#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj5 s MET 1 N 0.00 0.50 -0.01 -1.40 0.00 -1.26 -1.67 119.30 115.46 1sj5 s MET 1 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 55.69 55.66 1sj5 s MET 1 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 34.83 35.02 1sj5 s MET 1 CO 0.00 -0.11 0.12 1.03 0.00 0.00 0.00 175.02 176.05 1sj5 s ARG 2 N -0.79 3.19 0.83 3.16 1.81 0.11 -4.85 118.95 122.41 1sj5 s ARG 2 Ca -0.09 -0.43 -0.12 0.00 -1.72 0.00 0.00 55.73 53.38 1sj5 s ARG 2 Cb -0.05 -2.94 0.09 0.00 -0.45 0.00 0.00 34.95 31.61 1sj5 s ARG 2 CO 0.02 0.66 1.15 0.21 -0.68 0.00 0.00 175.30 176.66 1sj5 s LYS 3 N -1.80 1.64 0.23 3.54 2.20 -1.26 -0.31 119.74 123.99 1sj5 s LYS 3 Ca 0.24 1.53 -0.15 0.00 -0.36 0.00 0.00 55.97 57.22 1sj5 s LYS 3 Cb -0.12 -1.80 0.01 0.00 -1.51 0.00 0.00 37.83 34.41 1sj5 s LYS 3 CO 0.15 -2.16 0.52 0.00 -0.36 0.00 0.00 175.35 173.50 1sj5 s ALA 4 N -2.51 -0.60 0.27 3.13 0.00 0.40 -2.55 121.76 119.90 1sj5 s ALA 4 Ca 0.68 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 1sj5 s ALA 4 Cb -0.23 0.96 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1sj5 s ALA 4 CO 0.53 -0.86 0.67 1.67 0.00 0.00 0.00 175.76 177.77 1sj5 s TRP 5 N -3.96 -0.08 -0.50 0.00 -2.14 -0.88 -4.14 118.94 107.25 1sj5 s TRP 5 Ca 0.16 -0.36 -0.20 0.00 2.66 0.00 0.00 56.10 58.36 1sj5 s TRP 5 Cb -0.02 0.59 0.05 0.00 -3.10 0.00 0.00 33.47 31.00 1sj5 s TRP 5 CO 0.05 -1.18 0.68 0.08 -2.66 0.00 0.00 176.95 173.92 1sj5 s VAL 6 N -3.94 4.79 -0.06 -0.66 1.01 -1.26 0.93 120.40 121.21 1sj5 s VAL 6 Ca 0.13 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 1sj5 s VAL 6 Cb -0.05 -4.32 -0.22 0.00 0.00 0.00 0.00 36.38 31.79 1sj5 s VAL 6 CO 0.07 -0.82 1.07 0.50 0.00 0.00 0.00 175.10 175.92 1sj5 h LYS 7 N 9.02 0.07 -3.04 2.72 3.64 -1.05 -3.46 116.57 124.46 1sj5 h LYS 7 Ca -0.27 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1sj5 h LYS 7 Cb 1.09 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.80 1sj5 h LYS 7 CO 0.97 0.76 0.12 0.95 -2.27 0.00 0.00 179.45 179.98 1sj5 s THR 8 N -3.40 0.02 -0.66 1.00 -4.23 -1.19 -5.04 115.64 102.15 1sj5 s THR 8 Ca -0.17 -0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.15 1sj5 s THR 8 Cb 0.00 -1.04 0.17 0.00 1.34 0.00 0.00 72.50 72.97 1sj5 s THR 8 CO 0.70 -0.09 0.48 -0.22 -0.54 0.00 0.00 174.62 174.95 1sj5 s LEU 9 N -2.64 5.24 0.36 4.79 2.96 -1.26 -1.47 118.68 126.66 1sj5 s LEU 9 Ca 0.01 -3.00 0.00 0.00 -0.22 0.00 0.00 54.13 50.92 1sj5 s LEU 9 Cb -0.00 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1sj5 s LEU 9 CO -0.11 -0.33 0.57 0.00 -1.32 0.00 0.00 176.35 175.15 1sj5 s ALA 10 N -0.27 3.69 0.18 5.97 0.00 -0.56 -4.92 121.76 125.85 1sj5 s ALA 10 Ca 0.18 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1sj5 s ALA 10 Cb -0.19 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.74 1sj5 s ALA 10 CO -0.04 -0.06 0.46 -1.17 0.00 0.00 0.00 175.76 174.94 1sj5 s LEU 11 N -4.35 4.22 -0.56 0.00 2.96 -1.26 -0.24 118.68 119.44 1sj5 s LEU 11 Ca 0.41 0.74 -0.06 0.00 -0.22 0.00 0.00 54.13 54.99 1sj5 s LEU 11 Cb -0.10 -3.48 0.15 0.00 0.50 0.00 0.00 46.19 43.26 1sj5 s LEU 11 CO 0.37 -0.01 0.41 -0.62 -1.32 0.00 0.00 176.35 175.17 1sj5 s ASP 12 N -2.42 5.57 0.00 3.68 -1.08 -0.02 -4.83 116.67 117.57 1sj5 s ASP 12 Ca 0.44 -2.39 0.26 0.00 -0.52 0.00 0.00 52.55 50.33 1sj5 s ASP 12 Cb -0.12 -1.94 1.53 0.00 -1.46 0.00 0.00 42.92 40.94 1sj5 s ASP 12 CO 0.23 -0.53 1.95 -2.11 0.52 0.00 0.00 175.17 175.24 1sj5 n ARG 13 N 4.19 0.93 0.04 4.34 1.85 -1.26 0.68 116.66 127.43 1sj5 n ARG 13 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.84 1sj5 n ARG 13 Cb 0.40 -1.43 -0.01 0.00 -1.05 0.00 0.00 32.46 30.37 1sj5 n ARG 13 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1sj5 h VAL 14 N 0.00 0.00 -0.23 8.89 2.07 -1.96 -3.35 116.25 121.67 1sj5 h VAL 14 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1sj5 h VAL 14 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1sj5 h VAL 14 CO 0.00 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.35 1sj5 n SER 15 N -4.09 1.55 -2.67 0.57 2.88 -0.82 -4.91 113.62 106.12 1sj5 n SER 15 Ca -0.02 -1.84 -0.17 0.00 -1.33 0.00 0.00 58.87 55.51 1sj5 n SER 15 Cb 0.07 -0.15 -0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1sj5 n SER 15 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1sj5 n ASN 16 N 0.29 -4.50 -4.13 -3.46 2.85 0.21 -4.97 115.26 101.56 1sj5 n ASN 16 Ca 0.13 -0.01 -0.21 0.00 -0.11 0.00 0.00 54.58 54.38 1sj5 n ASN 16 Cb 0.28 -3.76 -0.14 0.00 1.24 0.00 0.00 39.78 37.39 1sj5 n ASN 16 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1sj5 s THR 17 N -2.82 1.11 0.38 -0.44 2.01 -0.84 -4.81 115.64 110.23 1sj5 s THR 17 Ca 0.11 -0.80 -0.28 0.00 0.31 0.00 0.00 61.69 61.03 1sj5 s THR 17 Cb -0.05 -0.97 -0.11 0.00 0.01 0.00 0.00 72.50 71.38 1sj5 s THR 17 CO 0.14 0.16 1.47 -2.84 -0.69 0.00 0.00 174.62 172.85 1sj5 s PRO 18 N -0.74 4.11 -0.10 4.92 0.02 -1.25 -0.84 135.00 141.13 1sj5 s PRO 18 Ca 0.04 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.61 1sj5 s PRO 18 Cb -0.07 -2.96 0.01 0.00 0.02 0.00 0.00 34.50 31.50 1sj5 s PRO 18 CO 0.00 -0.52 -0.17 0.08 -0.33 0.00 0.00 177.00 176.07 1sj5 s VAL 19 N -1.13 1.56 0.01 3.83 1.01 0.67 -2.55 120.40 123.79 1sj5 s VAL 19 Ca 0.53 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1sj5 s VAL 19 Cb -0.46 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1sj5 s VAL 19 CO 0.62 0.45 1.00 -0.69 0.00 0.00 0.00 175.10 176.48 1sj5 s VAL 20 N 0.73 4.80 -0.45 2.92 1.01 -0.34 -1.50 120.40 127.58 1sj5 s VAL 20 Ca -0.12 2.01 -0.05 0.00 0.00 0.00 0.00 61.98 63.82 1sj5 s VAL 20 Cb -0.16 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 32.05 1sj5 s VAL 20 CO 0.02 0.16 0.28 -0.63 0.00 0.00 0.00 175.10 174.93 1sj5 s ILE 21 N 1.01 3.69 -0.24 2.22 -1.09 -0.54 -0.86 121.20 125.39 1sj5 s ILE 21 Ca 0.52 -2.00 -0.26 0.00 -2.23 0.00 0.00 60.65 56.68 1sj5 s ILE 21 Cb -0.22 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1sj5 s ILE 21 CO 0.28 -0.74 0.90 -0.76 -1.23 0.00 0.00 174.94 173.39 1sj5 s LEU 22 N 1.16 4.08 0.83 2.97 1.43 -0.83 -0.40 118.68 127.93 1sj5 s LEU 22 Ca 0.08 1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 54.21 1sj5 s LEU 22 Cb -0.24 -3.31 0.09 0.00 0.03 0.00 0.00 46.19 42.77 1sj5 s LEU 22 CO -0.03 -0.57 1.11 -0.83 0.23 0.00 0.00 176.35 176.26 1sj5 s GLY 23 N 1.30 1.67 -0.30 -3.19 0.00 0.26 -2.13 107.32 104.94 1sj5 s GLY 23 Ca 0.38 0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.45 1sj5 s GLY 23 CO 0.07 0.72 0.05 -0.42 0.00 0.00 0.00 173.10 173.52 1sj5 s ILE 24 N -2.82 1.49 -0.08 0.90 -1.09 -1.25 -2.08 121.20 116.27 1sj5 s ILE 24 Ca 0.63 -1.67 -0.39 0.00 -2.23 0.00 0.00 60.65 56.99 1sj5 s ILE 24 Cb -0.19 -2.03 -0.18 0.00 -1.58 0.00 0.00 42.46 38.48 1sj5 s ILE 24 CO 0.57 -0.52 1.39 1.21 -1.23 0.00 0.00 174.94 176.36 1sj5 n GLU 25 N 4.61 0.73 -2.60 2.79 2.13 -1.06 -1.82 120.64 125.42 1sj5 n GLU 25 Ca -0.02 0.27 -0.08 0.00 0.66 0.00 0.00 57.16 57.98 1sj5 n GLU 25 Cb 0.43 -1.87 0.02 0.00 0.27 0.00 0.00 31.44 30.28 1sj5 n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sj5 n GLY 26 N 2.81 0.27 3.63 8.31 0.00 -1.26 -4.76 105.19 114.19 1sj5 n GLY 26 Ca 0.22 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1sj5 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sj5 s THR 27 N -2.82 0.00 -1.06 2.61 -4.23 -0.76 -5.07 115.64 104.31 1sj5 s THR 27 Ca 0.13 -1.34 0.09 0.00 -1.18 0.00 0.00 61.69 59.39 1sj5 s THR 27 Cb -0.06 -2.69 0.10 0.00 1.34 0.00 0.00 72.50 71.20 1sj5 s THR 27 CO 0.16 0.00 0.86 0.59 -0.54 0.00 0.00 174.62 175.69 1sj5 n ASN 28 N -1.33 1.94 -4.55 3.99 3.02 -1.26 -4.87 115.26 112.20 1sj5 n ASN 28 Ca -0.03 -1.49 -0.28 0.00 -0.03 0.00 0.00 54.58 52.75 1sj5 n ASN 28 Cb 0.61 -0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 1sj5 n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sj5 s ARG 29 N -0.80 2.00 0.30 3.52 0.52 -1.26 -4.45 118.95 118.78 1sj5 s ARG 29 Ca 0.12 -1.22 0.09 0.00 -0.52 0.00 0.00 55.73 54.20 1sj5 s ARG 29 Cb 0.08 -2.17 -0.06 0.00 0.52 0.00 0.00 34.95 33.32 1sj5 s ARG 29 CO 0.12 0.46 -0.10 0.14 0.02 0.00 0.00 175.30 175.93 1sj5 s VAL 30 N -1.51 2.01 -0.21 3.52 -7.23 -0.21 -3.83 120.40 112.94 1sj5 s VAL 30 Ca 0.23 -2.20 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1sj5 s VAL 30 Cb -0.10 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.39 1sj5 s VAL 30 CO 0.14 -0.29 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.27 1sj5 s LEU 31 N -3.51 2.62 -0.05 1.32 2.96 -0.91 -1.13 118.68 119.99 1sj5 s LEU 31 Ca 0.30 -0.95 -0.23 0.00 -0.22 0.00 0.00 54.13 53.04 1sj5 s LEU 31 Cb 0.02 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1sj5 s LEU 31 CO 0.14 -0.09 0.67 -2.16 -1.32 0.00 0.00 176.35 173.59 1sj5 s PRO 32 N 1.24 4.41 -0.13 0.98 0.04 -1.26 -1.96 135.00 138.33 1sj5 s PRO 32 Ca -0.01 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 61.87 1sj5 s PRO 32 Cb -0.16 -3.42 0.03 0.00 0.04 0.00 0.00 34.50 30.99 1sj5 s PRO 32 CO -0.09 0.16 -0.09 0.42 0.04 0.00 0.00 177.00 177.43 1sj5 s ILE 33 N 0.49 1.20 0.17 0.56 1.01 -0.04 -4.99 121.20 119.62 1sj5 s ILE 33 Ca 0.35 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 1sj5 s ILE 33 Cb -0.18 -1.20 -0.08 0.00 0.01 0.00 0.00 42.46 41.02 1sj5 s ILE 33 CO 0.18 0.38 0.92 0.26 0.00 0.00 0.00 174.94 176.68 1sj5 s TRP 34 N 1.63 3.90 0.09 3.97 0.51 -1.26 -1.19 118.94 126.59 1sj5 s TRP 34 Ca 0.05 1.82 0.02 0.00 -2.12 0.00 0.00 56.10 55.86 1sj5 s TRP 34 Cb -0.13 -2.98 -0.04 0.00 -0.81 0.00 0.00 33.47 29.52 1sj5 s TRP 34 CO -0.09 0.36 -0.07 0.96 -0.51 0.00 0.00 176.95 177.61 1sj5 s ILE 35 N -0.68 0.66 0.87 2.03 -4.36 -1.06 -4.96 121.20 113.71 1sj5 s ILE 35 Ca 0.42 -1.86 -0.12 0.00 -0.26 0.00 0.00 60.65 58.84 1sj5 s ILE 35 Cb -0.24 -1.59 0.12 0.00 1.25 0.00 0.00 42.46 42.00 1sj5 s ILE 35 CO 0.30 -0.84 1.10 -0.83 0.24 0.00 0.00 174.94 174.91 1sj5 s GLY 36 N -2.91 1.61 0.19 6.27 0.00 -1.26 -3.79 107.32 107.43 1sj5 s GLY 36 Ca 0.10 -0.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.52 1sj5 s GLY 36 CO -0.05 0.27 1.64 0.00 0.00 0.00 0.00 173.10 174.97 1sj5 h ALA 37 N -1.41 0.85 -0.82 3.20 0.00 -1.94 -0.44 119.26 118.69 1sj5 h ALA 37 Ca -0.49 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.16 1sj5 h ALA 37 Cb 1.29 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1sj5 h ALA 37 CO 0.58 0.66 0.54 0.00 0.00 0.00 0.00 179.25 181.02 1sj5 h ALA 38 N 1.02 1.64 0.04 0.00 0.00 -2.00 -1.46 119.26 118.49 1sj5 h ALA 38 Ca 0.15 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 1sj5 h ALA 38 Cb 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1sj5 h ALA 38 CO 0.04 0.22 -1.01 0.93 0.00 0.00 0.00 179.25 179.43 1sj5 h GLU 39 N 0.86 0.26 0.00 0.00 3.07 -1.68 -2.44 114.58 114.65 1sj5 h GLU 39 Ca 0.36 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1sj5 h GLU 39 Cb 0.29 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1sj5 h GLU 39 CO -0.13 1.08 0.00 0.78 -1.40 0.00 0.00 179.01 179.33 1sj5 h GLY 40 N 1.68 0.00 0.93 -3.84 0.00 -0.25 -0.74 103.07 100.84 1sj5 h GLY 40 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.90 1sj5 h GLY 40 CO 0.16 0.00 -1.75 0.84 0.00 0.00 0.00 176.54 175.79 1sj5 h HIS 41 N 0.00 0.73 -0.60 5.60 -0.00 -1.17 -0.48 115.15 119.23 1sj5 h HIS 41 Ca 0.00 -0.53 0.10 0.00 -0.00 0.00 0.00 60.37 59.94 1sj5 h HIS 41 Cb 0.58 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 27.88 1sj5 h HIS 41 CO 0.00 1.68 0.19 0.00 -0.00 0.00 0.00 177.93 179.80 1sj5 h ALA 42 N 0.12 0.76 -0.00 5.26 0.00 -1.13 -1.21 119.26 123.05 1sj5 h ALA 42 Ca -0.34 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sj5 h ALA 42 Cb 2.10 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1sj5 h ALA 42 CO 0.18 -0.24 -0.01 1.25 0.00 0.00 0.00 179.25 180.43 1sj5 h LEU 43 N 0.35 0.01 -1.00 0.00 5.85 -1.13 -2.60 115.31 116.79 1sj5 h LEU 43 Ca 0.31 -0.57 0.31 0.00 0.84 0.00 0.00 57.88 58.77 1sj5 h LEU 43 Cb 0.42 -0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.30 1sj5 h LEU 43 CO -0.34 0.58 0.57 0.00 -0.34 0.00 0.00 178.44 178.91 1sj5 h ALA 44 N 0.43 1.92 -0.18 1.25 0.00 -0.96 0.26 119.26 121.99 1sj5 h ALA 44 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1sj5 h ALA 44 Cb 0.58 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1sj5 h ALA 44 CO 0.00 -0.53 -0.37 -0.07 0.00 0.00 0.00 179.25 178.28 1sj5 h LEU 45 N 0.36 0.42 -0.10 0.00 3.38 -0.84 -0.71 115.31 117.81 1sj5 h LEU 45 Ca 0.72 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.42 1sj5 h LEU 45 Cb 1.61 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1sj5 h LEU 45 CO -0.59 0.76 -0.35 0.00 0.09 0.00 0.00 178.44 178.35 1sj5 h ALA 46 N 1.27 0.18 -0.29 1.53 0.00 -1.08 -2.38 119.26 118.49 1sj5 h ALA 46 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1sj5 h ALA 46 Cb 0.81 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1sj5 h ALA 46 CO 0.07 0.24 0.13 0.52 0.00 0.00 0.00 179.25 180.21 1sj5 h MET 47 N -0.03 0.43 -0.51 0.00 2.86 -0.78 0.10 114.93 117.00 1sj5 h MET 47 Ca -0.01 -0.07 0.15 0.00 -2.06 0.00 0.00 59.70 57.70 1sj5 h MET 47 Cb 0.98 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1sj5 h MET 47 CO 0.07 0.43 0.39 0.93 1.06 0.00 0.00 176.91 179.79 1sj5 h GLU 48 N 0.33 0.00 -5.41 1.72 4.39 -1.21 -3.47 114.58 110.94 1sj5 h GLU 48 Ca 0.10 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1sj5 h GLU 48 Cb 0.15 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1sj5 h GLU 48 CO -0.01 0.00 -0.12 1.17 -1.16 0.00 0.00 179.01 178.89 1sj5 n LYS 49 N -4.24 -1.43 -4.13 2.33 4.81 0.35 -5.00 118.16 110.85 1sj5 n LYS 49 Ca 0.09 1.41 -0.11 0.00 -0.87 0.00 0.00 58.31 58.83 1sj5 n LYS 49 Cb 0.61 -5.71 -0.08 0.00 0.02 0.00 0.00 35.03 29.86 1sj5 n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sj5 s MET 50 N -3.21 1.32 0.02 1.64 0.23 -1.24 -5.07 119.30 113.01 1sj5 s MET 50 Ca 0.05 -1.50 -0.25 0.00 -1.03 0.00 0.00 55.69 52.96 1sj5 s MET 50 Cb -0.01 0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 33.58 1sj5 s MET 50 CO 0.75 -0.48 0.79 -1.21 -2.03 0.00 0.00 175.02 172.84 1sj5 s GLU 51 N -4.11 4.51 0.26 3.16 0.41 -1.26 -4.98 118.70 116.69 1sj5 s GLU 51 Ca 0.33 1.09 0.11 0.00 -0.41 0.00 0.00 54.97 56.10 1sj5 s GLU 51 Cb 0.04 -3.39 -0.05 0.00 -1.78 0.00 0.00 34.13 28.95 1sj5 s GLU 51 CO 0.11 0.21 -0.19 -0.06 -0.49 0.00 0.00 175.26 174.83 1sj5 s PHE 52 N 0.21 2.18 -0.02 1.61 0.08 -1.26 -5.06 117.98 115.72 1sj5 s PHE 52 Ca 0.40 -0.37 0.24 0.00 0.12 0.00 0.00 56.93 57.31 1sj5 s PHE 52 Cb -0.20 -0.96 0.73 0.00 -0.57 0.00 0.00 43.02 42.02 1sj5 s PHE 52 CO 0.23 0.65 1.74 -1.35 -0.10 0.00 0.00 175.22 176.39 1sj5 h PRO 53 N 2.36 0.00 -6.29 0.24 0.11 -2.08 -3.44 132.00 122.90 1sj5 h PRO 53 Ca -0.40 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.03 1sj5 h PRO 53 Cb 1.25 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.16 1sj5 h PRO 53 CO 0.60 0.20 -0.73 1.03 -0.21 0.00 0.00 178.00 178.89 1sj5 s ARG 54 N -3.45 2.53 -0.16 1.05 1.81 -1.26 -5.09 118.95 114.39 1sj5 s ARG 54 Ca 0.02 -0.70 -0.29 0.00 -1.72 0.00 0.00 55.73 53.04 1sj5 s ARG 54 Cb 0.09 -2.45 -0.02 0.00 -0.45 0.00 0.00 34.95 32.12 1sj5 s ARG 54 CO 0.65 0.62 1.28 -1.25 -0.68 0.00 0.00 175.30 175.91 1sj5 s PRO 55 N -1.06 4.23 0.97 3.54 0.04 -1.26 -5.02 135.00 136.44 1sj5 s PRO 55 Ca 0.14 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 1sj5 s PRO 55 Cb -0.11 -3.77 0.17 0.00 0.04 0.00 0.00 34.50 30.83 1sj5 s PRO 55 CO 0.04 -0.71 1.10 -0.51 0.04 0.00 0.00 177.00 176.96 1sj5 s LEU 56 N 3.51 1.76 0.22 -3.56 1.43 -1.26 -4.62 118.68 116.15 1sj5 s LEU 56 Ca 0.55 1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 54.73 1sj5 s LEU 56 Cb -0.22 -3.40 0.33 0.00 0.03 0.00 0.00 46.19 42.94 1sj5 s LEU 56 CO 0.15 -2.94 1.72 0.74 0.23 0.00 0.00 176.35 176.25 1sj5 h THR 57 N -1.76 0.67 -0.08 5.49 2.02 -1.98 0.58 112.91 117.84 1sj5 h THR 57 Ca -0.53 -0.12 -0.15 0.00 0.77 0.00 0.00 66.41 66.38 1sj5 h THR 57 Cb 1.33 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1sj5 h THR 57 CO 0.58 0.06 -0.61 0.45 0.37 0.00 0.00 175.52 176.38 1sj5 h HIS 58 N 0.34 0.37 -0.21 3.16 3.86 -1.99 0.38 115.15 121.06 1sj5 h HIS 58 Ca 0.34 -0.14 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1sj5 h HIS 58 Cb 0.49 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1sj5 h HIS 58 CO -0.21 0.82 -0.11 -0.44 0.86 0.00 0.00 177.93 178.85 1sj5 h ASP 59 N 0.21 0.31 0.09 2.45 3.32 -1.55 -1.65 116.42 119.60 1sj5 h ASP 59 Ca -0.01 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1sj5 h ASP 59 Cb 1.12 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1sj5 h ASP 59 CO 0.10 0.46 -0.04 0.25 -1.72 0.00 0.00 179.24 178.28 1sj5 h LEU 60 N 0.31 -0.11 -0.61 1.55 5.85 0.21 -1.76 115.31 120.76 1sj5 h LEU 60 Ca 0.06 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1sj5 h LEU 60 Cb 0.40 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1sj5 h LEU 60 CO 0.02 0.00 0.40 0.25 -0.34 0.00 0.00 178.44 178.77 1sj5 h LEU 61 N -0.21 0.68 -0.79 2.25 6.46 -0.88 0.07 115.31 122.90 1sj5 h LEU 61 Ca -0.01 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.65 1sj5 h LEU 61 Cb 0.17 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1sj5 h LEU 61 CO 0.02 0.49 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.24 1sj5 h LEU 62 N 0.81 0.87 -1.50 2.25 3.38 -1.33 -1.07 115.31 118.72 1sj5 h LEU 62 Ca 0.23 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1sj5 h LEU 62 Cb -0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1sj5 h LEU 62 CO -0.06 0.95 -0.22 0.28 0.09 0.00 0.00 178.44 179.48 1sj5 h SER 63 N 0.83 0.05 -0.02 -0.43 0.02 -0.15 0.09 113.55 113.93 1sj5 h SER 63 Ca 0.15 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1sj5 h SER 63 Cb 0.52 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1sj5 h SER 63 CO 0.03 0.27 0.00 0.58 -1.14 0.00 0.00 176.83 176.57 1sj5 h VAL 64 N 0.05 1.23 -0.80 2.27 2.07 -0.46 -2.87 116.25 117.74 1sj5 h VAL 64 Ca 0.01 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 66.94 1sj5 h VAL 64 Cb 0.41 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1sj5 h VAL 64 CO 0.03 0.18 0.43 -0.07 0.02 0.00 0.00 177.57 178.16 1sj5 h LEU 65 N -0.25 0.57 0.37 2.57 3.38 -0.00 -2.02 115.31 119.93 1sj5 h LEU 65 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1sj5 h LEU 65 Cb 0.30 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1sj5 h LEU 65 CO 0.00 0.31 -0.47 -0.08 0.09 0.00 0.00 178.44 178.29 1sj5 h GLU 66 N 0.69 -0.83 -0.07 1.13 4.81 -1.00 -1.59 114.58 117.72 1sj5 h GLU 66 Ca 0.40 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1sj5 h GLU 66 Cb 0.44 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 1sj5 h GLU 66 CO -0.28 -0.55 0.06 0.66 -0.73 0.00 0.00 179.01 178.17 1sj5 h SER 67 N -0.86 0.00 -0.98 1.04 4.64 -1.15 -0.74 113.55 115.50 1sj5 h SER 67 Ca -0.04 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.74 1sj5 h SER 67 Cb 0.77 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.56 1sj5 h SER 67 CO -0.11 0.00 0.68 0.18 -0.87 0.00 0.00 176.83 176.71 1sj5 n LEU 68 N -4.18 6.85 -3.64 5.97 4.77 -0.97 -4.92 117.00 120.87 1sj5 n LEU 68 Ca -0.01 -3.68 -0.31 0.00 -0.03 0.00 0.00 56.01 51.98 1sj5 n LEU 68 Cb 0.16 -0.86 0.02 0.00 -2.33 0.00 0.00 43.42 40.41 1sj5 n LEU 68 CO 0.31 1.11 -0.26 -0.62 -1.33 0.00 0.00 177.39 176.60 1sj5 n GLU 69 N -1.08 -1.67 -3.43 3.23 1.02 -0.28 -4.89 120.64 113.54 1sj5 n GLU 69 Ca 0.59 1.00 -0.12 0.00 -0.02 0.00 0.00 57.16 58.61 1sj5 n GLU 69 Cb 1.50 -2.06 -0.02 0.00 -0.02 0.00 0.00 31.44 30.83 1sj5 n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sj5 s ALA 70 N -2.31 -1.61 0.19 0.62 0.00 -0.63 -2.67 121.76 115.34 1sj5 s ALA 70 Ca 0.16 0.54 -0.23 0.00 0.00 0.00 0.00 51.96 52.43 1sj5 s ALA 70 Cb -0.02 0.84 0.06 0.00 0.00 0.00 0.00 23.12 24.00 1sj5 s ALA 70 CO 0.87 -0.75 0.64 -0.98 0.00 0.00 0.00 175.76 175.54 1sj5 s ARG 71 N -3.63 1.41 -0.05 0.00 1.70 -1.13 -3.87 118.95 113.38 1sj5 s ARG 71 Ca 0.01 -0.61 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 1sj5 s ARG 71 Cb -0.01 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 1sj5 s ARG 71 CO -0.12 -0.63 1.42 0.08 -1.08 0.00 0.00 175.30 174.97 1sj5 s VAL 72 N -3.78 3.82 -0.17 4.99 1.01 -1.26 -0.96 120.40 124.04 1sj5 s VAL 72 Ca 0.04 1.12 -0.13 0.00 0.00 0.00 0.00 61.98 63.01 1sj5 s VAL 72 Cb -0.02 -3.72 -0.22 0.00 0.00 0.00 0.00 36.38 32.41 1sj5 s VAL 72 CO -0.07 -0.04 0.22 -0.67 0.00 0.00 0.00 175.10 174.54 1sj5 n ASP 73 N 6.01 2.00 -3.54 3.32 2.03 -0.70 -4.88 116.55 120.79 1sj5 n ASP 73 Ca 0.14 0.29 -0.01 0.00 0.52 0.00 0.00 54.79 55.73 1sj5 n ASP 73 Cb 0.44 -0.88 0.02 0.00 -0.72 0.00 0.00 41.12 39.97 1sj5 n ASP 73 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1sj5 s LYS 74 N -2.47 0.94 -0.13 -0.67 -2.85 -1.11 -4.35 119.74 109.09 1sj5 s LYS 74 Ca -0.27 -0.61 -0.08 0.00 -1.00 0.00 0.00 55.97 54.01 1sj5 s LYS 74 Cb 0.07 0.26 0.05 0.00 -2.06 0.00 0.00 37.83 36.15 1sj5 s LYS 74 CO 0.67 -0.44 0.33 0.08 0.10 0.00 0.00 175.35 176.08 1sj5 s VAL 75 N -2.05 -0.03 -0.03 1.79 1.01 -0.90 -1.92 120.40 118.28 1sj5 s VAL 75 Ca 0.26 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1sj5 s VAL 75 Cb -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1sj5 s VAL 75 CO 0.03 0.04 -0.09 -0.63 0.00 0.00 0.00 175.10 174.45 1sj5 s ILE 76 N 1.13 0.79 -0.85 2.22 1.01 -0.10 -1.42 121.20 123.98 1sj5 s ILE 76 Ca -0.08 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 1sj5 s ILE 76 Cb -0.08 -0.71 0.21 0.00 0.01 0.00 0.00 42.46 41.89 1sj5 s ILE 76 CO -0.09 0.25 0.82 -0.63 0.00 0.00 0.00 174.94 175.29 1sj5 s ILE 77 N 0.22 5.53 0.04 2.92 1.01 -1.15 0.38 121.20 130.14 1sj5 s ILE 77 Ca -0.04 -2.40 -0.05 0.00 0.00 0.00 0.00 60.65 58.17 1sj5 s ILE 77 Cb -0.09 -4.51 -0.29 0.00 0.01 0.00 0.00 42.46 37.59 1sj5 s ILE 77 CO 0.01 -1.09 1.00 1.12 0.00 0.00 0.00 174.94 175.97 1sj5 h HIS 78 N 7.87 0.51 -4.23 3.97 2.07 -1.19 -3.12 115.15 121.02 1sj5 h HIS 78 Ca 0.12 -0.37 -0.12 0.00 -2.85 0.00 0.00 60.37 57.14 1sj5 h HIS 78 Cb 1.03 -0.02 -0.15 0.00 2.57 0.00 0.00 27.41 30.84 1sj5 h HIS 78 CO 1.05 1.35 -0.67 -1.12 -3.07 0.00 0.00 177.93 175.47 1sj5 s SER 79 N -7.10 0.47 -0.28 3.10 0.01 -1.11 -4.72 113.70 104.07 1sj5 s SER 79 Ca -0.07 -0.99 -0.01 0.00 1.31 0.00 0.00 55.95 56.19 1sj5 s SER 79 Cb 0.07 0.21 0.13 0.00 0.21 0.00 0.00 66.02 66.63 1sj5 s SER 79 CO 0.87 -0.61 0.27 -0.22 0.41 0.00 0.00 173.24 173.96 1sj5 s LEU 80 N -2.92 -0.13 -0.13 2.44 2.96 -1.26 -1.16 118.68 118.49 1sj5 s LEU 80 Ca 0.07 -0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1sj5 s LEU 80 Cb 0.08 0.38 -0.02 0.00 0.50 0.00 0.00 46.19 47.13 1sj5 s LEU 80 CO -0.10 -0.39 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.93 1sj5 s LYS 81 N 2.32 3.39 -0.45 1.98 3.01 -1.13 -4.85 119.74 124.01 1sj5 s LYS 81 Ca 0.09 -0.58 -0.33 0.00 -1.01 0.00 0.00 55.97 54.14 1sj5 s LYS 81 Cb -0.14 -2.75 0.05 0.00 -1.01 0.00 0.00 37.83 33.97 1sj5 s LYS 81 CO -0.32 0.32 0.65 -0.25 0.51 0.00 0.00 175.35 176.26 1sj5 n ASP 82 N 3.26 -6.09 -3.21 2.83 8.00 -1.26 -2.95 116.55 117.14 1sj5 n ASP 82 Ca -0.18 -0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.17 1sj5 n ASP 82 Cb 0.53 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.04 1sj5 n ASP 82 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sj5 n ASN 83 N -0.27 -1.29 -3.72 -2.24 5.03 -1.26 -4.85 115.26 106.66 1sj5 n ASN 83 Ca -0.04 -0.10 -0.17 0.00 0.87 0.00 0.00 54.58 55.13 1sj5 n ASN 83 Cb 0.63 -1.21 -0.17 0.00 -1.02 0.00 0.00 39.78 38.02 1sj5 n ASN 83 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1sj5 s THR 84 N -2.43 -0.09 0.11 3.41 2.01 -1.15 -5.06 115.64 112.44 1sj5 s THR 84 Ca 0.29 0.31 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 1sj5 s THR 84 Cb -0.17 -0.13 -0.06 0.00 0.01 0.00 0.00 72.50 72.15 1sj5 s THR 84 CO 0.35 0.13 0.45 -0.36 -0.69 0.00 0.00 174.62 174.50 1sj5 s PHE 85 N 1.59 3.58 -0.13 4.92 0.08 -1.26 -2.82 117.98 123.94 1sj5 s PHE 85 Ca -0.03 0.86 0.01 0.00 0.12 0.00 0.00 56.93 57.89 1sj5 s PHE 85 Cb -0.12 -2.22 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1sj5 s PHE 85 CO -0.03 0.48 -0.13 0.71 -0.10 0.00 0.00 175.22 176.15 1sj5 s TYR 86 N -1.44 1.93 0.49 0.36 1.51 -0.31 -4.41 117.35 115.48 1sj5 s TYR 86 Ca 0.35 -1.01 0.05 0.00 -1.01 0.00 0.00 57.07 55.45 1sj5 s TYR 86 Cb -0.14 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1sj5 s TYR 86 CO 0.19 -0.58 0.22 0.00 -1.11 0.00 0.00 175.55 174.27 1sj5 s ALA 87 N 1.40 4.04 -0.23 3.71 0.00 -0.71 -0.61 121.76 129.36 1sj5 s ALA 87 Ca 0.02 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 1sj5 s ALA 87 Cb -0.13 -0.41 0.11 0.00 0.00 0.00 0.00 23.12 22.69 1sj5 s ALA 87 CO -0.08 -0.24 0.28 0.99 0.00 0.00 0.00 175.76 176.71 1sj5 s THR 88 N -2.73 -0.41 -0.22 0.00 2.01 0.16 -2.87 115.64 111.57 1sj5 s THR 88 Ca 0.30 -0.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 1sj5 s THR 88 Cb 0.01 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1sj5 s THR 88 CO 0.17 -0.23 1.48 -0.22 -0.69 0.00 0.00 174.62 175.13 1sj5 s LEU 89 N 2.39 3.96 -0.35 4.42 2.96 -0.59 -0.93 118.68 130.54 1sj5 s LEU 89 Ca 0.09 1.55 -0.12 0.00 -0.22 0.00 0.00 54.13 55.43 1sj5 s LEU 89 Cb -0.15 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.00 1sj5 s LEU 89 CO -0.17 -1.11 0.23 -0.69 -1.32 0.00 0.00 176.35 173.29 1sj5 s VAL 90 N 4.63 5.06 0.22 1.68 1.01 -0.81 -1.35 120.40 130.85 1sj5 s VAL 90 Ca 0.65 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 1sj5 s VAL 90 Cb -0.23 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1sj5 s VAL 90 CO 0.25 -0.09 0.41 -0.63 0.00 0.00 0.00 175.10 175.04 1sj5 s ILE 91 N 1.67 5.19 -0.12 2.22 -1.09 -0.86 -1.72 121.20 126.50 1sj5 s ILE 91 Ca 0.05 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1sj5 s ILE 91 Cb -0.18 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.93 1sj5 s ILE 91 CO 0.09 -0.22 -0.15 -0.60 -1.23 0.00 0.00 174.94 172.83 1sj5 s ARG 92 N -3.47 3.25 -0.37 2.79 3.52 -0.14 -1.16 118.95 123.38 1sj5 s ARG 92 Ca 0.38 -0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 54.98 1sj5 s ARG 92 Cb -0.11 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 1sj5 s ARG 92 CO 0.30 0.25 1.40 0.34 -0.81 0.00 0.00 175.30 176.78 1sj5 s ASP 93 N 0.25 6.42 0.00 -2.12 -1.08 -1.17 -2.82 116.67 116.14 1sj5 s ASP 93 Ca -0.10 0.99 0.18 0.00 -0.52 0.00 0.00 52.55 53.10 1sj5 s ASP 93 Cb -0.16 -2.54 0.84 0.00 -1.46 0.00 0.00 42.92 39.61 1sj5 s ASP 93 CO 0.06 -1.33 1.58 0.18 0.52 0.00 0.00 175.17 176.17 1sj5 n LEU 94 N 8.51 0.87 -0.51 -1.34 4.77 -1.09 -2.32 117.00 125.90 1sj5 n LEU 94 Ca 0.16 -0.37 0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1sj5 n LEU 94 Cb 0.47 -0.06 0.48 0.00 -2.33 0.00 0.00 43.42 41.98 1sj5 n LEU 94 CO 0.68 0.19 0.84 0.35 -1.33 0.00 0.00 177.39 178.12 1sj5 n THR 95 N -0.19 0.06 -1.07 -5.08 -2.24 -1.26 -4.94 114.28 99.58 1sj5 n THR 95 Ca 0.14 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1sj5 n THR 95 Cb 0.20 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1sj5 n THR 95 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1sj5 n TYR 96 N 0.23 -2.94 0.04 4.78 4.02 -0.98 -5.23 117.16 117.08 1sj5 n TYR 96 Ca 0.18 1.57 0.00 0.00 -0.01 0.00 0.00 57.90 59.65 1sj5 n TYR 96 Cb 0.35 -2.66 0.00 0.00 -0.02 0.00 0.00 39.34 37.01 1sj5 n TYR 96 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1sj5 n GLU 102 N -1.40 0.00 -0.11 -0.72 1.02 -1.26 -4.81 120.64 113.37 1sj5 n GLU 102 Ca 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.32 1sj5 n GLU 102 Cb 0.11 -0.10 0.59 0.00 -0.02 0.00 0.00 31.44 32.02 1sj5 n GLU 102 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1sj5 h GLU 103 N 0.00 0.23 0.00 3.49 9.09 -2.01 -1.92 114.58 123.46 1sj5 h GLU 103 Ca 0.00 -0.01 -0.18 0.00 0.05 0.00 0.00 59.36 59.22 1sj5 h GLU 103 Cb 0.00 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 27.02 1sj5 h GLU 103 CO 0.00 0.15 -0.86 0.00 0.05 0.00 0.00 179.01 178.35 1sj5 h ALA 104 N 1.67 0.46 0.00 1.06 0.00 -2.04 -3.31 119.26 117.10 1sj5 h ALA 104 Ca 0.34 -0.78 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 1sj5 h ALA 104 Cb 0.98 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1sj5 h ALA 104 CO -0.07 1.07 0.25 0.00 0.00 0.00 0.00 179.25 180.50 1sj5 n ALA 105 N -2.32 6.34 -2.41 0.00 0.00 -0.72 -4.83 120.51 116.57 1sj5 n ALA 105 Ca 0.00 -2.00 -0.28 0.00 0.00 0.00 0.00 53.44 51.16 1sj5 n ALA 105 Cb 0.87 -2.47 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 1sj5 n ALA 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sj5 s LEU 106 N 0.02 2.28 -0.17 0.00 1.43 -1.25 -3.03 118.68 117.95 1sj5 s LEU 106 Ca 0.65 -0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1sj5 s LEU 106 Cb 0.29 -1.16 -0.00 0.00 0.03 0.00 0.00 46.19 45.34 1sj5 s LEU 106 CO -0.01 0.18 -0.12 -0.63 0.23 0.00 0.00 176.35 176.00 1sj5 s ILE 107 N -1.01 2.86 -0.77 -0.59 1.01 -0.31 -4.98 121.20 117.41 1sj5 s ILE 107 Ca 0.12 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 1sj5 s ILE 107 Cb -0.10 -2.24 0.19 0.00 0.01 0.00 0.00 42.46 40.33 1sj5 s ILE 107 CO 0.05 0.49 0.74 -1.81 0.00 0.00 0.00 174.94 174.41 1sj5 s ASP 108 N 1.00 6.64 -0.07 3.58 1.01 -1.26 -2.03 116.67 125.54 1sj5 s ASP 108 Ca -0.01 -2.46 -0.14 0.00 0.71 0.00 0.00 52.55 50.65 1sj5 s ASP 108 Cb -0.15 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1sj5 s ASP 108 CO -0.02 -0.67 0.37 -0.63 0.21 0.00 0.00 175.17 174.43 1sj5 s ILE 109 N 0.63 5.17 0.15 0.77 1.01 -0.46 -5.00 121.20 123.48 1sj5 s ILE 109 Ca 0.16 0.73 -0.26 0.00 0.00 0.00 0.00 60.65 61.27 1sj5 s ILE 109 Cb -0.14 -3.68 -0.08 0.00 0.01 0.00 0.00 42.46 38.58 1sj5 s ILE 109 CO -0.06 0.50 0.81 -0.62 0.00 0.00 0.00 174.94 175.56 1sj5 s ASP 110 N -0.43 7.40 -0.02 3.58 2.15 -1.26 -1.54 116.67 126.55 1sj5 s ASP 110 Ca 0.22 1.66 -0.25 0.00 0.43 0.00 0.00 52.55 54.61 1sj5 s ASP 110 Cb -0.15 -2.51 0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1sj5 s ASP 110 CO 0.10 0.16 0.55 -0.55 -0.17 0.00 0.00 175.17 175.25 1sj5 s SER 111 N -0.91 -0.49 0.67 -0.34 0.15 -1.14 -4.85 113.70 106.79 1sj5 s SER 111 Ca 0.37 0.43 -0.15 0.00 0.70 0.00 0.00 55.95 57.30 1sj5 s SER 111 Cb -0.23 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1sj5 s SER 111 CO 0.27 -0.60 1.12 -0.13 1.20 0.00 0.00 173.24 175.09 1sj5 s ARG 112 N -1.54 2.74 0.31 5.44 0.52 -1.26 -1.73 118.95 123.43 1sj5 s ARG 112 Ca -0.10 1.41 0.01 0.00 -0.52 0.00 0.00 55.73 56.53 1sj5 s ARG 112 Cb -0.01 -1.94 0.52 0.00 0.52 0.00 0.00 34.95 34.03 1sj5 s ARG 112 CO 0.06 -1.30 1.90 -1.00 0.02 0.00 0.00 175.30 174.97 1sj5 h PRO 113 N -0.02 0.77 -0.03 3.54 0.13 -1.93 -1.40 132.00 133.06 1sj5 h PRO 113 Ca -0.47 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1sj5 h PRO 113 Cb 1.25 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1sj5 h PRO 113 CO 0.54 0.65 -0.13 0.77 -0.23 0.00 0.00 178.00 179.59 1sj5 h SER 114 N 0.76 -0.42 0.44 1.44 0.02 -1.93 -0.02 113.55 113.85 1sj5 h SER 114 Ca 0.18 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1sj5 h SER 114 Cb 0.17 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1sj5 h SER 114 CO -0.02 -0.12 -0.16 0.44 -1.14 0.00 0.00 176.83 175.83 1sj5 h ASP 115 N -0.15 0.00 0.47 3.07 3.32 -1.94 -1.04 116.42 120.15 1sj5 h ASP 115 Ca 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1sj5 h ASP 115 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1sj5 h ASP 115 CO -0.10 0.16 -0.23 0.00 -1.72 0.00 0.00 179.24 177.35 1sj5 h ALA 116 N 1.84 -0.73 -0.63 3.45 0.00 -0.96 -2.66 119.26 119.57 1sj5 h ALA 116 Ca -0.00 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1sj5 h ALA 116 Cb 0.43 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1sj5 h ALA 116 CO 0.02 -0.68 0.05 0.82 0.00 0.00 0.00 179.25 179.46 1sj5 h ILE 117 N -1.01 0.52 -0.24 0.00 2.04 -0.87 -0.85 117.51 117.10 1sj5 h ILE 117 Ca -0.07 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1sj5 h ILE 117 Cb 0.49 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1sj5 h ILE 117 CO 0.11 0.03 -0.07 0.40 0.00 0.00 0.00 178.15 178.61 1sj5 h ILE 118 N 0.16 0.73 0.00 -0.67 2.04 -1.24 -1.12 117.51 117.41 1sj5 h ILE 118 Ca 0.34 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.17 1sj5 h ILE 118 Cb 0.55 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1sj5 h ILE 118 CO -0.51 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 177.47 1sj5 h LEU 119 N -0.03 0.00 -0.01 1.44 3.38 -0.83 -2.25 115.31 117.02 1sj5 h LEU 119 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1sj5 h LEU 119 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1sj5 h LEU 119 CO -0.26 0.10 -0.52 0.00 0.09 0.00 0.00 178.44 177.86 1sj5 h ALA 120 N 1.90 0.07 -0.81 1.53 0.00 -0.32 -3.02 119.26 118.60 1sj5 h ALA 120 Ca -0.00 -0.54 0.09 0.00 0.00 0.00 0.00 54.91 54.46 1sj5 h ALA 120 Cb 0.35 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1sj5 h ALA 120 CO 0.01 0.30 0.46 0.28 0.00 0.00 0.00 179.25 180.30 1sj5 h VAL 121 N -0.18 0.91 -0.06 0.00 2.07 -1.06 0.31 116.25 118.25 1sj5 h VAL 121 Ca -0.06 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 1sj5 h VAL 121 Cb 1.24 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1sj5 h VAL 121 CO 0.10 0.14 -0.49 0.11 0.02 0.00 0.00 177.57 177.45 1sj5 h LYS 122 N 0.78 0.14 0.00 1.57 1.57 -1.43 -3.19 116.57 116.01 1sj5 h LYS 122 Ca 0.39 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1sj5 h LYS 122 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1sj5 h LYS 122 CO -0.25 0.61 -1.85 0.25 -0.57 0.00 0.00 179.45 177.64 1sj5 n THR 123 N -3.96 0.21 -0.67 -0.16 -2.24 -0.83 -4.99 114.28 101.65 1sj5 n THR 123 Ca -0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1sj5 n THR 123 Cb 0.53 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1sj5 n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sj5 n GLY 124 N 1.28 0.59 3.89 3.38 0.00 0.10 -5.07 105.19 109.36 1sj5 n GLY 124 Ca -0.05 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 1sj5 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj5 s ALA 125 N -2.00 3.72 0.06 4.61 0.00 -0.89 -5.03 121.76 122.24 1sj5 s ALA 125 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 1sj5 s ALA 125 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 1sj5 s ALA 125 CO 0.00 0.62 1.16 -1.25 0.00 0.00 0.00 175.76 176.29 1sj5 s PRO 126 N -2.65 4.46 -0.05 0.00 0.04 -1.26 -4.67 135.00 130.86 1sj5 s PRO 126 Ca 0.42 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 63.02 1sj5 s PRO 126 Cb -0.12 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 1sj5 s PRO 126 CO 0.23 -0.20 0.45 0.42 0.04 0.00 0.00 177.00 177.93 1sj5 s ILE 127 N 0.95 5.08 0.37 0.56 1.01 -1.26 -2.11 121.20 125.80 1sj5 s ILE 127 Ca 0.57 0.91 0.07 0.00 0.00 0.00 0.00 60.65 62.19 1sj5 s ILE 127 Cb -0.28 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 1sj5 s ILE 127 CO 0.30 0.46 0.00 -0.36 0.00 0.00 0.00 174.94 175.33 1sj5 s PHE 128 N -0.25 2.34 -0.00 3.97 0.40 -0.51 -0.45 117.98 123.47 1sj5 s PHE 128 Ca 0.25 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1sj5 s PHE 128 Cb -0.16 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 1sj5 s PHE 128 CO 0.12 0.35 -0.07 0.08 0.70 0.00 0.00 175.22 176.41 1sj5 s VAL 129 N -2.85 0.52 0.14 -0.44 1.01 0.58 -2.92 120.40 116.44 1sj5 s VAL 129 Ca 0.35 -0.35 -0.33 0.00 0.00 0.00 0.00 61.98 61.65 1sj5 s VAL 129 Cb 0.08 -0.45 -0.13 0.00 0.00 0.00 0.00 36.38 35.88 1sj5 s VAL 129 CO 0.17 0.10 1.67 -1.54 0.00 0.00 0.00 175.10 175.50 1sj5 n SER 130 N 2.79 3.41 -0.24 3.32 3.41 -1.18 0.05 113.62 125.18 1sj5 n SER 130 Ca -0.14 1.06 0.06 0.00 -0.26 0.00 0.00 58.87 59.59 1sj5 n SER 130 Cb 0.58 -1.46 0.13 0.00 -0.26 0.00 0.00 64.21 63.19 1sj5 n SER 130 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sj5 n ASP 131 N 4.13 -0.20 -0.19 4.04 9.92 -0.67 -1.58 116.55 131.99 1sj5 n ASP 131 Ca 0.18 1.17 -0.06 0.00 -0.53 0.00 0.00 54.79 55.55 1sj5 n ASP 131 Cb 0.31 -0.38 -0.01 0.00 -0.64 0.00 0.00 41.12 40.41 1sj5 n ASP 131 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1sj5 h ASN 132 N 0.00 -1.23 0.07 -2.24 -0.73 -1.90 -1.66 115.58 107.90 1sj5 h ASN 132 Ca 0.36 0.23 -0.00 0.00 1.87 0.00 0.00 56.30 58.75 1sj5 h ASN 132 Cb 0.61 0.59 0.00 0.00 0.27 0.00 0.00 38.32 39.79 1sj5 h ASN 132 CO -0.69 -0.31 -0.04 -0.07 -0.37 0.00 0.00 177.43 175.95 1sj5 h LEU 133 N -0.19 -0.08 -0.81 0.34 3.38 -1.59 -3.01 115.31 113.34 1sj5 h LEU 133 Ca 0.21 -0.34 0.18 0.00 0.09 0.00 0.00 57.88 58.03 1sj5 h LEU 133 Cb 0.55 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.18 1sj5 h LEU 133 CO -0.66 0.30 -0.07 0.58 0.09 0.00 0.00 178.44 178.68 1sj5 h VAL 134 N -0.48 0.23 0.01 1.22 2.07 -1.37 0.41 116.25 118.33 1sj5 h VAL 134 Ca -0.01 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1sj5 h VAL 134 Cb 0.42 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1sj5 h VAL 134 CO 0.02 0.01 -0.16 -0.08 0.02 0.00 0.00 177.57 177.37 1sj5 h GLU 135 N 0.05 -0.26 0.11 1.57 4.81 -1.17 -2.88 114.58 116.81 1sj5 h GLU 135 Ca 0.43 0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 59.38 1sj5 h GLU 135 Cb 0.75 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1sj5 h GLU 135 CO -0.77 -0.18 -1.54 0.87 -0.73 0.00 0.00 179.01 176.66 1sj5 h LYS 136 N -0.27 0.24 -0.00 1.92 1.79 -1.39 -3.42 116.57 115.43 1sj5 h LYS 136 Ca 0.05 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1sj5 h LYS 136 Cb 0.34 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1sj5 h LYS 136 CO -0.15 1.19 -0.32 0.72 -1.08 0.00 0.00 179.45 179.81 1sj5 n HIS 137 N -3.86 0.00 -0.76 -1.35 8.25 0.14 -4.96 115.22 112.68 1sj5 n HIS 137 Ca -0.27 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.00 1sj5 n HIS 137 Cb 0.92 0.00 0.17 0.00 1.12 0.00 0.00 29.99 32.20 1sj5 n HIS 137 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1sj5 n SER 138 N -0.62 -1.93 -3.57 0.41 3.41 -1.09 -4.71 113.62 105.52 1sj5 n SER 138 Ca 0.04 -0.88 -0.05 0.00 -0.26 0.00 0.00 58.87 57.71 1sj5 n SER 138 Cb 0.20 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 1sj5 n SER 138 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1sj5 s ILE 139 N -2.20 0.00 0.80 -1.33 2.07 -0.28 -4.94 121.20 115.31 1sj5 s ILE 139 Ca 0.45 -0.05 -0.10 0.00 -1.41 0.00 0.00 60.65 59.53 1sj5 s ILE 139 Cb -0.05 -1.13 0.09 0.00 0.13 0.00 0.00 42.46 41.50 1sj5 s ILE 139 CO 0.35 0.00 1.14 -0.70 -1.91 0.00 0.00 174.94 173.82 1sj5 s GLU 140 N -2.72 1.83 0.00 3.50 2.56 -1.26 -1.04 118.70 121.56 1sj5 s GLU 140 Ca 0.08 -0.13 0.14 0.00 0.00 0.00 0.00 54.97 55.06 1sj5 s GLU 140 Cb -0.01 -2.02 0.11 0.00 2.00 0.00 0.00 34.13 34.22 1sj5 s GLU 140 CO -0.06 -1.60 0.94 1.28 -0.56 0.00 0.00 175.26 175.26