#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jx1 s SER 4 N 0.00 0.46 0.45 0.00 0.15 -1.26 -5.12 113.70 108.39 1jx1 s SER 4 Ca 0.00 -1.23 -0.25 0.00 0.70 0.00 0.00 55.95 55.18 1jx1 s SER 4 Cb 0.00 0.27 -0.09 0.00 -1.71 0.00 0.00 66.02 64.49 1jx1 s SER 4 CO 0.00 -0.71 1.29 0.00 1.20 0.00 0.00 173.24 175.01 1jx1 n ILE 5 N -0.14 2.80 -4.24 6.45 3.06 -1.26 -5.00 119.36 121.02 1jx1 n ILE 5 Ca -0.05 -0.50 -0.13 0.00 -2.50 0.00 0.00 62.75 59.57 1jx1 n ILE 5 Cb 0.64 -1.60 -0.10 0.00 0.54 0.00 0.00 39.64 39.12 1jx1 n ILE 5 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1jx1 s THR 6 N -1.22 0.42 0.60 9.51 -4.23 -1.26 -4.98 115.64 114.48 1jx1 s THR 6 Ca 0.63 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 59.02 1jx1 s THR 6 Cb -0.48 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1jx1 s THR 6 CO 0.56 -0.25 1.03 0.00 -0.54 0.00 0.00 174.62 175.43 1jx1 s ALA 7 N -3.84 2.89 -0.02 3.99 0.00 -1.26 -4.34 121.76 119.18 1jx1 s ALA 7 Ca 0.31 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1jx1 s ALA 7 Cb 0.07 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 1jx1 s ALA 7 CO 0.08 -0.72 -0.16 0.42 0.00 0.00 0.00 175.76 175.38 1jx1 s ILE 8 N -2.79 1.28 -0.14 0.00 1.01 -0.31 -4.93 121.20 115.31 1jx1 s ILE 8 Ca 0.59 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1jx1 s ILE 8 Cb -0.13 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.26 1jx1 s ILE 8 CO 0.43 0.37 -0.18 -0.89 0.00 0.00 0.00 174.94 174.67 1jx1 s THR 9 N -0.18 2.47 -0.21 2.92 2.01 -1.26 0.78 115.64 122.18 1jx1 s THR 9 Ca 0.02 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1jx1 s THR 9 Cb -0.08 -2.02 0.04 0.00 0.01 0.00 0.00 72.50 70.45 1jx1 s THR 9 CO 0.00 0.53 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.62 1jx1 s VAL 10 N 0.72 2.04 -1.49 3.82 1.01 0.20 -4.75 120.40 121.94 1jx1 s VAL 10 Ca -0.08 -1.17 -0.15 0.00 0.00 0.00 0.00 61.98 60.58 1jx1 s VAL 10 Cb -0.16 -1.97 0.13 0.00 0.00 0.00 0.00 36.38 34.38 1jx1 s VAL 10 CO 0.01 0.31 0.65 1.21 0.00 0.00 0.00 175.10 177.28 1jx1 n GLU 11 N 4.57 -3.14 -1.94 2.72 4.07 -1.26 0.57 120.64 126.23 1jx1 n GLU 11 Ca -0.18 0.38 -0.04 0.00 -0.06 0.00 0.00 57.16 57.26 1jx1 n GLU 11 Cb 0.47 -5.09 -0.00 0.00 -0.06 0.00 0.00 31.44 26.76 1jx1 n GLU 11 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1jx1 n ASN 12 N -2.46 -2.09 -4.01 4.31 3.02 -1.26 -5.03 115.26 107.74 1jx1 n ASN 12 Ca 0.05 0.01 -0.31 0.00 -0.03 0.00 0.00 54.58 54.29 1jx1 n ASN 12 Cb 0.50 -1.28 -0.15 0.00 -0.61 0.00 0.00 39.78 38.24 1jx1 n ASN 12 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jx1 s LEU 13 N -1.03 3.72 0.07 3.41 1.43 0.19 -5.09 118.68 121.38 1jx1 s LEU 13 Ca 0.00 -1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 51.15 1jx1 s LEU 13 Cb 0.00 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1jx1 s LEU 13 CO 0.00 -0.28 1.10 -0.70 0.23 0.00 0.00 176.35 176.70 1jx1 s GLU 14 N 1.10 4.52 -0.31 1.70 2.56 -1.26 -0.63 118.70 126.38 1jx1 s GLU 14 Ca -0.00 1.64 0.01 0.00 0.00 0.00 0.00 54.97 56.61 1jx1 s GLU 14 Cb -0.19 -3.37 0.07 0.00 2.00 0.00 0.00 34.13 32.64 1jx1 s GLU 14 CO -0.07 -0.09 0.01 0.71 -0.56 0.00 0.00 175.26 175.25 1jx1 s TYR 15 N 0.69 3.43 0.57 5.30 1.51 0.23 -4.99 117.35 124.10 1jx1 s TYR 15 Ca 0.54 -2.36 -0.20 0.00 -1.01 0.00 0.00 57.07 54.04 1jx1 s TYR 15 Cb -0.27 -2.41 -0.05 0.00 -0.11 0.00 0.00 41.96 39.13 1jx1 s TYR 15 CO 0.30 -0.89 1.07 -2.30 -1.11 0.00 0.00 175.55 172.62 1jx1 n PRO 16 N 4.47 1.11 0.12 -1.71 -0.02 -1.26 -1.17 135.00 136.55 1jx1 n PRO 16 Ca -0.08 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 1jx1 n PRO 16 Cb 0.42 -2.25 0.43 0.00 -0.02 0.00 0.00 33.50 32.08 1jx1 n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jx1 h ALA 17 N 0.78 1.61 -3.77 3.55 0.00 -1.92 -3.41 119.26 116.10 1jx1 h ALA 17 Ca -0.49 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.00 1jx1 h ALA 17 Cb 1.35 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.77 1jx1 h ALA 17 CO 0.53 0.29 -0.73 0.08 0.00 0.00 0.00 179.25 179.41 1jx1 s VAL 18 N -4.88 0.16 0.02 0.00 1.01 -1.26 -0.93 120.40 114.52 1jx1 s VAL 18 Ca -0.06 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1jx1 s VAL 18 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.37 1jx1 s VAL 18 CO 0.72 0.06 -0.06 0.68 0.00 0.00 0.00 175.10 176.50 1jx1 s VAL 19 N 0.05 0.40 -0.07 2.92 -7.23 -0.98 -5.02 120.40 110.47 1jx1 s VAL 19 Ca -0.00 -0.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.52 1jx1 s VAL 19 Cb -0.02 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.48 1jx1 s VAL 19 CO -0.00 -0.21 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.44 1jx1 s THR 20 N -0.89 2.05 -0.10 5.32 2.01 -1.26 -0.80 115.64 121.97 1jx1 s THR 20 Ca -0.06 -1.05 -0.27 0.00 0.31 0.00 0.00 61.69 60.62 1jx1 s THR 20 Cb -0.07 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1jx1 s THR 20 CO 0.00 0.57 0.87 -0.55 -0.69 0.00 0.00 174.62 174.82 1jx1 s SER 21 N 0.04 7.10 0.06 3.53 0.15 0.11 -4.93 113.70 119.76 1jx1 s SER 21 Ca -0.10 1.34 0.21 0.00 0.70 0.00 0.00 55.95 58.11 1jx1 s SER 21 Cb -0.15 -2.49 0.87 0.00 -1.71 0.00 0.00 66.02 62.54 1jx1 s SER 21 CO 0.06 -0.33 1.66 -2.65 1.20 0.00 0.00 173.24 173.19 1jx1 n PRO 22 N 4.65 0.05 -0.04 5.44 -0.02 -1.26 -0.67 135.00 143.14 1jx1 n PRO 22 Ca 0.05 0.20 -0.17 0.00 -2.02 0.00 0.00 63.50 61.56 1jx1 n PRO 22 Cb 0.50 -1.58 -0.14 0.00 -0.02 0.00 0.00 33.50 32.26 1jx1 n PRO 22 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jx1 n VAL 23 N -1.68 1.64 0.07 -1.45 0.31 -1.26 -4.64 118.33 111.31 1jx1 n VAL 23 Ca 0.04 -0.68 0.01 0.00 -0.01 0.00 0.00 64.34 63.70 1jx1 n VAL 23 Cb 0.25 -1.39 -0.01 0.00 -0.91 0.00 0.00 33.84 31.78 1jx1 n VAL 23 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1jx1 n THR 24 N -3.27 0.00 -0.66 2.52 -2.24 -1.23 -5.00 114.28 104.40 1jx1 n THR 24 Ca -0.33 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1jx1 n THR 24 Cb 1.05 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 70.26 1jx1 n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jx1 n GLY 25 N 1.08 1.55 3.81 3.38 0.00 0.15 -5.01 105.19 110.15 1jx1 n GLY 25 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1jx1 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jx1 s LYS 26 N -0.04 3.71 -0.06 1.61 1.02 -1.26 -4.72 119.74 120.01 1jx1 s LYS 26 Ca 0.00 1.21 0.04 0.00 0.02 0.00 0.00 55.97 57.24 1jx1 s LYS 26 Cb 0.00 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1jx1 s LYS 26 CO 0.00 -0.49 -0.16 -1.12 -0.92 0.00 0.00 175.35 172.66 1jx1 s SER 27 N -2.46 3.86 0.29 2.83 0.01 -1.26 -0.71 113.70 116.26 1jx1 s SER 27 Ca 0.64 -0.26 0.11 0.00 1.31 0.00 0.00 55.95 57.75 1jx1 s SER 27 Cb -0.14 -0.88 -0.05 0.00 0.21 0.00 0.00 66.02 65.15 1jx1 s SER 27 CO 0.27 0.32 -0.14 -0.31 0.41 0.00 0.00 173.24 173.78 1jx1 s TYR 28 N -0.56 2.39 0.04 2.43 1.51 0.02 -1.45 117.35 121.72 1jx1 s TYR 28 Ca 0.08 -0.34 0.08 0.00 -1.01 0.00 0.00 57.07 55.87 1jx1 s TYR 28 Cb -0.11 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 1jx1 s TYR 28 CO 0.01 0.67 -0.22 -0.59 -1.11 0.00 0.00 175.55 174.31 1jx1 s PHE 29 N -2.50 1.92 -0.09 2.71 -0.12 -0.12 -2.32 117.98 117.47 1jx1 s PHE 29 Ca 0.31 -0.38 -0.29 0.00 -0.05 0.00 0.00 56.93 56.51 1jx1 s PHE 29 Cb -0.04 -1.15 -0.05 0.00 -0.63 0.00 0.00 43.02 41.15 1jx1 s PHE 29 CO 0.16 0.09 1.73 -1.17 -0.05 0.00 0.00 175.22 175.98 1jx1 s LEU 30 N -1.15 4.19 0.05 -1.99 2.96 -0.10 -1.69 118.68 120.94 1jx1 s LEU 30 Ca 0.08 2.14 0.15 0.00 -0.22 0.00 0.00 54.13 56.29 1jx1 s LEU 30 Cb -0.09 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.91 1jx1 s LEU 30 CO 0.02 -1.09 0.83 1.23 -1.32 0.00 0.00 176.35 176.02 1jx1 h GLY 31 N 10.94 0.00 0.00 7.98 0.00 -1.38 -3.48 103.07 117.13 1jx1 h GLY 31 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1jx1 h GLY 31 CO 0.96 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.11 1jx1 n GLY 32 N 1.43 2.28 3.20 4.60 0.00 -1.20 -3.47 105.19 112.02 1jx1 n GLY 32 Ca -0.11 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 1jx1 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 s ALA 33 N -2.00 1.21 0.32 4.61 0.00 -1.26 -1.36 121.76 123.28 1jx1 s ALA 33 Ca 0.00 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 1jx1 s ALA 33 Cb 0.00 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1jx1 s ALA 33 CO 0.00 -0.04 0.61 0.20 0.00 0.00 0.00 175.76 176.53 1jx1 s GLY 34 N -2.62 0.64 0.27 0.00 0.00 0.14 -4.50 107.32 101.25 1jx1 s GLY 34 Ca 0.08 -0.92 0.09 0.00 0.00 0.00 0.00 44.72 43.97 1jx1 s GLY 34 CO 0.00 -0.54 0.07 -1.83 0.00 0.00 0.00 173.10 170.80 1jx1 s GLU 35 N -3.21 2.50 -0.21 2.90 -1.05 -1.26 -0.36 118.70 118.01 1jx1 s GLU 35 Ca 0.21 -1.32 -0.05 0.00 -0.15 0.00 0.00 54.97 53.66 1jx1 s GLU 35 Cb -0.03 -2.29 0.10 0.00 -0.44 0.00 0.00 34.13 31.48 1jx1 s GLU 35 CO 0.12 0.35 0.39 0.50 0.95 0.00 0.00 175.26 177.58 1jx1 s ARG 36 N -3.74 0.31 0.00 -4.83 6.06 0.20 -4.89 118.95 112.06 1jx1 s ARG 36 Ca 0.32 0.84 0.00 0.00 -2.50 0.00 0.00 55.73 54.39 1jx1 s ARG 36 Cb -0.07 0.03 0.00 0.00 0.06 0.00 0.00 34.95 34.97 1jx1 s ARG 36 CO 0.22 -0.38 0.00 0.41 -2.50 0.00 0.00 175.30 173.04 1jx1 n GLY 37 N 5.38 4.86 3.90 8.12 0.00 -1.26 -1.24 105.19 124.94 1jx1 n GLY 37 Ca -0.07 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 1jx1 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jx1 s LEU 38 N 0.00 3.80 0.00 0.99 1.43 0.22 -4.87 118.68 120.25 1jx1 s LEU 38 Ca 0.00 -0.32 0.29 0.00 -1.03 0.00 0.00 54.13 53.08 1jx1 s LEU 38 Cb 0.00 -2.44 1.45 0.00 0.03 0.00 0.00 46.19 45.23 1jx1 s LEU 38 CO 0.00 -0.30 1.97 0.35 0.23 0.00 0.00 176.35 178.60 1jx1 n THR 39 N -1.42 0.01 -0.20 5.49 -2.24 -1.26 -2.73 114.28 111.93 1jx1 n THR 39 Ca -0.03 -0.13 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 1jx1 n THR 39 Cb 0.59 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 1jx1 n THR 39 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1jx1 h ILE 40 N 1.18 0.00 -3.27 2.28 1.08 -1.97 -3.48 117.51 113.34 1jx1 h ILE 40 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1jx1 h ILE 40 Cb 0.25 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 1jx1 h ILE 40 CO 0.00 0.00 -0.20 0.59 -0.69 0.00 0.00 178.15 177.85 1jx1 n ASN 43 N -4.41 -1.94 -4.49 1.72 4.13 -1.26 -5.14 115.26 103.87 1jx1 n ASN 43 Ca -0.00 1.08 -0.43 0.00 1.68 0.00 0.00 54.58 56.91 1jx1 n ASN 43 Cb 0.18 -2.26 -0.08 0.00 -1.54 0.00 0.00 39.78 36.08 1jx1 n ASN 43 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1jx1 s PHE 44 N -0.95 3.16 -0.29 3.10 5.36 -1.26 -4.94 117.98 122.15 1jx1 s PHE 44 Ca 0.00 -0.30 -0.15 0.00 -0.96 0.00 0.00 56.93 55.52 1jx1 s PHE 44 Cb 0.00 -2.93 -0.03 0.00 -0.34 0.00 0.00 43.02 39.72 1jx1 s PHE 44 CO 0.00 -0.70 0.39 0.42 -1.46 0.00 0.00 175.22 173.88 1jx1 s ILE 45 N 2.21 5.15 -0.14 3.12 1.01 -1.11 -4.88 121.20 126.57 1jx1 s ILE 45 Ca 0.13 0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.93 1jx1 s ILE 45 Cb -0.17 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1jx1 s ILE 45 CO 0.14 0.05 1.12 -0.54 0.00 0.00 0.00 174.94 175.72 1jx1 s LYS 46 N 2.11 4.32 -0.20 2.79 1.02 -1.26 0.72 119.74 129.24 1jx1 s LYS 46 Ca 0.15 1.52 -0.08 0.00 0.02 0.00 0.00 55.97 57.58 1jx1 s LYS 46 Cb -0.16 -3.62 -0.09 0.00 -0.52 0.00 0.00 37.83 33.44 1jx1 s LYS 46 CO 0.11 -0.52 -0.24 1.19 -0.92 0.00 0.00 175.35 174.97 1jx1 n PHE 47 N 5.77 0.00 -4.30 3.18 3.01 -0.63 -4.63 117.46 119.85 1jx1 n PHE 47 Ca 0.11 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.41 1jx1 n PHE 47 Cb 0.46 -0.71 -0.10 0.00 -0.01 0.00 0.00 39.48 39.12 1jx1 n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jx1 s ALA 48 N -2.36 1.66 0.14 4.37 0.00 -0.37 0.54 121.76 125.73 1jx1 s ALA 48 Ca -0.27 -1.72 0.08 0.00 0.00 0.00 0.00 51.96 50.04 1jx1 s ALA 48 Cb 0.10 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1jx1 s ALA 48 CO 0.36 -0.29 -0.08 0.00 0.00 0.00 0.00 175.76 175.75 1jx1 s ALA 49 N -3.53 2.99 -0.00 0.00 0.00 0.60 -0.62 121.76 121.19 1jx1 s ALA 49 Ca 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1jx1 s ALA 49 Cb 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1jx1 s ALA 49 CO 0.08 0.55 -0.00 0.42 0.00 0.00 0.00 175.76 176.80 1jx1 s ILE 50 N -1.48 0.06 -0.03 0.00 1.01 0.52 -1.11 121.20 120.16 1jx1 s ILE 50 Ca 0.24 -0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.92 1jx1 s ILE 50 Cb -0.10 -0.07 -0.00 0.00 0.01 0.00 0.00 42.46 42.29 1jx1 s ILE 50 CO 0.15 0.03 -0.14 -0.83 0.00 0.00 0.00 174.94 174.15 1jx1 s GLY 51 N 0.14 0.75 -0.22 6.18 0.00 -0.61 0.24 107.32 113.80 1jx1 s GLY 51 Ca -0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 44.72 44.11 1jx1 s GLY 51 CO -0.00 -0.30 -0.03 0.14 0.00 0.00 0.00 173.10 172.91 1jx1 s VAL 52 N 0.01 3.53 -0.05 1.40 1.01 -0.47 -1.37 120.40 124.46 1jx1 s VAL 52 Ca -0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 1jx1 s VAL 52 Cb -0.09 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1jx1 s VAL 52 CO 0.01 0.42 -0.01 -0.31 0.00 0.00 0.00 175.10 175.21 1jx1 s TYR 53 N 1.38 3.10 -0.03 5.22 1.51 0.19 -0.91 117.35 127.81 1jx1 s TYR 53 Ca 0.05 0.13 0.06 0.00 -1.01 0.00 0.00 57.07 56.30 1jx1 s TYR 53 Cb -0.14 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1jx1 s TYR 53 CO -0.02 0.45 -0.22 -0.51 -1.11 0.00 0.00 175.55 174.14 1jx1 s LEU 54 N -1.12 2.03 0.35 -1.29 1.43 -0.68 -1.07 118.68 118.32 1jx1 s LEU 54 Ca 0.15 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 1jx1 s LEU 54 Cb -0.11 -1.17 -0.12 0.00 0.03 0.00 0.00 46.19 44.81 1jx1 s LEU 54 CO 0.05 0.25 1.36 1.21 0.23 0.00 0.00 176.35 179.45 1jx1 n GLU 55 N 2.73 2.31 -0.30 1.70 2.13 -0.66 -0.94 120.64 127.61 1jx1 n GLU 55 Ca -0.16 0.81 0.30 0.00 0.66 0.00 0.00 57.16 58.77 1jx1 n GLU 55 Cb 0.52 -2.45 0.66 0.00 0.27 0.00 0.00 31.44 30.45 1jx1 n GLU 55 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1jx1 h ASP 56 N 2.75 0.16 0.83 4.31 -0.00 -1.53 0.25 116.42 123.20 1jx1 h ASP 56 Ca -0.48 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.59 1jx1 h ASP 56 Cb 1.27 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.60 1jx1 h ASP 56 CO 0.64 0.03 0.00 0.16 -0.00 0.00 0.00 179.24 180.06 1jx1 h ILE 57 N 0.14 0.00 -0.57 4.15 3.07 -1.86 -2.85 117.51 119.58 1jx1 h ILE 57 Ca 0.56 -0.37 0.17 0.00 1.55 0.00 0.00 64.86 66.76 1jx1 h ILE 57 Cb 1.91 1.26 -0.02 0.00 -0.27 0.00 0.00 36.82 39.70 1jx1 h ILE 57 CO -0.11 0.00 0.45 0.00 -1.05 0.00 0.00 178.15 177.44 1jx1 h ALA 58 N 2.09 2.46 -0.05 0.16 0.00 -0.83 -2.21 119.26 120.88 1jx1 h ALA 58 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jx1 h ALA 58 Cb 0.42 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jx1 h ALA 58 CO 0.00 -0.75 0.01 0.28 0.00 0.00 0.00 179.25 178.80 1jx1 h VAL 59 N 0.00 1.17 -0.47 0.00 2.07 -1.69 -1.42 116.25 115.91 1jx1 h VAL 59 Ca 0.27 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1jx1 h VAL 59 Cb 1.18 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1jx1 h VAL 59 CO -0.00 0.14 0.27 0.00 0.02 0.00 0.00 177.57 178.00 1jx1 h ALA 60 N 0.82 0.60 -0.48 1.67 0.00 -1.56 0.49 119.26 120.79 1jx1 h ALA 60 Ca 0.02 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1jx1 h ALA 60 Cb 0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1jx1 h ALA 60 CO -0.00 0.10 0.16 1.03 0.00 0.00 0.00 179.25 180.54 1jx1 h SER 61 N 0.62 0.16 1.64 0.00 0.87 -1.37 -2.58 113.55 112.88 1jx1 h SER 61 Ca 0.17 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1jx1 h SER 61 Cb 0.02 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1jx1 h SER 61 CO -0.03 0.12 -0.29 -0.07 -0.53 0.00 0.00 176.83 176.03 1jx1 h LEU 62 N 0.33 0.00 -0.41 2.23 3.38 -1.10 -3.40 115.31 116.34 1jx1 h LEU 62 Ca 0.23 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1jx1 h LEU 62 Cb 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 1jx1 h LEU 62 CO -0.24 0.01 -0.43 0.00 0.09 0.00 0.00 178.44 177.86 1jx1 h ALA 63 N 2.07 -0.43 -0.65 1.53 0.00 -0.47 -1.06 119.26 120.25 1jx1 h ALA 63 Ca 0.00 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1jx1 h ALA 63 Cb 0.96 0.90 -0.08 0.00 0.00 0.00 0.00 17.79 19.57 1jx1 h ALA 63 CO 0.00 -0.86 0.26 0.00 0.00 0.00 0.00 179.25 178.65 1jx1 h ALA 64 N 0.43 0.87 0.00 0.00 0.00 -1.78 0.54 119.26 119.32 1jx1 h ALA 64 Ca 0.14 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1jx1 h ALA 64 Cb 0.58 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1jx1 h ALA 64 CO -0.58 -0.17 -0.97 0.87 0.00 0.00 0.00 179.25 178.41 1jx1 h LYS 65 N 0.45 0.00 0.00 0.00 1.57 -1.80 -3.41 116.57 113.38 1jx1 h LYS 65 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1jx1 h LYS 65 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1jx1 h LYS 65 CO -0.32 0.36 -0.94 0.91 -0.57 0.00 0.00 179.45 178.90 1jx1 n TRP 66 N -3.02 0.00 -1.70 -1.35 7.02 -0.42 -4.95 117.44 113.02 1jx1 n TRP 66 Ca -0.04 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.02 1jx1 n TRP 66 Cb 0.77 -0.04 -0.01 0.00 -2.42 0.00 0.00 31.31 29.61 1jx1 n TRP 66 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1jx1 n LYS 67 N -1.49 2.13 0.00 -0.99 4.81 0.16 -1.51 118.16 121.28 1jx1 n LYS 67 Ca -0.00 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1jx1 n LYS 67 Cb 0.05 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 32.75 1jx1 n LYS 67 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jx1 n GLY 68 N 0.97 3.14 3.79 3.14 0.00 -1.26 -4.99 105.19 109.98 1jx1 n GLY 68 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1jx1 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jx1 s LYS 69 N -0.74 4.51 0.70 1.61 -0.14 -0.57 -5.05 119.74 120.05 1jx1 s LYS 69 Ca 0.00 1.26 -0.10 0.00 -1.36 0.00 0.00 55.97 55.78 1jx1 s LYS 69 Cb 0.00 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.47 1jx1 s LYS 69 CO 0.00 0.24 1.05 -1.54 -0.76 0.00 0.00 175.35 174.35 1jx1 s SER 70 N -1.71 5.24 0.26 2.83 1.04 -1.26 -4.82 113.70 115.29 1jx1 s SER 70 Ca 0.51 0.89 -0.03 0.00 0.48 0.00 0.00 55.95 57.81 1jx1 s SER 70 Cb -0.17 -1.66 0.34 0.00 0.10 0.00 0.00 66.02 64.62 1jx1 s SER 70 CO 0.22 -1.40 1.81 0.28 0.98 0.00 0.00 173.24 175.13 1jx1 h SER 71 N -0.60 0.86 -0.58 7.02 0.02 -1.94 -0.35 113.55 117.97 1jx1 h SER 71 Ca -0.45 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1jx1 h SER 71 Cb 1.27 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 1jx1 h SER 71 CO 0.63 0.82 0.37 -0.33 -1.14 0.00 0.00 176.83 177.18 1jx1 h GLU 72 N 0.89 0.78 -0.38 3.45 3.07 -1.93 -1.09 114.58 119.38 1jx1 h GLU 72 Ca 0.20 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.91 1jx1 h GLU 72 Cb 0.28 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1jx1 h GLU 72 CO -0.01 0.54 -0.11 0.93 -1.40 0.00 0.00 179.01 178.97 1jx1 h GLU 73 N 0.79 0.74 -0.27 2.33 5.08 -1.77 -3.21 114.58 118.27 1jx1 h GLU 73 Ca 0.21 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1jx1 h GLU 73 Cb -0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1jx1 h GLU 73 CO -0.04 0.89 0.16 -0.07 -1.00 0.00 0.00 179.01 178.94 1jx1 h LEU 74 N 0.54 0.32 -1.26 1.33 3.38 -0.84 -2.69 115.31 116.09 1jx1 h LEU 74 Ca 0.09 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.17 1jx1 h LEU 74 Cb 0.63 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 1jx1 h LEU 74 CO 0.04 0.29 0.59 0.25 0.09 0.00 0.00 178.44 179.70 1jx1 h LEU 75 N 0.33 0.65 -0.69 1.67 5.85 -1.22 -1.45 115.31 120.45 1jx1 h LEU 75 Ca 0.09 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1jx1 h LEU 75 Cb 0.03 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1jx1 h LEU 75 CO -0.02 0.30 -0.07 -1.84 -0.34 0.00 0.00 178.44 176.47 1jx1 n GLU 76 N -4.60 1.31 -3.32 1.25 0.28 -1.03 -4.72 120.64 109.81 1jx1 n GLU 76 Ca 0.19 -0.69 -0.47 0.00 -0.16 0.00 0.00 57.16 56.03 1jx1 n GLU 76 Cb 0.53 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.89 1jx1 n GLU 76 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1jx1 s THR 77 N -2.16 5.45 0.52 3.84 2.01 -0.55 -4.91 115.64 119.85 1jx1 s THR 77 Ca 0.35 -2.09 0.32 0.00 0.31 0.00 0.00 61.69 60.59 1jx1 s THR 77 Cb 0.21 -4.42 0.51 0.00 0.01 0.00 0.00 72.50 68.81 1jx1 s THR 77 CO 0.39 -0.97 1.83 -0.07 -0.69 0.00 0.00 174.62 175.12 1jx1 h LEU 78 N 8.22 0.07 -1.39 4.42 3.38 -1.84 0.39 115.31 128.55 1jx1 h LEU 78 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jx1 h LEU 78 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1jx1 h LEU 78 CO 0.87 0.01 0.00 -0.78 0.09 0.00 0.00 178.44 178.63 1jx1 h ASP 79 N 0.06 0.00 -0.10 -0.43 -0.00 -1.94 -2.58 116.42 111.42 1jx1 h ASP 79 Ca 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 57.50 1jx1 h ASP 79 Cb 1.97 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 41.30 1jx1 h ASP 79 CO -0.05 0.00 -0.15 0.15 -0.00 0.00 0.00 179.24 179.20 1jx1 h PHE 80 N 0.00 0.35 0.00 0.28 3.57 -0.54 -2.97 116.94 117.63 1jx1 h PHE 80 Ca 0.00 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 1jx1 h PHE 80 Cb 0.41 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1jx1 h PHE 80 CO 0.00 0.74 -0.32 1.88 -2.23 0.00 0.00 178.31 178.38 1jx1 h TYR 81 N -0.14 0.00 0.00 0.41 -1.99 -1.56 -2.34 116.97 111.35 1jx1 h TYR 81 Ca 0.01 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.68 1jx1 h TYR 81 Cb 0.70 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 1jx1 h TYR 81 CO 0.10 0.32 -0.31 0.00 -0.00 0.00 0.00 178.16 178.27 1jx1 h ARG 82 N 0.00 0.00 0.00 4.88 3.08 -1.40 0.54 114.38 121.48 1jx1 h ARG 82 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1jx1 h ARG 82 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1jx1 h ARG 82 CO 0.04 0.31 -0.54 -0.44 -1.07 0.00 0.00 179.97 178.27 1jx1 h ASP 83 N 0.00 0.00 0.04 7.04 3.32 -1.27 -1.09 116.42 124.45 1jx1 h ASP 83 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1jx1 h ASP 83 Cb 0.59 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.15 1jx1 h ASP 83 CO 0.04 0.54 -0.44 0.40 -1.72 0.00 0.00 179.24 178.06 1jx1 h ILE 84 N 0.00 1.54 -0.26 0.35 2.04 -0.96 -0.04 117.51 120.18 1jx1 h ILE 84 Ca -0.01 -2.18 -0.02 0.00 1.00 0.00 0.00 64.86 63.66 1jx1 h ILE 84 Cb 1.35 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 40.35 1jx1 h ILE 84 CO 0.07 0.61 0.10 0.40 0.00 0.00 0.00 178.15 179.33 1jx1 h ILE 85 N -0.44 1.17 -0.37 -0.67 2.04 0.04 -3.28 117.51 116.00 1jx1 h ILE 85 Ca -0.06 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1jx1 h ILE 85 Cb 1.24 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1jx1 h ILE 85 CO 0.08 0.18 0.00 -1.20 0.00 0.00 0.00 178.15 177.21 1jx1 n SER 86 N -4.77 3.58 -4.73 1.72 7.64 -0.42 -4.94 113.62 111.71 1jx1 n SER 86 Ca -0.03 -2.43 -0.36 0.00 1.01 0.00 0.00 58.87 57.06 1jx1 n SER 86 Cb 0.13 -0.40 0.08 0.00 -1.01 0.00 0.00 64.21 63.01 1jx1 n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jx1 s GLY 87 N -1.31 2.77 -1.09 0.23 0.00 -0.03 -4.86 107.32 103.03 1jx1 s GLY 87 Ca 0.35 1.17 -0.12 0.00 0.00 0.00 0.00 44.72 46.11 1jx1 s GLY 87 CO 0.15 1.59 2.24 -1.55 0.00 0.00 0.00 173.10 175.53 1jx1 n PRO 88 N -2.08 2.35 -3.53 2.90 -0.04 -1.26 -4.74 135.00 128.59 1jx1 n PRO 88 Ca 0.16 -1.88 -0.08 0.00 -0.04 0.00 0.00 63.50 61.65 1jx1 n PRO 88 Cb 0.48 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.15 1jx1 n PRO 88 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1jx1 s PHE 89 N 3.58 -0.33 0.27 0.54 -0.12 -1.26 -4.93 117.98 115.72 1jx1 s PHE 89 Ca 0.51 0.29 -0.29 0.00 -0.05 0.00 0.00 56.93 57.39 1jx1 s PHE 89 Cb 0.13 0.52 -0.09 0.00 -0.63 0.00 0.00 43.02 42.95 1jx1 s PHE 89 CO -0.01 -0.47 0.95 -2.00 -0.05 0.00 0.00 175.22 173.65 1jx1 s GLU 90 N -2.63 4.76 0.11 1.99 2.12 -1.26 -4.41 118.70 119.39 1jx1 s GLU 90 Ca 0.04 1.47 0.08 0.00 0.36 0.00 0.00 54.97 56.92 1jx1 s GLU 90 Cb -0.01 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1jx1 s GLU 90 CO -0.06 0.43 -0.17 0.15 -0.54 0.00 0.00 175.26 175.07 1jx1 s LYS 91 N -1.44 1.86 -0.10 4.30 3.01 -0.44 -1.65 119.74 125.28 1jx1 s LYS 91 Ca 0.44 -1.14 0.00 0.00 -1.01 0.00 0.00 55.97 54.26 1jx1 s LYS 91 Cb -0.24 -2.15 0.02 0.00 -1.01 0.00 0.00 37.83 34.45 1jx1 s LYS 91 CO 0.30 0.49 -0.07 -1.17 0.51 0.00 0.00 175.35 175.41 1jx1 s LEU 92 N -2.07 1.20 -0.15 3.17 2.96 -0.23 -0.20 118.68 123.35 1jx1 s LEU 92 Ca 0.18 -0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1jx1 s LEU 92 Cb -0.11 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 1jx1 s LEU 92 CO 0.10 -0.10 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.28 1jx1 s ILE 93 N 1.50 2.95 -0.21 6.68 1.01 0.53 0.53 121.20 134.19 1jx1 s ILE 93 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1jx1 s ILE 93 Cb -0.13 -2.25 0.04 0.00 0.01 0.00 0.00 42.46 40.12 1jx1 s ILE 93 CO -0.05 0.51 -0.15 -0.60 0.00 0.00 0.00 174.94 174.65 1jx1 s ARG 94 N 0.67 2.50 -0.24 2.79 3.00 -0.47 0.60 118.95 127.80 1jx1 s ARG 94 Ca -0.06 -1.03 -0.11 0.00 -1.00 0.00 0.00 55.73 53.53 1jx1 s ARG 94 Cb -0.15 -2.65 -0.05 0.00 0.00 0.00 0.00 34.95 32.09 1jx1 s ARG 94 CO 0.02 -0.39 0.18 0.20 0.00 0.00 0.00 175.30 175.31 1jx1 s GLY 95 N 1.24 1.98 -0.11 8.12 0.00 -0.18 -1.57 107.32 116.80 1jx1 s GLY 95 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.84 1jx1 s GLY 95 CO -0.09 0.46 -0.16 -0.56 0.00 0.00 0.00 173.10 172.74 1jx1 s SER 96 N 1.14 2.53 0.38 1.64 0.01 -0.27 -1.46 113.70 117.67 1jx1 s SER 96 Ca 0.08 -0.45 -0.26 0.00 1.31 0.00 0.00 55.95 56.63 1jx1 s SER 96 Cb -0.14 -1.14 -0.09 0.00 0.21 0.00 0.00 66.02 64.87 1jx1 s SER 96 CO 0.05 0.03 1.17 -0.54 0.41 0.00 0.00 173.24 174.36 1jx1 s LYS 97 N 0.92 4.15 -0.15 12.44 3.01 -1.00 -0.29 119.74 138.82 1jx1 s LYS 97 Ca -0.08 1.85 0.12 0.00 -1.01 0.00 0.00 55.97 56.85 1jx1 s LYS 97 Cb -0.15 -2.75 -0.17 0.00 -1.01 0.00 0.00 37.83 33.74 1jx1 s LYS 97 CO -0.01 -0.24 0.03 -0.89 0.51 0.00 0.00 175.35 174.75 1jx1 n ILE 98 N 0.24 1.00 -4.68 2.17 5.41 0.19 -1.19 119.36 122.50 1jx1 n ILE 98 Ca 0.03 -0.59 -0.24 0.00 1.00 0.00 0.00 62.75 62.95 1jx1 n ILE 98 Cb 0.46 -0.67 -0.16 0.00 -0.71 0.00 0.00 39.64 38.57 1jx1 n ILE 98 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1jx1 s ARG 99 N -2.35 1.49 0.31 0.38 0.52 -0.95 -4.72 118.95 113.63 1jx1 s ARG 99 Ca -0.09 -0.50 -0.26 0.00 -0.52 0.00 0.00 55.73 54.36 1jx1 s ARG 99 Cb 0.04 -1.32 -0.14 0.00 0.52 0.00 0.00 34.95 34.05 1jx1 s ARG 99 CO 0.57 0.20 0.77 -1.91 0.02 0.00 0.00 175.30 174.95 1jx1 n GLU 100 N 3.20 0.83 -3.68 3.54 2.13 -1.26 -4.63 120.64 120.77 1jx1 n GLU 100 Ca -0.18 0.29 -0.09 0.00 0.66 0.00 0.00 57.16 57.84 1jx1 n GLU 100 Cb 0.53 -1.57 -0.10 0.00 0.27 0.00 0.00 31.44 30.58 1jx1 n GLU 100 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1jx1 s LEU 101 N 1.35 -0.33 0.80 4.31 1.43 -0.81 -4.97 118.68 120.46 1jx1 s LEU 101 Ca 0.61 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.63 1jx1 s LEU 101 Cb -0.72 1.56 0.07 0.00 0.03 0.00 0.00 46.19 47.14 1jx1 s LEU 101 CO 0.58 -0.21 1.09 -0.94 0.23 0.00 0.00 176.35 177.11 1jx1 s SER 102 N 1.59 4.42 0.04 2.29 1.04 -1.26 0.20 113.70 122.02 1jx1 s SER 102 Ca -0.09 1.39 -0.15 0.00 0.48 0.00 0.00 55.95 57.58 1jx1 s SER 102 Cb -0.08 -2.12 -0.06 0.00 0.10 0.00 0.00 66.02 63.85 1jx1 s SER 102 CO -0.14 -2.03 1.23 1.23 0.98 0.00 0.00 173.24 174.51 1jx1 h GLY 103 N -1.13 -1.19 -0.00 7.32 0.00 -0.32 -2.19 103.07 105.57 1jx1 h GLY 103 Ca -0.47 0.57 0.17 0.00 0.00 0.00 0.00 47.33 47.60 1jx1 h GLY 103 CO 0.58 -0.38 0.31 -2.55 0.00 0.00 0.00 176.54 174.50 1jx1 h PRO 104 N -0.32 0.40 -0.42 4.80 0.11 -1.82 0.46 132.00 135.19 1jx1 h PRO 104 Ca -0.00 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.16 1jx1 h PRO 104 Cb 0.32 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.27 1jx1 h PRO 104 CO -0.12 0.26 -0.01 0.93 -0.21 0.00 0.00 178.00 178.85 1jx1 h GLU 105 N 0.41 0.09 0.38 1.05 5.08 -1.87 -0.11 114.58 119.61 1jx1 h GLU 105 Ca 0.46 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 1jx1 h GLU 105 Cb 0.78 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1jx1 h GLU 105 CO -0.46 0.06 -0.18 -0.92 -1.00 0.00 0.00 179.01 176.51 1jx1 h TYR 106 N 0.10 -0.47 0.00 4.33 3.20 -0.52 -3.25 116.97 120.34 1jx1 h TYR 106 Ca 0.21 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1jx1 h TYR 106 Cb 0.30 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1jx1 h TYR 106 CO -0.29 -0.26 0.31 0.66 -1.64 0.00 0.00 178.16 176.94 1jx1 h SER 107 N -1.12 0.00 0.91 -2.11 4.64 -0.12 -2.78 113.55 112.97 1jx1 h SER 107 Ca -0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1jx1 h SER 107 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1jx1 h SER 107 CO 0.09 0.00 -0.44 -0.09 -0.87 0.00 0.00 176.83 175.52 1jx1 h ARG 108 N 0.00 -1.17 0.00 4.77 1.12 -1.04 -2.00 114.38 116.06 1jx1 h ARG 108 Ca 0.00 0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 1jx1 h ARG 108 Cb 0.62 0.27 0.00 0.00 -0.01 0.00 0.00 29.97 30.85 1jx1 h ARG 108 CO 0.00 -0.78 0.00 1.63 -3.11 0.00 0.00 179.97 177.71 1jx1 n LYS 109 N -5.43 0.15 0.11 0.20 5.02 -1.06 -2.48 118.16 114.68 1jx1 n LYS 109 Ca -0.15 0.24 -0.23 0.00 -2.02 0.00 0.00 58.31 56.15 1jx1 n LYS 109 Cb 0.48 -1.72 -0.14 0.00 -0.02 0.00 0.00 35.03 33.62 1jx1 n LYS 109 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1jx1 h VAL 110 N 0.00 1.31 0.00 -0.18 2.07 -1.46 -3.24 116.25 114.74 1jx1 h VAL 110 Ca 0.00 -2.53 -0.09 0.00 0.82 0.00 0.00 66.70 64.90 1jx1 h VAL 110 Cb 0.51 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 1jx1 h VAL 110 CO 0.00 0.76 -0.41 0.24 0.02 0.00 0.00 177.57 178.18 1jx1 h MET 111 N 0.16 0.00 0.64 1.57 2.86 -1.23 -2.62 114.93 116.30 1jx1 h MET 111 Ca -0.21 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1jx1 h MET 111 Cb 1.96 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.61 1jx1 h MET 111 CO 0.24 0.41 -0.49 0.93 1.06 0.00 0.00 176.91 179.06 1jx1 h GLU 112 N 0.00 -1.05 -0.94 1.72 5.08 -1.52 0.20 114.58 118.08 1jx1 h GLU 112 Ca -0.00 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1jx1 h GLU 112 Cb 0.82 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 1jx1 h GLU 112 CO 0.05 -0.70 0.61 -0.91 -1.00 0.00 0.00 179.01 177.06 1jx1 h ASN 113 N -1.09 1.02 -0.45 1.42 2.35 -1.58 -1.85 115.58 115.40 1jx1 h ASN 113 Ca -0.08 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1jx1 h ASN 113 Cb 0.91 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 1jx1 h ASN 113 CO 0.02 0.70 0.17 0.00 -1.65 0.00 0.00 177.43 176.67 1jx1 h VAL 115 N 0.58 1.24 0.26 0.00 2.07 -0.38 -1.82 116.25 118.20 1jx1 h VAL 115 Ca 0.15 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1jx1 h VAL 115 Cb 0.20 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1jx1 h VAL 115 CO -0.01 0.29 -0.37 0.00 0.02 0.00 0.00 177.57 177.50 1jx1 h ALA 116 N 0.89 -0.73 -0.22 1.67 0.00 -1.24 -1.38 119.26 118.24 1jx1 h ALA 116 Ca 0.11 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1jx1 h ALA 116 Cb 0.38 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1jx1 h ALA 116 CO 0.01 -0.96 -0.35 1.25 0.00 0.00 0.00 179.25 179.20 1jx1 h HIS 117 N -0.69 -0.98 -0.42 0.00 6.17 -0.99 -0.41 115.15 117.82 1jx1 h HIS 117 Ca -0.00 0.05 0.09 0.00 0.71 0.00 0.00 60.37 61.22 1jx1 h HIS 117 Cb 0.66 0.46 -0.02 0.00 2.52 0.00 0.00 27.41 31.03 1jx1 h HIS 117 CO -0.26 -0.41 0.29 -0.07 0.71 0.00 0.00 177.93 178.19 1jx1 h LEU 118 N -0.37 0.13 -0.38 0.26 3.38 -1.17 -1.51 115.31 115.65 1jx1 h LEU 118 Ca 0.11 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 1jx1 h LEU 118 Cb 0.56 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1jx1 h LEU 118 CO -0.43 0.08 -0.57 0.11 0.09 0.00 0.00 178.44 177.73 1jx1 h LYS 119 N 0.15 0.74 0.00 1.13 1.57 0.04 0.13 116.57 120.33 1jx1 h LYS 119 Ca 0.19 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1jx1 h LYS 119 Cb 0.58 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1jx1 h LYS 119 CO -0.03 1.10 0.00 -1.13 -0.57 0.00 0.00 179.45 178.83 1jx1 n SER 120 N -3.98 0.00 -0.06 0.86 3.41 -0.59 -2.89 113.62 110.38 1jx1 n SER 120 Ca -0.04 -1.04 0.02 0.00 -0.26 0.00 0.00 58.87 57.56 1jx1 n SER 120 Cb 0.63 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.61 1jx1 n SER 120 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jx1 n VAL 121 N -0.96 0.93 -2.18 -3.33 0.24 -1.09 -5.00 118.33 106.94 1jx1 n VAL 121 Ca 0.22 -1.01 -0.18 0.00 -2.04 0.00 0.00 64.34 61.32 1jx1 n VAL 121 Cb 0.10 0.43 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 1jx1 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jx1 n GLY 122 N -0.58 0.06 2.33 7.63 0.00 -1.14 -4.94 105.19 108.55 1jx1 n GLY 122 Ca 0.04 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1jx1 n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jx1 n THR 123 N -3.71 0.91 -3.06 2.61 -2.24 0.02 -4.89 114.28 103.91 1jx1 n THR 123 Ca -0.21 -4.67 -0.19 0.00 -2.27 0.00 0.00 64.05 56.72 1jx1 n THR 123 Cb 0.65 -1.94 -0.03 0.00 -2.10 0.00 0.00 70.33 66.91 1jx1 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jx1 n TYR 124 N 1.03 -1.10 -1.38 4.78 9.36 -1.24 -4.67 117.16 123.95 1jx1 n TYR 124 Ca 0.26 -3.11 0.00 0.00 3.32 0.00 0.00 57.90 58.37 1jx1 n TYR 124 Cb 0.47 0.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.37 1jx1 n TYR 124 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jx1 n GLY 125 N 1.22 0.90 0.23 2.98 0.00 -1.26 -4.77 105.19 104.49 1jx1 n GLY 125 Ca 0.18 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 1jx1 n GLY 125 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jx1 h ASP 126 N 0.00 -0.53 -0.85 1.61 3.32 -1.99 -0.53 116.42 117.45 1jx1 h ASP 126 Ca 0.00 0.07 0.20 0.00 0.02 0.00 0.00 57.03 57.32 1jx1 h ASP 126 Cb 0.00 0.21 -0.12 0.00 0.22 0.00 0.00 39.33 39.64 1jx1 h ASP 126 CO 0.00 -0.26 0.32 0.00 -1.72 0.00 0.00 179.24 177.58 1jx1 h ALA 127 N 0.51 1.28 -0.37 3.45 0.00 -1.98 0.74 119.26 122.88 1jx1 h ALA 127 Ca 0.04 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1jx1 h ALA 127 Cb 0.38 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jx1 h ALA 127 CO -0.13 -0.34 -0.33 0.93 0.00 0.00 0.00 179.25 179.39 1jx1 h GLU 128 N 0.36 0.83 -0.15 0.00 3.07 -1.74 -0.75 114.58 116.20 1jx1 h GLU 128 Ca 0.51 -0.40 -0.14 0.00 -0.50 0.00 0.00 59.36 58.83 1jx1 h GLU 128 Cb 0.94 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 1jx1 h GLU 128 CO -0.53 1.04 -0.52 0.00 -1.40 0.00 0.00 179.01 177.60 1jx1 h ALA 129 N 0.93 0.83 -0.34 3.43 0.00 0.88 -2.38 119.26 122.61 1jx1 h ALA 129 Ca 0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1jx1 h ALA 129 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1jx1 h ALA 129 CO 0.08 0.68 -0.10 0.93 0.00 0.00 0.00 179.25 180.83 1jx1 h GLU 130 N 0.33 0.67 -0.49 0.00 5.08 0.53 -2.67 114.58 118.02 1jx1 h GLU 130 Ca 0.01 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1jx1 h GLU 130 Cb 1.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1jx1 h GLU 130 CO 0.09 0.85 0.12 0.00 -1.00 0.00 0.00 179.01 179.07 1jx1 h ALA 131 N 0.80 1.28 0.00 3.43 0.00 -1.08 -1.49 119.26 122.21 1jx1 h ALA 131 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jx1 h ALA 131 Cb 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jx1 h ALA 131 CO 0.04 0.50 -0.06 0.52 0.00 0.00 0.00 179.25 180.25 1jx1 h MET 132 N 0.73 0.00 0.10 0.00 2.86 -1.35 -1.32 114.93 115.94 1jx1 h MET 132 Ca 0.16 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.52 1jx1 h MET 132 Cb 0.27 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.95 1jx1 h MET 132 CO -0.00 0.06 -1.18 0.37 1.06 0.00 0.00 176.91 177.21 1jx1 h GLN 133 N 0.00 0.52 -0.33 1.72 5.75 -0.94 -2.06 115.11 119.78 1jx1 h GLN 133 Ca -0.00 -0.69 -0.10 0.00 -0.15 0.00 0.00 58.65 57.71 1jx1 h GLN 133 Cb 0.66 0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 1jx1 h GLN 133 CO 0.01 1.30 -0.20 -0.22 -2.65 0.00 0.00 178.83 177.07 1jx1 h LYS 134 N 0.24 0.61 -0.27 1.69 3.64 -1.05 -1.93 116.57 119.49 1jx1 h LYS 134 Ca -0.16 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1jx1 h LYS 134 Cb 1.85 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 1jx1 h LYS 134 CO 0.22 0.77 0.10 0.35 -2.27 0.00 0.00 179.45 178.61 1jx1 h PHE 135 N 0.54 0.43 -0.75 1.91 3.57 -1.18 -1.84 116.94 119.62 1jx1 h PHE 135 Ca 0.09 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1jx1 h PHE 135 Cb 0.64 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1jx1 h PHE 135 CO 0.03 0.45 0.33 0.00 -2.23 0.00 0.00 178.31 176.89 1jx1 h ALA 136 N 0.93 0.97 -0.21 2.41 0.00 -1.22 -2.95 119.26 119.20 1jx1 h ALA 136 Ca 0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1jx1 h ALA 136 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jx1 h ALA 136 CO -0.01 0.56 -0.11 1.49 0.00 0.00 0.00 179.25 181.18 1jx1 h GLU 137 N 1.07 0.34 0.00 0.00 4.57 -1.17 -2.52 114.58 116.87 1jx1 h GLU 137 Ca 0.25 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 1jx1 h GLU 137 Cb 0.16 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1jx1 h GLU 137 CO -0.03 0.47 -0.26 0.00 -1.18 0.00 0.00 179.01 178.00 1jx1 h ALA 138 N 1.56 0.97 0.00 2.92 0.00 -1.16 -3.16 119.26 120.39 1jx1 h ALA 138 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jx1 h ALA 138 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jx1 h ALA 138 CO 0.02 0.33 -0.85 0.74 0.00 0.00 0.00 179.25 179.49 1jx1 h PHE 139 N 0.00 0.00 -0.66 0.00 -1.00 -1.41 -3.41 116.94 110.46 1jx1 h PHE 139 Ca -0.00 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 1jx1 h PHE 139 Cb 0.85 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.34 1jx1 h PHE 139 CO 0.00 0.00 0.32 0.87 -1.61 0.00 0.00 178.31 177.89 1jx1 h LYS 140 N 0.00 0.54 -0.02 1.51 1.57 -1.47 -2.54 116.57 116.16 1jx1 h LYS 140 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1jx1 h LYS 140 Cb 0.99 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1jx1 h LYS 140 CO 0.00 0.36 0.00 -0.35 -0.57 0.00 0.00 179.45 178.89 1jx1 n PRO 141 N -4.88 1.15 -4.03 3.15 -0.04 -1.26 -4.73 135.00 124.36 1jx1 n PRO 141 Ca 0.10 -0.23 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 1jx1 n PRO 141 Cb 0.25 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1jx1 n PRO 141 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jx1 s VAL 142 N -1.97 4.65 0.05 0.52 1.01 -0.96 -5.03 120.40 118.68 1jx1 s VAL 142 Ca 0.35 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1jx1 s VAL 142 Cb 0.17 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1jx1 s VAL 142 CO 0.28 0.10 -0.13 0.21 0.00 0.00 0.00 175.10 175.55 1jx1 s ASN 143 N -2.50 1.57 -0.68 3.32 2.47 -1.26 0.26 114.94 118.12 1jx1 s ASN 143 Ca 0.30 -0.49 0.05 0.00 0.42 0.00 0.00 52.86 53.14 1jx1 s ASN 143 Cb -0.12 -0.08 0.24 0.00 -1.45 0.00 0.00 41.25 39.84 1jx1 s ASN 143 CO 0.23 -0.01 0.73 0.49 -3.72 0.00 0.00 177.10 174.82 1jx1 n PHE 144 N 1.74 3.55 -1.87 0.43 3.01 0.54 -4.88 117.46 119.98 1jx1 n PHE 144 Ca -0.19 -4.13 -0.38 0.00 1.01 0.00 0.00 57.45 53.77 1jx1 n PHE 144 Cb 0.55 -0.61 0.04 0.00 -0.01 0.00 0.00 39.48 39.44 1jx1 n PHE 144 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1jx1 s PRO 145 N -2.29 3.16 0.00 -1.08 0.04 -1.26 -1.93 135.00 131.64 1jx1 s PRO 145 Ca 0.37 2.12 -0.34 0.00 0.04 0.00 0.00 61.00 63.18 1jx1 s PRO 145 Cb 0.11 -2.21 -0.17 0.00 0.04 0.00 0.00 34.50 32.26 1jx1 s PRO 145 CO -0.04 -1.14 0.91 -2.30 0.04 0.00 0.00 177.00 174.48 1jx1 n PRO 146 N -1.08 0.00 0.00 0.56 -0.02 -1.26 -0.49 135.00 132.71 1jx1 n PRO 146 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1jx1 n PRO 146 Cb 0.46 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1jx1 n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jx1 n GLY 147 N 1.31 2.74 3.77 -1.23 0.00 -0.33 -4.98 105.19 106.46 1jx1 n GLY 147 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1jx1 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 s ALA 148 N -2.74 2.56 0.08 4.61 0.00 0.35 -3.17 121.76 123.46 1jx1 s ALA 148 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1jx1 s ALA 148 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1jx1 s ALA 148 CO 0.00 -1.07 -0.07 -1.12 0.00 0.00 0.00 175.76 173.50 1jx1 s SER 149 N -2.00 1.05 -0.10 0.00 0.01 0.23 -2.37 113.70 110.54 1jx1 s SER 149 Ca 0.72 -0.90 0.04 0.00 1.31 0.00 0.00 55.95 57.12 1jx1 s SER 149 Cb -0.24 0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.07 1jx1 s SER 149 CO 0.34 -0.41 -0.24 0.54 0.41 0.00 0.00 173.24 173.88 1jx1 s VAL 150 N -3.13 2.09 -0.25 3.43 0.11 -0.54 -0.09 120.40 122.02 1jx1 s VAL 150 Ca 0.07 -1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 58.08 1jx1 s VAL 150 Cb 0.02 -1.79 0.02 0.00 -1.53 0.00 0.00 36.38 33.10 1jx1 s VAL 150 CO -0.04 0.56 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.88 1jx1 s PHE 151 N 0.28 3.07 -0.36 1.54 0.08 0.25 -1.01 117.98 121.82 1jx1 s PHE 151 Ca -0.17 -1.48 -0.17 0.00 0.12 0.00 0.00 56.93 55.23 1jx1 s PHE 151 Cb -0.17 -2.08 -0.00 0.00 -0.57 0.00 0.00 43.02 40.20 1jx1 s PHE 151 CO 0.08 -0.71 0.46 0.71 -0.10 0.00 0.00 175.22 175.66 1jx1 s TYR 152 N 1.34 3.18 -0.48 0.36 1.51 0.20 -1.40 117.35 122.06 1jx1 s TYR 152 Ca 0.01 0.01 -0.15 0.00 -1.01 0.00 0.00 57.07 55.93 1jx1 s TYR 152 Cb -0.17 -2.85 0.09 0.00 -0.11 0.00 0.00 41.96 38.92 1jx1 s TYR 152 CO -0.04 -0.54 0.41 0.50 -1.11 0.00 0.00 175.55 174.77 1jx1 s ARG 153 N 2.25 2.94 -0.63 -0.62 3.52 0.04 -0.34 118.95 126.10 1jx1 s ARG 153 Ca 0.16 -1.46 -0.22 0.00 -0.13 0.00 0.00 55.73 54.07 1jx1 s ARG 153 Cb -0.16 -4.14 0.07 0.00 -1.56 0.00 0.00 34.95 29.16 1jx1 s ARG 153 CO 0.13 -1.10 0.92 -1.14 -0.81 0.00 0.00 175.30 173.30 1jx1 s GLN 154 N 1.61 3.14 0.53 5.12 0.74 0.72 -0.91 119.66 130.61 1jx1 s GLN 154 Ca 0.04 -0.78 -0.19 0.00 0.05 0.00 0.00 55.36 54.48 1jx1 s GLN 154 Cb -0.26 -4.19 -0.06 0.00 1.10 0.00 0.00 33.01 29.60 1jx1 s GLN 154 CO 0.05 -1.71 1.08 0.45 -0.55 0.00 0.00 175.29 174.62 1jx1 s SER 155 N 3.48 5.94 0.40 6.67 0.15 0.65 -1.33 113.70 129.65 1jx1 s SER 155 Ca 0.22 2.02 0.25 0.00 0.70 0.00 0.00 55.95 59.14 1jx1 s SER 155 Cb -0.17 -2.56 0.55 0.00 -1.71 0.00 0.00 66.02 62.12 1jx1 s SER 155 CO 0.11 -1.06 1.68 1.55 1.20 0.00 0.00 173.24 176.72 1jx1 h PRO 156 N 1.17 0.00 -0.76 5.44 0.13 -1.86 -3.17 132.00 132.95 1jx1 h PRO 156 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1jx1 h PRO 156 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jx1 h PRO 156 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 1jx1 n ASP 157 N -2.91 2.41 0.00 1.44 8.00 -1.26 -4.86 116.55 119.37 1jx1 n ASP 157 Ca 0.04 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.27 1jx1 n ASP 157 Cb 0.48 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1jx1 n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jx1 n GLY 158 N 0.32 0.51 3.65 0.44 0.00 -1.20 -4.98 105.19 103.93 1jx1 n GLY 158 Ca 0.09 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1jx1 n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jx1 s ILE 159 N -2.00 4.02 -0.28 -0.61 -1.09 -1.25 -2.72 121.20 117.27 1jx1 s ILE 159 Ca 0.00 -0.60 0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1jx1 s ILE 159 Cb 0.00 -2.76 0.07 0.00 -1.58 0.00 0.00 42.46 38.20 1jx1 s ILE 159 CO 0.00 0.42 -0.02 -0.22 -1.23 0.00 0.00 174.94 173.89 1jx1 s LEU 160 N -1.40 3.31 0.05 2.97 2.96 0.10 -0.25 118.68 126.42 1jx1 s LEU 160 Ca 0.18 -1.53 -0.16 0.00 -0.22 0.00 0.00 54.13 52.40 1jx1 s LEU 160 Cb -0.11 -1.35 -0.06 0.00 0.50 0.00 0.00 46.19 45.17 1jx1 s LEU 160 CO 0.08 -0.28 0.48 -0.83 -1.32 0.00 0.00 176.35 174.47 1jx1 s GLY 161 N 1.22 2.53 -0.17 7.98 0.00 -0.08 0.16 107.32 118.95 1jx1 s GLY 161 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1jx1 s GLY 161 CO -0.08 0.22 -0.17 1.08 0.00 0.00 0.00 173.10 174.14 1jx1 s LEU 162 N -1.28 2.31 0.01 0.66 1.43 0.15 -0.78 118.68 121.18 1jx1 s LEU 162 Ca 0.28 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1jx1 s LEU 162 Cb -0.17 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1jx1 s LEU 162 CO 0.16 0.03 -0.18 -0.44 0.23 0.00 0.00 176.35 176.15 1jx1 s SER 163 N 1.13 2.15 -0.03 2.29 0.01 -0.49 -0.14 113.70 118.61 1jx1 s SER 163 Ca 0.01 -0.40 0.05 0.00 1.31 0.00 0.00 55.95 56.91 1jx1 s SER 163 Cb -0.14 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 1jx1 s SER 163 CO -0.07 0.17 -0.18 -0.36 0.41 0.00 0.00 173.24 173.22 1jx1 s PHE 164 N -0.60 1.71 0.05 2.43 0.40 -1.26 0.84 117.98 121.54 1jx1 s PHE 164 Ca 0.06 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1jx1 s PHE 164 Cb -0.08 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 1jx1 s PHE 164 CO 0.00 -0.11 -0.08 0.45 0.70 0.00 0.00 175.22 176.18 1jx1 s SER 165 N -0.16 0.94 0.35 1.36 0.15 0.87 -4.83 113.70 112.38 1jx1 s SER 165 Ca 0.01 -0.57 0.08 0.00 0.70 0.00 0.00 55.95 56.17 1jx1 s SER 165 Cb -0.10 0.03 0.65 0.00 -1.71 0.00 0.00 66.02 64.90 1jx1 s SER 165 CO 0.01 -0.20 1.83 -0.65 1.20 0.00 0.00 173.24 175.43 1jx1 h PRO 166 N 4.42 0.24 0.00 5.44 0.11 -1.89 0.69 132.00 141.01 1jx1 h PRO 166 Ca -0.36 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jx1 h PRO 166 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1jx1 h PRO 166 CO 0.41 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1jx1 n ASP 167 N -4.18 0.00 -1.10 -2.05 5.68 -1.26 -3.27 116.55 110.37 1jx1 n ASP 167 Ca -0.01 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.37 1jx1 n ASP 167 Cb 0.35 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.59 1jx1 n ASP 167 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1jx1 n THR 168 N 0.00 1.36 -2.79 2.12 -2.24 -1.19 -2.37 114.28 109.17 1jx1 n THR 168 Ca 0.00 -1.15 -0.34 0.00 -2.27 0.00 0.00 64.05 60.29 1jx1 n THR 168 Cb 0.00 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 1jx1 n THR 168 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jx1 s SER 169 N -1.08 7.04 -0.09 3.42 1.04 -1.26 -5.03 113.70 117.74 1jx1 s SER 169 Ca 0.39 1.76 -0.24 0.00 0.48 0.00 0.00 55.95 58.34 1jx1 s SER 169 Cb 0.23 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 1jx1 s SER 169 CO 0.22 -0.29 0.72 -0.51 0.98 0.00 0.00 173.24 174.36 1jx1 s ILE 170 N -1.98 5.02 0.98 -1.02 2.07 -1.26 -4.78 121.20 120.22 1jx1 s ILE 170 Ca 0.58 1.47 -0.11 0.00 -1.41 0.00 0.00 60.65 61.18 1jx1 s ILE 170 Cb -0.13 -4.05 0.18 0.00 0.13 0.00 0.00 42.46 38.59 1jx1 s ILE 170 CO 0.17 0.20 1.10 -2.84 -1.91 0.00 0.00 174.94 171.67 1jx1 s PRO 171 N 1.10 0.54 0.12 3.50 0.02 -1.26 -4.97 135.00 134.05 1jx1 s PRO 171 Ca 0.37 1.24 0.20 0.00 0.02 0.00 0.00 61.00 62.84 1jx1 s PRO 171 Cb -0.17 -1.69 -0.09 0.00 0.02 0.00 0.00 34.50 32.56 1jx1 s PRO 171 CO 0.17 -2.85 0.88 0.39 -0.33 0.00 0.00 177.00 175.25 1jx1 n GLU 172 N -4.36 0.62 -4.25 5.54 -0.58 -1.26 -4.61 120.64 111.74 1jx1 n GLU 172 Ca 0.09 0.13 -0.14 0.00 -0.42 0.00 0.00 57.16 56.81 1jx1 n GLU 172 Cb 0.53 -1.78 -0.10 0.00 -0.57 0.00 0.00 31.44 29.52 1jx1 n GLU 172 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1jx1 s LYS 173 N -3.19 1.11 -0.04 3.49 1.02 -1.26 -4.46 119.74 116.40 1jx1 s LYS 173 Ca -0.02 -1.51 -0.01 0.00 0.02 0.00 0.00 55.97 54.45 1jx1 s LYS 173 Cb 0.10 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1jx1 s LYS 173 CO 0.81 -0.06 0.03 -1.21 -0.92 0.00 0.00 175.35 174.00 1jx1 s GLU 174 N -3.85 2.95 0.40 1.68 2.02 -1.26 -4.81 118.70 115.82 1jx1 s GLU 174 Ca 0.21 -0.48 0.25 0.00 0.02 0.00 0.00 54.97 54.96 1jx1 s GLU 174 Cb 0.05 -2.78 0.54 0.00 0.10 0.00 0.00 34.13 32.04 1jx1 s GLU 174 CO 0.03 0.67 1.68 0.00 0.02 0.00 0.00 175.26 177.65 1jx1 h ALA 175 N 4.61 1.00 -1.79 5.21 0.00 -0.93 -3.47 119.26 123.90 1jx1 h ALA 175 Ca -0.50 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1jx1 h ALA 175 Cb 1.19 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 1jx1 h ALA 175 CO 0.57 0.00 0.35 0.00 0.00 0.00 0.00 179.25 180.17 1jx1 s ALA 176 N -3.23 -1.86 -0.20 0.00 0.00 -1.16 -5.00 121.76 110.31 1jx1 s ALA 176 Ca 0.07 1.55 0.02 0.00 0.00 0.00 0.00 51.96 53.60 1jx1 s ALA 176 Cb 0.07 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.68 1jx1 s ALA 176 CO 0.64 -0.33 -0.16 -0.51 0.00 0.00 0.00 175.76 175.40 1jx1 s LEU 177 N -0.85 2.50 -0.35 0.00 1.43 -1.26 0.33 118.68 120.48 1jx1 s LEU 177 Ca -0.05 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.05 1jx1 s LEU 177 Cb -0.01 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1jx1 s LEU 177 CO 0.04 -0.08 0.21 -0.63 0.23 0.00 0.00 176.35 176.12 1jx1 s ILE 178 N 1.26 4.84 -1.05 -0.59 1.01 0.12 -4.93 121.20 121.86 1jx1 s ILE 178 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1jx1 s ILE 178 Cb -0.15 -3.57 0.18 0.00 0.01 0.00 0.00 42.46 38.92 1jx1 s ILE 178 CO -0.10 -0.09 1.21 -1.61 0.00 0.00 0.00 174.94 174.35 1jx1 s GLU 179 N 1.63 3.87 -0.26 2.79 2.02 -1.26 -0.72 118.70 126.78 1jx1 s GLU 179 Ca 0.04 -2.35 -0.08 0.00 0.02 0.00 0.00 54.97 52.59 1jx1 s GLU 179 Cb -0.18 -4.88 0.11 0.00 0.10 0.00 0.00 34.13 29.29 1jx1 s GLU 179 CO 0.08 -1.65 0.55 1.21 0.02 0.00 0.00 175.26 175.47 1jx1 s ASN 180 N 2.85 -0.76 0.10 -0.19 2.47 -1.10 -5.04 114.94 113.27 1jx1 s ASN 180 Ca 0.35 1.30 -0.35 0.00 0.42 0.00 0.00 52.86 54.58 1jx1 s ASN 180 Cb -0.05 1.88 -0.16 0.00 -1.45 0.00 0.00 41.25 41.47 1jx1 s ASN 180 CO -0.05 -0.23 1.56 0.50 -3.72 0.00 0.00 177.10 175.16 1jx1 h LYS 181 N 8.08 -0.85 -0.71 0.43 1.63 -1.92 -0.41 116.57 122.81 1jx1 h LYS 181 Ca -0.17 0.06 0.09 0.00 -0.85 0.00 0.00 60.65 59.78 1jx1 h LYS 181 Cb 1.11 0.19 -0.07 0.00 -0.60 0.00 0.00 32.23 32.86 1jx1 h LYS 181 CO 0.11 -0.57 0.36 0.00 -3.45 0.00 0.00 179.45 175.91 1jx1 h ALA 182 N -0.69 0.97 -0.16 5.00 0.00 -1.94 -1.96 119.26 120.50 1jx1 h ALA 182 Ca -0.03 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1jx1 h ALA 182 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1jx1 h ALA 182 CO -0.17 -0.03 -0.48 0.28 0.00 0.00 0.00 179.25 178.85 1jx1 h VAL 183 N 0.62 1.33 -0.47 0.00 2.07 -1.90 -2.73 116.25 115.17 1jx1 h VAL 183 Ca 0.34 -1.69 0.10 0.00 0.82 0.00 0.00 66.70 66.27 1jx1 h VAL 183 Cb 0.34 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1jx1 h VAL 183 CO -0.26 0.52 0.32 0.77 0.02 0.00 0.00 177.57 178.94 1jx1 h SER 184 N 0.32 0.19 0.10 0.57 4.64 -0.26 -1.53 113.55 117.59 1jx1 h SER 184 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1jx1 h SER 184 Cb 0.96 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1jx1 h SER 184 CO 0.08 0.11 -1.31 -1.54 -0.87 0.00 0.00 176.83 173.31 1jx1 n SER 185 N -4.45 0.60 -0.19 4.97 3.41 -1.19 -4.53 113.62 112.24 1jx1 n SER 185 Ca 0.07 -0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 58.17 1jx1 n SER 185 Cb 0.39 1.26 0.09 0.00 -0.26 0.00 0.00 64.21 65.70 1jx1 n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jx1 h ALA 186 N 2.59 0.70 -0.30 7.33 0.00 -0.95 0.22 119.26 128.86 1jx1 h ALA 186 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jx1 h ALA 186 Cb 0.70 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1jx1 h ALA 186 CO 0.00 -0.24 0.18 0.28 0.00 0.00 0.00 179.25 179.47 1jx1 h VAL 187 N 0.34 1.10 -0.07 0.00 2.07 -1.80 -1.12 116.25 116.78 1jx1 h VAL 187 Ca 0.29 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 1jx1 h VAL 187 Cb 0.37 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1jx1 h VAL 187 CO -0.32 0.10 -0.46 0.25 0.02 0.00 0.00 177.57 177.17 1jx1 h LEU 188 N 0.38 0.18 -0.94 2.57 5.85 -1.79 -2.66 115.31 118.90 1jx1 h LEU 188 Ca 0.11 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1jx1 h LEU 188 Cb 0.01 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1jx1 h LEU 188 CO -0.02 0.61 0.48 -0.08 -0.34 0.00 0.00 178.44 179.09 1jx1 h GLU 189 N 0.14 1.23 0.00 1.25 4.57 -0.45 -2.10 114.58 119.21 1jx1 h GLU 189 Ca 0.01 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1jx1 h GLU 189 Cb 0.86 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1jx1 h GLU 189 CO 0.07 0.90 0.00 1.79 -1.18 0.00 0.00 179.01 180.59 1jx1 h THR 190 N 1.23 0.00 0.00 0.32 1.35 -0.86 -1.23 112.91 113.72 1jx1 h THR 190 Ca 0.31 -0.52 -0.36 0.00 -0.55 0.00 0.00 66.41 65.29 1jx1 h THR 190 Cb 0.03 1.48 -0.07 0.00 -1.73 0.00 0.00 68.15 67.86 1jx1 h THR 190 CO -0.05 0.00 -2.31 0.23 -0.25 0.00 0.00 175.52 173.14 1jx1 n MET 191 N -2.94 0.68 0.00 4.72 2.81 -0.92 -4.39 117.12 117.07 1jx1 n MET 191 Ca 0.01 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1jx1 n MET 191 Cb 0.32 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1jx1 n MET 191 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1jx1 n ILE 192 N -2.90 0.00 -1.58 2.02 -5.35 -0.84 -4.65 119.36 106.06 1jx1 n ILE 192 Ca -0.33 -0.27 -0.30 0.00 -0.27 0.00 0.00 62.75 61.59 1jx1 n ILE 192 Cb 1.11 1.45 0.19 0.00 -1.74 0.00 0.00 39.64 40.65 1jx1 n ILE 192 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1jx1 s GLY 193 N -0.02 1.66 0.19 3.28 0.00 -0.47 -4.88 107.32 107.10 1jx1 s GLY 193 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 44.72 43.54 1jx1 s GLY 193 CO 0.00 -0.20 1.55 -2.09 0.00 0.00 0.00 173.10 172.36 1jx1 h GLU 194 N -1.86 -0.02 -1.60 2.90 4.81 -1.92 -2.00 114.58 114.89 1jx1 h GLU 194 Ca -0.46 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.36 1jx1 h GLU 194 Cb 1.28 0.01 -0.16 0.00 0.63 0.00 0.00 28.75 30.50 1jx1 h GLU 194 CO 0.44 -0.02 0.46 0.72 -0.73 0.00 0.00 179.01 179.89 1jx1 n HIS 195 N -5.37 1.74 -2.59 0.92 8.25 -1.26 -4.95 115.22 111.95 1jx1 n HIS 195 Ca 0.06 -2.07 -0.41 0.00 -0.26 0.00 0.00 57.72 55.04 1jx1 n HIS 195 Cb 0.34 -1.12 -0.05 0.00 1.12 0.00 0.00 29.99 30.28 1jx1 n HIS 195 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jx1 s ALA 196 N -2.01 3.35 0.04 -1.41 0.00 -0.75 -4.98 121.76 116.01 1jx1 s ALA 196 Ca 0.42 0.75 -0.33 0.00 0.00 0.00 0.00 51.96 52.80 1jx1 s ALA 196 Cb 0.31 -3.30 -0.18 0.00 0.00 0.00 0.00 23.12 19.94 1jx1 s ALA 196 CO -0.06 -0.07 1.42 0.28 0.00 0.00 0.00 175.76 177.33 1jx1 h VAL 197 N 3.48 0.00 -3.29 0.00 2.07 -1.89 -3.43 116.25 113.19 1jx1 h VAL 197 Ca -0.45 -0.07 -0.63 0.00 0.82 0.00 0.00 66.70 66.37 1jx1 h VAL 197 Cb 1.21 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.80 1jx1 h VAL 197 CO 0.70 0.00 -0.61 -0.44 0.02 0.00 0.00 177.57 177.24 1jx1 s SER 198 N -4.00 5.23 0.53 0.57 0.01 -1.26 -5.01 113.70 109.77 1jx1 s SER 198 Ca -0.17 -0.00 0.29 0.00 1.31 0.00 0.00 55.95 57.38 1jx1 s SER 198 Cb 0.02 -1.84 1.46 0.00 0.21 0.00 0.00 66.02 65.87 1jx1 s SER 198 CO 0.52 0.19 2.06 1.55 0.41 0.00 0.00 173.24 177.97 1jx1 h PRO 199 N 6.53 0.00 -0.65 12.44 0.13 -1.93 -3.37 132.00 145.16 1jx1 h PRO 199 Ca -0.36 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.86 1jx1 h PRO 199 Cb 1.18 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1jx1 h PRO 199 CO 0.66 0.11 -0.29 -0.40 -0.23 0.00 0.00 178.00 177.84 1jx1 n ASP 200 N -3.48 -0.50 0.03 1.44 5.75 -1.26 -0.93 116.55 117.61 1jx1 n ASP 200 Ca -0.01 1.14 -0.13 0.00 -0.01 0.00 0.00 54.79 55.78 1jx1 n ASP 200 Cb 0.26 -0.23 -0.09 0.00 -1.03 0.00 0.00 41.12 40.03 1jx1 n ASP 200 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1jx1 h LEU 201 N 0.00 -0.05 -0.94 -2.12 4.07 -1.79 -2.28 115.31 112.20 1jx1 h LEU 201 Ca 0.19 -0.26 0.09 0.00 0.08 0.00 0.00 57.88 57.98 1jx1 h LEU 201 Cb 0.35 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.03 1jx1 h LEU 201 CO -0.63 0.24 0.58 0.11 -1.08 0.00 0.00 178.44 177.65 1jx1 h LYS 202 N -0.35 0.96 -0.58 1.13 1.57 -1.40 -1.79 116.57 116.11 1jx1 h LYS 202 Ca -0.01 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1jx1 h LYS 202 Cb 0.31 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1jx1 h LYS 202 CO 0.01 0.64 0.13 0.00 -0.57 0.00 0.00 179.45 179.65 1jx1 h ARG 203 N 0.99 0.94 -0.60 3.15 3.08 -0.98 -2.42 114.38 118.56 1jx1 h ARG 203 Ca 0.44 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1jx1 h ARG 203 Cb 0.32 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1jx1 h ARG 203 CO -0.22 0.88 0.19 0.00 -1.07 0.00 0.00 179.97 179.74 1jx1 h LEU 205 N 0.85 0.35 -0.82 0.00 3.38 -1.27 -1.47 115.31 116.33 1jx1 h LEU 205 Ca 0.19 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1jx1 h LEU 205 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1jx1 h LEU 205 CO -0.01 0.64 -0.43 0.00 0.09 0.00 0.00 178.44 178.73 1jx1 h ALA 206 N 1.39 0.99 -0.10 1.53 0.00 -1.19 -2.26 119.26 119.62 1jx1 h ALA 206 Ca 0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1jx1 h ALA 206 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jx1 h ALA 206 CO 0.05 0.62 -0.33 0.00 0.00 0.00 0.00 179.25 179.60 1jx1 h ALA 207 N 1.26 0.17 0.00 0.00 0.00 -0.84 -3.37 119.26 116.49 1jx1 h ALA 207 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jx1 h ALA 207 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1jx1 h ALA 207 CO 0.07 0.23 -0.79 0.00 0.00 0.00 0.00 179.25 178.76 1jx1 h ARG 208 N -0.05 0.00 0.02 0.00 3.08 -1.32 -3.40 114.38 112.71 1jx1 h ARG 208 Ca -0.01 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 1jx1 h ARG 208 Cb 0.95 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.02 1jx1 h ARG 208 CO 0.07 0.00 -0.95 -0.07 -1.07 0.00 0.00 179.97 177.95 1jx1 h LEU 209 N 0.00 0.81 -0.75 3.04 -0.00 -1.56 -3.34 115.31 113.51 1jx1 h LEU 209 Ca 0.00 -0.76 0.17 0.00 -0.00 0.00 0.00 57.88 57.29 1jx1 h LEU 209 Cb 0.82 -0.25 -0.12 0.00 -0.00 0.00 0.00 40.66 41.12 1jx1 h LEU 209 CO 0.00 1.46 0.15 -0.65 -0.00 0.00 0.00 178.44 179.40 1jx1 h PRO 210 N 0.24 0.22 -0.51 1.13 0.11 -1.77 0.12 132.00 131.54 1jx1 h PRO 210 Ca -0.12 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.07 1jx1 h PRO 210 Cb 1.62 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.61 1jx1 h PRO 210 CO 0.19 0.15 0.04 0.00 -0.21 0.00 0.00 178.00 178.17 1jx1 h ALA 211 N 1.64 0.52 0.32 -0.75 0.00 -1.83 -3.12 119.26 116.05 1jx1 h ALA 211 Ca 0.43 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 1jx1 h ALA 211 Cb 0.75 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1jx1 h ALA 211 CO -0.55 -0.36 -0.16 -0.07 0.00 0.00 0.00 179.25 178.12 1jx1 h LEU 212 N 0.17 -0.37 -0.94 0.00 3.38 -1.25 -3.29 115.31 113.01 1jx1 h LEU 212 Ca 0.26 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jx1 h LEU 212 Cb 0.38 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jx1 h LEU 212 CO -0.39 0.07 0.56 -0.07 0.09 0.00 0.00 178.44 178.71 1jx1 h LEU 213 N -0.93 0.00 0.00 1.67 3.38 -0.82 0.16 115.31 118.77 1jx1 h LEU 213 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jx1 h LEU 213 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jx1 h LEU 213 CO 0.07 0.00 -0.94 0.59 0.09 0.00 0.00 178.44 178.25 1jx1 n ASN 214 N -2.45 0.70 -1.75 -0.43 4.13 -1.18 -3.91 115.26 110.37 1jx1 n ASN 214 Ca -0.01 -0.50 -0.14 0.00 1.68 0.00 0.00 54.58 55.61 1jx1 n ASN 214 Cb 0.58 0.80 0.12 0.00 -1.54 0.00 0.00 39.78 39.74 1jx1 n ASN 214 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1jx1 n GLU 215 N -1.69 1.86 0.00 3.52 1.02 0.57 -4.98 120.64 120.93 1jx1 n GLU 215 Ca 0.03 -1.88 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 1jx1 n GLU 215 Cb 0.38 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1jx1 n GLU 215 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jx1 n GLY 216 N -0.49 1.35 1.72 0.62 0.00 -1.25 -4.69 105.19 102.44 1jx1 n GLY 216 Ca 0.37 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 1jx1 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 n ALA 217 N 5.87 0.26 -3.33 4.61 0.00 -1.26 -4.12 120.51 122.54 1jx1 n ALA 217 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 53.44 52.41 1jx1 n ALA 217 Cb 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1jx1 n ALA 217 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1jx1 s PHE 218 N -1.65 -1.13 -0.18 0.00 5.36 -1.26 -4.91 117.98 114.21 1jx1 s PHE 218 Ca 0.05 1.54 -0.00 0.00 -0.96 0.00 0.00 56.93 57.55 1jx1 s PHE 218 Cb -0.00 0.52 0.00 0.00 -0.34 0.00 0.00 43.02 43.20 1jx1 s PHE 218 CO 0.03 -0.59 -0.14 0.21 -1.46 0.00 0.00 175.22 173.26 1jx1 s LYS 219 N 2.79 3.19 -1.09 10.12 2.20 -1.26 -4.27 119.74 131.42 1jx1 s LYS 219 Ca 0.05 -0.75 -0.21 0.00 -0.36 0.00 0.00 55.97 54.70 1jx1 s LYS 219 Cb -0.11 -2.69 0.06 0.00 -1.51 0.00 0.00 37.83 33.58 1jx1 s LYS 219 CO -0.18 -0.09 1.49 0.42 -0.36 0.00 0.00 175.35 176.63 1jx1 s ILE 220 N 1.09 4.06 0.00 5.43 1.01 -1.26 -4.86 121.20 126.67 1jx1 s ILE 220 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1jx1 s ILE 220 Cb -0.14 -5.07 0.00 0.00 0.01 0.00 0.00 42.46 37.26 1jx1 s ILE 220 CO -0.04 -1.92 0.00 0.61 0.00 0.00 0.00 174.94 173.59 1jx1 n GLY 221 N 6.35 0.00 0.00 6.18 0.00 -1.26 -4.94 105.19 111.52 1jx1 n GLY 221 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1jx1 n GLY 221 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31