#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jr2 s LYS 2 N 0.00 4.23 0.05 0.03 1.02 -1.26 -2.17 119.74 121.64 1jr2 s LYS 2 Ca 0.00 0.58 0.06 0.00 0.02 0.00 0.00 55.97 56.63 1jr2 s LYS 2 Cb 0.00 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 1jr2 s LYS 2 CO 0.00 0.41 -0.16 0.14 -0.92 0.00 0.00 175.35 174.81 1jr2 s VAL 3 N -0.24 1.31 -0.09 3.17 -7.23 -0.24 -0.67 120.40 116.40 1jr2 s VAL 3 Ca 0.28 -1.15 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1jr2 s VAL 3 Cb -0.17 -1.18 -0.00 0.00 0.56 0.00 0.00 36.38 35.58 1jr2 s VAL 3 CO 0.15 0.01 -0.23 -0.22 -0.31 0.00 0.00 175.10 174.50 1jr2 s LEU 4 N -1.32 2.16 -0.24 1.32 2.96 0.19 -0.80 118.68 122.95 1jr2 s LEU 4 Ca 0.03 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.35 1jr2 s LEU 4 Cb -0.09 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1jr2 s LEU 4 CO 0.02 0.18 0.06 -0.76 -1.32 0.00 0.00 176.35 174.53 1jr2 s LEU 5 N 0.20 3.41 -0.71 -0.68 1.43 0.12 -0.76 118.68 121.69 1jr2 s LEU 5 Ca -0.14 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1jr2 s LEU 5 Cb -0.17 -1.91 0.19 0.00 0.03 0.00 0.00 46.19 44.33 1jr2 s LEU 5 CO 0.07 -0.03 0.61 -0.76 0.23 0.00 0.00 176.35 176.48 1jr2 s LEU 6 N 1.55 6.18 0.31 1.79 1.43 -0.44 -1.21 118.68 128.29 1jr2 s LEU 6 Ca 0.06 -2.59 0.11 0.00 -1.03 0.00 0.00 54.13 50.68 1jr2 s LEU 6 Cb -0.15 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 1jr2 s LEU 6 CO 0.03 -0.55 -0.13 -1.59 0.23 0.00 0.00 176.35 174.34 1jr2 s LYS 7 N 0.33 1.81 0.21 1.70 -2.85 -1.12 -3.17 119.74 116.65 1jr2 s LYS 7 Ca 0.15 -1.81 -0.11 0.00 -1.00 0.00 0.00 55.97 53.20 1jr2 s LYS 7 Cb -0.16 -1.78 0.29 0.00 -2.06 0.00 0.00 37.83 34.11 1jr2 s LYS 7 CO -0.06 0.24 1.69 -0.44 0.10 0.00 0.00 175.35 176.88 1jr2 h ASP 8 N 2.10 -0.12 -5.01 0.03 5.19 -1.93 -0.02 116.42 116.66 1jr2 h ASP 8 Ca -0.41 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.09 1jr2 h ASP 8 Cb 1.25 0.20 -0.13 0.00 0.18 0.00 0.00 39.33 40.84 1jr2 h ASP 8 CO 0.65 -0.05 0.17 0.00 -3.12 0.00 0.00 179.24 176.89 1jr2 s ALA 9 N -6.13 -1.54 0.05 3.45 0.00 -1.26 -2.49 121.76 113.85 1jr2 s ALA 9 Ca -0.13 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1jr2 s ALA 9 Cb 0.18 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.97 1jr2 s ALA 9 CO 0.74 -0.69 1.16 0.21 0.00 0.00 0.00 175.76 177.17 1jr2 s LYS 10 N -3.35 4.46 0.40 0.00 2.20 -1.26 -5.00 119.74 117.19 1jr2 s LYS 10 Ca -0.01 1.70 0.08 0.00 -0.36 0.00 0.00 55.97 57.38 1jr2 s LYS 10 Cb -0.01 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1jr2 s LYS 10 CO -0.09 -0.21 0.52 -1.21 -0.36 0.00 0.00 175.35 174.00 1jr2 s GLU 11 N 1.02 2.87 -0.20 4.03 2.02 -1.26 -5.05 118.70 122.13 1jr2 s GLU 11 Ca 0.57 -1.21 -0.03 0.00 0.02 0.00 0.00 54.97 54.32 1jr2 s GLU 11 Cb -0.28 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.28 1jr2 s GLU 11 CO 0.29 -0.18 0.04 0.34 0.02 0.00 0.00 175.26 175.77 1jr2 s ASP 12 N -4.28 3.02 -0.37 -0.19 -1.08 -1.26 -3.02 116.67 109.49 1jr2 s ASP 12 Ca 0.52 -0.89 0.02 0.00 -0.52 0.00 0.00 52.55 51.68 1jr2 s ASP 12 Cb -0.09 -0.63 0.11 0.00 -1.46 0.00 0.00 42.92 40.85 1jr2 s ASP 12 CO 0.32 -0.31 0.11 -0.62 0.52 0.00 0.00 175.17 175.19 1jr2 s ASP 13 N 1.83 4.88 -1.50 -0.34 2.15 0.74 -4.75 116.67 119.69 1jr2 s ASP 13 Ca -0.00 -2.18 -0.10 0.00 0.43 0.00 0.00 52.55 50.69 1jr2 s ASP 13 Cb -0.17 -1.69 0.07 0.00 -0.30 0.00 0.00 42.92 40.83 1jr2 s ASP 13 CO -0.09 -0.42 0.86 0.00 -0.17 0.00 0.00 175.17 175.36 1jr2 n GLY 15 N -1.66 0.77 3.09 0.00 0.00 -1.26 -5.07 105.19 101.05 1jr2 n GLY 15 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 1jr2 n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jr2 s GLN 16 N -0.79 0.58 0.09 1.61 -0.21 -1.18 -5.05 119.66 114.72 1jr2 s GLN 16 Ca 0.00 -0.92 -0.31 0.00 0.02 0.00 0.00 55.36 54.15 1jr2 s GLN 16 Cb 0.00 0.22 -0.07 0.00 1.00 0.00 0.00 33.01 34.16 1jr2 s GLN 16 CO 0.00 -0.13 1.29 0.34 -2.12 0.00 0.00 175.29 174.67 1jr2 s ASP 17 N -2.38 6.96 0.51 5.90 -1.08 -1.17 -0.19 116.67 125.23 1jr2 s ASP 17 Ca -0.01 2.17 0.27 0.00 -0.52 0.00 0.00 52.55 54.46 1jr2 s ASP 17 Cb 0.01 -2.58 1.37 0.00 -1.46 0.00 0.00 42.92 40.26 1jr2 s ASP 17 CO -0.07 -0.55 2.03 1.55 0.52 0.00 0.00 175.17 178.66 1jr2 h PRO 18 N 6.70 0.00 -0.03 4.34 0.13 -1.88 -0.76 132.00 140.50 1jr2 h PRO 18 Ca -0.42 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 1jr2 h PRO 18 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1jr2 h PRO 18 CO 0.83 0.13 -0.41 1.88 -0.23 0.00 0.00 178.00 180.21 1jr2 h TYR 19 N 0.00 0.47 -0.51 1.56 -1.99 -1.93 -2.11 116.97 112.47 1jr2 h TYR 19 Ca -0.00 -0.23 -0.06 0.00 2.00 0.00 0.00 58.73 60.44 1jr2 h TYR 19 Cb 0.40 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 1jr2 h TYR 19 CO 0.00 1.01 0.09 0.97 -0.00 0.00 0.00 178.16 180.24 1jr2 h ILE 20 N -0.20 1.25 -0.74 -2.88 6.09 -1.88 -2.66 117.51 116.49 1jr2 h ILE 20 Ca -0.04 -0.91 -0.00 0.00 -1.37 0.00 0.00 64.86 62.54 1jr2 h ILE 20 Cb 1.10 0.86 -0.04 0.00 0.47 0.00 0.00 36.82 39.22 1jr2 h ILE 20 CO 0.08 0.33 0.45 -0.09 -3.07 0.00 0.00 178.15 175.84 1jr2 h ARG 21 N 0.71 1.00 -0.61 2.19 2.43 -1.20 -2.22 114.38 116.69 1jr2 h ARG 21 Ca 0.16 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1jr2 h ARG 21 Cb 0.38 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1jr2 h ARG 21 CO 0.01 0.71 0.31 1.49 -1.51 0.00 0.00 179.97 180.98 1jr2 h GLU 22 N 1.01 0.87 -0.77 0.20 4.57 -1.26 -2.63 114.58 116.58 1jr2 h GLU 22 Ca 0.27 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1jr2 h GLU 22 Cb -0.03 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 1jr2 h GLU 22 CO -0.05 0.69 0.27 -0.07 -1.18 0.00 0.00 179.01 178.67 1jr2 h LEU 23 N 0.84 1.09 -1.88 1.64 3.38 -1.28 -2.69 115.31 116.42 1jr2 h LEU 23 Ca 0.21 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1jr2 h LEU 23 Cb 0.09 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1jr2 h LEU 23 CO -0.03 0.99 0.35 1.23 0.09 0.00 0.00 178.44 181.07 1jr2 h GLY 24 N 1.14 0.20 1.10 0.83 0.00 -1.05 -0.99 103.07 104.30 1jr2 h GLY 24 Ca 0.25 -0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.65 1jr2 h GLY 24 CO -0.01 0.03 0.33 1.41 0.00 0.00 0.00 176.54 178.30 1jr2 h LEU 25 N 0.13 0.00 -3.42 3.11 3.38 -1.18 -2.76 115.31 114.57 1jr2 h LEU 25 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1jr2 h LEU 25 Cb 0.77 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1jr2 h LEU 25 CO -0.03 0.00 0.04 -1.22 0.09 0.00 0.00 178.44 177.32 1jr2 n TYR 26 N -4.19 1.46 -1.02 1.13 4.02 -0.40 -4.93 117.16 113.23 1jr2 n TYR 26 Ca 0.07 -0.98 -0.01 0.00 -0.01 0.00 0.00 57.90 56.97 1jr2 n TYR 26 Cb 0.52 -0.44 -0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1jr2 n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jr2 n GLY 27 N -0.29 0.37 3.55 2.72 0.00 -1.04 -4.99 105.19 105.51 1jr2 n GLY 27 Ca 0.27 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1jr2 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jr2 s LEU 28 N -0.12 4.33 -0.57 0.99 1.02 -1.04 -4.30 118.68 118.99 1jr2 s LEU 28 Ca 0.00 -0.02 -0.28 0.00 0.02 0.00 0.00 54.13 53.86 1jr2 s LEU 28 Cb 0.00 -2.78 0.01 0.00 0.02 0.00 0.00 46.19 43.44 1jr2 s LEU 28 CO 0.00 -0.67 1.52 -1.61 0.02 0.00 0.00 176.35 175.61 1jr2 s GLU 29 N 2.78 3.17 -0.03 1.70 2.02 -0.92 -3.02 118.70 124.39 1jr2 s GLU 29 Ca 0.24 0.50 0.01 0.00 0.02 0.00 0.00 54.97 55.74 1jr2 s GLU 29 Cb -0.14 -4.19 -0.03 0.00 0.10 0.00 0.00 34.13 29.87 1jr2 s GLU 29 CO 0.17 -2.10 -0.02 0.00 0.02 0.00 0.00 175.26 173.33 1jr2 s ALA 30 N 6.67 3.20 -0.01 5.21 0.00 -1.26 -1.08 121.76 134.50 1jr2 s ALA 30 Ca 0.56 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1jr2 s ALA 30 Cb -0.12 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 1jr2 s ALA 30 CO 0.24 0.62 -0.18 0.99 0.00 0.00 0.00 175.76 177.42 1jr2 s THR 31 N -0.98 1.45 -0.19 0.00 2.01 0.02 -4.97 115.64 112.98 1jr2 s THR 31 Ca 0.17 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 1jr2 s THR 31 Cb -0.11 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1jr2 s THR 31 CO 0.07 0.39 0.01 -0.22 -0.69 0.00 0.00 174.62 174.18 1jr2 s LEU 32 N -0.48 3.38 -0.18 4.42 0.20 -1.26 0.12 118.68 124.87 1jr2 s LEU 32 Ca 0.07 -0.14 0.00 0.00 0.69 0.00 0.00 54.13 54.75 1jr2 s LEU 32 Cb -0.07 -1.85 0.01 0.00 -0.43 0.00 0.00 46.19 43.85 1jr2 s LEU 32 CO -0.01 0.09 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.35 1jr2 s ILE 33 N 0.85 2.38 0.43 6.68 1.01 -0.35 -4.98 121.20 127.22 1jr2 s ILE 33 Ca 0.01 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.59 1jr2 s ILE 33 Cb -0.14 -2.01 -0.08 0.00 0.01 0.00 0.00 42.46 40.23 1jr2 s ILE 33 CO 0.02 0.52 1.08 -2.16 0.00 0.00 0.00 174.94 174.40 1jr2 s PRO 34 N 1.20 4.01 -0.00 2.79 0.04 -1.26 -2.81 135.00 138.97 1jr2 s PRO 34 Ca 0.02 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1jr2 s PRO 34 Cb -0.14 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1jr2 s PRO 34 CO -0.08 -0.29 0.14 1.33 0.04 0.00 0.00 177.00 178.14 1jr2 n VAL 35 N -0.28 0.00 -4.54 -0.36 0.24 -0.02 -4.71 118.33 108.65 1jr2 n VAL 35 Ca 0.06 -0.40 -0.30 0.00 -2.04 0.00 0.00 64.34 61.66 1jr2 n VAL 35 Cb 0.49 0.97 -0.12 0.00 -1.47 0.00 0.00 33.84 33.70 1jr2 n VAL 35 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1jr2 s LEU 36 N -2.22 2.55 0.29 1.34 1.43 -1.04 -0.60 118.68 120.43 1jr2 s LEU 36 Ca 0.01 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1jr2 s LEU 36 Cb 0.03 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1jr2 s LEU 36 CO 0.14 0.22 0.27 -0.55 0.23 0.00 0.00 176.35 176.66 1jr2 s SER 37 N -1.72 1.05 0.09 2.29 0.15 0.01 -4.51 113.70 111.07 1jr2 s SER 37 Ca 0.15 -1.58 -0.06 0.00 0.70 0.00 0.00 55.95 55.17 1jr2 s SER 37 Cb -0.10 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1jr2 s SER 37 CO 0.07 -1.03 0.13 0.72 1.20 0.00 0.00 173.24 174.32 1jr2 s PHE 38 N -3.62 0.38 0.02 3.44 -0.12 -1.26 -1.17 117.98 115.65 1jr2 s PHE 38 Ca 0.38 -0.83 0.01 0.00 -0.05 0.00 0.00 56.93 56.44 1jr2 s PHE 38 Cb 0.03 -0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 1jr2 s PHE 38 CO 0.21 -0.52 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.61 1jr2 s GLU 39 N -3.92 0.36 0.13 1.99 2.02 -0.85 -4.96 118.70 113.48 1jr2 s GLU 39 Ca 0.10 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.45 1jr2 s GLU 39 Cb 0.06 -0.06 -0.06 0.00 0.10 0.00 0.00 34.13 34.17 1jr2 s GLU 39 CO -0.07 -0.00 0.38 -0.06 0.02 0.00 0.00 175.26 175.52 1jr2 s PHE 40 N -1.24 3.49 0.03 1.61 0.40 -1.26 -1.07 117.98 119.94 1jr2 s PHE 40 Ca -0.12 0.59 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 1jr2 s PHE 40 Cb -0.09 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 1jr2 s PHE 40 CO -0.00 0.45 -0.05 -0.51 0.70 0.00 0.00 175.22 175.80 1jr2 s LEU 41 N -2.55 2.28 -1.55 -0.37 1.43 0.00 -4.90 118.68 113.02 1jr2 s LEU 41 Ca 0.40 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1jr2 s LEU 41 Cb -0.12 0.00 0.09 0.00 0.03 0.00 0.00 46.19 46.18 1jr2 s LEU 41 CO 0.23 -0.30 0.75 -1.20 0.23 0.00 0.00 176.35 176.06 1jr2 n SER 42 N 1.34 -2.81 0.08 2.29 7.64 -1.26 -4.30 113.62 116.60 1jr2 n SER 42 Ca -0.22 -0.93 -0.08 0.00 1.01 0.00 0.00 58.87 58.65 1jr2 n SER 42 Cb 0.56 -3.27 0.02 0.00 -1.01 0.00 0.00 64.21 60.51 1jr2 n SER 42 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1jr2 h LEU 43 N -1.79 0.28 0.48 -3.43 3.38 -1.91 -1.38 115.31 110.94 1jr2 h LEU 43 Ca -0.60 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.14 1jr2 h LEU 43 Cb 1.38 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1jr2 h LEU 43 CO 0.69 0.97 -0.23 -0.65 0.09 0.00 0.00 178.44 179.32 1jr2 h PRO 44 N 0.14 -0.62 -0.62 1.13 0.11 -1.91 0.93 132.00 131.16 1jr2 h PRO 44 Ca -0.04 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.25 1jr2 h PRO 44 Cb 1.40 0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.55 1jr2 h PRO 44 CO 0.12 -0.38 0.05 1.03 -0.21 0.00 0.00 178.00 178.61 1jr2 h SER 45 N -0.70 -0.18 -0.69 -2.05 0.87 -1.96 -0.07 113.55 108.78 1jr2 h SER 45 Ca -0.07 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1jr2 h SER 45 Cb 0.52 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 1jr2 h SER 45 CO 0.11 -0.08 0.45 0.15 -0.53 0.00 0.00 176.83 176.93 1jr2 h PHE 46 N 0.16 0.82 -0.41 2.24 3.57 -1.05 -1.03 116.94 121.24 1jr2 h PHE 46 Ca 0.33 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.76 1jr2 h PHE 46 Cb 0.53 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1jr2 h PHE 46 CO -0.33 0.50 -0.11 0.66 -2.23 0.00 0.00 178.31 176.80 1jr2 h SER 47 N 0.87 0.73 -0.05 0.41 4.64 0.10 -0.78 113.55 119.47 1jr2 h SER 47 Ca 0.27 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1jr2 h SER 47 Cb -0.00 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1jr2 h SER 47 CO -0.07 0.87 -0.02 1.05 -0.87 0.00 0.00 176.83 177.79 1jr2 h GLU 48 N 0.67 0.09 -0.86 4.77 4.11 -0.36 -2.13 114.58 120.87 1jr2 h GLU 48 Ca 0.12 -0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.57 1jr2 h GLU 48 Cb 0.58 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1jr2 h GLU 48 CO 0.04 0.46 0.53 0.87 0.07 0.00 0.00 179.01 180.98 1jr2 h LYS 49 N -0.28 0.95 0.00 1.06 1.57 -1.10 0.28 116.57 119.04 1jr2 h LYS 49 Ca 0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1jr2 h LYS 49 Cb 0.43 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1jr2 h LYS 49 CO 0.01 0.63 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.33 1jr2 h LEU 50 N 0.97 0.00 -2.02 2.94 -0.00 -1.01 -1.88 115.31 114.30 1jr2 h LEU 50 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.25 1jr2 h LEU 50 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1jr2 h LEU 50 CO -0.17 0.11 0.00 -1.54 -0.00 0.00 0.00 178.44 176.84 1jr2 n SER 51 N -3.73 2.96 -3.09 -0.43 3.41 0.07 -4.23 113.62 108.58 1jr2 n SER 51 Ca -0.02 -2.03 -0.21 0.00 -0.26 0.00 0.00 58.87 56.35 1jr2 n SER 51 Cb 0.22 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 1jr2 n SER 51 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1jr2 n HIS 52 N 1.06 1.57 0.27 7.33 8.25 -0.71 -4.94 115.22 128.06 1jr2 n HIS 52 Ca 0.18 -3.87 0.12 0.00 -0.26 0.00 0.00 57.72 53.90 1jr2 n HIS 52 Cb 0.48 -0.44 0.77 0.00 1.12 0.00 0.00 29.99 31.92 1jr2 n HIS 52 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jr2 h PRO 53 N 2.99 0.00 0.00 -0.41 0.13 -1.74 -1.53 132.00 131.45 1jr2 h PRO 53 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1jr2 h PRO 53 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1jr2 h PRO 53 CO 0.61 0.07 0.04 1.05 -0.23 0.00 0.00 178.00 179.54 1jr2 h GLU 54 N 0.00 0.00 -0.10 0.86 9.09 -1.93 0.16 114.58 122.66 1jr2 h GLU 54 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jr2 h GLU 54 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1jr2 h GLU 54 CO 0.01 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.82 1jr2 n ASP 55 N -2.76 1.84 -4.18 3.06 8.00 -0.58 -4.95 116.55 116.98 1jr2 n ASP 55 Ca -0.02 -1.66 -0.14 0.00 0.71 0.00 0.00 54.79 53.67 1jr2 n ASP 55 Cb 0.09 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 1jr2 n ASP 55 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1jr2 s TYR 56 N -1.89 1.07 -1.74 1.24 1.51 0.04 -4.24 117.35 113.34 1jr2 s TYR 56 Ca 0.35 -0.65 0.26 0.00 -1.01 0.00 0.00 57.07 56.02 1jr2 s TYR 56 Cb 0.20 -0.58 0.64 0.00 -0.11 0.00 0.00 41.96 42.10 1jr2 s TYR 56 CO 0.30 0.00 1.49 0.41 -1.11 0.00 0.00 175.55 176.65 1jr2 n GLY 57 N 0.56 -0.57 0.00 0.71 0.00 0.81 -4.85 105.19 101.86 1jr2 n GLY 57 Ca -0.16 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1jr2 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jr2 n GLY 58 N 1.36 -1.14 3.03 -0.02 0.00 -1.26 -3.20 105.19 103.96 1jr2 n GLY 58 Ca 0.11 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 1jr2 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jr2 s LEU 59 N 0.00 2.12 -0.08 0.99 1.43 -0.20 -0.55 118.68 122.39 1jr2 s LEU 59 Ca 0.00 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1jr2 s LEU 59 Cb 0.00 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.92 1jr2 s LEU 59 CO 0.00 -0.03 -0.18 -0.63 0.23 0.00 0.00 176.35 175.75 1jr2 s ILE 60 N -0.68 1.56 -0.12 -0.59 1.01 -0.21 -0.35 121.20 121.81 1jr2 s ILE 60 Ca -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1jr2 s ILE 60 Cb -0.06 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1jr2 s ILE 60 CO 0.00 0.45 -0.18 -0.36 0.00 0.00 0.00 174.94 174.85 1jr2 s PHE 61 N 0.55 2.28 -0.17 3.97 0.40 -0.29 -3.85 117.98 120.87 1jr2 s PHE 61 Ca -0.16 -1.12 0.02 0.00 -0.60 0.00 0.00 56.93 55.07 1jr2 s PHE 61 Cb -0.17 -1.60 0.04 0.00 0.51 0.00 0.00 43.02 41.81 1jr2 s PHE 61 CO 0.06 -0.55 0.93 0.25 0.70 0.00 0.00 175.22 176.61 1jr2 n THR 62 N 4.17 0.76 -3.72 0.64 -2.24 -1.26 -1.81 114.28 110.83 1jr2 n THR 62 Ca -0.19 -0.88 -0.14 0.00 -2.27 0.00 0.00 64.05 60.57 1jr2 n THR 62 Cb 0.51 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 69.28 1jr2 n THR 62 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jr2 s SER 63 N -0.80 -0.42 0.50 3.42 0.15 -1.26 -4.73 113.70 110.56 1jr2 s SER 63 Ca 0.03 0.72 0.15 0.00 0.70 0.00 0.00 55.95 57.56 1jr2 s SER 63 Cb 0.02 0.76 1.19 0.00 -1.71 0.00 0.00 66.02 66.28 1jr2 s SER 63 CO 0.03 -0.24 2.11 1.55 1.20 0.00 0.00 173.24 177.88 1jr2 h PRO 64 N 4.96 0.04 -0.78 5.44 0.13 -1.90 -1.14 132.00 138.76 1jr2 h PRO 64 Ca -0.28 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1jr2 h PRO 64 Cb 1.18 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1jr2 h PRO 64 CO 0.27 0.06 0.51 0.00 -0.23 0.00 0.00 178.00 178.62 1jr2 h ARG 65 N 0.04 0.89 -0.17 0.86 2.47 -1.98 -0.57 114.38 115.92 1jr2 h ARG 65 Ca 0.01 -0.05 -0.16 0.00 -1.26 0.00 0.00 59.98 58.51 1jr2 h ARG 65 Cb 0.06 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 1jr2 h ARG 65 CO 0.00 0.59 -0.57 0.00 0.56 0.00 0.00 179.97 180.55 1jr2 h ALA 66 N 1.56 0.70 -0.30 0.04 0.00 -1.53 -0.02 119.26 119.70 1jr2 h ALA 66 Ca 0.32 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1jr2 h ALA 66 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jr2 h ALA 66 CO -0.10 0.70 -0.46 0.28 0.00 0.00 0.00 179.25 179.67 1jr2 h VAL 67 N 0.40 1.29 -0.32 0.00 2.07 -1.40 -0.84 116.25 117.44 1jr2 h VAL 67 Ca 0.00 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 65.89 1jr2 h VAL 67 Cb 1.11 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1jr2 h VAL 67 CO 0.11 0.54 0.18 -0.33 0.02 0.00 0.00 177.57 178.08 1jr2 h GLU 68 N 0.63 0.36 -0.79 1.57 5.08 -0.96 -1.42 114.58 119.05 1jr2 h GLU 68 Ca 0.04 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1jr2 h GLU 68 Cb 1.03 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 1jr2 h GLU 68 CO 0.10 0.24 0.52 0.00 -1.00 0.00 0.00 179.01 178.87 1jr2 h ALA 69 N 1.15 1.59 0.38 3.43 0.00 -0.72 -0.26 119.26 124.83 1jr2 h ALA 69 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1jr2 h ALA 69 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1jr2 h ALA 69 CO -0.07 0.30 -0.18 0.00 0.00 0.00 0.00 179.25 179.29 1jr2 h ALA 70 N 1.56 -0.51 -0.16 0.00 0.00 -0.41 0.23 119.26 119.96 1jr2 h ALA 70 Ca 0.33 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1jr2 h ALA 70 Cb 0.17 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1jr2 h ALA 70 CO -0.11 -0.76 -0.27 1.49 0.00 0.00 0.00 179.25 179.61 1jr2 h GLU 71 N -0.58 -0.31 -0.90 0.00 4.81 -0.89 -1.92 114.58 114.79 1jr2 h GLU 71 Ca -0.05 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1jr2 h GLU 71 Cb 0.43 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 1jr2 h GLU 71 CO 0.09 -0.21 0.56 -0.07 -0.73 0.00 0.00 179.01 178.65 1jr2 h LEU 72 N -0.32 0.87 -0.39 1.64 3.38 -0.98 -2.40 115.31 117.10 1jr2 h LEU 72 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jr2 h LEU 72 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jr2 h LEU 72 CO -0.35 0.54 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1jr2 h LEU 74 N 0.00 0.53 -0.13 0.00 3.38 -0.93 -3.00 115.31 115.17 1jr2 h LEU 74 Ca 0.00 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 1jr2 h LEU 74 Cb 0.86 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1jr2 h LEU 74 CO 0.00 1.21 0.04 -0.33 0.09 0.00 0.00 178.44 179.46 1jr2 h GLU 75 N -0.09 0.19 -0.10 1.13 5.08 -1.39 -0.99 114.58 118.42 1jr2 h GLU 75 Ca -0.07 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1jr2 h GLU 75 Cb 1.30 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1jr2 h GLU 75 CO 0.12 0.32 -0.34 1.96 -1.00 0.00 0.00 179.01 180.06 1jr2 h GLN 76 N 0.03 0.19 -0.48 2.33 4.20 -1.56 -3.06 115.11 116.75 1jr2 h GLN 76 Ca 0.04 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1jr2 h GLN 76 Cb 0.20 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1jr2 h GLN 76 CO -0.00 0.51 0.00 0.09 -0.67 0.00 0.00 178.83 178.76 1jr2 n ASN 77 N -4.09 5.20 -0.13 1.46 4.13 -1.13 -4.95 115.26 115.74 1jr2 n ASN 77 Ca -0.01 -2.97 -0.02 0.00 1.68 0.00 0.00 54.58 53.26 1jr2 n ASN 77 Cb 0.42 -0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 38.00 1jr2 n ASN 77 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1jr2 n ASN 78 N 0.27 -4.15 -0.63 6.41 2.85 -1.16 -4.89 115.26 113.96 1jr2 n ASN 78 Ca 0.26 0.04 0.09 0.00 -0.11 0.00 0.00 54.58 54.86 1jr2 n ASN 78 Cb 1.11 -1.81 0.28 0.00 1.24 0.00 0.00 39.78 40.61 1jr2 n ASN 78 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1jr2 n LYS 79 N -1.69 1.82 0.07 1.20 4.76 -0.39 -4.39 118.16 119.54 1jr2 n LYS 79 Ca -0.02 -1.24 -0.11 0.00 -2.87 0.00 0.00 58.31 54.06 1jr2 n LYS 79 Cb 0.21 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 32.00 1jr2 n LYS 79 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1jr2 h THR 80 N 2.29 0.47 -0.06 -0.18 2.02 -1.85 0.81 112.91 116.41 1jr2 h THR 80 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1jr2 h THR 80 Cb 0.51 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1jr2 h THR 80 CO 0.00 0.00 -0.37 -0.33 0.37 0.00 0.00 175.52 175.19 1jr2 h GLU 81 N -0.38 -0.40 -1.00 6.66 4.39 -1.93 -2.11 114.58 119.81 1jr2 h GLU 81 Ca 0.05 0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.96 1jr2 h GLU 81 Cb 0.45 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.09 1jr2 h GLU 81 CO -0.19 -0.27 0.62 0.28 -1.16 0.00 0.00 179.01 178.29 1jr2 h VAL 82 N -0.42 0.76 0.26 3.13 2.07 -1.79 1.61 116.25 121.86 1jr2 h VAL 82 Ca 0.02 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1jr2 h VAL 82 Cb 0.47 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1jr2 h VAL 82 CO -0.28 0.15 -0.19 -0.25 0.02 0.00 0.00 177.57 177.01 1jr2 h TRP 83 N 0.80 -0.51 -0.06 1.57 2.91 -0.41 1.29 115.95 121.55 1jr2 h TRP 83 Ca 0.56 -0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.46 1jr2 h TRP 83 Cb 0.82 0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.64 1jr2 h TRP 83 CO -0.00 -0.30 -0.49 0.93 -1.03 0.00 0.00 178.44 177.55 1jr2 h GLU 84 N -0.46 0.15 0.04 2.65 5.08 -0.45 0.40 114.58 121.99 1jr2 h GLU 84 Ca -0.02 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1jr2 h GLU 84 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1jr2 h GLU 84 CO -0.01 0.61 -0.47 0.07 -1.00 0.00 0.00 179.01 178.21 1jr2 h ARG 85 N 0.12 0.08 0.00 2.33 0.11 0.28 -3.45 114.38 113.84 1jr2 h ARG 85 Ca 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1jr2 h ARG 85 Cb 0.90 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1jr2 h ARG 85 CO 0.07 1.06 -0.06 -1.13 0.10 0.00 0.00 179.97 180.01 1jr2 n SER 86 N -4.43 0.00 -0.05 0.08 3.41 0.41 -4.95 113.62 108.09 1jr2 n SER 86 Ca -0.15 -1.12 -0.11 0.00 -0.26 0.00 0.00 58.87 57.23 1jr2 n SER 86 Cb 0.61 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 1jr2 n SER 86 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jr2 n LEU 87 N 0.00 1.20 -0.26 1.04 4.77 0.57 -4.31 117.00 120.01 1jr2 n LEU 87 Ca 0.00 0.20 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 1jr2 n LEU 87 Cb 0.52 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1jr2 n LEU 87 CO 0.00 -0.01 0.60 0.50 -1.33 0.00 0.00 177.39 177.15 1jr2 h LYS 88 N -0.51 -0.12 -0.04 3.23 3.64 -0.42 0.34 116.57 122.69 1jr2 h LYS 88 Ca -0.22 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 1jr2 h LYS 88 Cb 1.01 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1jr2 h LYS 88 CO -0.13 -0.08 -0.45 1.05 -2.27 0.00 0.00 179.45 177.57 1jr2 h GLU 89 N -0.12 0.10 -0.00 1.90 4.11 -1.85 0.71 114.58 119.43 1jr2 h GLU 89 Ca 0.25 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.63 1jr2 h GLU 89 Cb 0.56 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1jr2 h GLU 89 CO -0.78 0.53 0.00 0.87 0.07 0.00 0.00 179.01 179.70 1jr2 h LYS 90 N 0.08 0.00 -0.50 1.06 1.57 -0.69 -2.01 116.57 116.09 1jr2 h LYS 90 Ca 0.00 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1jr2 h LYS 90 Cb 0.83 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1jr2 h LYS 90 CO 0.06 0.23 0.09 -1.49 -0.57 0.00 0.00 179.45 177.77 1jr2 h TRP 91 N -0.23 0.80 0.00 -1.35 4.06 -0.43 -2.54 115.95 116.27 1jr2 h TRP 91 Ca 0.00 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.87 1jr2 h TRP 91 Cb 0.23 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1jr2 h TRP 91 CO 0.00 0.70 0.00 -0.91 -3.56 0.00 0.00 178.44 174.67 1jr2 h ASN 92 N 0.74 0.00 1.78 -3.49 2.35 -0.59 -0.93 115.58 115.44 1jr2 h ASN 92 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1jr2 h ASN 92 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1jr2 h ASN 92 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1jr2 h ALA 93 N 2.02 1.00 -3.09 -0.83 0.00 -0.92 -3.45 119.26 113.98 1jr2 h ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jr2 h ALA 93 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jr2 h ALA 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1jr2 n LYS 94 N -3.08 0.79 -3.88 0.00 4.76 -0.36 -5.06 118.16 111.34 1jr2 n LYS 94 Ca 0.03 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.12 1jr2 n LYS 94 Cb 0.48 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.59 1jr2 n LYS 94 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1jr2 s SER 95 N -1.00 5.99 -0.21 4.39 0.01 -1.19 -5.00 113.70 116.68 1jr2 s SER 95 Ca 0.00 0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.48 1jr2 s SER 95 Cb 0.00 -2.02 0.04 0.00 0.21 0.00 0.00 66.02 64.26 1jr2 s SER 95 CO 0.00 0.22 -0.12 -0.69 0.41 0.00 0.00 173.24 173.06 1jr2 s VAL 96 N 0.13 1.83 -0.06 3.43 1.01 -1.26 -1.03 120.40 124.44 1jr2 s VAL 96 Ca 0.07 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1jr2 s VAL 96 Cb -0.12 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1jr2 s VAL 96 CO -0.00 0.18 0.01 -0.31 0.00 0.00 0.00 175.10 174.97 1jr2 s TYR 97 N 1.31 3.15 -0.01 5.22 1.51 0.53 -4.80 117.35 124.26 1jr2 s TYR 97 Ca -0.02 0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.21 1jr2 s TYR 97 Cb -0.17 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1jr2 s TYR 97 CO -0.08 0.47 -0.01 0.08 -1.11 0.00 0.00 175.55 174.90 1jr2 s VAL 98 N -0.96 0.14 0.01 0.71 1.01 -1.26 -1.14 120.40 118.91 1jr2 s VAL 98 Ca 0.16 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.18 1jr2 s VAL 98 Cb -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1jr2 s VAL 98 CO 0.05 0.06 -0.22 -0.69 0.00 0.00 0.00 175.10 174.30 1jr2 s VAL 99 N 0.19 2.42 0.00 2.92 1.01 -0.75 -3.44 120.40 122.76 1jr2 s VAL 99 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1jr2 s VAL 99 Cb -0.04 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1jr2 s VAL 99 CO -0.01 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1jr2 n GLY 100 N 1.95 0.38 0.27 4.51 0.00 -1.25 -4.34 105.19 106.71 1jr2 n GLY 100 Ca -0.16 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1jr2 n GLY 100 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jr2 h ASN 101 N 0.00 0.84 -0.58 1.61 2.35 -1.95 -0.23 115.58 117.62 1jr2 h ASN 101 Ca 0.00 -0.32 -0.10 0.00 -0.55 0.00 0.00 56.30 55.33 1jr2 h ASN 101 Cb 0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1jr2 h ASN 101 CO 0.00 1.05 -0.03 0.00 -1.65 0.00 0.00 177.43 176.80 1jr2 h ALA 102 N 1.00 0.79 -0.35 -0.83 0.00 -2.00 -1.82 119.26 116.06 1jr2 h ALA 102 Ca 0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jr2 h ALA 102 Cb 0.78 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1jr2 h ALA 102 CO 0.06 0.65 0.20 1.15 0.00 0.00 0.00 179.25 181.32 1jr2 h THR 103 N 0.94 1.13 -0.67 0.00 2.02 -1.73 -2.83 112.91 111.77 1jr2 h THR 103 Ca 0.16 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 1jr2 h THR 103 Cb 0.59 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1jr2 h THR 103 CO 0.04 0.13 0.24 0.00 0.37 0.00 0.00 175.52 176.29 1jr2 h ALA 104 N 1.07 1.15 0.16 6.16 0.00 -0.85 -0.17 119.26 126.77 1jr2 h ALA 104 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jr2 h ALA 104 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1jr2 h ALA 104 CO -0.02 0.60 -0.08 0.66 0.00 0.00 0.00 179.25 180.41 1jr2 h SER 105 N 0.98 -0.18 -0.37 0.00 4.64 -1.24 -1.40 113.55 115.98 1jr2 h SER 105 Ca 0.22 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1jr2 h SER 105 Cb 0.24 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1jr2 h SER 105 CO -0.01 -0.10 0.17 -0.07 -0.87 0.00 0.00 176.83 175.94 1jr2 h LEU 106 N -0.25 0.53 -0.64 5.97 3.38 -1.19 -1.08 115.31 122.03 1jr2 h LEU 106 Ca -0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1jr2 h LEU 106 Cb 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1jr2 h LEU 106 CO 0.04 0.48 0.32 0.58 0.09 0.00 0.00 178.44 179.95 1jr2 h VAL 107 N 0.59 1.22 -0.61 1.22 2.07 -0.71 -0.91 116.25 119.11 1jr2 h VAL 107 Ca 0.15 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1jr2 h VAL 107 Cb 0.12 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1jr2 h VAL 107 CO -0.02 0.25 0.35 0.28 0.02 0.00 0.00 177.57 178.45 1jr2 h SER 108 N 0.89 0.55 -0.05 0.57 0.02 -0.15 -2.80 113.55 112.56 1jr2 h SER 108 Ca 0.22 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1jr2 h SER 108 Cb 0.09 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jr2 h SER 108 CO -0.03 0.37 0.04 0.11 -1.14 0.00 0.00 176.83 176.18 1jr2 h LYS 109 N 0.68 0.00 -0.65 3.45 1.57 0.00 -2.02 116.57 119.59 1jr2 h LYS 109 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1jr2 h LYS 109 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1jr2 h LYS 109 CO -0.14 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.18 1jr2 n ILE 110 N -4.42 1.93 0.00 1.86 -5.35 -0.87 -4.96 119.36 107.56 1jr2 n ILE 110 Ca -0.02 -1.19 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1jr2 n ILE 110 Cb 0.14 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1jr2 n ILE 110 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jr2 n GLY 111 N 1.08 2.63 3.76 3.28 0.00 -0.76 -5.00 105.19 110.19 1jr2 n GLY 111 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 1jr2 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jr2 s LEU 112 N 0.00 4.08 -1.31 0.99 1.43 -1.19 -4.95 118.68 117.73 1jr2 s LEU 112 Ca 0.00 2.92 -0.15 0.00 -1.03 0.00 0.00 54.13 55.88 1jr2 s LEU 112 Cb 0.00 -3.97 0.10 0.00 0.03 0.00 0.00 46.19 42.36 1jr2 s LEU 112 CO 0.00 -1.24 1.79 0.47 0.23 0.00 0.00 176.35 177.60 1jr2 n ASP 113 N -0.29 4.81 0.00 2.29 9.92 -1.26 -4.60 116.55 127.41 1jr2 n ASP 113 Ca 0.06 -2.95 0.00 0.00 -0.53 0.00 0.00 54.79 51.37 1jr2 n ASP 113 Cb 0.42 -1.65 0.00 0.00 -0.64 0.00 0.00 41.12 39.25 1jr2 n ASP 113 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1jr2 n THR 114 N 5.22 0.00 -4.26 -3.53 -1.04 -1.26 -4.79 114.28 104.61 1jr2 n THR 114 Ca 0.45 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 62.09 1jr2 n THR 114 Cb 0.42 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 1jr2 n THR 114 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jr2 n GLU 115 N 6.11 -2.89 -0.87 -2.82 1.02 -1.26 -4.68 120.64 115.25 1jr2 n GLU 115 Ca 0.00 0.35 0.10 0.00 -0.02 0.00 0.00 57.16 57.59 1jr2 n GLU 115 Cb 0.00 -5.06 -0.03 0.00 -0.02 0.00 0.00 31.44 26.33 1jr2 n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jr2 n GLY 116 N -1.36 -1.16 3.02 0.62 0.00 -1.26 -4.86 105.19 100.18 1jr2 n GLY 116 Ca 0.08 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 1jr2 n GLY 116 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jr2 n GLU 117 N -2.80 -2.42 0.00 1.61 0.28 -1.26 -4.79 120.64 111.26 1jr2 n GLU 117 Ca -0.01 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 56.28 1jr2 n GLU 117 Cb 0.59 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.98 1jr2 n GLU 117 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1jr2 n THR 118 N -4.46 0.00 -3.67 3.84 -1.04 -1.25 -5.00 114.28 102.70 1jr2 n THR 118 Ca 0.06 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.98 1jr2 n THR 118 Cb 0.35 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.77 1jr2 n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jr2 h GLY 120 N 6.82 0.00 -1.53 0.00 0.00 -1.94 -3.31 103.07 103.11 1jr2 h GLY 120 Ca -0.33 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.06 1jr2 h GLY 120 CO 0.23 0.00 0.37 0.54 0.00 0.00 0.00 176.54 177.67 1jr2 s ASN 121 N -6.54 -0.07 0.17 0.19 2.20 -1.26 -4.59 114.94 105.04 1jr2 s ASN 121 Ca -0.01 -0.85 -0.15 0.00 -0.94 0.00 0.00 52.86 50.91 1jr2 s ASN 121 Cb 0.12 0.70 0.13 0.00 -2.00 0.00 0.00 41.25 40.20 1jr2 s ASN 121 CO 0.69 -1.37 1.70 0.00 -2.94 0.00 0.00 177.10 175.18 1jr2 h ALA 122 N 2.00 0.40 -0.73 3.54 0.00 -1.98 -2.00 119.26 120.50 1jr2 h ALA 122 Ca -0.28 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1jr2 h ALA 122 Cb 1.24 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1jr2 h ALA 122 CO 0.34 -0.38 0.40 0.93 0.00 0.00 0.00 179.25 180.54 1jr2 h GLU 123 N 0.13 1.01 -0.03 0.00 3.07 -1.97 0.16 114.58 116.94 1jr2 h GLU 123 Ca 0.21 -0.11 -0.21 0.00 -0.50 0.00 0.00 59.36 58.75 1jr2 h GLU 123 Cb 0.29 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1jr2 h GLU 123 CO -0.33 0.74 -0.85 0.87 -1.40 0.00 0.00 179.01 178.05 1jr2 h LYS 124 N 1.02 0.40 -0.38 2.33 1.79 -1.85 -2.40 116.57 117.47 1jr2 h LYS 124 Ca 0.26 -0.38 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1jr2 h LYS 124 Cb 0.03 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1jr2 h LYS 124 CO -0.04 1.04 0.12 1.25 -1.08 0.00 0.00 179.45 180.74 1jr2 h LEU 125 N 0.24 0.56 -0.73 2.94 5.85 -0.76 -1.59 115.31 121.82 1jr2 h LEU 125 Ca -0.06 -0.20 0.11 0.00 0.84 0.00 0.00 57.88 58.58 1jr2 h LEU 125 Cb 1.46 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 1jr2 h LEU 125 CO 0.14 0.61 0.33 0.00 -0.34 0.00 0.00 178.44 179.18 1jr2 h ALA 126 N 0.97 1.01 -0.54 1.25 0.00 -0.62 1.00 119.26 122.32 1jr2 h ALA 126 Ca 0.12 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1jr2 h ALA 126 Cb 0.25 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jr2 h ALA 126 CO -0.00 -0.13 0.19 0.93 0.00 0.00 0.00 179.25 180.24 1jr2 h GLU 127 N 0.52 0.82 -0.22 0.00 5.08 -1.16 -0.90 114.58 118.73 1jr2 h GLU 127 Ca 0.38 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1jr2 h GLU 127 Cb 0.48 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1jr2 h GLU 127 CO -0.33 0.73 0.12 -0.92 -1.00 0.00 0.00 179.01 177.62 1jr2 h TYR 128 N 0.74 0.30 -0.35 4.33 3.20 -0.48 -1.60 116.97 123.11 1jr2 h TYR 128 Ca 0.18 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1jr2 h TYR 128 Cb 0.24 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1jr2 h TYR 128 CO 0.01 0.27 0.16 0.82 -1.64 0.00 0.00 178.16 177.79 1jr2 h ILE 129 N 0.25 1.17 0.00 1.81 2.04 -0.70 -3.01 117.51 119.07 1jr2 h ILE 129 Ca 0.08 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1jr2 h ILE 129 Cb 0.07 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1jr2 h ILE 129 CO -0.01 0.18 -0.21 0.00 0.00 0.00 0.00 178.15 178.11 1jr2 n SER 131 N -3.43 0.00 -4.47 0.00 3.41 -0.61 -4.82 113.62 103.70 1jr2 n SER 131 Ca -0.00 -0.02 -0.23 0.00 -0.26 0.00 0.00 58.87 58.36 1jr2 n SER 131 Cb 0.40 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 1jr2 n SER 131 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jr2 s ARG 132 N -2.54 1.65 0.66 4.33 0.52 -1.00 -5.10 118.95 117.46 1jr2 s ARG 132 Ca 0.19 -1.81 -0.17 0.00 -0.52 0.00 0.00 55.73 53.41 1jr2 s ARG 132 Cb 0.13 -1.49 -0.00 0.00 0.52 0.00 0.00 34.95 34.10 1jr2 s ARG 132 CO 0.29 0.16 1.24 -1.21 0.02 0.00 0.00 175.30 175.80 1jr2 s GLU 133 N -3.62 2.56 0.29 3.54 2.02 -1.26 -4.99 118.70 117.22 1jr2 s GLU 133 Ca 0.30 1.89 0.10 0.00 0.02 0.00 0.00 54.97 57.28 1jr2 s GLU 133 Cb 0.01 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.31 1jr2 s GLU 133 CO 0.14 -1.55 -0.15 -1.54 0.02 0.00 0.00 175.26 172.18 1jr2 s SER 134 N -1.66 3.41 0.51 -0.19 1.04 -1.26 -5.05 113.70 110.50 1jr2 s SER 134 Ca 0.78 -1.09 -0.21 0.00 0.48 0.00 0.00 55.95 55.91 1jr2 s SER 134 Cb -0.33 -0.28 -0.06 0.00 0.10 0.00 0.00 66.02 65.45 1jr2 s SER 134 CO 0.39 -0.09 1.14 -0.55 0.98 0.00 0.00 173.24 175.11 1jr2 s SER 135 N -3.51 5.90 0.40 7.02 0.15 -1.26 -4.93 113.70 117.47 1jr2 s SER 135 Ca 0.30 2.22 0.28 0.00 0.70 0.00 0.00 55.95 59.45 1jr2 s SER 135 Cb -0.02 -2.59 1.13 0.00 -1.71 0.00 0.00 66.02 62.83 1jr2 s SER 135 CO 0.14 -1.10 1.84 0.00 1.20 0.00 0.00 173.24 175.32 1jr2 h ALA 136 N 1.53 1.00 -2.62 5.45 0.00 -1.99 -3.43 119.26 119.20 1jr2 h ALA 136 Ca -0.50 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 1jr2 h ALA 136 Cb 1.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1jr2 h ALA 136 CO 0.58 0.00 -0.10 -0.51 0.00 0.00 0.00 179.25 179.22 1jr2 s LEU 137 N -5.32 4.37 0.53 0.00 1.43 -1.26 -4.96 118.68 113.47 1jr2 s LEU 137 Ca 0.03 1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 53.99 1jr2 s LEU 137 Cb 0.09 -3.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.12 1jr2 s LEU 137 CO 0.48 0.15 1.19 -2.16 0.23 0.00 0.00 176.35 176.25 1jr2 s PRO 138 N -1.78 3.34 0.17 1.29 0.04 -1.26 -3.01 135.00 133.79 1jr2 s PRO 138 Ca 0.35 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 1jr2 s PRO 138 Cb -0.16 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1jr2 s PRO 138 CO 0.19 -0.90 1.03 -0.51 0.04 0.00 0.00 177.00 176.85 1jr2 s LEU 139 N -3.60 4.52 -0.18 -3.56 1.43 -0.59 -0.13 118.68 116.57 1jr2 s LEU 139 Ca 0.71 1.98 -0.15 0.00 -1.03 0.00 0.00 54.13 55.65 1jr2 s LEU 139 Cb -0.29 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1jr2 s LEU 139 CO 0.34 -0.12 0.33 -0.22 0.23 0.00 0.00 176.35 176.91 1jr2 s LEU 140 N -0.39 4.20 -0.46 1.79 2.96 0.29 0.17 118.68 127.24 1jr2 s LEU 140 Ca 0.47 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 1jr2 s LEU 140 Cb -0.27 -2.42 0.13 0.00 0.50 0.00 0.00 46.19 44.13 1jr2 s LEU 140 CO 0.33 0.03 0.25 0.12 -1.32 0.00 0.00 176.35 175.76 1jr2 s PHE 141 N 0.82 2.25 0.01 5.38 5.36 0.20 -1.05 117.98 130.96 1jr2 s PHE 141 Ca 0.17 -2.60 -0.30 0.00 -0.96 0.00 0.00 56.93 53.24 1jr2 s PHE 141 Cb -0.14 -2.09 -0.06 0.00 -0.34 0.00 0.00 43.02 40.39 1jr2 s PHE 141 CO 0.06 -0.77 1.39 -1.25 -1.46 0.00 0.00 175.22 173.19 1jr2 s PRO 142 N 0.19 4.29 0.01 10.12 0.04 -1.25 -0.56 135.00 147.84 1jr2 s PRO 142 Ca 0.18 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1jr2 s PRO 142 Cb -0.24 -3.54 -0.00 0.00 0.04 0.00 0.00 34.50 30.76 1jr2 s PRO 142 CO -0.00 -0.55 0.01 0.00 0.04 0.00 0.00 177.00 176.50 1jr2 n GLY 144 N -0.02 0.66 3.66 0.00 0.00 -1.26 -0.16 105.19 108.07 1jr2 n GLY 144 Ca 0.00 -1.95 -0.47 0.00 0.00 0.00 0.00 46.02 43.60 1jr2 n GLY 144 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jr2 n ASN 145 N -2.99 2.87 -0.00 1.61 4.05 -1.24 -4.59 115.26 114.96 1jr2 n ASN 145 Ca 0.02 1.09 0.23 0.00 0.45 0.00 0.00 54.58 56.37 1jr2 n ASN 145 Cb 0.07 -1.39 0.72 0.00 1.23 0.00 0.00 39.78 40.41 1jr2 n ASN 145 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1jr2 h LEU 146 N 5.68 0.00 -2.21 1.20 3.38 -1.94 -2.30 115.31 119.12 1jr2 h LEU 146 Ca -0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1jr2 h LEU 146 Cb 1.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1jr2 h LEU 146 CO 0.87 0.00 -0.03 0.11 0.09 0.00 0.00 178.44 179.48 1jr2 h LYS 147 N 0.00 0.00 -0.01 1.13 1.57 -2.05 -2.38 116.57 114.83 1jr2 h LYS 147 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1jr2 h LYS 147 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1jr2 h LYS 147 CO -0.00 0.03 -0.48 -2.13 -0.57 0.00 0.00 179.45 176.30 1jr2 n ARG 148 N -3.25 1.43 -3.29 3.15 0.00 -0.87 -4.94 116.66 108.89 1jr2 n ARG 148 Ca -0.02 -0.72 -0.38 0.00 -0.00 0.00 0.00 57.85 56.73 1jr2 n ARG 148 Cb 0.19 -1.35 -0.06 0.00 0.00 0.00 0.00 32.46 31.24 1jr2 n ARG 148 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1jr2 s GLU 149 N -2.24 4.30 -0.01 -0.14 0.41 -0.90 -4.94 118.70 115.18 1jr2 s GLU 149 Ca 0.14 0.54 0.13 0.00 -0.41 0.00 0.00 54.97 55.37 1jr2 s GLU 149 Cb 0.15 -3.39 -0.17 0.00 -1.78 0.00 0.00 34.13 28.93 1jr2 s GLU 149 CO 0.52 0.26 0.42 0.44 -0.49 0.00 0.00 175.26 176.41 1jr2 n ILE 150 N 3.27 0.00 -0.30 -1.63 -5.35 -1.26 -4.63 119.36 109.46 1jr2 n ILE 150 Ca -0.07 -0.25 -0.05 0.00 -0.27 0.00 0.00 62.75 62.11 1jr2 n ILE 150 Cb 0.52 0.61 0.07 0.00 -1.74 0.00 0.00 39.64 39.10 1jr2 n ILE 150 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1jr2 h LEU 151 N 0.00 1.07 -0.84 7.28 -0.00 -1.92 -2.24 115.31 118.66 1jr2 h LEU 151 Ca 0.00 -0.14 0.07 0.00 -0.00 0.00 0.00 57.88 57.81 1jr2 h LEU 151 Cb 0.45 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 40.77 1jr2 h LEU 151 CO 0.00 0.91 0.51 -0.65 -0.00 0.00 0.00 178.44 179.21 1jr2 h PRO 152 N 1.16 0.90 0.09 1.13 0.11 -1.98 -1.30 132.00 132.11 1jr2 h PRO 152 Ca 0.28 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 66.07 1jr2 h PRO 152 Cb 0.12 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1jr2 h PRO 152 CO -0.03 0.59 -1.25 0.87 -0.21 0.00 0.00 178.00 177.97 1jr2 h LYS 153 N 0.93 0.20 -0.40 1.05 6.56 -1.85 -2.62 116.57 120.43 1jr2 h LYS 153 Ca 0.37 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1jr2 h LYS 153 Cb 0.20 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.96 1jr2 h LYS 153 CO -0.18 1.13 0.26 0.00 -2.06 0.00 0.00 179.45 178.60 1jr2 h ALA 154 N 0.68 0.50 -0.19 3.86 0.00 -1.07 -1.13 119.26 121.91 1jr2 h ALA 154 Ca -0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1jr2 h ALA 154 Cb 1.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1jr2 h ALA 154 CO 0.18 -0.04 -0.42 -0.07 0.00 0.00 0.00 179.25 178.89 1jr2 h LEU 155 N 0.54 0.71 -1.14 0.00 3.38 -1.34 -3.24 115.31 114.21 1jr2 h LEU 155 Ca 0.15 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 1jr2 h LEU 155 Cb -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1jr2 h LEU 155 CO -0.03 1.14 0.12 0.11 0.09 0.00 0.00 178.44 179.86 1jr2 h LYS 156 N 0.31 0.72 0.00 1.13 1.57 -1.37 -0.18 116.57 118.75 1jr2 h LYS 156 Ca 0.00 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1jr2 h LYS 156 Cb 1.03 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1jr2 h LYS 156 CO 0.09 0.66 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.16 1jr2 h ASP 157 N 0.70 0.00 -0.46 0.86 3.32 -1.24 -1.25 116.42 118.35 1jr2 h ASP 157 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1jr2 h ASP 157 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1jr2 h ASP 157 CO -0.00 0.03 0.00 0.29 -1.72 0.00 0.00 179.24 177.83 1jr2 n LYS 158 N -3.71 3.52 -1.09 3.56 4.76 -0.67 -4.97 118.16 119.56 1jr2 n LYS 158 Ca -0.03 -2.78 -0.03 0.00 -2.87 0.00 0.00 58.31 52.60 1jr2 n LYS 158 Cb 0.12 -1.83 -0.01 0.00 -1.84 0.00 0.00 35.03 31.46 1jr2 n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jr2 n GLY 159 N 0.41 0.63 3.70 0.72 0.00 -0.47 -5.02 105.19 105.16 1jr2 n GLY 159 Ca 0.22 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1jr2 n GLY 159 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jr2 s ILE 160 N -2.06 5.11 0.14 -0.61 1.01 -0.17 -4.98 121.20 119.65 1jr2 s ILE 160 Ca 0.00 1.13 -0.31 0.00 0.00 0.00 0.00 60.65 61.48 1jr2 s ILE 160 Cb 0.00 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 1jr2 s ILE 160 CO 0.00 0.25 1.33 0.00 0.00 0.00 0.00 174.94 176.52 1jr2 s ALA 161 N 1.02 3.54 -0.03 9.38 0.00 -1.26 -4.09 121.76 130.31 1jr2 s ALA 161 Ca 0.30 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 53.09 1jr2 s ALA 161 Cb -0.16 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.51 1jr2 s ALA 161 CO 0.12 -0.56 0.54 1.41 0.00 0.00 0.00 175.76 177.28 1jr2 s MET 162 N 0.59 0.91 -0.14 0.00 0.00 -1.26 -1.55 119.30 117.86 1jr2 s MET 162 Ca 0.60 0.08 -0.01 0.00 0.00 0.00 0.00 55.69 56.37 1jr2 s MET 162 Cb -0.36 0.42 0.03 0.00 0.00 0.00 0.00 34.83 34.93 1jr2 s MET 162 CO 0.33 -0.28 -0.05 -2.00 0.00 0.00 0.00 175.02 173.03 1jr2 s GLU 163 N -1.27 1.35 0.08 4.11 2.12 0.13 -4.82 118.70 120.40 1jr2 s GLU 163 Ca -0.12 -0.35 -0.12 0.00 0.36 0.00 0.00 54.97 54.74 1jr2 s GLU 163 Cb -0.02 -1.75 -0.06 0.00 0.26 0.00 0.00 34.13 32.56 1jr2 s GLU 163 CO 0.08 -0.37 0.45 -1.12 -0.54 0.00 0.00 175.26 173.75 1jr2 s SER 164 N 1.71 6.73 -0.11 -1.70 0.01 -1.26 -0.63 113.70 118.45 1jr2 s SER 164 Ca 0.03 0.91 -0.02 0.00 1.31 0.00 0.00 55.95 58.18 1jr2 s SER 164 Cb -0.14 -2.23 0.04 0.00 0.21 0.00 0.00 66.02 63.90 1jr2 s SER 164 CO -0.08 0.19 0.01 -0.51 0.41 0.00 0.00 173.24 173.27 1jr2 s ILE 165 N -1.34 0.40 -0.25 1.44 2.07 0.28 -4.90 121.20 118.90 1jr2 s ILE 165 Ca 0.32 -0.08 -0.29 0.00 -1.41 0.00 0.00 60.65 59.19 1jr2 s ILE 165 Cb -0.15 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.75 1jr2 s ILE 165 CO 0.17 0.11 1.52 -0.89 -1.91 0.00 0.00 174.94 173.95 1jr2 s THR 166 N 1.95 3.83 -0.47 4.00 2.01 -1.26 0.67 115.64 126.36 1jr2 s THR 166 Ca 0.03 0.93 0.05 0.00 0.31 0.00 0.00 61.69 63.01 1jr2 s THR 166 Cb -0.14 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 1jr2 s THR 166 CO -0.06 -0.36 0.44 1.33 -0.69 0.00 0.00 174.62 175.27 1jr2 n VAL 167 N 6.39 0.00 -3.71 3.82 0.24 0.78 -4.49 118.33 121.35 1jr2 n VAL 167 Ca 0.18 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 1jr2 n VAL 167 Cb 0.46 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 1jr2 n VAL 167 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 1jr2 s TYR 168 N -1.02 -0.18 0.00 6.34 -0.85 -1.16 -0.82 117.35 119.66 1jr2 s TYR 168 Ca 0.04 0.10 0.01 0.00 -0.52 0.00 0.00 57.07 56.69 1jr2 s TYR 168 Cb 0.04 0.15 -0.00 0.00 0.38 0.00 0.00 41.96 42.53 1jr2 s TYR 168 CO 0.15 -0.53 -0.02 1.14 -1.52 0.00 0.00 175.55 174.76 1jr2 s GLN 169 N -2.49 0.17 0.09 -3.49 -2.07 -0.23 -3.64 119.66 107.99 1jr2 s GLN 169 Ca -0.05 -0.11 -0.26 0.00 -1.82 0.00 0.00 55.36 53.12 1jr2 s GLN 169 Cb -0.01 -0.14 -0.06 0.00 -1.09 0.00 0.00 33.01 31.71 1jr2 s GLN 169 CO -0.03 0.04 0.80 0.99 -1.32 0.00 0.00 175.29 175.76 1jr2 s THR 170 N -0.15 4.59 0.08 3.63 2.01 -1.26 -2.01 115.64 122.53 1jr2 s THR 170 Ca -0.00 1.71 0.01 0.00 0.31 0.00 0.00 61.69 63.72 1jr2 s THR 170 Cb -0.01 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1jr2 s THR 170 CO -0.00 0.41 -0.05 0.68 -0.69 0.00 0.00 174.62 174.96 1jr2 s VAL 171 N -0.38 0.52 0.27 3.82 -7.23 -0.32 -4.99 120.40 112.08 1jr2 s VAL 171 Ca 0.39 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1jr2 s VAL 171 Cb -0.22 -1.58 -0.13 0.00 0.56 0.00 0.00 36.38 35.01 1jr2 s VAL 171 CO 0.25 -0.90 1.39 0.00 -0.31 0.00 0.00 175.10 175.53 1jr2 n ALA 172 N 0.07 1.22 -1.83 1.32 0.00 -1.26 -0.81 120.51 119.23 1jr2 n ALA 172 Ca -0.13 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1jr2 n ALA 172 Cb 0.61 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 1jr2 n ALA 172 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jr2 s HIS 173 N -0.29 1.99 -1.34 0.00 2.46 0.23 -4.54 115.29 113.80 1jr2 s HIS 173 Ca 0.65 0.02 0.16 0.00 0.47 0.00 0.00 55.06 56.37 1jr2 s HIS 173 Cb -0.62 -4.07 0.80 0.00 -0.13 0.00 0.00 32.58 28.55 1jr2 s HIS 173 CO 0.52 -4.51 1.48 -0.35 -2.47 0.00 0.00 174.74 169.41 1jr2 n PRO 174 N 6.40 0.19 0.00 2.88 -0.04 -1.26 -2.42 135.00 140.75 1jr2 n PRO 174 Ca 0.18 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 1jr2 n PRO 174 Cb 0.41 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.80 1jr2 n PRO 174 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jr2 n GLY 175 N 0.11 -0.01 0.17 0.55 0.00 -1.26 -4.62 105.19 100.13 1jr2 n GLY 175 Ca 0.07 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 1jr2 n GLY 175 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jr2 h ILE 176 N 2.40 0.63 -0.31 -0.61 2.04 -1.76 0.27 117.51 120.16 1jr2 h ILE 176 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jr2 h ILE 176 Cb 0.56 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1jr2 h ILE 176 CO 0.00 0.00 0.18 -0.61 0.00 0.00 0.00 178.15 177.72 1jr2 h GLN 177 N -0.07 0.43 -0.40 2.37 4.15 -1.86 -0.63 115.11 119.10 1jr2 h GLN 177 Ca 0.14 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 1jr2 h GLN 177 Cb 0.28 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1jr2 h GLN 177 CO -0.32 0.35 -0.11 0.78 -1.93 0.00 0.00 178.83 177.61 1jr2 h GLY 178 N 0.39 0.85 1.00 2.39 0.00 -1.74 0.20 103.07 106.16 1jr2 h GLY 178 Ca 0.11 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 1jr2 h GLY 178 CO -0.02 0.65 0.17 3.43 0.00 0.00 0.00 176.54 180.77 1jr2 h ASN 179 N 0.60 0.86 -0.49 0.19 2.35 -0.36 0.26 115.58 119.00 1jr2 h ASN 179 Ca 0.10 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 1jr2 h ASN 179 Cb 0.64 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1jr2 h ASN 179 CO 0.04 0.85 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.51 1jr2 h LEU 180 N 0.83 0.95 0.02 1.61 3.38 -0.97 -1.43 115.31 119.70 1jr2 h LEU 180 Ca 0.19 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1jr2 h LEU 180 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1jr2 h LEU 180 CO -0.00 1.06 -0.13 -1.13 0.09 0.00 0.00 178.44 178.32 1jr2 h ASN 181 N 0.86 -0.39 -0.42 -0.43 -0.00 -0.64 -1.37 115.58 113.20 1jr2 h ASN 181 Ca 0.14 0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 1jr2 h ASN 181 Cb 0.63 0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 39.09 1jr2 h ASN 181 CO 0.04 -0.19 0.27 -1.28 -0.00 0.00 0.00 177.43 176.27 1jr2 h SER 182 N -0.24 0.49 0.16 1.15 0.87 -0.76 -0.33 113.55 114.89 1jr2 h SER 182 Ca 0.04 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1jr2 h SER 182 Cb 0.29 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1jr2 h SER 182 CO -0.12 0.37 -0.13 0.22 -0.53 0.00 0.00 176.83 176.65 1jr2 h TYR 183 N 0.57 -0.32 -0.52 2.24 3.20 -0.98 -0.37 116.97 120.79 1jr2 h TYR 183 Ca 0.15 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1jr2 h TYR 183 Cb -0.05 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1jr2 h TYR 183 CO -0.04 -0.19 0.04 1.88 -1.64 0.00 0.00 178.16 178.20 1jr2 h TYR 184 N -0.29 0.90 -0.31 -3.82 -1.99 -1.19 0.28 116.97 110.55 1jr2 h TYR 184 Ca -0.01 -0.12 -0.10 0.00 2.00 0.00 0.00 58.73 60.51 1jr2 h TYR 184 Cb 0.27 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1jr2 h TYR 184 CO -0.11 0.81 -0.21 0.77 -0.00 0.00 0.00 178.16 179.42 1jr2 h SER 185 N 0.80 0.59 0.28 3.88 0.02 -0.66 -0.86 113.55 117.60 1jr2 h SER 185 Ca 0.16 -0.19 -0.34 0.00 -0.84 0.00 0.00 61.79 60.58 1jr2 h SER 185 Cb 0.43 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1jr2 h SER 185 CO 0.02 0.80 -1.77 1.56 -1.14 0.00 0.00 176.83 176.29 1jr2 h GLN 186 N 0.52 0.26 0.00 3.45 4.20 -0.80 -3.42 115.11 119.32 1jr2 h GLN 186 Ca 0.08 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 1jr2 h GLN 186 Cb 0.65 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1jr2 h GLN 186 CO 0.05 1.12 -1.52 1.04 -0.67 0.00 0.00 178.83 178.84 1jr2 n GLN 187 N -3.44 0.69 0.00 1.46 3.00 0.97 -5.10 117.38 114.96 1jr2 n GLN 187 Ca -0.24 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 1jr2 n GLN 187 Cb 1.05 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 30.04 1jr2 n GLN 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jr2 n GLY 188 N 1.98 -2.45 3.72 1.08 0.00 -0.33 -4.85 105.19 104.34 1jr2 n GLY 188 Ca -0.04 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1jr2 n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jr2 s VAL 189 N -0.47 3.14 0.58 1.61 1.01 -1.26 -4.45 120.40 120.56 1jr2 s VAL 189 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.64 1jr2 s VAL 189 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1jr2 s VAL 189 CO 0.00 0.07 1.05 -2.16 0.00 0.00 0.00 175.10 174.06 1jr2 s PRO 190 N 1.05 3.40 0.31 2.72 0.04 -1.26 -4.96 135.00 136.30 1jr2 s PRO 190 Ca 0.65 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.96 1jr2 s PRO 190 Cb -0.38 -2.04 0.50 0.00 0.04 0.00 0.00 34.50 32.61 1jr2 s PRO 190 CO 0.31 -0.74 1.76 0.00 0.04 0.00 0.00 177.00 178.37 1jr2 h ALA 191 N 0.60 1.19 -2.92 8.56 0.00 -1.25 -3.42 119.26 122.02 1jr2 h ALA 191 Ca -0.47 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 53.97 1jr2 h ALA 191 Cb 1.22 -0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.66 1jr2 h ALA 191 CO 0.58 0.52 -0.35 0.45 0.00 0.00 0.00 179.25 180.45 1jr2 s SER 192 N -6.83 -0.29 -0.08 0.00 0.15 -1.21 -0.81 113.70 104.64 1jr2 s SER 192 Ca -0.06 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.12 1jr2 s SER 192 Cb 0.14 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 65.02 1jr2 s SER 192 CO 0.77 -0.17 -0.17 -0.63 1.20 0.00 0.00 173.24 174.25 1jr2 s ILE 193 N -0.11 1.53 -0.15 6.45 1.01 -0.90 -0.63 121.20 128.40 1jr2 s ILE 193 Ca -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 1jr2 s ILE 193 Cb -0.03 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 1jr2 s ILE 193 CO 0.01 0.44 -0.07 -0.89 0.00 0.00 0.00 174.94 174.44 1jr2 s THR 194 N 0.53 3.62 -0.02 2.92 2.01 0.06 -0.66 115.64 124.11 1jr2 s THR 194 Ca -0.16 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 1jr2 s THR 194 Cb -0.17 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1jr2 s THR 194 CO 0.06 0.50 0.18 -0.36 -0.69 0.00 0.00 174.62 174.31 1jr2 s PHE 195 N 0.39 3.55 -0.69 4.92 0.40 -0.08 -1.32 117.98 125.15 1jr2 s PHE 195 Ca -0.06 0.37 0.09 0.00 -0.60 0.00 0.00 56.93 56.73 1jr2 s PHE 195 Cb -0.15 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 1jr2 s PHE 195 CO 0.04 0.66 0.52 1.19 0.70 0.00 0.00 175.22 178.32 1jr2 n PHE 196 N 1.04 0.00 -3.48 0.36 3.01 -1.19 -1.73 117.46 115.47 1jr2 n PHE 196 Ca -0.12 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.23 1jr2 n PHE 196 Cb 0.53 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 1jr2 n PHE 196 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1jr2 s SER 197 N -1.46 -0.48 0.34 4.37 1.04 -1.26 -4.85 113.70 111.40 1jr2 s SER 197 Ca 0.06 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.64 1jr2 s SER 197 Cb 0.07 0.48 0.66 0.00 0.10 0.00 0.00 66.02 67.33 1jr2 s SER 197 CO 0.27 -0.74 1.94 -0.65 0.98 0.00 0.00 173.24 175.04 1jr2 h PRO 198 N 2.16 0.83 -0.40 4.02 0.11 -1.87 -2.59 132.00 134.26 1jr2 h PRO 198 Ca -0.27 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.80 1jr2 h PRO 198 Cb 1.25 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1jr2 h PRO 198 CO 0.35 0.55 0.24 0.77 -0.21 0.00 0.00 178.00 179.70 1jr2 h SER 199 N 0.86 0.39 -0.77 -2.05 0.02 -1.99 0.04 113.55 110.06 1jr2 h SER 199 Ca 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1jr2 h SER 199 Cb 0.22 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1jr2 h SER 199 CO -0.12 0.28 0.44 1.23 -1.14 0.00 0.00 176.83 177.53 1jr2 h GLY 200 N 0.49 1.13 0.97 -3.77 0.00 -1.86 -0.68 103.07 99.35 1jr2 h GLY 200 Ca 0.15 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1jr2 h GLY 200 CO -0.06 0.48 0.16 -2.00 0.00 0.00 0.00 176.54 175.11 1jr2 h LEU 201 N 1.06 0.26 -0.94 3.11 5.85 -1.07 -2.34 115.31 121.24 1jr2 h LEU 201 Ca 0.27 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.05 1jr2 h LEU 201 Cb 0.01 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 1jr2 h LEU 201 CO -0.05 0.19 0.60 0.74 -0.34 0.00 0.00 178.44 179.58 1jr2 h THR 202 N 0.32 1.07 0.00 1.05 2.02 -0.27 0.53 112.91 117.62 1jr2 h THR 202 Ca 0.09 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1jr2 h THR 202 Cb -0.02 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.27 1jr2 h THR 202 CO -0.03 0.20 -0.13 -1.22 0.37 0.00 0.00 175.52 174.71 1jr2 n TYR 203 N -4.55 0.19 0.00 3.16 0.53 -0.33 -4.14 117.16 112.02 1jr2 n TYR 203 Ca 0.14 0.06 0.00 0.00 -1.02 0.00 0.00 57.90 57.08 1jr2 n TYR 203 Cb 0.18 -0.54 0.00 0.00 -1.03 0.00 0.00 39.34 37.95 1jr2 n TYR 203 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1jr2 n SER 204 N -1.67 1.68 -0.09 7.72 3.41 -0.90 -4.85 113.62 118.92 1jr2 n SER 204 Ca 0.06 -0.16 -0.10 0.00 -0.26 0.00 0.00 58.87 58.41 1jr2 n SER 204 Cb 0.36 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 64.94 1jr2 n SER 204 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1jr2 h LEU 205 N 0.00 0.42 -0.58 1.04 5.85 -1.06 -1.75 115.31 119.23 1jr2 h LEU 205 Ca 0.00 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.59 1jr2 h LEU 205 Cb 0.00 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1jr2 h LEU 205 CO 0.00 0.50 0.28 0.11 -0.34 0.00 0.00 178.44 179.00 1jr2 h LYS 206 N 0.31 0.52 -0.40 1.25 1.57 -1.83 -0.13 116.57 117.85 1jr2 h LYS 206 Ca 0.09 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1jr2 h LYS 206 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1jr2 h LYS 206 CO -0.00 0.34 -0.06 0.45 -0.57 0.00 0.00 179.45 179.60 1jr2 h HIS 207 N 0.53 0.73 -0.60 -1.35 3.86 -1.83 -1.43 115.15 115.07 1jr2 h HIS 207 Ca 0.27 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1jr2 h HIS 207 Cb 0.22 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1jr2 h HIS 207 CO -0.11 0.73 0.13 0.82 0.86 0.00 0.00 177.93 180.36 1jr2 h ILE 208 N 0.63 1.25 -0.02 2.45 2.04 -0.57 -1.77 117.51 121.53 1jr2 h ILE 208 Ca 0.12 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.06 1jr2 h ILE 208 Cb 0.49 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1jr2 h ILE 208 CO 0.03 0.35 -0.07 1.56 0.00 0.00 0.00 178.15 180.01 1jr2 h GLN 209 N 0.87 -0.11 -0.53 2.37 4.20 -0.49 -0.26 115.11 121.16 1jr2 h GLN 209 Ca 0.19 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1jr2 h GLN 209 Cb 0.37 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1jr2 h GLN 209 CO 0.00 -0.07 0.33 0.93 -0.67 0.00 0.00 178.83 179.35 1jr2 h GLU 210 N -0.12 0.72 -0.06 1.46 5.08 -1.16 -1.13 114.58 119.37 1jr2 h GLU 210 Ca 0.04 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1jr2 h GLU 210 Cb 0.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1jr2 h GLU 210 CO -0.09 0.51 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.81 1jr2 h LEU 211 N 0.72 0.21 0.00 1.33 3.38 -1.18 -3.21 115.31 116.56 1jr2 h LEU 211 Ca 0.19 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1jr2 h LEU 211 Cb -0.03 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1jr2 h LEU 211 CO -0.04 0.72 -1.19 0.28 0.09 0.00 0.00 178.44 178.30 1jr2 h SER 212 N 0.15 0.00 0.00 -0.43 0.02 -0.85 -3.49 113.55 108.95 1jr2 h SER 212 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jr2 h SER 212 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1jr2 h SER 212 CO 0.08 0.92 0.00 0.61 -1.14 0.00 0.00 176.83 177.30 1jr2 n GLY 213 N 1.40 3.48 0.21 -3.77 0.00 -0.44 -1.08 105.19 104.98 1jr2 n GLY 213 Ca -0.06 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1jr2 n GLY 213 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jr2 n ASP 214 N 4.58 0.73 -0.24 1.61 2.03 -1.26 -3.53 116.55 120.46 1jr2 n ASP 214 Ca 0.00 -0.92 0.10 0.00 0.52 0.00 0.00 54.79 54.49 1jr2 n ASP 214 Cb 0.00 -0.01 0.49 0.00 -0.72 0.00 0.00 41.12 40.88 1jr2 n ASP 214 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1jr2 n ASN 215 N -0.63 0.74 0.15 1.67 5.03 -0.24 -4.02 115.26 117.95 1jr2 n ASN 215 Ca 0.17 -1.53 0.04 0.00 0.87 0.00 0.00 54.58 54.13 1jr2 n ASN 215 Cb 0.28 -0.04 0.45 0.00 -1.02 0.00 0.00 39.78 39.44 1jr2 n ASN 215 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1jr2 h ILE 216 N 1.00 1.14 0.00 2.41 2.10 -1.66 -1.34 117.51 121.16 1jr2 h ILE 216 Ca 0.00 -0.63 0.00 0.00 1.08 0.00 0.00 64.86 65.31 1jr2 h ILE 216 Cb 0.22 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 1jr2 h ILE 216 CO 0.00 0.19 0.00 0.44 -1.08 0.00 0.00 178.15 177.70 1jr2 h ASP 217 N 0.17 0.00 0.36 2.19 3.32 -1.88 -2.08 116.42 118.49 1jr2 h ASP 217 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1jr2 h ASP 217 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1jr2 h ASP 217 CO 0.02 0.00 -0.90 0.00 -1.72 0.00 0.00 179.24 176.64 1jr2 n GLN 218 N -2.40 0.16 -2.55 3.56 6.02 -0.50 -4.89 117.38 116.78 1jr2 n GLN 218 Ca -0.00 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1jr2 n GLN 218 Cb 0.14 -1.55 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 1jr2 n GLN 218 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1jr2 s ILE 219 N -3.11 4.23 -0.53 5.09 1.01 -0.78 -4.91 121.20 122.19 1jr2 s ILE 219 Ca 0.06 1.70 -0.23 0.00 0.00 0.00 0.00 60.65 62.19 1jr2 s ILE 219 Cb 0.15 -4.09 0.05 0.00 0.01 0.00 0.00 42.46 38.58 1jr2 s ILE 219 CO 0.79 0.19 0.85 -0.54 0.00 0.00 0.00 174.94 176.23 1jr2 s LYS 220 N 0.53 3.27 0.16 2.79 -0.14 0.01 -4.95 119.74 121.42 1jr2 s LYS 220 Ca 0.53 -0.44 -0.30 0.00 -1.36 0.00 0.00 55.97 54.41 1jr2 s LYS 220 Cb -0.27 -4.06 -0.07 0.00 -1.68 0.00 0.00 37.83 31.75 1jr2 s LYS 220 CO 0.31 -1.40 0.96 -0.06 -0.76 0.00 0.00 175.35 174.40 1jr2 s PHE 221 N 3.55 3.88 0.07 3.18 0.40 -1.26 -2.12 117.98 125.68 1jr2 s PHE 221 Ca 0.26 1.84 0.07 0.00 -0.60 0.00 0.00 56.93 58.51 1jr2 s PHE 221 Cb -0.14 -3.03 -0.03 0.00 0.51 0.00 0.00 43.02 40.33 1jr2 s PHE 221 CO 0.17 0.29 -0.19 0.00 0.70 0.00 0.00 175.22 176.19 1jr2 s ALA 222 N -0.48 1.64 0.02 5.36 0.00 0.17 0.25 121.76 128.73 1jr2 s ALA 222 Ca 0.45 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 51.39 1jr2 s ALA 222 Cb -0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1jr2 s ALA 222 CO 0.31 0.34 -0.23 0.00 0.00 0.00 0.00 175.76 176.18 1jr2 s ALA 223 N -0.99 1.94 -0.09 0.00 0.00 -0.15 -0.90 121.76 121.57 1jr2 s ALA 223 Ca 0.05 -1.09 0.30 0.00 0.00 0.00 0.00 51.96 51.23 1jr2 s ALA 223 Cb -0.09 -0.43 1.17 0.00 0.00 0.00 0.00 23.12 23.77 1jr2 s ALA 223 CO 0.03 0.46 1.89 0.97 0.00 0.00 0.00 175.76 179.10 1jr2 h ILE 224 N 4.40 0.00 -2.20 0.00 6.09 -1.65 -0.24 117.51 123.90 1jr2 h ILE 224 Ca -0.43 -0.52 0.17 0.00 -1.37 0.00 0.00 64.86 62.71 1jr2 h ILE 224 Cb 1.14 1.47 -0.11 0.00 0.47 0.00 0.00 36.82 39.79 1jr2 h ILE 224 CO 0.45 0.00 0.53 -0.83 -3.07 0.00 0.00 178.15 175.23 1jr2 s GLY 225 N -4.05 -0.33 0.34 8.18 0.00 -1.26 -4.04 107.32 106.16 1jr2 s GLY 225 Ca 0.03 0.54 0.07 0.00 0.00 0.00 0.00 44.72 45.36 1jr2 s GLY 225 CO 0.53 0.15 1.88 -2.55 0.00 0.00 0.00 173.10 173.11 1jr2 h PRO 226 N 2.00 0.74 -0.39 2.90 0.11 -1.90 -0.79 132.00 134.66 1jr2 h PRO 226 Ca -0.23 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1jr2 h PRO 226 Cb 1.23 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1jr2 h PRO 226 CO 0.27 0.49 0.18 1.15 -0.21 0.00 0.00 178.00 179.88 1jr2 h THR 227 N 0.76 1.18 -0.38 -1.15 2.02 -1.98 0.29 112.91 113.65 1jr2 h THR 227 Ca 0.44 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1jr2 h THR 227 Cb 0.61 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1jr2 h THR 227 CO -0.20 0.20 0.15 0.74 0.37 0.00 0.00 175.52 176.78 1jr2 h THR 228 N 0.49 1.19 -0.42 3.16 2.02 -1.75 -1.61 112.91 116.00 1jr2 h THR 228 Ca 0.13 -0.58 0.08 0.00 0.77 0.00 0.00 66.41 66.81 1jr2 h THR 228 Cb 0.15 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 67.36 1jr2 h THR 228 CO -0.01 0.21 -0.01 0.00 0.37 0.00 0.00 175.52 176.07 1jr2 h ALA 229 N 1.00 0.37 -0.62 6.16 0.00 -0.76 0.78 119.26 126.19 1jr2 h ALA 229 Ca 0.13 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1jr2 h ALA 229 Cb 0.18 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1jr2 h ALA 229 CO -0.01 -0.40 0.41 0.00 0.00 0.00 0.00 179.25 179.25 1jr2 h ARG 230 N 0.09 0.82 -0.43 0.00 3.08 -0.18 -0.12 114.38 117.64 1jr2 h ARG 230 Ca 0.21 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 1jr2 h ARG 230 Cb 0.30 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1jr2 h ARG 230 CO -0.35 0.54 -0.13 0.00 -1.07 0.00 0.00 179.97 178.96 1jr2 h ALA 231 N 1.61 0.60 -0.03 0.04 0.00 -0.25 -1.40 119.26 119.82 1jr2 h ALA 231 Ca 0.23 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1jr2 h ALA 231 Cb -0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1jr2 h ALA 231 CO -0.05 0.50 -0.29 -0.07 0.00 0.00 0.00 179.25 179.35 1jr2 h LEU 232 N 0.68 -0.86 -0.64 0.00 3.38 -0.14 -2.65 115.31 115.07 1jr2 h LEU 232 Ca 0.11 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1jr2 h LEU 232 Cb 0.68 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 1jr2 h LEU 232 CO 0.05 -0.35 0.25 0.00 0.09 0.00 0.00 178.44 178.48 1jr2 h ALA 233 N 0.39 0.84 -0.35 1.53 0.00 -0.94 -1.26 119.26 119.46 1jr2 h ALA 233 Ca 0.07 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1jr2 h ALA 233 Cb 0.52 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1jr2 h ALA 233 CO -0.27 -0.18 0.25 0.00 0.00 0.00 0.00 179.25 179.05 1jr2 h ALA 234 N 1.43 2.30 -0.04 0.00 0.00 -0.92 0.83 119.26 122.86 1jr2 h ALA 234 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1jr2 h ALA 234 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jr2 h ALA 234 CO -0.32 -0.39 0.00 1.04 0.00 0.00 0.00 179.25 179.58 1jr2 n GLN 235 N -4.44 1.63 -2.18 0.00 1.13 -0.55 -4.94 117.38 108.02 1jr2 n GLN 235 Ca 0.05 -0.92 -0.05 0.00 -1.94 0.00 0.00 57.00 54.14 1jr2 n GLN 235 Cb 0.41 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1jr2 n GLN 235 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jr2 n GLY 236 N 1.15 0.23 3.85 1.08 0.00 0.29 -5.04 105.19 106.76 1jr2 n GLY 236 Ca 0.19 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1jr2 n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jr2 s LEU 237 N -1.51 4.35 0.26 0.99 2.01 -0.73 -4.99 118.68 119.06 1jr2 s LEU 237 Ca 0.02 0.43 -0.29 0.00 0.01 0.00 0.00 54.13 54.29 1jr2 s LEU 237 Cb -0.01 -2.07 -0.09 0.00 0.01 0.00 0.00 46.19 44.03 1jr2 s LEU 237 CO 0.02 0.37 1.19 -2.16 1.01 0.00 0.00 176.35 176.78 1jr2 s PRO 238 N -0.80 4.52 -0.39 1.29 0.04 -1.26 -3.87 135.00 134.53 1jr2 s PRO 238 Ca 0.14 1.93 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 1jr2 s PRO 238 Cb -0.12 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1jr2 s PRO 238 CO 0.03 0.01 0.36 0.08 0.04 0.00 0.00 177.00 177.53 1jr2 s VAL 239 N -0.78 5.17 -0.35 -0.36 1.01 -1.26 -4.46 120.40 119.37 1jr2 s VAL 239 Ca 0.48 -0.34 0.21 0.00 0.00 0.00 0.00 61.98 62.33 1jr2 s VAL 239 Cb -0.34 -3.93 0.25 0.00 0.00 0.00 0.00 36.38 32.36 1jr2 s VAL 239 CO 0.42 -0.28 1.54 0.28 0.00 0.00 0.00 175.10 177.06 1jr2 h SER 240 N 8.62 0.00 -3.27 3.32 0.02 -0.55 -3.46 113.55 118.23 1jr2 h SER 240 Ca -0.28 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1jr2 h SER 240 Cb 1.12 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.44 1jr2 h SER 240 CO 0.74 0.14 0.13 0.00 -1.14 0.00 0.00 176.83 176.70 1jr2 s THR 242 N 1.11 1.54 0.28 0.00 2.01 -1.26 -0.98 115.64 118.35 1jr2 s THR 242 Ca -0.06 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 1jr2 s THR 242 Cb -0.05 -1.50 -0.13 0.00 0.01 0.00 0.00 72.50 70.83 1jr2 s THR 242 CO -0.12 0.38 1.32 0.00 -0.69 0.00 0.00 174.62 175.51 1jr2 n ALA 243 N 4.77 0.98 0.21 7.40 0.00 -0.10 -4.85 120.51 128.91 1jr2 n ALA 243 Ca -0.16 0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.72 1jr2 n ALA 243 Cb 0.49 -2.23 0.45 0.00 0.00 0.00 0.00 19.45 18.16 1jr2 n ALA 243 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1jr2 h GLU 244 N 3.41 0.00 -3.55 0.00 5.08 -1.87 -3.42 114.58 114.24 1jr2 h GLU 244 Ca -0.45 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 1jr2 h GLU 244 Cb 1.29 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.37 1jr2 h GLU 244 CO 0.70 0.28 -0.36 -1.54 -1.00 0.00 0.00 179.01 177.09 1jr2 s SER 245 N -6.80 0.01 -1.40 1.42 1.04 -1.26 -5.07 113.70 101.64 1jr2 s SER 245 Ca -0.03 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.87 1jr2 s SER 245 Cb 0.14 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1jr2 s SER 245 CO 0.69 -0.60 2.04 -2.65 0.98 0.00 0.00 173.24 173.70 1jr2 n PRO 246 N 0.53 3.00 -4.11 4.02 -0.02 -1.26 -4.44 135.00 132.72 1jr2 n PRO 246 Ca -0.18 -2.88 -0.09 0.00 -2.02 0.00 0.00 63.50 58.33 1jr2 n PRO 246 Cb 0.60 -3.35 -0.10 0.00 -0.02 0.00 0.00 33.50 30.62 1jr2 n PRO 246 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jr2 s THR 247 N 3.47 0.44 0.26 3.45 -4.23 -1.26 -5.05 115.64 112.72 1jr2 s THR 247 Ca 0.49 -1.72 -0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1jr2 s THR 247 Cb 0.10 -1.40 0.25 0.00 1.34 0.00 0.00 72.50 72.79 1jr2 s THR 247 CO -0.03 -0.85 1.85 -0.65 -0.54 0.00 0.00 174.62 174.40 1jr2 h PRO 248 N 3.32 0.98 -0.07 3.99 0.11 -1.89 -1.61 132.00 136.83 1jr2 h PRO 248 Ca -0.35 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1jr2 h PRO 248 Cb 1.16 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1jr2 h PRO 248 CO 0.61 0.65 0.02 1.96 -0.21 0.00 0.00 178.00 181.03 1jr2 h GLN 249 N 1.01 0.11 -0.24 1.05 7.50 -1.94 -1.15 115.11 121.45 1jr2 h GLN 249 Ca 0.43 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 59.45 1jr2 h GLN 249 Cb 0.29 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 1jr2 h GLN 249 CO -0.21 0.28 -0.27 0.00 -1.50 0.00 0.00 178.83 177.13 1jr2 h ALA 250 N 0.82 1.08 -0.05 3.87 0.00 -1.78 -1.76 119.26 121.44 1jr2 h ALA 250 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1jr2 h ALA 250 Cb 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jr2 h ALA 250 CO -0.00 0.57 0.01 1.25 0.00 0.00 0.00 179.25 181.08 1jr2 h LEU 251 N 0.42 0.08 -1.05 0.00 5.85 -1.21 -2.17 115.31 117.23 1jr2 h LEU 251 Ca 0.06 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1jr2 h LEU 251 Cb 0.70 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1jr2 h LEU 251 CO 0.05 0.31 0.64 0.00 -0.34 0.00 0.00 178.44 179.10 1jr2 h ALA 252 N 0.77 1.38 -0.03 1.25 0.00 -1.11 0.16 119.26 121.67 1jr2 h ALA 252 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jr2 h ALA 252 Cb 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jr2 h ALA 252 CO 0.00 0.52 0.02 1.15 0.00 0.00 0.00 179.25 180.94 1jr2 h THR 253 N 1.22 1.02 -0.09 0.00 2.02 -1.24 -0.20 112.91 115.63 1jr2 h THR 253 Ca 0.39 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.55 1jr2 h THR 253 Cb 0.03 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1jr2 h THR 253 CO -0.13 0.01 -0.03 1.23 0.37 0.00 0.00 175.52 176.98 1jr2 h GLY 254 N 0.04 0.06 0.95 2.16 0.00 -0.64 -1.58 103.07 104.06 1jr2 h GLY 254 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1jr2 h GLY 254 CO -0.00 -0.04 0.16 -2.22 0.00 0.00 0.00 176.54 174.44 1jr2 h ILE 255 N -0.01 1.21 -0.43 2.60 2.04 -0.64 -0.69 117.51 121.59 1jr2 h ILE 255 Ca 0.04 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.30 1jr2 h ILE 255 Cb 0.07 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1jr2 h ILE 255 CO -0.10 0.24 0.14 0.03 0.00 0.00 0.00 178.15 178.46 1jr2 h ARG 256 N 0.55 0.29 -0.56 2.37 3.08 -0.80 0.27 114.38 119.57 1jr2 h ARG 256 Ca 0.14 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1jr2 h ARG 256 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1jr2 h ARG 256 CO -0.01 0.19 0.04 0.87 -1.07 0.00 0.00 179.97 179.99 1jr2 h LYS 257 N 0.30 0.97 0.00 0.04 1.57 -1.00 -2.17 116.57 116.28 1jr2 h LYS 257 Ca 0.20 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1jr2 h LYS 257 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1jr2 h LYS 257 CO -0.22 0.95 -0.17 0.00 -0.57 0.00 0.00 179.45 179.45 1jr2 h ALA 258 N 0.98 1.47 -0.35 3.86 0.00 -0.68 -2.72 119.26 121.82 1jr2 h ALA 258 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jr2 h ALA 258 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jr2 h ALA 258 CO 0.02 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1jr2 n LEU 259 N -3.97 2.96 0.00 0.00 4.77 0.04 -5.06 117.00 115.74 1jr2 n LEU 259 Ca -0.02 -1.28 0.14 0.00 -0.03 0.00 0.00 56.01 54.81 1jr2 n LEU 259 Cb 0.25 -0.22 0.82 0.00 -2.33 0.00 0.00 43.42 41.94 1jr2 n LEU 259 CO 0.33 0.64 0.99 0.00 -1.33 0.00 0.00 177.39 178.03