#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jx1 n ALA 3 N 0.00 -0.09 -4.48 0.00 0.00 -1.26 -5.03 120.51 109.65 1jx1 n ALA 3 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1jx1 n ALA 3 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1jx1 n ALA 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jx1 n SER 4 N 0.00 2.42 -2.28 0.00 7.64 -1.26 -5.03 113.62 115.11 1jx1 n SER 4 Ca 0.00 -2.75 -0.00 0.00 1.01 0.00 0.00 58.87 57.12 1jx1 n SER 4 Cb 0.00 0.48 -0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1jx1 n SER 4 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1jx1 n ILE 5 N -0.91 -9.13 -4.58 0.44 2.08 -1.26 -5.04 119.36 100.96 1jx1 n ILE 5 Ca -0.12 2.14 -0.27 0.00 0.56 0.00 0.00 62.75 65.06 1jx1 n ILE 5 Cb 0.50 -4.66 -0.11 0.00 -0.75 0.00 0.00 39.64 34.63 1jx1 n ILE 5 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1jx1 s THR 6 N -0.41 1.76 0.48 1.39 -4.23 -1.26 -4.93 115.64 108.45 1jx1 s THR 6 Ca -0.01 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1jx1 s THR 6 Cb 0.00 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 1jx1 s THR 6 CO 0.03 0.00 0.76 0.00 -0.54 0.00 0.00 174.62 174.87 1jx1 s ALA 7 N -2.86 3.50 -0.09 3.99 0.00 -1.26 -4.11 121.76 120.92 1jx1 s ALA 7 Ca 0.34 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1jx1 s ALA 7 Cb 0.09 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.82 1jx1 s ALA 7 CO 0.17 -0.43 -0.03 0.42 0.00 0.00 0.00 175.76 175.89 1jx1 s ILE 8 N -2.71 0.64 -0.24 0.00 1.01 -1.05 -4.91 121.20 113.94 1jx1 s ILE 8 Ca 0.48 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.99 1jx1 s ILE 8 Cb -0.10 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1jx1 s ILE 8 CO 0.42 0.29 0.08 -0.89 0.00 0.00 0.00 174.94 174.84 1jx1 s THR 9 N 1.86 4.50 -0.39 2.92 2.01 -1.26 -1.15 115.64 124.13 1jx1 s THR 9 Ca 0.05 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 1jx1 s THR 9 Cb -0.13 -3.09 0.09 0.00 0.01 0.00 0.00 72.50 69.38 1jx1 s THR 9 CO -0.07 0.35 0.18 -0.69 -0.69 0.00 0.00 174.62 173.70 1jx1 s VAL 10 N 1.41 3.52 -1.28 3.82 1.01 -0.69 -4.64 120.40 123.55 1jx1 s VAL 10 Ca 0.06 -1.70 -0.05 0.00 0.00 0.00 0.00 61.98 60.29 1jx1 s VAL 10 Cb -0.15 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1jx1 s VAL 10 CO 0.04 -0.50 0.62 -0.62 0.00 0.00 0.00 175.10 174.64 1jx1 n GLU 11 N 4.70 -4.69 -1.31 2.72 -0.58 -1.26 -1.76 120.64 118.46 1jx1 n GLU 11 Ca -0.07 0.75 -0.08 0.00 -0.42 0.00 0.00 57.16 57.35 1jx1 n GLU 11 Cb 0.42 -5.33 -0.03 0.00 -0.57 0.00 0.00 31.44 25.93 1jx1 n GLU 11 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1jx1 n ASN 12 N -1.93 -3.83 -4.08 1.62 3.02 -1.26 -4.96 115.26 103.83 1jx1 n ASN 12 Ca -0.07 0.17 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 1jx1 n ASN 12 Cb 0.59 -2.12 -0.10 0.00 -0.61 0.00 0.00 39.78 37.54 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 -1.80 5.13 0.27 3.41 1.43 -0.72 -5.07 118.68 121.32 1jx1 s LEU 13 Ca 0.00 -2.75 -0.29 0.00 -1.03 0.00 0.00 54.13 50.06 1jx1 s LEU 13 Cb 0.00 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 1jx1 s LEU 13 CO 0.00 -0.38 1.17 -0.70 0.23 0.00 0.00 176.35 176.67 1jx1 s GLU 14 N 0.09 4.54 -0.56 1.70 2.12 -1.26 -1.70 118.70 123.63 1jx1 s GLU 14 Ca 0.16 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.41 1jx1 s GLU 14 Cb -0.21 -3.17 0.14 0.00 0.26 0.00 0.00 34.13 31.15 1jx1 s GLU 14 CO -0.03 0.05 0.34 0.71 -0.54 0.00 0.00 175.26 175.78 1jx1 s TYR 15 N -0.90 3.34 0.15 5.30 1.51 -0.30 -4.97 117.35 121.48 1jx1 s TYR 15 Ca 0.47 -2.92 -0.34 0.00 -1.01 0.00 0.00 57.07 53.28 1jx1 s TYR 15 Cb -0.34 -3.03 -0.16 0.00 -0.11 0.00 0.00 41.96 38.32 1jx1 s TYR 15 CO 0.43 -0.81 1.20 -2.30 -1.11 0.00 0.00 175.55 172.96 1jx1 n PRO 16 N 3.40 1.13 -0.40 -1.71 -0.02 -1.26 -2.54 135.00 133.60 1jx1 n PRO 16 Ca 0.06 0.40 0.33 0.00 -2.02 0.00 0.00 63.50 62.27 1jx1 n PRO 16 Cb 0.36 -1.94 0.62 0.00 -0.02 0.00 0.00 33.50 32.52 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 3.67 2.67 -2.73 3.55 0.00 -1.92 -3.42 119.26 121.08 1jx1 h ALA 17 Ca -0.44 0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 1jx1 h ALA 17 Cb 1.34 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 19.08 1jx1 h ALA 17 CO 0.72 -1.19 -0.72 0.08 0.00 0.00 0.00 179.25 178.14 1jx1 s VAL 18 N -5.30 0.60 0.08 0.00 1.01 -1.26 0.44 120.40 115.97 1jx1 s VAL 18 Ca -0.08 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.32 1jx1 s VAL 18 Cb 0.27 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1jx1 s VAL 18 CO 0.82 -0.61 0.25 0.68 0.00 0.00 0.00 175.10 176.23 1jx1 s VAL 19 N -2.43 0.12 0.15 2.92 -7.23 -0.76 -5.00 120.40 108.17 1jx1 s VAL 19 Ca -0.00 -0.95 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 1jx1 s VAL 19 Cb -0.03 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 1jx1 s VAL 19 CO -0.02 -0.53 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.23 1jx1 s THR 20 N -3.48 1.36 -0.05 5.32 2.01 -1.26 -1.23 115.64 118.30 1jx1 s THR 20 Ca 0.02 -1.96 0.03 0.00 0.31 0.00 0.00 61.69 60.08 1jx1 s THR 20 Cb 0.03 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.78 1jx1 s THR 20 CO -0.09 -0.59 -0.13 -0.94 -0.69 0.00 0.00 174.62 172.18 1jx1 s SER 21 N -2.93 1.79 0.02 3.53 1.04 -1.01 -4.93 113.70 111.21 1jx1 s SER 21 Ca 0.15 -0.30 0.20 0.00 0.48 0.00 0.00 55.95 56.49 1jx1 s SER 21 Cb -0.01 -0.70 0.85 0.00 0.10 0.00 0.00 66.02 66.26 1jx1 s SER 21 CO 0.03 0.07 1.64 -0.81 0.98 0.00 0.00 173.24 175.15 1jx1 n PRO 22 N 3.57 0.02 0.05 4.02 -0.04 -1.26 0.60 135.00 141.97 1jx1 n PRO 22 Ca -0.21 0.18 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 1jx1 n PRO 22 Cb 0.52 -1.53 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 1jx1 n PRO 22 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jx1 h VAL 23 N 0.00 1.50 0.00 0.52 2.07 -1.83 -3.40 116.25 115.11 1jx1 h VAL 23 Ca 0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1jx1 h VAL 23 Cb 0.36 3.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1jx1 h VAL 23 CO 0.00 0.71 -0.36 0.35 0.02 0.00 0.00 177.57 178.30 1jx1 n THR 24 N -4.12 0.00 -0.98 2.57 -2.24 -1.21 -4.99 114.28 103.31 1jx1 n THR 24 Ca -0.14 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1jx1 n THR 24 Cb 0.82 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 1.39 0.39 3.95 3.38 0.00 0.20 -5.01 105.19 109.49 1jx1 n GLY 25 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.58 2.36 0.05 1.61 1.02 -1.25 -4.80 119.74 118.15 1jx1 s LYS 26 Ca 0.00 -0.46 0.09 0.00 0.02 0.00 0.00 55.97 55.62 1jx1 s LYS 26 Cb 0.00 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1jx1 s LYS 26 CO 0.00 -1.01 -0.26 -1.12 -0.92 0.00 0.00 175.35 172.04 1jx1 s SER 27 N -4.47 3.12 0.06 2.83 0.01 -1.26 -2.39 113.70 111.59 1jx1 s SER 27 Ca 0.59 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 57.26 1jx1 s SER 27 Cb -0.11 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 1jx1 s SER 27 CO 0.42 0.24 -0.06 -0.31 0.41 0.00 0.00 173.24 173.95 1jx1 s TYR 28 N -0.83 0.66 0.16 2.43 1.51 -0.37 -0.98 117.35 119.94 1jx1 s TYR 28 Ca 0.12 -0.80 0.11 0.00 -1.01 0.00 0.00 57.07 55.49 1jx1 s TYR 28 Cb -0.10 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 1jx1 s TYR 28 CO 0.02 -0.19 -0.25 -0.59 -1.11 0.00 0.00 175.55 173.43 1jx1 s PHE 29 N -2.85 2.30 -0.15 2.71 -0.12 -0.46 -1.82 117.98 117.60 1jx1 s PHE 29 Ca 0.01 -0.37 -0.29 0.00 -0.05 0.00 0.00 56.93 56.23 1jx1 s PHE 29 Cb 0.00 -1.19 -0.03 0.00 -0.63 0.00 0.00 43.02 41.17 1jx1 s PHE 29 CO -0.04 0.42 1.42 -1.17 -0.05 0.00 0.00 175.22 175.80 1jx1 s LEU 30 N -2.37 4.17 -0.05 -1.99 2.96 0.17 -1.63 118.68 119.94 1jx1 s LEU 30 Ca 0.17 1.81 -0.07 0.00 -0.22 0.00 0.00 54.13 55.82 1jx1 s LEU 30 Cb -0.09 -3.54 -0.29 0.00 0.50 0.00 0.00 46.19 42.78 1jx1 s LEU 30 CO 0.08 -0.89 0.65 1.23 -1.32 0.00 0.00 176.35 176.10 1jx1 h GLY 31 N 10.19 0.36 -4.43 7.98 0.00 -0.64 -3.48 103.07 113.04 1jx1 h GLY 31 Ca -0.31 -0.92 0.26 0.00 0.00 0.00 0.00 47.33 46.36 1jx1 h GLY 31 CO 0.97 0.81 0.92 -0.32 0.00 0.00 0.00 176.54 178.92 1jx1 s GLY 32 N -5.17 -0.08 -0.07 4.60 0.00 -1.14 -2.57 107.32 102.89 1jx1 s GLY 32 Ca -0.15 2.32 -0.10 0.00 0.00 0.00 0.00 44.72 46.79 1jx1 s GLY 32 CO 0.84 0.87 0.25 0.00 0.00 0.00 0.00 173.10 175.05 1jx1 s ALA 33 N -1.56 -0.61 0.01 3.20 0.00 -1.26 -1.03 121.76 120.51 1jx1 s ALA 33 Ca 0.09 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.37 1jx1 s ALA 33 Cb -0.01 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.88 1jx1 s ALA 33 CO -0.05 -0.15 0.52 0.20 0.00 0.00 0.00 175.76 176.27 1jx1 s GLY 34 N -0.27 -0.41 1.02 0.00 0.00 -0.33 -4.86 107.32 102.46 1jx1 s GLY 34 Ca -0.04 0.72 -0.12 0.00 0.00 0.00 0.00 44.72 45.28 1jx1 s GLY 34 CO 0.01 0.42 1.08 -1.83 0.00 0.00 0.00 173.10 172.78 1jx1 s GLU 35 N -1.92 0.28 0.15 2.90 -1.05 -1.26 -1.91 118.70 115.88 1jx1 s GLU 35 Ca -0.08 0.75 -0.25 0.00 -0.15 0.00 0.00 54.97 55.24 1jx1 s GLU 35 Cb -0.01 -1.70 0.06 0.00 -0.44 0.00 0.00 34.13 32.04 1jx1 s GLU 35 CO 0.02 -2.89 0.94 0.50 0.95 0.00 0.00 175.26 174.78 1jx1 s ARG 36 N -4.80 1.19 0.00 -4.83 6.06 -0.55 -4.78 118.95 111.24 1jx1 s ARG 36 Ca 0.66 -0.64 0.00 0.00 -2.50 0.00 0.00 55.73 53.25 1jx1 s ARG 36 Cb -0.20 0.42 0.00 0.00 0.06 0.00 0.00 34.95 35.22 1jx1 s ARG 36 CO 0.59 -0.54 0.00 0.41 -2.50 0.00 0.00 175.30 173.26 1jx1 n GLY 37 N -0.45 -0.33 0.00 8.12 0.00 -1.26 -1.77 105.19 109.50 1jx1 n GLY 37 Ca -0.06 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1jx1 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jx1 n LEU 38 N 0.00 0.00 -2.70 0.99 4.32 -1.26 -4.98 117.00 113.37 1jx1 n LEU 38 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.93 1jx1 n LEU 38 Cb 0.00 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 41.85 1jx1 n LEU 38 CO 0.00 0.00 0.40 0.41 -1.22 0.00 0.00 177.39 176.98 1jx1 n THR 39 N 0.00 0.00 -3.44 -5.08 -1.04 -1.26 -5.13 114.28 98.34 1jx1 n THR 39 Ca 0.00 -0.91 -0.44 0.00 -2.04 0.00 0.00 64.05 60.66 1jx1 n THR 39 Cb 0.00 1.15 -0.04 0.00 -1.82 0.00 0.00 70.33 69.62 1jx1 n THR 39 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1jx1 s LYS 46 N 0.50 3.45 -0.21 -2.82 2.20 -1.26 -5.38 119.74 116.23 1jx1 s LYS 46 Ca 0.28 -2.65 -0.18 0.00 -0.36 0.00 0.00 55.97 53.06 1jx1 s LYS 46 Cb 0.18 -4.27 -0.19 0.00 -1.51 0.00 0.00 37.83 32.05 1jx1 s LYS 46 CO -0.14 -1.26 0.12 1.19 -0.36 0.00 0.00 175.35 174.90 1jx1 n PHE 47 N 3.56 0.84 -4.01 4.03 0.99 -0.73 -4.57 117.46 117.57 1jx1 n PHE 47 Ca 0.15 0.33 -0.01 0.00 -0.00 0.00 0.00 57.45 57.92 1jx1 n PHE 47 Cb 0.43 -1.09 -0.00 0.00 -1.00 0.00 0.00 39.48 37.82 1jx1 n PHE 47 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jx1 n ALA 48 N -3.51 0.02 -3.06 4.37 0.00 -0.91 0.30 120.51 117.73 1jx1 n ALA 48 Ca -0.37 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 52.84 1jx1 n ALA 48 Cb 0.78 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 20.11 1jx1 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jx1 s ALA 49 N -2.03 0.61 0.13 0.00 0.00 0.14 -1.48 121.76 119.13 1jx1 s ALA 49 Ca 0.01 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.84 1jx1 s ALA 49 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1jx1 s ALA 49 CO 0.01 0.09 -0.19 0.42 0.00 0.00 0.00 175.76 176.09 1jx1 s ILE 50 N 0.23 1.72 -0.10 0.00 1.01 -0.80 -0.09 121.20 123.17 1jx1 s ILE 50 Ca -0.03 -1.72 -0.30 0.00 0.00 0.00 0.00 60.65 58.60 1jx1 s ILE 50 Cb -0.07 -1.68 0.07 0.00 0.01 0.00 0.00 42.46 40.80 1jx1 s ILE 50 CO -0.00 -0.20 0.72 -0.83 0.00 0.00 0.00 174.94 174.62 1jx1 s GLY 51 N -2.29 -0.54 -0.08 6.18 0.00 -0.27 -1.18 107.32 109.13 1jx1 s GLY 51 Ca 0.11 1.52 0.04 0.00 0.00 0.00 0.00 44.72 46.39 1jx1 s GLY 51 CO 0.05 1.12 -0.21 0.14 0.00 0.00 0.00 173.10 174.21 1jx1 s VAL 52 N -0.87 1.80 -0.05 1.40 1.01 -0.20 -0.63 120.40 122.86 1jx1 s VAL 52 Ca -0.08 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1jx1 s VAL 52 Cb -0.01 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1jx1 s VAL 52 CO 0.07 0.50 -0.10 -0.31 0.00 0.00 0.00 175.10 175.27 1jx1 s TYR 53 N 0.34 2.83 -0.01 5.22 1.51 0.09 0.15 117.35 127.49 1jx1 s TYR 53 Ca -0.15 -0.06 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 1jx1 s TYR 53 Cb -0.17 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1jx1 s TYR 53 CO 0.07 0.28 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.14 1jx1 s LEU 54 N -0.88 2.76 0.61 -1.29 1.43 -0.65 0.48 118.68 121.14 1jx1 s LEU 54 Ca 0.13 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 1jx1 s LEU 54 Cb -0.11 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1jx1 s LEU 54 CO 0.02 0.31 1.06 1.21 0.23 0.00 0.00 176.35 179.17 1jx1 n GLU 55 N 1.94 0.99 0.11 1.70 2.13 0.11 -1.35 120.64 126.28 1jx1 n GLU 55 Ca -0.16 0.38 0.04 0.00 0.66 0.00 0.00 57.16 58.08 1jx1 n GLU 55 Cb 0.52 -2.27 0.46 0.00 0.27 0.00 0.00 31.44 30.42 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 0.56 0.26 0.24 4.31 -0.00 -1.40 -2.51 116.42 117.88 1jx1 h ASP 56 Ca -0.49 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.51 1jx1 h ASP 56 Cb 1.36 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 40.62 1jx1 h ASP 56 CO 0.52 0.29 0.00 2.30 -0.00 0.00 0.00 179.24 182.34 1jx1 n ILE 57 N -4.40 0.75 -0.11 4.15 -5.35 -1.26 -3.26 119.36 109.88 1jx1 n ILE 57 Ca 0.00 0.19 -0.09 0.00 -0.27 0.00 0.00 62.75 62.58 1jx1 n ILE 57 Cb 0.16 -0.99 -0.01 0.00 -1.74 0.00 0.00 39.64 37.05 1jx1 n ILE 57 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jx1 h ALA 58 N 2.54 0.45 -0.45 -1.28 0.00 -1.80 -2.54 119.26 116.17 1jx1 h ALA 58 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1jx1 h ALA 58 Cb 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1jx1 h ALA 58 CO 0.00 -0.04 -0.10 0.28 0.00 0.00 0.00 179.25 179.38 1jx1 h VAL 59 N 0.45 0.56 0.00 0.00 2.07 -1.79 0.60 116.25 118.14 1jx1 h VAL 59 Ca 0.12 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 1jx1 h VAL 59 Cb 0.03 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1jx1 h VAL 59 CO -0.02 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.34 1jx1 h ALA 60 N 1.45 1.50 0.03 1.67 0.00 -1.59 0.16 119.26 122.47 1jx1 h ALA 60 Ca 0.22 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1jx1 h ALA 60 Cb 0.33 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jx1 h ALA 60 CO -0.46 0.28 -1.09 1.03 0.00 0.00 0.00 179.25 179.01 1jx1 h SER 61 N 0.00 0.89 1.40 0.00 0.87 -0.24 -3.33 113.55 113.14 1jx1 h SER 61 Ca -0.00 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.82 1jx1 h SER 61 Cb 0.43 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1jx1 h SER 61 CO 0.03 1.54 -0.40 -0.07 -0.53 0.00 0.00 176.83 177.40 1jx1 h LEU 62 N 0.36 0.00 -0.30 2.23 3.38 0.39 -3.39 115.31 117.97 1jx1 h LEU 62 Ca -0.14 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1jx1 h LEU 62 Cb 1.75 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.44 1jx1 h LEU 62 CO 0.21 0.02 -0.09 0.00 0.09 0.00 0.00 178.44 178.68 1jx1 h ALA 63 N 2.20 0.19 -0.39 1.53 0.00 -0.80 -1.44 119.26 120.55 1jx1 h ALA 63 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1jx1 h ALA 63 Cb 0.90 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1jx1 h ALA 63 CO 0.00 -0.47 -0.55 0.00 0.00 0.00 0.00 179.25 178.23 1jx1 h ALA 64 N 1.28 -0.79 0.00 0.00 0.00 -1.80 0.76 119.26 118.72 1jx1 h ALA 64 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1jx1 h ALA 64 Cb 0.24 1.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1jx1 h ALA 64 CO -0.32 -1.05 -0.43 0.87 0.00 0.00 0.00 179.25 178.33 1jx1 h LYS 65 N -0.40 0.00 -0.00 0.00 1.57 -1.84 -3.38 116.57 112.52 1jx1 h LYS 65 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jx1 h LYS 65 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1jx1 h LYS 65 CO -0.58 0.43 -0.06 0.91 -0.57 0.00 0.00 179.45 179.58 1jx1 n TRP 66 N -3.39 0.00 -1.70 -1.35 7.02 -0.55 -5.01 117.44 112.47 1jx1 n TRP 66 Ca 0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.09 1jx1 n TRP 66 Cb 0.60 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.52 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 -0.45 1.73 -1.11 -0.99 4.81 0.26 -2.76 118.16 119.65 1jx1 n LYS 67 Ca 0.01 0.63 -0.04 0.00 -0.87 0.00 0.00 58.31 58.04 1jx1 n LYS 67 Cb 0.06 -2.41 -0.02 0.00 0.02 0.00 0.00 35.03 32.68 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 0.86 0.62 3.31 3.14 0.00 -1.26 -5.01 105.19 106.85 1jx1 n GLY 68 Ca 0.09 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.64 2.96 0.86 1.61 1.02 -1.11 -5.09 119.74 118.34 1jx1 s LYS 69 Ca 0.00 -0.94 -0.17 0.00 0.02 0.00 0.00 55.97 54.88 1jx1 s LYS 69 Cb 0.00 -3.34 -0.11 0.00 -0.52 0.00 0.00 37.83 33.86 1jx1 s LYS 69 CO 0.00 -0.48 -0.35 -1.13 -0.92 0.00 0.00 175.35 172.47 1jx1 n SER 70 N 4.83 -4.45 -0.18 2.83 3.41 -1.26 -4.61 113.62 114.18 1jx1 n SER 70 Ca -0.14 0.35 -0.06 0.00 -0.26 0.00 0.00 58.87 58.75 1jx1 n SER 70 Cb 0.47 -0.89 0.10 0.00 -0.26 0.00 0.00 64.21 63.63 1jx1 n SER 70 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1jx1 h SER 71 N -0.80 0.93 -0.19 4.04 0.02 -1.94 -1.95 113.55 113.66 1jx1 h SER 71 Ca -0.43 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.29 1jx1 h SER 71 Cb 1.33 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1jx1 h SER 71 CO 0.31 0.94 0.10 -0.33 -1.14 0.00 0.00 176.83 176.71 1jx1 h GLU 72 N 0.91 0.30 0.09 3.45 3.07 -1.89 -2.50 114.58 118.01 1jx1 h GLU 72 Ca 0.18 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1jx1 h GLU 72 Cb 0.43 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1jx1 h GLU 72 CO 0.01 0.25 -0.04 1.49 -1.40 0.00 0.00 179.01 179.32 1jx1 h GLU 73 N 0.31 -0.12 -0.61 2.33 4.81 -1.71 -3.33 114.58 116.26 1jx1 h GLU 73 Ca 0.08 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.44 1jx1 h GLU 73 Cb 0.05 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.35 1jx1 h GLU 73 CO -0.01 0.30 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.45 1jx1 h LEU 74 N -0.96 -0.35 -1.91 1.64 3.38 -1.34 0.53 115.31 116.29 1jx1 h LEU 74 Ca -0.01 0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1jx1 h LEU 74 Cb 0.47 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1jx1 h LEU 74 CO 0.02 -0.14 0.48 0.25 0.09 0.00 0.00 178.44 179.14 1jx1 h LEU 75 N 0.08 0.00 -3.29 1.67 5.85 -1.57 0.24 115.31 118.29 1jx1 h LEU 75 Ca 0.31 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 1jx1 h LEU 75 Cb 0.50 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1jx1 h LEU 75 CO -0.55 0.00 -0.01 -1.84 -0.34 0.00 0.00 178.44 175.70 1jx1 n GLU 76 N -3.57 2.51 -3.93 1.25 0.28 0.16 -4.87 120.64 112.47 1jx1 n GLU 76 Ca 0.07 -2.93 -0.31 0.00 -0.16 0.00 0.00 57.16 53.83 1jx1 n GLU 76 Cb 0.64 -1.83 -0.14 0.00 1.43 0.00 0.00 31.44 31.55 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 -2.96 2.69 0.40 3.84 2.01 0.83 -4.98 115.64 117.47 1jx1 s THR 77 Ca 0.43 -3.23 0.21 0.00 0.31 0.00 0.00 61.69 59.40 1jx1 s THR 77 Cb 0.36 -2.86 0.41 0.00 0.01 0.00 0.00 72.50 70.42 1jx1 s THR 77 CO 0.06 -0.80 1.71 -0.07 -0.69 0.00 0.00 174.62 174.83 1jx1 h LEU 78 N 6.61 0.41 -0.73 4.42 3.38 -1.89 0.96 115.31 128.46 1jx1 h LEU 78 Ca -0.07 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1jx1 h LEU 78 Cb 0.90 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1jx1 h LEU 78 CO 0.68 -0.03 0.42 -0.78 0.09 0.00 0.00 178.44 178.83 1jx1 h ASP 79 N 0.30 0.63 -0.09 -0.43 -0.00 -1.94 -1.85 116.42 113.04 1jx1 h ASP 79 Ca 0.69 0.03 0.03 0.00 -0.00 0.00 0.00 57.03 57.77 1jx1 h ASP 79 Cb 1.84 -0.10 -0.06 0.00 -0.00 0.00 0.00 39.33 41.01 1jx1 h ASP 79 CO -0.39 0.40 -0.53 0.15 -0.00 0.00 0.00 179.24 178.87 1jx1 h PHE 80 N 0.76 -1.56 0.00 0.28 -0.00 -1.13 -0.34 116.94 114.95 1jx1 h PHE 80 Ca 0.33 0.06 -0.02 0.00 -0.00 0.00 0.00 57.97 58.34 1jx1 h PHE 80 Cb 0.21 0.69 -0.00 0.00 -0.00 0.00 0.00 35.95 36.85 1jx1 h PHE 80 CO -0.07 -0.54 -0.07 1.88 -0.00 0.00 0.00 178.31 179.51 1jx1 h TYR 81 N -0.59 0.00 -0.33 0.41 -1.99 -1.56 -1.92 116.97 110.98 1jx1 h TYR 81 Ca 0.02 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.58 1jx1 h TYR 81 Cb 0.67 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.40 1jx1 h TYR 81 CO -0.56 0.07 -0.48 0.00 -0.00 0.00 0.00 178.16 177.20 1jx1 h ARG 82 N 0.00 0.90 0.00 4.88 3.08 -0.27 0.14 114.38 123.11 1jx1 h ARG 82 Ca -0.00 -0.53 -0.05 0.00 0.07 0.00 0.00 59.98 59.46 1jx1 h ARG 82 Cb 0.26 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1jx1 h ARG 82 CO 0.01 1.18 -0.26 -0.44 -1.07 0.00 0.00 179.97 179.39 1jx1 h ASP 83 N 0.71 0.00 0.16 7.04 3.32 -0.42 -0.08 116.42 127.14 1jx1 h ASP 83 Ca 0.03 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.78 1jx1 h ASP 83 Cb 1.08 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.66 1jx1 h ASP 83 CO 0.11 0.26 -1.30 0.40 -1.72 0.00 0.00 179.24 176.99 1jx1 h ILE 84 N 0.00 1.29 -0.20 0.35 2.04 -0.98 0.42 117.51 120.43 1jx1 h ILE 84 Ca -0.00 -2.52 -0.18 0.00 1.00 0.00 0.00 64.86 63.16 1jx1 h ILE 84 Cb 0.54 2.81 -0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1jx1 h ILE 84 CO 0.03 0.76 -0.59 0.40 0.00 0.00 0.00 178.15 178.76 1jx1 h ILE 85 N 0.22 1.31 -0.19 -0.67 2.04 -0.42 -3.31 117.51 116.49 1jx1 h ILE 85 Ca -0.21 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 63.82 1jx1 h ILE 85 Cb 1.98 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1jx1 h ILE 85 CO 0.25 0.58 0.00 -1.20 0.00 0.00 0.00 178.15 177.77 1jx1 n SER 86 N -3.96 3.04 -4.73 1.72 7.64 -0.07 -4.95 113.62 112.31 1jx1 n SER 86 Ca -0.04 -2.64 -0.33 0.00 1.01 0.00 0.00 58.87 56.87 1jx1 n SER 86 Cb 0.63 -0.36 0.09 0.00 -1.01 0.00 0.00 64.21 63.57 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 -1.78 2.03 -0.14 0.23 0.00 0.14 -4.88 107.32 102.92 1jx1 s GLY 87 Ca 0.29 0.62 -0.03 0.00 0.00 0.00 0.00 44.72 45.60 1jx1 s GLY 87 CO 0.08 1.00 1.82 -1.55 0.00 0.00 0.00 173.10 174.45 1jx1 n PRO 88 N -3.09 0.99 -3.75 2.90 -0.04 -1.26 -4.76 135.00 125.98 1jx1 n PRO 88 Ca 0.11 -0.58 -0.05 0.00 -0.04 0.00 0.00 63.50 62.94 1jx1 n PRO 88 Cb 0.52 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.48 -0.18 0.40 0.54 -0.12 -1.26 -4.97 117.98 114.88 1jx1 s PHE 89 Ca 0.29 -0.15 -0.15 0.00 -0.05 0.00 0.00 56.93 56.86 1jx1 s PHE 89 Cb 0.12 0.65 -0.08 0.00 -0.63 0.00 0.00 43.02 43.08 1jx1 s PHE 89 CO -0.01 -0.92 0.83 -1.21 -0.05 0.00 0.00 175.22 173.86 1jx1 s GLU 90 N -3.46 3.97 -0.02 1.99 2.02 -1.26 -4.44 118.70 117.49 1jx1 s GLU 90 Ca 0.11 0.74 0.03 0.00 0.02 0.00 0.00 54.97 55.87 1jx1 s GLU 90 Cb -0.03 -2.32 -0.00 0.00 0.10 0.00 0.00 34.13 31.88 1jx1 s GLU 90 CO 0.02 -0.01 -0.12 0.15 0.02 0.00 0.00 175.26 175.32 1jx1 s LYS 91 N -3.46 1.14 -0.25 1.61 3.01 -1.18 0.07 119.74 120.69 1jx1 s LYS 91 Ca 0.55 -0.43 0.02 0.00 -1.01 0.00 0.00 55.97 55.10 1jx1 s LYS 91 Cb -0.10 -1.06 0.06 0.00 -1.01 0.00 0.00 37.83 35.72 1jx1 s LYS 91 CO 0.23 0.21 -0.08 -1.17 0.51 0.00 0.00 175.35 175.05 1jx1 s LEU 92 N -0.07 2.96 -0.21 3.17 2.96 0.18 -1.44 118.68 126.23 1jx1 s LEU 92 Ca 0.01 -1.27 -0.17 0.00 -0.22 0.00 0.00 54.13 52.48 1jx1 s LEU 92 Cb -0.07 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1jx1 s LEU 92 CO 0.00 -0.21 0.44 -0.63 -1.32 0.00 0.00 176.35 174.63 1jx1 s ILE 93 N 1.26 5.16 -0.15 6.68 1.01 -0.14 -0.73 121.20 134.28 1jx1 s ILE 93 Ca -0.07 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1jx1 s ILE 93 Cb -0.19 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 1jx1 s ILE 93 CO -0.06 0.21 -0.15 -0.60 0.00 0.00 0.00 174.94 174.34 1jx1 s ARG 94 N 1.56 3.23 -0.16 2.79 3.00 0.20 -0.90 118.95 128.67 1jx1 s ARG 94 Ca 0.20 -0.75 0.02 0.00 -1.00 0.00 0.00 55.73 54.20 1jx1 s ARG 94 Cb -0.15 -2.62 0.02 0.00 0.00 0.00 0.00 34.95 32.20 1jx1 s ARG 94 CO 0.09 0.04 -0.20 0.20 0.00 0.00 0.00 175.30 175.43 1jx1 s GLY 95 N 0.76 1.34 0.09 8.12 0.00 -0.52 -1.12 107.32 115.99 1jx1 s GLY 95 Ca -0.06 -1.12 0.08 0.00 0.00 0.00 0.00 44.72 43.62 1jx1 s GLY 95 CO 0.01 0.18 -0.17 -0.56 0.00 0.00 0.00 173.10 172.55 1jx1 s SER 96 N 1.10 3.92 0.06 1.64 0.01 0.88 -0.69 113.70 120.62 1jx1 s SER 96 Ca -0.00 -0.49 -0.19 0.00 1.31 0.00 0.00 55.95 56.58 1jx1 s SER 96 Cb -0.14 -0.61 -0.06 0.00 0.21 0.00 0.00 66.02 65.42 1jx1 s SER 96 CO -0.08 0.21 0.56 -0.54 0.41 0.00 0.00 173.24 173.80 1jx1 s LYS 97 N -1.88 4.19 -0.26 12.44 3.01 -0.47 0.26 119.74 137.04 1jx1 s LYS 97 Ca 0.17 0.71 -0.14 0.00 -1.01 0.00 0.00 55.97 55.71 1jx1 s LYS 97 Cb -0.11 -3.25 -0.14 0.00 -1.01 0.00 0.00 37.83 33.32 1jx1 s LYS 97 CO 0.09 0.62 -0.22 -0.89 0.51 0.00 0.00 175.35 175.45 1jx1 n ILE 98 N 1.83 1.53 -4.46 2.17 5.41 0.15 -1.00 119.36 125.00 1jx1 n ILE 98 Ca -0.10 -0.35 -0.34 0.00 1.00 0.00 0.00 62.75 62.96 1jx1 n ILE 98 Cb 0.51 -1.86 -0.10 0.00 -0.71 0.00 0.00 39.64 37.48 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 -2.49 2.79 0.05 0.38 0.52 -0.72 -4.60 118.95 114.89 1jx1 s ARG 99 Ca -0.36 -0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 53.99 1jx1 s ARG 99 Cb 0.12 -2.65 -0.06 0.00 0.52 0.00 0.00 34.95 32.89 1jx1 s ARG 99 CO 0.53 0.66 1.28 -1.83 0.02 0.00 0.00 175.30 175.96 1jx1 s GLU 100 N -1.09 4.37 0.03 3.54 -1.05 -1.26 -4.70 118.70 118.55 1jx1 s GLU 100 Ca 0.15 1.87 0.08 0.00 -0.15 0.00 0.00 54.97 56.92 1jx1 s GLU 100 Cb -0.11 -3.38 -0.03 0.00 -0.44 0.00 0.00 34.13 30.17 1jx1 s GLU 100 CO 0.05 -0.37 -0.21 -0.51 0.95 0.00 0.00 175.26 175.17 1jx1 s LEU 101 N 1.39 2.47 0.97 1.83 1.43 -0.73 -4.96 118.68 121.08 1jx1 s LEU 101 Ca 0.61 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 1jx1 s LEU 101 Cb -0.31 -1.45 0.17 0.00 0.03 0.00 0.00 46.19 44.64 1jx1 s LEU 101 CO 0.28 0.26 1.14 -0.94 0.23 0.00 0.00 176.35 177.33 1jx1 s SER 102 N -1.31 2.93 0.03 2.29 1.04 -1.26 -0.09 113.70 117.33 1jx1 s SER 102 Ca 0.13 0.89 -0.25 0.00 0.48 0.00 0.00 55.95 57.20 1jx1 s SER 102 Cb -0.10 -1.38 -0.18 0.00 0.10 0.00 0.00 66.02 64.46 1jx1 s SER 102 CO 0.04 -2.90 1.44 1.23 0.98 0.00 0.00 173.24 174.03 1jx1 h GLY 103 N -1.74 -0.15 2.00 7.32 0.00 -0.87 -3.01 103.07 106.62 1jx1 h GLY 103 Ca -0.50 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1jx1 h GLY 103 CO 0.55 -0.06 -0.22 -2.55 0.00 0.00 0.00 176.54 174.27 1jx1 h PRO 104 N -0.41 0.00 -0.35 4.80 0.11 -1.78 -2.50 132.00 131.88 1jx1 h PRO 104 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1jx1 h PRO 104 Cb 0.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1jx1 h PRO 104 CO 0.02 0.22 0.18 0.93 -0.21 0.00 0.00 178.00 179.14 1jx1 h GLU 105 N 0.00 0.49 0.00 1.05 5.08 -1.92 -2.34 114.58 116.94 1jx1 h GLU 105 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1jx1 h GLU 105 Cb 0.41 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1jx1 h GLU 105 CO 0.03 0.43 0.00 0.98 -1.00 0.00 0.00 179.01 179.44 1jx1 n TYR 106 N -4.76 0.00 -0.30 4.33 9.36 -1.09 -3.35 117.16 121.35 1jx1 n TYR 106 Ca -0.01 0.00 0.27 0.00 3.32 0.00 0.00 57.90 61.48 1jx1 n TYR 106 Cb 0.09 -0.42 0.46 0.00 -0.63 0.00 0.00 39.34 38.85 1jx1 n TYR 106 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1jx1 n SER 107 N -1.76 0.19 0.00 2.98 3.41 -0.96 -2.75 113.62 114.73 1jx1 n SER 107 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 1jx1 n SER 107 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1jx1 n SER 107 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jx1 n ARG 108 N -4.31 0.00 0.05 4.33 0.63 -0.88 -0.49 116.66 115.99 1jx1 n ARG 108 Ca 0.28 0.39 -0.13 0.00 -0.92 0.00 0.00 57.85 57.47 1jx1 n ARG 108 Cb 1.05 -0.80 -0.07 0.00 0.45 0.00 0.00 32.46 33.10 1jx1 n ARG 108 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1jx1 h LYS 109 N 0.00 -0.55 -0.95 -0.14 3.64 -1.71 -2.33 116.57 114.53 1jx1 h LYS 109 Ca 0.00 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1jx1 h LYS 109 Cb 0.00 0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 31.80 1jx1 h LYS 109 CO 0.00 -0.36 -0.40 0.28 -2.27 0.00 0.00 179.45 176.70 1jx1 n VAL 110 N -5.45 -0.52 -0.34 2.00 0.31 -0.99 0.24 118.33 113.57 1jx1 n VAL 110 Ca -0.06 2.23 -0.00 0.00 -0.01 0.00 0.00 64.34 66.50 1jx1 n VAL 110 Cb 0.37 -2.92 0.16 0.00 -0.91 0.00 0.00 33.84 30.54 1jx1 n VAL 110 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1jx1 h MET 111 N 0.00 1.21 0.60 5.55 2.86 -0.39 -1.11 114.93 123.65 1jx1 h MET 111 Ca 0.30 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1jx1 h MET 111 Cb 0.54 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1jx1 h MET 111 CO -0.93 0.80 -0.40 0.93 1.06 0.00 0.00 176.91 178.37 1jx1 h GLU 112 N 1.24 -0.91 -0.71 1.72 5.08 0.32 0.95 114.58 122.28 1jx1 h GLU 112 Ca 0.37 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.99 1jx1 h GLU 112 Cb -0.06 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1jx1 h GLU 112 CO -0.10 -0.61 0.51 -0.91 -1.00 0.00 0.00 179.01 176.90 1jx1 h ASN 113 N -0.94 0.02 0.01 1.42 2.35 -1.07 0.52 115.58 117.88 1jx1 h ASN 113 Ca -0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1jx1 h ASN 113 Cb 0.77 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1jx1 h ASN 113 CO 0.06 0.01 -0.00 0.00 -1.65 0.00 0.00 177.43 175.84 1jx1 h VAL 115 N -0.49 1.19 -0.51 0.00 2.07 0.12 0.22 116.25 118.85 1jx1 h VAL 115 Ca -0.00 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1jx1 h VAL 115 Cb 0.48 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1jx1 h VAL 115 CO 0.00 0.20 0.26 0.00 0.02 0.00 0.00 177.57 178.05 1jx1 h ALA 116 N 1.17 0.65 -0.11 1.67 0.00 -0.01 0.22 119.26 122.84 1jx1 h ALA 116 Ca 0.22 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1jx1 h ALA 116 Cb 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jx1 h ALA 116 CO -0.04 -0.09 -0.06 1.25 0.00 0.00 0.00 179.25 180.31 1jx1 h HIS 117 N 0.50 0.28 -0.84 0.00 6.17 -0.78 -1.27 115.15 119.21 1jx1 h HIS 117 Ca 0.22 -0.07 0.09 0.00 0.71 0.00 0.00 60.37 61.32 1jx1 h HIS 117 Cb 0.13 -0.06 -0.07 0.00 2.52 0.00 0.00 27.41 29.92 1jx1 h HIS 117 CO -0.10 0.60 0.48 -0.07 0.71 0.00 0.00 177.93 179.55 1jx1 h LEU 118 N -0.12 0.70 0.02 0.26 3.38 -0.18 -2.61 115.31 116.76 1jx1 h LEU 118 Ca 0.02 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jx1 h LEU 118 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1jx1 h LEU 118 CO 0.02 0.40 -0.01 0.11 0.09 0.00 0.00 178.44 179.05 1jx1 h LYS 119 N 0.82 -0.02 0.00 1.13 1.57 -0.55 -0.14 116.57 119.38 1jx1 h LYS 119 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1jx1 h LYS 119 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1jx1 h LYS 119 CO -0.24 0.55 0.19 0.66 -0.57 0.00 0.00 179.45 180.03 1jx1 h SER 120 N -0.60 0.00 -0.19 0.86 4.64 -1.02 0.62 113.55 117.85 1jx1 h SER 120 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jx1 h SER 120 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1jx1 h SER 120 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1jx1 n VAL 121 N -2.68 0.46 -3.14 0.95 0.24 -1.00 -5.00 118.33 108.16 1jx1 n VAL 121 Ca -0.02 -0.73 -0.15 0.00 -2.04 0.00 0.00 64.34 61.40 1jx1 n VAL 121 Cb 0.23 0.91 0.05 0.00 -1.47 0.00 0.00 33.84 33.56 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 0.69 0.02 2.46 7.63 0.00 0.21 -4.97 105.19 111.24 1jx1 n GLY 122 Ca 0.10 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.05 0.87 -2.49 2.61 -2.24 -0.08 -4.90 114.28 104.00 1jx1 n THR 123 Ca -0.00 -4.33 -0.14 0.00 -2.27 0.00 0.00 64.05 57.30 1jx1 n THR 123 Cb 0.54 -0.26 0.03 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.04 2.10 -0.00 4.78 9.36 -1.24 -4.72 117.16 127.48 1jx1 n TYR 124 Ca 0.23 -2.48 0.00 0.00 3.32 0.00 0.00 57.90 58.96 1jx1 n TYR 124 Cb 0.67 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 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 -0.50 -3.39 0.12 2.98 0.00 -1.26 -4.64 105.19 98.50 1jx1 n GLY 125 Ca 0.25 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.10 0.31 -0.70 1.61 3.32 -2.00 -3.02 116.42 115.84 1jx1 h ASP 126 Ca 0.00 -0.39 0.15 0.00 0.02 0.00 0.00 57.03 56.82 1jx1 h ASP 126 Cb 0.00 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 39.35 1jx1 h ASP 126 CO 0.00 0.62 0.03 0.00 -1.72 0.00 0.00 179.24 178.18 1jx1 h ALA 127 N 0.69 0.74 -0.43 3.45 0.00 -2.00 0.07 119.26 121.79 1jx1 h ALA 127 Ca 0.04 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1jx1 h ALA 127 Cb 0.50 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1jx1 h ALA 127 CO 0.02 -0.40 0.02 0.93 0.00 0.00 0.00 179.25 179.82 1jx1 h GLU 128 N 0.14 0.68 -0.35 0.00 3.07 -1.87 -0.39 114.58 115.86 1jx1 h GLU 128 Ca 0.38 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 59.01 1jx1 h GLU 128 Cb 0.64 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 1jx1 h GLU 128 CO -0.58 0.68 -0.06 0.00 -1.40 0.00 0.00 179.01 177.65 1jx1 h ALA 129 N 1.38 1.25 -0.00 3.43 0.00 -0.89 0.94 119.26 125.36 1jx1 h ALA 129 Ca 0.13 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 1jx1 h ALA 129 Cb 0.37 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jx1 h ALA 129 CO 0.01 0.49 -0.95 0.93 0.00 0.00 0.00 179.25 179.73 1jx1 h GLU 130 N 0.53 0.47 -0.74 0.00 5.08 -0.79 -2.63 114.58 116.50 1jx1 h GLU 130 Ca 0.11 -0.50 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1jx1 h GLU 130 Cb 0.43 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1jx1 h GLU 130 CO 0.02 1.15 0.27 0.00 -1.00 0.00 0.00 179.01 179.45 1jx1 h ALA 131 N 0.68 0.97 0.00 3.43 0.00 -0.50 -0.66 119.26 123.18 1jx1 h ALA 131 Ca -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1jx1 h ALA 131 Cb 1.59 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1jx1 h ALA 131 CO 0.17 0.62 -0.21 0.52 0.00 0.00 0.00 179.25 180.35 1jx1 h MET 132 N 1.08 0.00 -0.30 0.00 2.86 -0.79 0.22 114.93 118.00 1jx1 h MET 132 Ca 0.24 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.71 1jx1 h MET 132 Cb 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1jx1 h MET 132 CO -0.02 0.21 -0.50 0.37 1.06 0.00 0.00 176.91 178.03 1jx1 h GLN 133 N 0.00 0.87 -0.21 1.72 5.75 -0.93 -0.22 115.11 122.09 1jx1 h GLN 133 Ca -0.00 -0.54 -0.04 0.00 -0.15 0.00 0.00 58.65 57.92 1jx1 h GLN 133 Cb 0.81 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.41 1jx1 h GLN 133 CO 0.03 1.17 -0.02 -0.22 -2.65 0.00 0.00 178.83 177.14 1jx1 h LYS 134 N 0.65 0.38 -0.98 1.69 3.64 -0.81 0.15 116.57 121.29 1jx1 h LYS 134 Ca 0.02 -0.13 0.21 0.00 -1.27 0.00 0.00 60.65 59.48 1jx1 h LYS 134 Cb 1.11 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.81 1jx1 h LYS 134 CO 0.11 0.60 0.62 0.35 -2.27 0.00 0.00 179.45 178.86 1jx1 h PHE 135 N 0.13 0.82 -0.06 1.91 -0.00 -0.82 -0.35 116.94 118.58 1jx1 h PHE 135 Ca 0.06 0.03 -0.15 0.00 -0.00 0.00 0.00 57.97 57.91 1jx1 h PHE 135 Cb 0.43 -0.25 0.01 0.00 -0.00 0.00 0.00 35.95 36.15 1jx1 h PHE 135 CO 0.04 0.18 -0.54 0.00 -0.00 0.00 0.00 178.31 177.99 1jx1 h ALA 136 N 1.63 0.15 -0.63 2.41 0.00 -0.33 -3.28 119.26 119.21 1jx1 h ALA 136 Ca 0.54 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jx1 h ALA 136 Cb 1.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1jx1 h ALA 136 CO -0.29 0.36 0.42 1.49 0.00 0.00 0.00 179.25 181.23 1jx1 h GLU 137 N 0.02 0.78 -0.26 0.00 4.57 0.89 -2.45 114.58 118.13 1jx1 h GLU 137 Ca -0.05 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 1jx1 h GLU 137 Cb 1.21 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1jx1 h GLU 137 CO 0.11 0.51 -0.13 0.00 -1.18 0.00 0.00 179.01 178.32 1jx1 h ALA 138 N 1.62 1.29 0.00 2.92 0.00 -1.30 -3.03 119.26 120.77 1jx1 h ALA 138 Ca 0.24 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1jx1 h ALA 138 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jx1 h ALA 138 CO -0.06 0.47 -0.90 0.74 0.00 0.00 0.00 179.25 179.50 1jx1 h PHE 139 N 0.41 0.00 -0.61 0.00 -1.00 -1.54 -3.39 116.94 110.81 1jx1 h PHE 139 Ca 0.08 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.98 1jx1 h PHE 139 Cb 0.48 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.94 1jx1 h PHE 139 CO 0.01 0.55 0.02 0.87 -1.61 0.00 0.00 178.31 178.16 1jx1 h LYS 140 N 0.00 0.14 -0.00 1.51 1.57 -1.32 -0.81 116.57 117.65 1jx1 h LYS 140 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jx1 h LYS 140 Cb 1.48 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1jx1 h LYS 140 CO 0.06 0.09 0.00 -0.35 -0.57 0.00 0.00 179.45 178.68 1jx1 n PRO 141 N -5.25 1.04 -3.97 3.15 -0.04 -1.26 -4.73 135.00 123.94 1jx1 n PRO 141 Ca 0.09 -0.06 -0.26 0.00 -0.04 0.00 0.00 63.50 63.23 1jx1 n PRO 141 Cb 0.35 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.00 5.16 0.01 0.52 1.01 -0.31 -5.04 120.40 119.75 1jx1 s VAL 142 Ca 0.40 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1jx1 s VAL 142 Cb 0.19 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1jx1 s VAL 142 CO 0.31 -0.11 -0.01 0.21 0.00 0.00 0.00 175.10 175.51 1jx1 s ASN 143 N -3.25 0.11 -0.65 3.32 2.47 -1.26 -0.35 114.94 115.33 1jx1 s ASN 143 Ca 0.34 -0.23 0.03 0.00 0.42 0.00 0.00 52.86 53.41 1jx1 s ASN 143 Cb -0.11 0.06 0.16 0.00 -1.45 0.00 0.00 41.25 39.92 1jx1 s ASN 143 CO 0.28 -0.15 0.43 -0.36 -3.72 0.00 0.00 177.10 173.57 1jx1 s PHE 144 N -0.73 3.45 0.88 0.43 0.40 0.88 -4.84 117.98 118.44 1jx1 s PHE 144 Ca -0.08 -3.18 -0.11 0.00 -0.60 0.00 0.00 56.93 52.96 1jx1 s PHE 144 Cb -0.05 -2.87 0.12 0.00 0.51 0.00 0.00 43.02 40.73 1jx1 s PHE 144 CO -0.00 -0.67 1.09 -1.25 0.70 0.00 0.00 175.22 175.09 1jx1 s PRO 145 N -0.86 1.41 0.09 0.24 0.04 -1.26 -1.78 135.00 132.87 1jx1 s PRO 145 Ca 0.21 0.96 -0.37 0.00 0.04 0.00 0.00 61.00 61.85 1jx1 s PRO 145 Cb -0.15 -1.82 -0.17 0.00 0.04 0.00 0.00 34.50 32.41 1jx1 s PRO 145 CO -0.08 -2.17 1.26 -2.30 0.04 0.00 0.00 177.00 173.74 1jx1 n PRO 146 N -3.86 0.95 0.00 0.56 -0.02 -1.26 -0.45 135.00 130.92 1jx1 n PRO 146 Ca 0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1jx1 n PRO 146 Cb 0.54 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.28 3.34 3.79 -1.23 0.00 -0.17 -4.99 105.19 108.22 1jx1 n GLY 147 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.71 2.78 0.25 4.61 0.00 0.40 -3.72 121.76 123.36 1jx1 s ALA 148 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.58 1jx1 s ALA 148 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1jx1 s ALA 148 CO 0.00 -0.58 0.08 -1.12 0.00 0.00 0.00 175.76 174.14 1jx1 s SER 149 N -2.14 1.25 0.02 0.00 0.01 -0.81 -1.36 113.70 110.67 1jx1 s SER 149 Ca 0.68 -1.35 0.06 0.00 1.31 0.00 0.00 55.95 56.65 1jx1 s SER 149 Cb -0.18 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1jx1 s SER 149 CO 0.26 -0.70 -0.19 0.54 0.41 0.00 0.00 173.24 173.57 1jx1 s VAL 150 N -3.72 1.49 -0.21 3.43 0.11 0.14 -1.56 120.40 120.08 1jx1 s VAL 150 Ca 0.36 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1jx1 s VAL 150 Cb 0.08 -1.28 0.05 0.00 -1.53 0.00 0.00 36.38 33.69 1jx1 s VAL 150 CO 0.12 0.25 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.70 1jx1 s PHE 151 N -0.66 2.40 -0.46 1.54 0.08 0.18 -1.44 117.98 119.63 1jx1 s PHE 151 Ca 0.06 -1.64 -0.17 0.00 0.12 0.00 0.00 56.93 55.30 1jx1 s PHE 151 Cb -0.08 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 1jx1 s PHE 151 CO 0.01 -0.75 0.48 0.71 -0.10 0.00 0.00 175.22 175.56 1jx1 s TYR 152 N 1.40 3.16 -0.53 0.36 1.51 -0.08 -1.98 117.35 121.19 1jx1 s TYR 152 Ca -0.03 -0.57 -0.16 0.00 -1.01 0.00 0.00 57.07 55.29 1jx1 s TYR 152 Cb -0.17 -3.14 0.11 0.00 -0.11 0.00 0.00 41.96 38.65 1jx1 s TYR 152 CO -0.07 -0.82 0.50 0.50 -1.11 0.00 0.00 175.55 174.55 1jx1 s ARG 153 N 2.13 3.00 -0.79 -0.62 3.52 0.92 -0.97 118.95 126.14 1jx1 s ARG 153 Ca 0.11 -1.50 -0.23 0.00 -0.13 0.00 0.00 55.73 53.97 1jx1 s ARG 153 Cb -0.20 -4.23 0.07 0.00 -1.56 0.00 0.00 34.95 29.02 1jx1 s ARG 153 CO 0.11 -1.26 1.17 -1.14 -0.81 0.00 0.00 175.30 173.36 1jx1 s GLN 154 N 1.82 3.30 0.34 5.12 0.74 -0.52 -0.84 119.66 129.62 1jx1 s GLN 154 Ca 0.05 -0.87 -0.27 0.00 0.05 0.00 0.00 55.36 54.32 1jx1 s GLN 154 Cb -0.27 -4.53 -0.09 0.00 1.10 0.00 0.00 33.01 29.22 1jx1 s GLN 154 CO 0.05 -1.97 1.12 0.45 -0.55 0.00 0.00 175.29 174.39 1jx1 s SER 155 N 3.92 6.90 0.00 6.67 0.15 0.88 -3.08 113.70 129.13 1jx1 s SER 155 Ca 0.32 2.27 0.23 0.00 0.70 0.00 0.00 55.95 59.47 1jx1 s SER 155 Cb -0.09 -2.62 1.08 0.00 -1.71 0.00 0.00 66.02 62.68 1jx1 s SER 155 CO 0.05 -0.40 1.74 -0.81 1.20 0.00 0.00 173.24 175.02 1jx1 n PRO 156 N 0.56 0.19 -0.78 5.44 -0.04 -1.26 -2.70 135.00 136.41 1jx1 n PRO 156 Ca 0.02 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 1jx1 n PRO 156 Cb 0.46 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.76 1jx1 n PRO 156 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jx1 n ASP 157 N -1.38 4.98 -1.73 3.54 8.00 -1.26 -4.90 116.55 123.80 1jx1 n ASP 157 Ca 0.09 -2.82 -0.08 0.00 0.71 0.00 0.00 54.79 52.68 1jx1 n ASP 157 Cb 0.22 -0.67 0.03 0.00 -0.02 0.00 0.00 41.12 40.68 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 0.47 0.33 3.11 0.44 0.00 -1.10 -4.96 105.19 103.49 1jx1 n GLY 158 Ca 0.25 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.12 1.10 -0.26 -0.61 1.01 -1.21 -2.94 121.20 115.16 1jx1 s ILE 159 Ca 0.17 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1jx1 s ILE 159 Cb -0.07 -0.94 0.06 0.00 0.01 0.00 0.00 42.46 41.52 1jx1 s ILE 159 CO 0.28 0.23 -0.10 -0.22 0.00 0.00 0.00 174.94 175.13 1jx1 s LEU 160 N -0.53 3.52 -0.20 2.97 2.96 -0.12 -0.09 118.68 127.19 1jx1 s LEU 160 Ca 0.04 -1.45 -0.13 0.00 -0.22 0.00 0.00 54.13 52.38 1jx1 s LEU 160 Cb -0.06 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 1jx1 s LEU 160 CO -0.00 -0.20 0.26 -0.83 -1.32 0.00 0.00 176.35 174.26 1jx1 s GLY 161 N 1.09 2.08 -0.05 7.98 0.00 -0.02 -0.58 107.32 117.82 1jx1 s GLY 161 Ca -0.08 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 1jx1 s GLY 161 CO -0.05 0.50 0.02 1.08 0.00 0.00 0.00 173.10 174.65 1jx1 s LEU 162 N 0.91 3.66 -0.09 0.66 1.43 -0.50 -0.06 118.68 124.69 1jx1 s LEU 162 Ca 0.13 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 1jx1 s LEU 162 Cb -0.13 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1jx1 s LEU 162 CO 0.05 0.34 0.31 -0.44 0.23 0.00 0.00 176.35 176.83 1jx1 s SER 163 N -1.22 -0.28 -0.08 2.29 0.01 -0.84 -0.90 113.70 112.68 1jx1 s SER 163 Ca 0.17 0.46 0.03 0.00 1.31 0.00 0.00 55.95 57.93 1jx1 s SER 163 Cb -0.12 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1jx1 s SER 163 CO 0.06 -0.21 -0.19 -0.36 0.41 0.00 0.00 173.24 172.95 1jx1 s PHE 164 N -0.29 2.09 0.15 2.43 0.40 -1.26 -0.65 117.98 120.86 1jx1 s PHE 164 Ca -0.04 -0.81 0.11 0.00 -0.60 0.00 0.00 56.93 55.59 1jx1 s PHE 164 Cb -0.03 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1jx1 s PHE 164 CO 0.02 -0.34 -0.25 0.45 0.70 0.00 0.00 175.22 175.79 1jx1 s SER 165 N 0.41 3.40 0.36 1.36 0.15 -0.60 -4.85 113.70 113.92 1jx1 s SER 165 Ca -0.16 -0.78 0.27 0.00 0.70 0.00 0.00 55.95 55.98 1jx1 s SER 165 Cb -0.17 -0.25 0.95 0.00 -1.71 0.00 0.00 66.02 64.84 1jx1 s SER 165 CO 0.06 0.16 1.79 -0.65 1.20 0.00 0.00 173.24 175.80 1jx1 h PRO 166 N 3.62 0.00 0.00 5.44 0.11 -1.89 -2.15 132.00 137.13 1jx1 h PRO 166 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jx1 h PRO 166 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1jx1 h PRO 166 CO 0.43 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.82 1jx1 n ASP 167 N -2.62 0.34 -0.85 -2.05 5.68 -1.26 -3.43 116.55 112.38 1jx1 n ASP 167 Ca 0.03 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.43 1jx1 n ASP 167 Cb 0.34 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.61 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 0.37 -3.10 2.12 -2.24 -1.24 -3.00 114.28 107.18 1jx1 n THR 168 Ca 0.00 -0.54 -0.38 0.00 -2.27 0.00 0.00 64.05 60.86 1jx1 n THR 168 Cb 0.00 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.49 7.18 -0.23 3.42 1.04 -1.26 -5.01 113.70 117.36 1jx1 s SER 169 Ca 0.35 1.46 -0.29 0.00 0.48 0.00 0.00 55.95 57.95 1jx1 s SER 169 Cb 0.20 -2.43 -0.01 0.00 0.10 0.00 0.00 66.02 63.87 1jx1 s SER 169 CO 0.28 0.16 1.35 -0.63 0.98 0.00 0.00 173.24 175.38 1jx1 s ILE 170 N -1.28 4.10 0.70 -1.02 1.01 -1.26 -4.75 121.20 118.70 1jx1 s ILE 170 Ca 0.37 1.28 -0.16 0.00 0.00 0.00 0.00 60.65 62.14 1jx1 s ILE 170 Cb -0.20 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.30 1jx1 s ILE 170 CO 0.22 -0.30 1.21 -2.16 0.00 0.00 0.00 174.94 173.91 1jx1 s PRO 171 N 3.99 2.36 0.12 2.79 0.04 -1.26 -4.86 135.00 138.18 1jx1 s PRO 171 Ca 0.59 1.77 0.25 0.00 0.04 0.00 0.00 61.00 63.66 1jx1 s PRO 171 Cb -0.21 -1.86 0.96 0.00 0.04 0.00 0.00 34.50 33.43 1jx1 s PRO 171 CO 0.21 -1.67 1.78 0.39 0.04 0.00 0.00 177.00 177.75 1jx1 n GLU 172 N -2.44 0.13 -4.08 4.56 1.02 -1.26 -4.67 120.64 113.91 1jx1 n GLU 172 Ca 0.13 0.18 -0.14 0.00 -0.02 0.00 0.00 57.16 57.32 1jx1 n GLU 172 Cb 0.50 -1.68 -0.12 0.00 -0.02 0.00 0.00 31.44 30.12 1jx1 n GLU 172 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1jx1 s LYS 173 N -3.09 0.48 -0.03 3.49 1.02 -1.26 -4.45 119.74 115.90 1jx1 s LYS 173 Ca 0.10 -0.59 -0.18 0.00 0.02 0.00 0.00 55.97 55.32 1jx1 s LYS 173 Cb 0.14 -0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.10 1jx1 s LYS 173 CO 0.50 0.06 0.50 -1.21 -0.92 0.00 0.00 175.35 174.29 1jx1 s GLU 174 N -1.18 4.21 0.41 1.68 2.02 -1.26 -4.82 118.70 119.76 1jx1 s GLU 174 Ca -0.07 0.56 0.20 0.00 0.02 0.00 0.00 54.97 55.68 1jx1 s GLU 174 Cb -0.08 -3.33 0.85 0.00 0.10 0.00 0.00 34.13 31.68 1jx1 s GLU 174 CO 0.00 0.42 1.82 0.00 0.02 0.00 0.00 175.26 177.51 1jx1 h ALA 175 N 5.61 1.09 -2.11 5.21 0.00 -1.40 -3.47 119.26 124.19 1jx1 h ALA 175 Ca -0.46 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.25 1jx1 h ALA 175 Cb 1.20 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 1jx1 h ALA 175 CO 0.69 0.38 0.46 0.00 0.00 0.00 0.00 179.25 180.78 1jx1 s ALA 176 N -3.78 -1.83 -0.22 0.00 0.00 -1.17 -5.01 121.76 109.75 1jx1 s ALA 176 Ca -0.01 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1jx1 s ALA 176 Cb 0.12 0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.40 1jx1 s ALA 176 CO 0.66 -0.56 -0.04 -0.51 0.00 0.00 0.00 175.76 175.31 1jx1 s LEU 177 N -2.00 2.32 -0.27 0.00 1.43 -1.26 -1.41 118.68 117.48 1jx1 s LEU 177 Ca 0.01 -1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 51.80 1jx1 s LEU 177 Cb -0.01 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1jx1 s LEU 177 CO -0.05 -0.24 0.73 -0.63 0.23 0.00 0.00 176.35 176.40 1jx1 s ILE 178 N 1.47 4.88 -1.10 -0.59 -1.09 0.25 -4.91 121.20 120.11 1jx1 s ILE 178 Ca -0.05 1.24 -0.07 0.00 -2.23 0.00 0.00 60.65 59.55 1jx1 s ILE 178 Cb -0.18 -4.05 0.29 0.00 -1.58 0.00 0.00 42.46 36.94 1jx1 s ILE 178 CO -0.07 -0.10 1.27 -0.62 -1.23 0.00 0.00 174.94 174.20 1jx1 n GLU 179 N 5.95 3.95 -3.70 2.79 1.02 -1.26 -0.95 120.64 128.44 1jx1 n GLU 179 Ca 0.02 -4.50 -0.11 0.00 -0.02 0.00 0.00 57.16 52.55 1jx1 n GLU 179 Cb 0.48 -2.53 -0.12 0.00 -0.02 0.00 0.00 31.44 29.25 1jx1 n GLU 179 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jx1 s ASN 180 N -0.04 -0.28 0.06 1.62 3.84 -1.15 -5.02 114.94 113.96 1jx1 s ASN 180 Ca 0.31 0.71 -0.30 0.00 0.21 0.00 0.00 52.86 53.79 1jx1 s ASN 180 Cb -0.04 0.65 -0.18 0.00 -0.55 0.00 0.00 41.25 41.14 1jx1 s ASN 180 CO 0.00 -0.19 1.52 0.50 -2.79 0.00 0.00 177.10 176.14 1jx1 h LYS 181 N 7.38 -0.72 -0.33 0.43 1.63 -1.93 -0.32 116.57 122.71 1jx1 h LYS 181 Ca -0.34 0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.58 1jx1 h LYS 181 Cb 1.16 0.16 -0.08 0.00 -0.60 0.00 0.00 32.23 32.87 1jx1 h LYS 181 CO 0.30 -0.44 -0.22 0.00 -3.45 0.00 0.00 179.45 175.63 1jx1 h ALA 182 N -0.43 -0.01 0.00 5.00 0.00 -1.94 -2.16 119.26 119.72 1jx1 h ALA 182 Ca -0.08 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1jx1 h ALA 182 Cb 0.61 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1jx1 h ALA 182 CO 0.13 -0.61 -0.52 0.28 0.00 0.00 0.00 179.25 178.53 1jx1 h VAL 183 N -0.18 1.35 -0.44 0.00 2.07 -1.91 -2.93 116.25 114.21 1jx1 h VAL 183 Ca 0.17 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.92 1jx1 h VAL 183 Cb 0.44 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1jx1 h VAL 183 CO -0.44 0.51 0.29 0.77 0.02 0.00 0.00 177.57 178.72 1jx1 h SER 184 N 0.00 0.43 -0.01 0.57 4.64 -0.36 -2.55 113.55 116.26 1jx1 h SER 184 Ca -0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jx1 h SER 184 Cb 0.93 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1jx1 h SER 184 CO 0.07 0.30 -0.46 -1.54 -0.87 0.00 0.00 176.83 174.33 1jx1 n SER 185 N -4.48 1.88 -0.14 4.97 3.41 -1.18 -4.54 113.62 113.54 1jx1 n SER 185 Ca 0.05 -1.44 -0.10 0.00 -0.26 0.00 0.00 58.87 57.12 1jx1 n SER 185 Cb 0.14 0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 64.58 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 3.54 0.55 -0.29 7.33 0.00 -1.26 0.51 119.26 129.65 1jx1 h ALA 186 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1jx1 h ALA 186 Cb 0.69 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1jx1 h ALA 186 CO 0.00 0.23 -0.03 0.28 0.00 0.00 0.00 179.25 179.73 1jx1 h VAL 187 N 0.53 0.76 -0.07 0.00 2.07 -1.80 -1.56 116.25 116.17 1jx1 h VAL 187 Ca 0.13 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1jx1 h VAL 187 Cb 0.33 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1jx1 h VAL 187 CO 0.00 0.01 -0.01 0.25 0.02 0.00 0.00 177.57 177.84 1jx1 h LEU 188 N 0.04 0.14 -1.56 2.57 5.85 -1.82 -2.77 115.31 117.77 1jx1 h LEU 188 Ca 0.14 -0.36 0.30 0.00 0.84 0.00 0.00 57.88 58.81 1jx1 h LEU 188 Cb 0.20 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 1jx1 h LEU 188 CO -0.26 0.46 0.74 -0.08 -0.34 0.00 0.00 178.44 178.96 1jx1 h GLU 189 N -0.18 0.24 -0.00 1.25 4.57 -0.60 1.25 114.58 121.10 1jx1 h GLU 189 Ca 0.02 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1jx1 h GLU 189 Cb 0.40 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1jx1 h GLU 189 CO 0.01 0.16 0.00 0.25 -1.18 0.00 0.00 179.01 178.24 1jx1 n THR 190 N -4.50 0.00 -0.05 0.32 -2.24 -0.61 -0.46 114.28 106.75 1jx1 n THR 190 Ca 0.26 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.97 1jx1 n THR 190 Cb 1.04 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1jx1 n THR 190 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1jx1 n MET 191 N -0.91 1.58 0.00 -0.78 2.81 0.42 -4.63 117.12 115.62 1jx1 n MET 191 Ca 0.22 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 1jx1 n MET 191 Cb 0.12 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 -2.53 0.17 -1.07 2.02 -5.35 -0.81 -4.64 119.36 107.16 1jx1 n ILE 192 Ca -0.16 -0.20 -0.29 0.00 -0.27 0.00 0.00 62.75 61.84 1jx1 n ILE 192 Cb 0.73 1.09 0.21 0.00 -1.74 0.00 0.00 39.64 39.93 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 -0.17 1.56 0.33 3.28 0.00 0.39 -4.90 107.32 107.82 1jx1 s GLY 193 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.13 1jx1 s GLY 193 CO 0.00 0.14 1.97 -2.09 0.00 0.00 0.00 173.10 173.11 1jx1 h GLU 194 N -2.29 0.89 -0.96 2.90 4.81 -1.95 -2.72 114.58 115.26 1jx1 h GLU 194 Ca -0.51 -0.05 -0.61 0.00 -0.13 0.00 0.00 59.36 58.06 1jx1 h GLU 194 Cb 1.32 -0.20 -0.30 0.00 0.63 0.00 0.00 28.75 30.20 1jx1 h GLU 194 CO 0.47 0.59 0.69 0.72 -0.73 0.00 0.00 179.01 180.75 1jx1 n HIS 195 N -4.45 3.08 -2.80 0.92 8.25 -1.26 -4.97 115.22 113.98 1jx1 n HIS 195 Ca 0.10 -2.59 -0.42 0.00 -0.26 0.00 0.00 57.72 54.55 1jx1 n HIS 195 Cb 0.13 -1.21 -0.03 0.00 1.12 0.00 0.00 29.99 29.99 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 -3.64 3.43 0.54 -1.41 0.00 -1.03 -4.93 121.76 114.72 1jx1 s ALA 196 Ca 0.61 0.23 0.22 0.00 0.00 0.00 0.00 51.96 53.02 1jx1 s ALA 196 Cb 0.49 -3.31 1.40 0.00 0.00 0.00 0.00 23.12 21.70 1jx1 s ALA 196 CO 0.03 -0.56 2.09 0.28 0.00 0.00 0.00 175.76 177.60 1jx1 h VAL 197 N 5.09 0.80 -3.55 0.00 2.07 -1.92 -3.41 116.25 115.33 1jx1 h VAL 197 Ca -0.32 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.54 1jx1 h VAL 197 Cb 1.15 0.87 -0.24 0.00 -1.52 0.00 0.00 31.29 31.55 1jx1 h VAL 197 CO 0.83 0.00 -0.74 -0.55 0.02 0.00 0.00 177.57 177.14 1jx1 s SER 198 N -6.52 4.26 -0.04 0.57 0.15 -1.26 -5.02 113.70 105.84 1jx1 s SER 198 Ca -0.05 -0.21 0.20 0.00 0.70 0.00 0.00 55.95 56.60 1jx1 s SER 198 Cb 0.18 -1.38 0.65 0.00 -1.71 0.00 0.00 66.02 63.76 1jx1 s SER 198 CO 0.67 0.25 1.55 -0.81 1.20 0.00 0.00 173.24 176.10 1jx1 n PRO 199 N 3.00 3.11 -0.07 5.44 -0.04 -1.26 -4.60 135.00 140.56 1jx1 n PRO 199 Ca -0.18 -2.70 -0.11 0.00 -0.04 0.00 0.00 63.50 60.47 1jx1 n PRO 199 Cb 0.53 -1.67 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 1jx1 n PRO 199 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1jx1 h ASP 200 N 4.01 0.36 -0.50 3.54 3.04 -1.95 -2.58 116.42 122.34 1jx1 h ASP 200 Ca 0.00 -0.26 -0.04 0.00 -3.24 0.00 0.00 57.03 53.50 1jx1 h ASP 200 Cb 1.14 -0.10 -0.02 0.00 -1.04 0.00 0.00 39.33 39.31 1jx1 h ASP 200 CO 0.09 0.53 0.17 -0.07 -2.04 0.00 0.00 179.24 177.91 1jx1 h LEU 201 N 0.18 0.72 -1.47 0.15 4.07 -1.85 -2.31 115.31 114.80 1jx1 h LEU 201 Ca 0.07 -0.19 0.14 0.00 0.08 0.00 0.00 57.88 57.98 1jx1 h LEU 201 Cb 0.32 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.82 1jx1 h LEU 201 CO 0.00 0.72 0.53 0.11 -1.08 0.00 0.00 178.44 178.72 1jx1 h LYS 202 N 0.67 0.52 -0.14 1.13 1.57 -1.81 -2.07 116.57 116.44 1jx1 h LYS 202 Ca 0.16 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.73 1jx1 h LYS 202 Cb 0.25 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1jx1 h LYS 202 CO -0.01 0.34 -0.61 0.00 -0.57 0.00 0.00 179.45 178.61 1jx1 h ARG 203 N 0.53 0.66 -0.10 3.15 3.08 -1.02 -2.79 114.38 117.90 1jx1 h ARG 203 Ca 0.39 -0.52 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1jx1 h ARG 203 Cb 0.76 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 1jx1 h ARG 203 CO -0.15 1.14 0.06 0.00 -1.07 0.00 0.00 179.97 179.95 1jx1 h LEU 205 N 0.09 -0.02 -1.06 0.00 3.38 -1.13 0.43 115.31 117.01 1jx1 h LEU 205 Ca 0.03 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1jx1 h LEU 205 Cb 0.04 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1jx1 h LEU 205 CO -0.01 0.03 0.32 0.00 0.09 0.00 0.00 178.44 178.87 1jx1 h ALA 206 N 1.35 1.26 0.04 1.53 0.00 -1.24 -0.04 119.26 122.15 1jx1 h ALA 206 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1jx1 h ALA 206 Cb 0.28 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jx1 h ALA 206 CO -0.29 0.56 -0.53 0.00 0.00 0.00 0.00 179.25 178.98 1jx1 h ALA 207 N 1.37 0.02 0.00 0.00 0.00 -0.28 -3.38 119.26 116.99 1jx1 h ALA 207 Ca 0.24 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1jx1 h ALA 207 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jx1 h ALA 207 CO -0.03 0.27 -0.75 0.00 0.00 0.00 0.00 179.25 178.74 1jx1 h ARG 208 N -0.32 0.00 -0.15 0.00 3.08 -0.08 -3.39 114.38 113.52 1jx1 h ARG 208 Ca -0.08 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1jx1 h ARG 208 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1jx1 h ARG 208 CO 0.10 0.75 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.36 1jx1 h LEU 209 N 0.00 0.54 -0.77 3.04 -0.00 -1.17 -3.36 115.31 113.59 1jx1 h LEU 209 Ca -0.01 -0.56 0.17 0.00 -0.00 0.00 0.00 57.88 57.48 1jx1 h LEU 209 Cb 1.45 -0.16 -0.11 0.00 -0.00 0.00 0.00 40.66 41.85 1jx1 h LEU 209 CO 0.10 1.00 0.25 -0.65 -0.00 0.00 0.00 178.44 179.14 1jx1 h PRO 210 N 0.10 0.33 -0.49 1.13 0.11 -1.75 0.58 132.00 132.02 1jx1 h PRO 210 Ca 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1jx1 h PRO 210 Cb 0.92 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1jx1 h PRO 210 CO 0.07 0.22 0.32 0.00 -0.21 0.00 0.00 178.00 178.40 1jx1 h ALA 211 N 1.61 1.66 -0.06 -0.75 0.00 -1.83 -2.24 119.26 117.66 1jx1 h ALA 211 Ca 0.44 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.10 1jx1 h ALA 211 Cb 0.75 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jx1 h ALA 211 CO -0.49 0.31 -0.86 -0.07 0.00 0.00 0.00 179.25 178.14 1jx1 h LEU 212 N 0.65 0.71 -1.13 0.00 3.38 -1.17 -3.26 115.31 114.49 1jx1 h LEU 212 Ca 0.18 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 1jx1 h LEU 212 Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1jx1 h LEU 212 CO -0.04 1.30 -0.34 -0.07 0.09 0.00 0.00 178.44 179.38 1jx1 h LEU 213 N 0.36 0.16 0.00 1.67 3.38 -0.46 -2.98 115.31 117.44 1jx1 h LEU 213 Ca -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1jx1 h LEU 213 Cb 1.49 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1jx1 h LEU 213 CO 0.16 0.50 0.00 0.59 0.09 0.00 0.00 178.44 179.78 1jx1 n ASN 214 N -4.09 0.00 -0.02 -0.43 3.02 -0.89 0.11 115.26 112.96 1jx1 n ASN 214 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.56 1jx1 n ASN 214 Cb 0.41 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 1jx1 n ASN 214 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jx1 n GLU 215 N -0.91 0.95 -0.99 3.52 4.71 -1.13 -4.97 120.64 121.82 1jx1 n GLU 215 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 1jx1 n GLU 215 Cb 0.00 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 1jx1 n GLU 215 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jx1 n GLY 216 N 1.98 0.25 3.51 0.62 0.00 0.31 -4.92 105.19 106.95 1jx1 n GLY 216 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1jx1 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 s ALA 217 N -1.53 -1.82 -0.04 4.61 0.00 -1.26 -3.59 121.76 118.13 1jx1 s ALA 217 Ca 0.00 1.15 -0.22 0.00 0.00 0.00 0.00 51.96 52.89 1jx1 s ALA 217 Cb 0.00 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.27 1jx1 s ALA 217 CO 0.00 -0.55 0.48 0.12 0.00 0.00 0.00 175.76 175.82 1jx1 s PHE 218 N -2.35 -0.41 0.12 0.00 5.36 -1.26 -4.85 117.98 114.59 1jx1 s PHE 218 Ca 0.00 0.70 -0.13 0.00 -0.96 0.00 0.00 56.93 56.54 1jx1 s PHE 218 Cb -0.01 0.24 0.02 0.00 -0.34 0.00 0.00 43.02 42.93 1jx1 s PHE 218 CO -0.04 -0.48 0.34 0.21 -1.46 0.00 0.00 175.22 173.79 1jx1 s LYS 219 N -1.18 1.03 0.11 10.12 2.20 -1.26 -4.50 119.74 126.26 1jx1 s LYS 219 Ca -0.12 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.35 1jx1 s LYS 219 Cb -0.03 0.43 -0.06 0.00 -1.51 0.00 0.00 37.83 36.66 1jx1 s LYS 219 CO 0.07 -0.39 1.12 0.42 -0.36 0.00 0.00 175.35 176.21 1jx1 s ILE 220 N -3.84 4.06 0.00 5.43 1.01 -1.26 -3.16 121.20 123.44 1jx1 s ILE 220 Ca 0.05 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1jx1 s ILE 220 Cb 0.03 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1jx1 s ILE 220 CO -0.10 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.65 1jx1 n GLY 221 N 2.60 1.28 2.49 6.18 0.00 -1.26 -5.21 105.19 111.26 1jx1 n GLY 221 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1jx1 n GLY 221 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31