 0.43 0.01 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.96 1j84 s ARG 92 N -2.71 3.42 0.17 1.54 0.52 -1.26 -0.74 118.95 119.89 1j84 s ARG 92 Ca 0.67 -0.66 0.11 0.00 -0.52 0.00 0.00 55.73 55.33 1j84 s ARG 92 Cb -0.41 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 1j84 s ARG 92 CO 0.50 0.20 -0.24 0.96 0.02 0.00 0.00 175.30 176.75 1j84 s ILE 93 N 0.39 2.39 -0.01 1.52 -4.36 0.33 0.26 121.20 121.72 1j84 s ILE 93 Ca -0.10 -1.93 -0.17 0.00 -0.26 0.00 0.00 60.65 58.19 1j84 s ILE 93 Cb -0.16 -2.12 0.03 0.00 1.25 0.00 0.00 42.46 41.46 1j84 s ILE 93 CO 0.05 -0.06 0.37 -0.94 0.24 0.00 0.00 174.94 174.60 1j84 s SER 94 N -2.52 -0.26 -1.31 4.36 1.04 0.29 -0.03 113.70 115.28 1j84 s SER 94 Ca 0.19 0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.67 1j84 s SER 94 Cb -0.09 0.36 0.14 0.00 0.10 0.00 0.00 66.02 66.54 1j84 s SER 94 CO 0.09 -0.51 2.02 0.00 0.98 0.00 0.00 173.24 175.82 1j84 n ALA 95 N 1.07 5.70 0.07 5.32 0.00 -1.16 -1.44 120.51 130.06 1j84 n ALA 95 Ca -0.21 -4.23 0.02 0.00 0.00 0.00 0.00 53.44 49.03 1j84 n ALA 95 Cb 0.57 -3.00 0.37 0.00 0.00 0.00 0.00 19.45 17.39 1j84 n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1j84 h ASP 96 N 5.54 0.34 -0.76 0.00 3.32 -1.67 -2.78 116.42 120.41 1j84 h ASP 96 Ca 0.47 -0.06 -0.52 0.00 0.02 0.00 0.00 57.03 56.94 1j84 h ASP 96 Cb 0.56 -0.09 -0.32 0.00 0.22 0.00 0.00 39.33 39.70 1j84 h ASP 96 CO 1.63 0.43 -0.12 2.30 -1.72 0.00 0.00 179.24 181.75 1j84 n ILE 97 N -4.31 2.90 -0.07 0.35 -5.35 -1.14 -4.69 119.36 107.05 1j84 n ILE 97 Ca 0.00 -3.50 -0.12 0.00 -0.27 0.00 0.00 62.75 58.86 1j84 n ILE 97 Cb 0.23 -0.98 -0.06 0.00 -1.74 0.00 0.00 39.64 37.09 1j84 n ILE 97 CO 0.00 0.00 0.00 -0.25 -1.76 0.00 0.00 176.55 174.54 1j84 h TRP 98 N 1.88 0.43 -0.33 4.28 7.01 -1.65 -3.38 115.95 124.19 1j84 h TRP 98 Ca 0.42 -0.10 -0.14 0.00 2.11 0.00 0.00 58.89 61.19 1j84 h TRP 98 Cb 1.35 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 28.25 1j84 h TRP 98 CO 1.09 0.64 -0.13 0.41 -2.79 0.00 0.00 178.44 177.66 1j84 n GLY 99 N -0.10 0.77 0.17 2.65 0.00 -1.26 -4.44 105.19 102.97 1j84 n GLY 99 Ca -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 1j84 n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j84 n GLN 100 N -1.15 0.90 -3.64 1.61 1.13 -1.26 -5.13 117.38 109.83 1j84 n GLN 100 Ca -0.07 -0.17 -0.10 0.00 -1.94 0.00 0.00 57.00 54.72 1j84 n GLN 100 Cb 0.43 0.10 -0.02 0.00 0.11 0.00 0.00 30.24 30.86 1j84 n GLN 100 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1j84 s SER 101 N -1.13 -0.41 -0.10 1.08 1.04 -1.26 -4.74 113.70 108.18 1j84 s SER 101 Ca 0.01 -0.31 -0.04 0.00 0.48 0.00 0.00 55.95 56.10 1j84 s SER 101 Cb 0.00 0.66 0.05 0.00 0.10 0.00 0.00 66.02 66.83 1j84 s SER 101 CO 0.01 -1.15 0.16 -0.63 0.98 0.00 0.00 173.24 172.60 1j84 s ILE 102 N -3.83 -0.26 -0.08 -1.02 1.01 -0.68 -4.97 121.20 111.37 1j84 s ILE 102 Ca 0.06 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 1j84 s ILE 102 Cb -0.03 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 1j84 s ILE 102 CO -0.03 0.09 1.36 0.21 0.00 0.00 0.00 174.94 176.56 1j84 s ASN 103 N 2.29 6.89 -0.09 3.58 2.47 -1.26 -0.71 114.94 128.10 1j84 s ASN 103 Ca 0.03 1.92 0.13 0.00 0.42 0.00 0.00 52.86 55.37 1j84 s ASN 103 Cb -0.13 -2.55 0.23 0.00 -1.45 0.00 0.00 41.25 37.35 1j84 s ASN 103 CO -0.07 -0.75 1.13 2.30 -3.72 0.00 0.00 177.10 175.99 1j84 n ILE 104 N 5.09 1.64 -1.69 -5.21 -5.35 -0.18 -4.96 119.36 108.71 1j84 n ILE 104 Ca 0.14 -1.85 -0.44 0.00 -0.27 0.00 0.00 62.75 60.32 1j84 n ILE 104 Cb 0.44 -0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.29 1j84 n ILE 104 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1j84 n TYR 105 N -1.06 2.53 0.00 4.28 9.36 -1.24 -0.81 117.16 130.22 1j84 n TYR 105 Ca 0.12 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.36 1j84 n TYR 105 Cb 0.54 -2.66 0.00 0.00 -0.63 0.00 0.00 39.34 36.59 1j84 n TYR 105 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1j84 n GLY 106 N 3.97 1.93 3.79 2.98 0.00 -0.34 -5.03 105.19 112.49 1j84 n GLY 106 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1j84 n GLY 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j84 s ASP 107 N -2.95 5.51 0.00 1.61 1.11 0.01 -4.98 116.67 116.98 1j84 s ASP 107 Ca 0.00 1.86 0.00 0.00 0.18 0.00 0.00 52.55 54.59 1j84 s ASP 107 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1j84 s ASP 107 CO 0.00 -1.35 0.00 0.35 1.18 0.00 0.00 175.17 175.35 1j84 n THR 108 N -2.28 0.00 -4.01 -1.27 -2.24 -0.23 -4.88 114.28 99.38 1j84 n THR 108 Ca 0.09 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1j84 n THR 108 Cb 0.53 0.89 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 1j84 n THR 108 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1j84 s LYS 109 N -0.57 0.36 -0.27 -0.78 1.02 -0.08 -2.68 119.74 116.75 1j84 s LYS 109 Ca 0.00 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.46 1j84 s LYS 109 Cb 0.00 -0.08 0.06 0.00 -0.52 0.00 0.00 37.83 37.29 1j84 s LYS 109 CO 0.00 0.00 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.17 1j84 s LEU 110 N -1.24 3.53 0.19 3.17 2.96 0.11 -0.67 118.68 126.74 1j84 s LEU 110 Ca -0.11 -1.43 0.10 0.00 -0.22 0.00 0.00 54.13 52.47 1j84 s LEU 110 Cb -0.08 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1j84 s LEU 110 CO -0.00 -0.20 -0.15 0.42 -1.32 0.00 0.00 176.35 175.09 1j84 s THR 111 N 1.10 2.84 0.12 3.68 -4.23 -0.47 0.29 115.64 118.95 1j84 s THR 111 Ca -0.08 -1.85 -0.24 0.00 -1.18 0.00 0.00 61.69 58.34 1j84 s THR 111 Cb -0.20 -2.40 0.07 0.00 1.34 0.00 0.00 72.50 71.31 1j84 s THR 111 CO -0.05 -0.13 0.61 0.00 -0.54 0.00 0.00 174.62 174.51 1j84 s MET 112 N -2.82 1.23 -0.11 3.99 0.23 -0.47 -1.27 119.30 120.08 1j84 s MET 112 Ca 0.24 -0.33 -0.10 0.00 -1.03 0.00 0.00 55.69 54.47 1j84 s MET 112 Cb -0.08 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 33.74 1j84 s MET 112 CO 0.13 -0.51 0.22 -0.51 -2.03 0.00 0.00 175.02 172.32 1j84 s ASP 113 N -2.44 6.47 -0.22 -1.18 1.01 0.04 -1.41 116.67 118.94 1j84 s ASP 113 Ca -0.01 0.56 -0.05 0.00 0.71 0.00 0.00 52.55 53.75 1j84 s ASP 113 Cb -0.01 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1j84 s ASP 113 CO -0.08 0.32 0.01 -0.69 0.21 0.00 0.00 175.17 174.94 1j84 s VAL 114 N -0.68 3.91 -0.09 -1.27 1.01 0.61 -1.94 120.40 121.95 1j84 s VAL 114 Ca 0.16 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1j84 s VAL 114 Cb -0.13 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1j84 s VAL 114 CO 0.05 0.39 -0.14 -0.63 0.00 0.00 0.00 175.10 174.78 1j84 s ILE 115 N 1.36 3.06 -0.01 2.22 1.09 0.98 -0.97 121.20 128.93 1j84 s ILE 115 Ca 0.04 -0.69 -0.21 0.00 -1.10 0.00 0.00 60.65 58.69 1j84 s ILE 115 Cb -0.15 -2.24 0.04 0.00 -1.06 0.00 0.00 42.46 39.06 1j84 s ILE 115 CO 0.01 0.56 0.45 0.00 -0.10 0.00 0.00 174.94 175.87 1j84 s ALA 116 N -0.25 -1.16 0.43 9.38 0.00 -0.72 0.39 121.76 129.84 1j84 s ALA 116 Ca 0.01 0.62 0.12 0.00 0.00 0.00 0.00 51.96 52.71 1j84 s ALA 116 Cb -0.13 0.15 0.94 0.00 0.00 0.00 0.00 23.12 24.07 1j84 s ALA 116 CO 0.03 -0.36 1.98 -1.00 0.00 0.00 0.00 175.76 176.41 1j84 h PRO 117 N 3.33 0.13 -5.23 0.00 0.13 -1.84 0.66 132.00 129.18 1j84 h PRO 117 Ca -0.29 -0.02 -0.37 0.00 -0.87 0.00 0.00 66.00 64.45 1j84 h PRO 117 Cb 1.18 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 1j84 h PRO 117 CO 0.41 0.25 -0.72 0.99 -0.23 0.00 0.00 178.00 178.69 1j84 s THR 118 N -4.78 1.33 -0.10 1.56 2.01 -1.26 -4.29 115.64 110.10 1j84 s THR 118 Ca -0.05 -2.05 -0.29 0.00 0.31 0.00 0.00 61.69 59.61 1j84 s THR 118 Cb 0.16 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 1j84 s THR 118 CO 0.71 -0.67 1.74 -2.84 -0.69 0.00 0.00 174.62 172.87 1j84 s PRO 119 N -3.58 3.97 0.17 4.92 0.02 -1.26 -4.85 135.00 134.38 1j84 s PRO 119 Ca 0.17 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1j84 s PRO 119 Cb 0.01 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.47 1j84 s PRO 119 CO 0.02 -1.11 0.02 1.33 -0.33 0.00 0.00 177.00 176.94 1j84 n VAL 120 N 5.97 0.00 -5.04 3.83 0.24 -1.26 -4.68 118.33 117.38 1j84 n VAL 120 Ca 0.19 -0.76 -0.32 0.00 -2.04 0.00 0.00 64.34 61.41 1j84 n VAL 120 Cb 0.43 0.07 -0.17 0.00 -1.47 0.00 0.00 33.84 32.71 1j84 n VAL 120 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1j84 s ASN 121 N -1.92 3.13 -0.02 -1.34 0.01 -1.26 -2.49 114.94 111.05 1j84 s ASN 121 Ca 0.02 -0.57 0.03 0.00 -0.71 0.00 0.00 52.86 51.63 1j84 s ASN 121 Cb -0.00 -1.43 0.00 0.00 0.41 0.00 0.00 41.25 40.23 1j84 s ASN 121 CO 0.01 0.14 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.96 1j84 s VAL 122 N 0.48 0.76 -0.12 1.60 1.01 -0.92 -2.88 120.40 120.34 1j84 s VAL 122 Ca -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1j84 s VAL 122 Cb -0.17 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1j84 s VAL 122 CO 0.06 0.23 -0.15 -0.55 0.00 0.00 0.00 175.10 174.69 1j84 s SER 123 N 0.10 3.84 -0.04 3.32 0.15 0.16 -2.24 113.70 119.00 1j84 s SER 123 Ca -0.02 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1j84 s SER 123 Cb -0.07 -1.49 0.02 0.00 -1.71 0.00 0.00 66.02 62.77 1j84 s SER 123 CO 0.00 0.18 -0.03 -0.63 1.20 0.00 0.00 173.24 173.97 1j84 s ILE 124 N 0.23 0.40 0.07 6.45 -1.09 -0.47 -1.28 121.20 125.52 1j84 s ILE 124 Ca -0.10 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.33 1j84 s ILE 124 Cb -0.16 -0.44 -0.03 0.00 -1.58 0.00 0.00 42.46 40.25 1j84 s ILE 124 CO 0.06 0.19 -0.19 0.00 -1.23 0.00 0.00 174.94 173.76 1j84 s ALA 125 N 0.85 1.65 0.03 9.38 0.00 -1.01 -0.28 121.76 132.39 1j84 s ALA 125 Ca -0.10 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1j84 s ALA 125 Cb -0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1j84 s ALA 125 CO -0.00 0.34 -0.06 0.00 0.00 0.00 0.00 175.76 176.03 1j84 s ALA 126 N -1.01 0.42 -0.38 0.00 0.00 -1.26 -0.83 121.76 118.70 1j84 s ALA 126 Ca 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1j84 s ALA 126 Cb -0.09 0.08 0.14 0.00 0.00 0.00 0.00 23.12 23.25 1j84 s ALA 126 CO 0.03 -0.07 0.22 0.42 0.00 0.00 0.00 175.76 176.35 1j84 s ILE 127 N -1.43 0.59 0.57 0.00 1.01 0.16 -4.75 121.20 117.36 1j84 s ILE 127 Ca -0.12 -1.98 -0.19 0.00 0.00 0.00 0.00 60.65 58.36 1j84 s ILE 127 Cb -0.10 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1j84 s ILE 127 CO -0.00 -0.95 1.19 -2.84 0.00 0.00 0.00 174.94 172.34 1j84 s PRO 128 N 0.85 3.11 0.04 2.79 0.02 -1.26 -1.74 135.00 138.80 1j84 s PRO 128 Ca 0.18 1.77 0.06 0.00 0.02 0.00 0.00 61.00 63.02 1j84 s PRO 128 Cb -0.23 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.30 1j84 s PRO 128 CO -0.00 -1.08 -0.16 -0.65 -0.33 0.00 0.00 177.00 174.78 1j84 s GLN 129 N -3.29 1.09 0.35 5.54 -0.21 0.72 -4.60 119.66 119.26 1j84 s GLN 129 Ca 0.76 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 55.38 1j84 s GLN 129 Cb -0.29 -1.13 -0.06 0.00 1.00 0.00 0.00 33.01 32.53 1j84 s GLN 129 CO 0.31 0.29 0.05 -1.54 -2.12 0.00 0.00 175.29 172.28 1j84 s SER 130 N -1.09 2.77 0.41 5.90 1.04 -1.04 -0.19 113.70 121.49 1j84 s SER 130 Ca 0.04 -1.40 0.10 0.00 0.48 0.00 0.00 55.95 55.17 1j84 s SER 130 Cb -0.08 -0.10 0.91 0.00 0.10 0.00 0.00 66.02 66.85 1j84 s SER 130 CO 0.01 -0.60 2.00 0.77 0.98 0.00 0.00 173.24 176.41 1j84 h SER 131 N 2.00 0.46 -0.01 7.02 4.64 -1.93 -2.88 113.55 122.86 1j84 h SER 131 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1j84 h SER 131 Cb 1.25 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1j84 h SER 131 CO 0.72 0.30 -0.27 0.35 -0.87 0.00 0.00 176.83 177.06 1j84 n THR 132 N -4.47 0.00 -3.57 2.95 -2.24 -1.26 -4.71 114.28 100.98 1j84 n THR 132 Ca 0.08 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.22 1j84 n THR 132 Cb 0.24 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.56 1j84 n THR 132 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1j84 n HIS 133 N -0.03 2.07 0.75 4.78 8.25 -1.09 -4.97 115.22 124.99 1j84 n HIS 133 Ca 0.06 -3.97 0.12 0.00 -0.26 0.00 0.00 57.72 53.67 1j84 n HIS 133 Cb 0.32 -0.40 0.49 0.00 1.12 0.00 0.00 29.99 31.52 1j84 n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j84 n GLY 134 N 1.72 -1.36 3.58 -1.41 0.00 -1.25 -2.51 105.19 103.97 1j84 n GLY 134 Ca 0.25 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1j84 n GLY 134 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1j84 s TRP 135 N -3.04 -0.43 -0.29 1.61 -0.11 -1.26 -4.91 118.94 110.51 1j84 s TRP 135 Ca 0.11 0.81 -0.13 0.00 1.22 0.00 0.00 56.10 58.11 1j84 s TRP 135 Cb 0.14 0.42 0.12 0.00 -1.50 0.00 0.00 33.47 32.66 1j84 s TRP 135 CO 0.45 -0.35 0.72 0.20 -4.62 0.00 0.00 176.95 173.36 1j84 s GLY 136 N -0.82 -0.59 0.07 5.86 0.00 -1.26 -4.84 107.32 105.74 1j84 s GLY 136 Ca -0.02 2.51 -0.31 0.00 0.00 0.00 0.00 44.72 46.91 1j84 s GLY 136 CO 0.01 2.80 1.67 -1.31 0.00 0.00 0.00 173.10 176.27 1j84 s ASN 137 N 2.27 6.59 0.46 1.64 0.01 -1.26 -4.57 114.94 120.09 1j84 s ASN 137 Ca -0.07 2.49 -0.24 0.00 -0.71 0.00 0.00 52.86 54.33 1j84 s ASN 137 Cb -0.08 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 38.93 1j84 s ASN 137 CO -0.19 -0.90 1.27 -2.65 -1.51 0.00 0.00 177.10 173.13 1j84 n PRO 138 N 5.70 1.82 0.05 -0.60 -0.02 -1.26 -4.37 135.00 136.32 1j84 n PRO 138 Ca 0.16 0.65 -0.07 0.00 -2.02 0.00 0.00 63.50 62.23 1j84 n PRO 138 Cb 0.40 -2.42 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 1j84 n PRO 138 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1j84 h THR 139 N 1.85 1.58 -2.22 3.45 1.35 -1.15 -3.48 112.91 114.28 1j84 h THR 139 Ca -0.49 -3.30 0.08 0.00 -0.55 0.00 0.00 66.41 62.16 1j84 h THR 139 Cb 1.30 2.78 -0.16 0.00 -1.73 0.00 0.00 68.15 70.33 1j84 h THR 139 CO 0.59 0.90 0.46 0.00 -0.25 0.00 0.00 175.52 177.21 1j84 s ARG 140 N -2.70 0.84 0.01 4.72 1.70 -1.16 -4.83 118.95 117.53 1j84 s ARG 140 Ca 0.00 -0.22 -0.05 0.00 -0.47 0.00 0.00 55.73 55.00 1j84 s ARG 140 Cb 0.10 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 1j84 s ARG 140 CO 0.82 -0.35 0.24 0.00 -1.08 0.00 0.00 175.30 174.93 1j84 s ALA 141 N -2.76 3.89 -0.21 7.88 0.00 0.42 -4.76 121.76 126.23 1j84 s ALA 141 Ca 0.03 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1j84 s ALA 141 Cb -0.01 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 1j84 s ALA 141 CO -0.07 0.69 0.14 0.42 0.00 0.00 0.00 175.76 176.94 1j84 s ILE 142 N -1.32 5.39 0.02 0.00 -1.09 0.62 -4.72 121.20 120.10 1j84 s ILE 142 Ca 0.28 0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.93 1j84 s ILE 142 Cb -0.13 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1j84 s ILE 142 CO 0.17 0.42 -0.10 -0.13 -1.23 0.00 0.00 174.94 174.08 1j84 s ARG 143 N 0.50 2.40 -0.11 2.79 3.00 -1.26 -1.37 118.95 124.91 1j84 s ARG 143 Ca 0.08 -0.81 0.03 0.00 0.00 0.00 0.00 55.73 55.03 1j84 s ARG 143 Cb -0.12 -2.41 0.01 0.00 0.00 0.00 0.00 34.95 32.44 1j84 s ARG 143 CO -0.01 0.58 -0.19 0.14 0.00 0.00 0.00 175.30 175.82 1j84 s VAL 144 N -0.99 1.77 0.39 3.52 -7.23 -0.95 -5.02 120.40 111.89 1j84 s VAL 144 Ca 0.17 -0.82 0.08 0.00 -1.81 0.00 0.00 61.98 59.59 1j84 s VAL 144 Cb -0.11 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 1j84 s VAL 144 CO 0.07 0.50 0.39 0.26 -0.31 0.00 0.00 175.10 176.01 1j84 s TRP 145 N 0.75 2.82 0.29 2.82 0.52 -1.26 -2.16 118.94 122.72 1j84 s TRP 145 Ca -0.10 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.59 1j84 s TRP 145 Cb -0.16 -2.08 0.63 0.00 -1.15 0.00 0.00 33.47 30.72 1j84 s TRP 145 CO 0.01 -0.06 1.57 1.79 0.02 0.00 0.00 176.95 180.28 1j84 h THR 146 N 1.03 0.03 0.00 2.01 1.35 -1.76 0.76 112.91 116.33 1j84 h THR 146 Ca -0.43 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1j84 h THR 146 Cb 1.26 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1j84 h THR 146 CO 0.55 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.37 1j84 n ASN 147 N -5.53 0.00 -0.11 5.36 0.23 -1.26 -1.36 115.26 112.58 1j84 n ASN 147 Ca 0.20 0.41 0.12 0.00 -0.53 0.00 0.00 54.58 54.78 1j84 n ASN 147 Cb 0.65 -0.44 0.26 0.00 -2.08 0.00 0.00 39.78 38.18 1j84 n ASN 147 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1j84 n ASN 148 N -1.44 0.79 -4.81 0.53 3.02 0.26 -4.90 115.26 108.71 1j84 n ASN 148 Ca 0.02 -0.59 -0.38 0.00 -0.03 0.00 0.00 54.58 53.59 1j84 n ASN 148 Cb 0.07 0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 39.44 1j84 n ASN 148 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1j84 s PHE 149 N -2.79 3.77 -0.09 3.10 0.40 -0.46 -4.53 117.98 117.37 1j84 s PHE 149 Ca 0.16 1.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.68 1j84 s PHE 149 Cb 0.18 -2.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.27 1j84 s PHE 149 CO 0.64 0.59 -0.18 0.08 0.70 0.00 0.00 175.22 177.05 1j84 s VAL 150 N -1.00 2.70 0.40 -0.44 1.01 -0.41 -4.88 120.40 117.78 1j84 s VAL 150 Ca 0.27 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 1j84 s VAL 150 Cb -0.18 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 1j84 s VAL 150 CO 0.17 0.56 1.34 0.00 0.00 0.00 0.00 175.10 177.16 1j84 s ALA 151 N -0.03 3.32 0.06 5.51 0.00 -1.26 -1.58 121.76 127.78 1j84 s ALA 151 Ca -0.05 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.26 1j84 s ALA 151 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1j84 s ALA 151 CO 0.04 -0.87 -0.09 -0.65 0.00 0.00 0.00 175.76 174.19 1j84 s GLN 152 N -2.19 2.31 0.64 0.00 -1.52 0.11 -4.90 119.66 114.10 1j84 s GLN 152 Ca 0.56 -0.89 0.34 0.00 -1.95 0.00 0.00 55.36 53.42 1j84 s GLN 152 Cb -0.40 -2.38 1.89 0.00 -0.22 0.00 0.00 33.01 31.91 1j84 s GLN 152 CO 0.52 0.55 2.12 1.79 -0.25 0.00 0.00 175.29 180.02 1j84 h THR 153 N 3.52 0.16 0.00 -0.19 1.35 -1.96 0.56 112.91 116.36 1j84 h THR 153 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1j84 h THR 153 Cb 1.16 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1j84 h THR 153 CO 0.53 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.90 1j84 n ASP 154 N -3.27 0.00 0.00 5.36 5.75 -1.26 -4.89 116.55 118.24 1j84 n ASP 154 Ca -0.01 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 1j84 n ASP 154 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1j84 n ASP 154 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j84 n GLY 155 N 0.88 3.02 3.67 6.12 0.00 0.20 -5.05 105.19 114.03 1j84 n GLY 155 Ca 0.22 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1j84 n GLY 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j84 s THR 156 N -1.52 1.72 0.10 2.61 -4.23 -1.25 -4.61 115.64 108.45 1j84 s THR 156 Ca 0.00 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 1j84 s THR 156 Cb 0.00 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 1j84 s THR 156 CO 0.00 0.00 -0.26 -0.31 -0.54 0.00 0.00 174.62 173.51 1j84 s TYR 157 N -3.20 2.23 -0.00 3.99 1.51 0.22 0.06 117.35 122.16 1j84 s TYR 157 Ca 0.71 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 56.37 1j84 s TYR 157 Cb -0.09 -1.25 -0.00 0.00 -0.11 0.00 0.00 41.96 40.51 1j84 s TYR 157 CO 0.55 0.25 0.01 0.21 -1.11 0.00 0.00 175.55 175.46 1j84 s LYS 158 N -1.77 0.04 0.16 -0.62 2.20 -0.61 -1.76 119.74 117.39 1j84 s LYS 158 Ca 0.12 -0.04 0.09 0.00 -0.36 0.00 0.00 55.97 55.78 1j84 s LYS 158 Cb -0.10 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1j84 s LYS 158 CO 0.04 -0.01 -0.19 0.00 -0.36 0.00 0.00 175.35 174.84 1j84 s ALA 159 N -0.13 2.01 -0.32 3.13 0.00 -0.14 -1.29 121.76 125.02 1j84 s ALA 159 Ca -0.01 -1.48 -0.06 0.00 0.00 0.00 0.00 51.96 50.41 1j84 s ALA 159 Cb -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1j84 s ALA 159 CO -0.00 0.25 0.08 0.99 0.00 0.00 0.00 175.76 177.08 1j84 s THR 160 N -1.98 3.70 -0.15 0.00 2.01 -1.26 -0.29 115.64 117.67 1j84 s THR 160 Ca 0.15 -1.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.02 1j84 s THR 160 Cb -0.06 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1j84 s THR 160 CO 0.07 -0.09 0.13 -0.22 -0.69 0.00 0.00 174.62 173.82 1j84 s LEU 161 N 1.41 4.31 -0.07 4.42 0.20 -0.50 -4.98 118.68 123.46 1j84 s LEU 161 Ca -0.01 0.37 0.01 0.00 0.69 0.00 0.00 54.13 55.19 1j84 s LEU 161 Cb -0.19 -2.07 0.02 0.00 -0.43 0.00 0.00 46.19 43.52 1j84 s LEU 161 CO 0.02 0.32 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.43 1j84 s THR 162 N -0.50 0.90 -0.20 3.68 2.01 -1.26 -1.37 115.64 118.89 1j84 s THR 162 Ca 0.12 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 1j84 s THR 162 Cb -0.12 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1j84 s THR 162 CO 0.02 0.32 0.01 -0.63 -0.69 0.00 0.00 174.62 173.64 1j84 s ILE 163 N 1.04 4.00 0.37 1.82 1.01 0.14 -4.94 121.20 124.64 1j84 s ILE 163 Ca -0.08 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1j84 s ILE 163 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1j84 s ILE 163 CO -0.00 0.42 0.58 -0.55 0.00 0.00 0.00 174.94 175.38 1j84 s SER 164 N 1.04 6.19 0.60 3.58 0.15 -1.26 0.04 113.70 124.03 1j84 s SER 164 Ca 0.02 0.40 0.36 0.00 0.70 0.00 0.00 55.95 57.43 1j84 s SER 164 Cb -0.14 -1.90 1.88 0.00 -1.71 0.00 0.00 66.02 64.14 1j84 s SER 164 CO 0.02 -0.39 2.20 0.71 1.20 0.00 0.00 173.24 176.98 1j84 h THR 165 N 0.67 0.22 0.00 6.45 1.35 -1.81 0.23 112.91 120.02 1j84 h THR 165 Ca -0.49 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1j84 h THR 165 Cb 1.23 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1j84 h THR 165 CO 0.60 0.03 0.00 0.78 -0.25 0.00 0.00 175.52 176.68 1j84 h ASN 166 N 0.00 0.00 0.44 5.36 2.35 -1.93 -2.89 115.58 118.90 1j84 h ASN 166 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1j84 h ASN 166 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1j84 h ASN 166 CO 0.00 0.00 -1.22 0.47 -1.65 0.00 0.00 177.43 175.03 1j84 n ASP 167 N -2.96 0.55 -3.65 5.81 8.00 0.06 -4.79 116.55 119.57 1j84 n ASP 167 Ca 0.00 -0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.13 1j84 n ASP 167 Cb 0.26 0.98 -0.16 0.00 -0.02 0.00 0.00 41.12 42.18 1j84 n ASP 167 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1j84 s SER 168 N -4.30 3.18 0.42 -2.24 0.15 -1.09 -0.58 113.70 109.24 1j84 s SER 168 Ca 0.01 -1.07 0.10 0.00 0.70 0.00 0.00 55.95 55.69 1j84 s SER 168 Cb 0.13 -0.49 0.95 0.00 -1.71 0.00 0.00 66.02 64.90 1j84 s SER 168 CO 0.82 -0.38 2.03 1.55 1.20 0.00 0.00 173.24 178.47 1j84 h PRO 169 N 8.30 0.46 0.00 5.44 0.13 -1.76 -1.07 132.00 143.51 1j84 h PRO 169 Ca -0.17 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.85 1j84 h PRO 169 Cb 1.07 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1j84 h PRO 169 CO 0.38 0.30 -0.39 -0.97 -0.23 0.00 0.00 178.00 177.10 1j84 h ASN 170 N 0.47 0.00 -0.20 1.44 -1.24 -1.88 0.68 115.58 114.84 1j84 h ASN 170 Ca 0.20 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.08 1j84 h ASN 170 Cb 0.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 1j84 h ASN 170 CO -0.05 0.39 -0.39 0.15 -1.29 0.00 0.00 177.43 176.24 1j84 h PHE 171 N 0.00 0.78 -0.52 0.67 3.57 -1.49 -1.91 116.94 118.04 1j84 h PHE 171 Ca -0.00 -0.28 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 1j84 h PHE 171 Cb 0.90 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1j84 h PHE 171 CO 0.00 1.03 0.04 -0.97 -2.23 0.00 0.00 178.31 176.19 1j84 h ASN 172 N 0.30 0.86 0.08 0.41 -1.24 -0.91 -1.19 115.58 113.89 1j84 h ASN 172 Ca 0.01 -0.28 -0.00 0.00 0.71 0.00 0.00 56.30 56.73 1j84 h ASN 172 Cb 0.98 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.81 1j84 h ASN 172 CO 0.09 0.93 -0.04 0.74 -1.29 0.00 0.00 177.43 177.86 1j84 h THR 173 N 0.76 0.93 -0.38 -3.57 2.02 -0.82 -1.62 112.91 110.21 1j84 h THR 173 Ca 0.15 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1j84 h THR 173 Cb 0.46 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1j84 h THR 173 CO 0.02 0.00 0.11 0.40 0.37 0.00 0.00 175.52 176.42 1j84 h ILE 174 N -0.11 1.22 0.00 3.11 2.04 -1.30 -1.75 117.51 120.73 1j84 h ILE 174 Ca -0.01 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1j84 h ILE 174 Cb 0.09 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1j84 h ILE 174 CO 0.02 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.42 1j84 h ALA 175 N 0.95 1.00 -0.19 1.87 0.00 -1.13 -2.71 119.26 119.06 1j84 h ALA 175 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j84 h ALA 175 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1j84 h ALA 175 CO -0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1j84 n THR 176 N -2.97 0.57 -3.57 0.00 -2.24 -0.62 -1.20 114.28 104.26 1j84 n THR 176 Ca -0.01 -0.79 -0.41 0.00 -2.27 0.00 0.00 64.05 60.58 1j84 n THR 176 Cb 0.21 0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 1j84 n THR 176 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1j84 s ASP 177 N -0.93 5.81 0.57 3.42 2.15 -0.67 -4.91 116.67 122.10 1j84 s ASP 177 Ca 0.17 -2.68 0.26 0.00 0.43 0.00 0.00 52.55 50.73 1j84 s ASP 177 Cb 0.10 -1.99 1.58 0.00 -0.30 0.00 0.00 42.92 42.31 1j84 s ASP 177 CO 0.14 -0.48 2.13 0.00 -0.17 0.00 0.00 175.17 176.79 1j84 h ALA 178 N 7.46 1.88 0.00 3.66 0.00 -1.89 -0.06 119.26 130.31 1j84 h ALA 178 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j84 h ALA 178 Cb 1.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1j84 h ALA 178 CO 0.75 -0.22 -0.04 0.00 0.00 0.00 0.00 179.25 179.74 1j84 h ALA 179 N 1.86 1.00 -0.73 0.00 0.00 -1.95 -3.38 119.26 116.06 1j84 h ALA 179 Ca 0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1j84 h ALA 179 Cb 0.36 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.99 1j84 h ALA 179 CO -0.00 0.04 -0.42 -3.47 0.00 0.00 0.00 179.25 175.40 1j84 n ASP 180 N -3.14 -3.04 -1.29 0.00 2.03 -0.10 -5.01 116.55 106.00 1j84 n ASP 180 Ca 0.01 -2.63 0.08 0.00 0.52 0.00 0.00 54.79 52.76 1j84 n ASP 180 Cb 0.34 1.58 0.31 0.00 -0.72 0.00 0.00 41.12 42.64 1j84 n ASP 180 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1j84 n SER 181 N 2.69 4.51 -4.53 1.67 3.41 -0.81 -4.76 113.62 115.81 1j84 n SER 181 Ca 0.15 -2.78 -0.41 0.00 -0.26 0.00 0.00 58.87 55.57 1j84 n SER 181 Cb 0.59 -0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 1j84 n SER 181 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1j84 s VAL 182 N -2.43 5.16 -0.13 -3.33 1.01 -1.26 -1.01 120.40 118.41 1j84 s VAL 182 Ca 0.46 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 1j84 s VAL 182 Cb 0.34 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1j84 s VAL 182 CO 0.15 -0.14 1.37 -0.69 0.00 0.00 0.00 175.10 175.79 1j84 s VAL 183 N 2.02 4.07 -1.64 2.92 1.01 0.11 -4.35 120.40 124.54 1j84 s VAL 183 Ca 0.12 1.30 0.14 0.00 0.00 0.00 0.00 61.98 63.54 1j84 s VAL 183 Cb -0.17 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.45 1j84 s VAL 183 CO 0.12 -0.11 0.90 0.35 0.00 0.00 0.00 175.10 176.36 1j84 n THR 184 N 5.36 0.00 -3.59 3.92 -2.24 0.73 -1.68 114.28 116.77 1j84 n THR 184 Ca 0.15 -0.45 0.04 0.00 -2.27 0.00 0.00 64.05 61.52 1j84 n THR 184 Cb 0.44 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 1j84 n THR 184 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j84 s ASN 185 N -1.40 -0.00 -0.10 3.42 3.84 -1.15 -4.88 114.94 114.67 1j84 s ASN 185 Ca 0.15 -0.01 -0.27 0.00 0.21 0.00 0.00 52.86 52.94 1j84 s ASN 185 Cb 0.12 0.01 0.06 0.00 -0.55 0.00 0.00 41.25 40.89 1j84 s ASN 185 CO 0.24 -0.02 0.63 -0.32 -2.79 0.00 0.00 177.10 174.85 1j84 s MET 186 N -2.02 0.94 -0.13 0.43 -2.45 -1.26 -0.20 119.30 114.61 1j84 s MET 186 Ca 0.16 0.38 0.01 0.00 -1.25 0.00 0.00 55.69 55.00 1j84 s MET 186 Cb 0.07 0.44 -0.01 0.00 1.25 0.00 0.00 34.83 36.59 1j84 s MET 186 CO -0.06 -0.25 -0.18 0.42 1.05 0.00 0.00 175.02 176.00 1j84 s ILE 187 N -0.81 2.57 -0.10 10.11 1.01 -0.71 -3.00 121.20 130.26 1j84 s ILE 187 Ca -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1j84 s ILE 187 Cb -0.02 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1j84 s ILE 187 CO 0.07 0.54 -0.16 -0.76 0.00 0.00 0.00 174.94 174.62 1j84 s LEU 188 N 0.48 2.54 -0.30 2.97 1.43 0.96 -0.67 118.68 126.10 1j84 s LEU 188 Ca -0.12 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 1j84 s LEU 188 Cb -0.16 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1j84 s LEU 188 CO 0.05 0.21 0.32 -0.36 0.23 0.00 0.00 176.35 176.80 1j84 s PHE 189 N 0.07 3.23 -0.19 0.29 0.40 -0.01 -0.52 117.98 121.26 1j84 s PHE 189 Ca -0.07 0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1j84 s PHE 189 Cb -0.15 -2.56 0.02 0.00 0.51 0.00 0.00 43.02 40.84 1j84 s PHE 189 CO 0.05 -0.28 -0.18 0.08 0.70 0.00 0.00 175.22 175.59 1j84 s VAL 190 N 1.97 2.25 0.05 -0.44 1.01 0.08 -2.40 120.40 122.92 1j84 s VAL 190 Ca 0.12 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1j84 s VAL 190 Cb -0.16 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1j84 s VAL 190 CO 0.11 0.52 -0.16 -0.83 0.00 0.00 0.00 175.10 174.74 1j84 s GLY 191 N 1.31 0.91 0.10 4.51 0.00 -0.40 -3.50 107.32 110.24 1j84 s GLY 191 Ca 0.05 -0.92 -0.25 0.00 0.00 0.00 0.00 44.72 43.59 1j84 s GLY 191 CO -0.11 -0.89 0.70 -0.45 0.00 0.00 0.00 173.10 172.35 1j84 s SER 192 N -1.24 -0.50 -0.13 1.64 0.15 -0.78 0.38 113.70 113.22 1j84 s SER 192 Ca 0.03 0.01 0.17 0.00 0.70 0.00 0.00 55.95 56.86 1j84 s SER 192 Cb -0.08 0.52 0.71 0.00 -1.71 0.00 0.00 66.02 65.46 1j84 s SER 192 CO 0.02 -0.84 1.62 -0.46 1.20 0.00 0.00 173.24 174.78 1j84 n ASN 193 N -0.32 4.79 -4.18 5.45 6.94 -1.14 -3.79 115.26 123.01 1j84 n ASN 193 Ca -0.14 -2.53 -0.29 0.00 -0.02 0.00 0.00 54.58 51.60 1j84 n ASN 193 Cb 0.64 -0.58 -0.16 0.00 -2.36 0.00 0.00 39.78 37.31 1j84 n ASN 193 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1j84 s SER 194 N -0.97 2.61 0.00 0.53 0.15 -1.26 -4.86 113.70 109.90 1j84 s SER 194 Ca 0.50 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1j84 s SER 194 Cb 0.33 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 1j84 s SER 194 CO 0.22 0.17 0.85 0.47 1.20 0.00 0.00 173.24 176.15 1j84 n ASP 195 N 3.26 0.29 -3.25 5.45 8.00 -1.26 -3.93 116.55 125.12 1j84 n ASP 195 Ca -0.19 -1.99 -0.03 0.00 0.71 0.00 0.00 54.79 53.29 1j84 n ASP 195 Cb 0.52 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 1j84 n ASP 195 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1j84 s ASN 196 N -0.71 -0.47 0.15 -2.24 2.47 -1.26 -1.37 114.94 111.51 1j84 s ASN 196 Ca 0.00 0.13 -0.01 0.00 0.42 0.00 0.00 52.86 53.40 1j84 s ASN 196 Cb 0.00 1.54 -0.04 0.00 -1.45 0.00 0.00 41.25 41.30 1j84 s ASN 196 CO 0.00 -0.31 0.07 0.27 -3.72 0.00 0.00 177.10 173.40 1j84 s ILE 197 N 2.67 0.17 -0.01 -5.21 -4.36 -1.17 -4.55 121.20 108.75 1j84 s ILE 197 Ca 0.13 -1.94 -0.03 0.00 -0.26 0.00 0.00 60.65 58.54 1j84 s ILE 197 Cb -0.13 -2.16 -0.00 0.00 1.25 0.00 0.00 42.46 41.41 1j84 s ILE 197 CO -0.24 -0.36 0.07 -0.44 0.24 0.00 0.00 174.94 174.20 1j84 s SER 198 N -3.10 0.05 0.06 4.36 0.01 0.16 -1.36 113.70 113.88 1j84 s SER 198 Ca 0.27 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.45 1j84 s SER 198 Cb 0.07 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 1j84 s SER 198 CO 0.04 -0.21 -0.10 -0.76 0.41 0.00 0.00 173.24 172.62 1j84 s LEU 199 N -0.84 3.01 -0.01 2.44 1.43 0.48 -0.02 118.68 125.17 1j84 s LEU 199 Ca -0.09 -0.32 -0.26 0.00 -1.03 0.00 0.00 54.13 52.43 1j84 s LEU 199 Cb -0.06 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.45 1j84 s LEU 199 CO 0.00 0.22 0.59 -0.62 0.23 0.00 0.00 176.35 176.78 1j84 s ASP 200 N -1.82 -0.54 -1.29 2.29 2.15 -0.82 -0.56 116.67 116.09 1j84 s ASP 200 Ca 0.19 0.46 -0.00 0.00 0.43 0.00 0.00 52.55 53.62 1j84 s ASP 200 Cb -0.11 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 1j84 s ASP 200 CO 0.10 -0.64 0.77 0.59 -0.17 0.00 0.00 175.17 175.82 1j84 n ASN 201 N 0.73 -1.41 -4.62 -0.34 3.02 -0.86 -0.78 115.26 111.01 1j84 n ASN 201 Ca -0.19 -0.77 -0.43 0.00 -0.03 0.00 0.00 54.58 53.16 1j84 n ASN 201 Cb 0.58 -4.30 -0.02 0.00 -0.61 0.00 0.00 39.78 35.43 1j84 n ASN 201 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j84 s ILE 202 N -3.60 4.35 0.04 2.41 1.01 -0.78 -4.08 121.20 120.55 1j84 s ILE 202 Ca 0.01 1.42 -0.09 0.00 0.00 0.00 0.00 60.65 61.99 1j84 s ILE 202 Cb -0.01 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.95 1j84 s ILE 202 CO 0.79 -0.77 0.18 -1.59 0.00 0.00 0.00 174.94 173.55 1j84 s LYS 203 N 4.08 0.68 -0.04 2.79 -2.85 -0.40 -2.02 119.74 121.99 1j84 s LYS 203 Ca 0.46 -0.65 -0.11 0.00 -1.00 0.00 0.00 55.97 54.68 1j84 s LYS 203 Cb -0.09 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.91 1j84 s LYS 203 CO 0.24 -0.19 0.30 -0.06 0.10 0.00 0.00 175.35 175.74 1j84 s PHE 204 N -2.57 3.66 0.00 1.78 0.40 -1.26 -1.37 117.98 118.61 1j84 s PHE 204 Ca -0.05 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 1j84 s PHE 204 Cb -0.01 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.39 1j84 s PHE 204 CO -0.04 0.67 0.00 0.25 0.70 0.00 0.00 175.22 176.80