#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mjl s THR 7 N 0.00 4.90 0.04 0.55 2.01 -1.26 -4.22 115.64 117.67 3mjl s THR 7 Ca 0.00 1.14 0.08 0.00 0.31 0.00 0.00 61.69 63.22 3mjl s THR 7 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 3mjl s THR 7 CO 0.00 0.48 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.57 3mjl s ILE 8 N -0.56 2.58 -0.32 1.82 1.01 0.36 0.18 121.20 126.28 3mjl s ILE 8 Ca 0.29 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3mjl s ILE 8 Cb -0.18 -2.06 0.08 0.00 0.01 0.00 0.00 42.46 40.30 3mjl s ILE 8 CO 0.16 0.34 0.01 -0.83 0.00 0.00 0.00 174.94 174.63 3mjl s GLY 9 N -1.40 1.82 -0.09 6.18 0.00 0.10 -1.63 107.32 112.30 3mjl s GLY 9 Ca 0.14 -2.14 -0.23 0.00 0.00 0.00 0.00 44.72 42.49 3mjl s GLY 9 CO 0.04 0.80 0.67 -0.42 0.00 0.00 0.00 173.10 174.20 3mjl s ILE 10 N 1.07 5.05 -0.24 0.90 1.09 -0.52 0.08 121.20 128.63 3mjl s ILE 10 Ca 0.01 1.37 0.01 0.00 -1.10 0.00 0.00 60.65 60.94 3mjl s ILE 10 Cb -0.20 -4.01 0.07 0.00 -1.06 0.00 0.00 42.46 37.26 3mjl s ILE 10 CO -0.05 0.23 -0.03 -0.63 -0.10 0.00 0.00 174.94 174.36 3mjl s ILE 11 N 0.96 1.46 0.14 2.92 1.01 -0.55 0.19 121.20 127.33 3mjl s ILE 11 Ca 0.35 -1.26 -0.28 0.00 0.00 0.00 0.00 60.65 59.47 3mjl s ILE 11 Cb -0.17 -1.79 -0.07 0.00 0.01 0.00 0.00 42.46 40.44 3mjl s ILE 11 CO 0.16 -0.18 0.87 -0.83 0.00 0.00 0.00 174.94 174.96 3mjl s GLY 12 N 1.41 2.96 -0.56 6.18 0.00 -0.43 -0.88 107.32 116.00 3mjl s GLY 12 Ca -0.03 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.21 3mjl s GLY 12 CO -0.08 1.17 0.50 0.00 0.00 0.00 0.00 173.10 174.70 3mjl n ALA 13 N 2.20 3.24 -1.93 3.20 0.00 0.48 0.04 120.51 127.74 3mjl n ALA 13 Ca -0.02 -4.00 -0.40 0.00 0.00 0.00 0.00 53.44 49.03 3mjl n ALA 13 Cb 0.49 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 3mjl n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3mjl n PRO 14 N 1.93 2.43 -4.44 0.00 -0.05 -1.26 -3.20 135.00 130.41 3mjl n PRO 14 Ca 0.25 -2.62 -0.21 0.00 -0.05 0.00 0.00 63.50 60.87 3mjl n PRO 14 Cb 0.42 -3.36 -0.14 0.00 -0.05 0.00 0.00 33.50 30.38 3mjl n PRO 14 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 175.50 175.57 3mjl s PHE 15 N 5.39 1.21 0.00 0.54 5.36 -1.26 -4.81 117.98 124.40 3mjl s PHE 15 Ca 0.55 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 3mjl s PHE 15 Cb 0.08 -0.74 0.00 0.00 -0.34 0.00 0.00 43.02 42.02 3mjl s PHE 15 CO 0.05 0.01 0.03 -1.13 -1.46 0.00 0.00 175.22 172.72 3mjl n SER 16 N 2.22 0.05 -0.13 6.13 3.41 -1.26 -0.52 113.62 123.52 3mjl n SER 16 Ca -0.16 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 3mjl n SER 16 Cb 0.55 0.32 0.01 0.00 -0.26 0.00 0.00 64.21 64.83 3mjl n SER 16 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mjl n LYS 17 N -0.32 1.08 0.00 4.33 4.76 -1.26 -1.89 118.16 124.87 3mjl n LYS 17 Ca 0.00 -0.11 0.14 0.00 -2.87 0.00 0.00 58.31 55.47 3mjl n LYS 17 Cb 0.02 -1.10 0.59 0.00 -1.84 0.00 0.00 35.03 32.70 3mjl n LYS 17 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mjl n GLY 18 N 0.47 -1.34 3.70 0.72 0.00 -1.26 -4.64 105.19 102.84 3mjl n GLY 18 Ca 0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 3mjl n GLY 18 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mjl s GLN 19 N -2.83 1.80 0.14 1.61 1.03 -0.79 -0.36 119.66 120.25 3mjl s GLN 19 Ca 0.19 -1.27 -0.09 0.00 0.04 0.00 0.00 55.36 54.22 3mjl s GLN 19 Cb 0.19 0.54 -0.05 0.00 0.03 0.00 0.00 33.01 33.72 3mjl s GLN 19 CO 0.53 -0.79 1.41 -1.35 -2.54 0.00 0.00 175.29 172.55 3mjl h PRO 20 N 2.11 0.75 -6.27 9.60 0.11 -1.91 -3.46 132.00 132.93 3mjl h PRO 20 Ca -0.25 -0.52 -0.55 0.00 0.11 0.00 0.00 66.00 64.80 3mjl h PRO 20 Cb 1.25 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 3mjl h PRO 20 CO 0.33 1.14 0.22 1.03 -0.21 0.00 0.00 178.00 180.51 3mjl s ARG 21 N -3.97 4.52 0.16 1.05 0.52 -1.26 -4.99 118.95 114.97 3mjl s ARG 21 Ca -0.09 1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 56.24 3mjl s ARG 21 Cb 0.10 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.15 3mjl s ARG 21 CO 0.88 0.09 1.40 0.78 0.02 0.00 0.00 175.30 178.47 3mjl h GLY 22 N 6.39 0.54 1.42 -3.53 0.00 -1.91 -3.37 103.07 102.61 3mjl h GLY 22 Ca -0.42 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.14 3mjl h GLY 22 CO 0.74 0.69 0.00 0.61 0.00 0.00 0.00 176.54 178.57 3mjl n GLY 23 N 0.62 -0.56 0.28 4.60 0.00 -1.26 -2.77 105.19 106.10 3mjl n GLY 23 Ca -0.05 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.08 3mjl n GLY 23 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3mjl h VAL 24 N 0.00 0.24 0.00 1.61 3.04 -1.80 0.13 116.25 119.48 3mjl h VAL 24 Ca 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3mjl h VAL 24 Cb 0.07 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 3mjl h VAL 24 CO 0.00 0.06 0.00 -0.33 -1.01 0.00 0.00 177.57 176.29 3mjl h GLU 25 N 0.00 0.00 -0.62 4.17 5.08 -1.71 -1.43 114.58 120.08 3mjl h GLU 25 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mjl h GLU 25 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3mjl h GLU 25 CO 0.01 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.41 3mjl n GLU 26 N -2.67 2.82 0.03 2.33 -0.58 0.03 -4.39 120.64 118.21 3mjl n GLU 26 Ca -0.01 -2.29 -0.11 0.00 -0.42 0.00 0.00 57.16 54.34 3mjl n GLU 26 Cb 0.13 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 29.34 3mjl n GLU 26 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3mjl h GLY 27 N 4.57 -0.32 1.99 0.62 0.00 -1.51 -1.00 103.07 107.41 3mjl h GLY 27 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3mjl h GLY 27 CO 0.09 -0.20 0.00 -2.55 0.00 0.00 0.00 176.54 173.88 3mjl h PRO 28 N -0.35 0.00 0.14 4.80 0.11 -1.76 -1.09 132.00 133.85 3mjl h PRO 28 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3mjl h PRO 28 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3mjl h PRO 28 CO -0.27 0.00 -0.07 1.15 -0.21 0.00 0.00 178.00 178.61 3mjl h THR 29 N 0.00 1.02 0.00 -1.15 2.02 -1.69 -2.09 112.91 111.02 3mjl h THR 29 Ca 0.00 -1.02 -0.09 0.00 0.77 0.00 0.00 66.41 66.07 3mjl h THR 29 Cb 0.01 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3mjl h THR 29 CO -0.00 0.23 -0.41 0.58 0.37 0.00 0.00 175.52 176.28 3mjl h VAL 30 N -0.70 0.76 -0.39 3.16 2.07 -0.76 -1.50 116.25 118.89 3mjl h VAL 30 Ca -0.02 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.58 3mjl h VAL 30 Cb 0.51 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 3mjl h VAL 30 CO 0.03 0.41 0.17 -0.07 0.02 0.00 0.00 177.57 178.13 3mjl h LEU 31 N 0.00 0.53 -1.16 2.57 3.38 -1.29 -0.28 115.31 119.04 3mjl h LEU 31 Ca -0.00 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3mjl h LEU 31 Cb 1.21 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3mjl h LEU 31 CO 0.05 0.53 0.57 0.03 0.09 0.00 0.00 178.44 179.72 3mjl h ARG 32 N 0.49 1.07 -0.47 1.13 3.08 -1.27 -1.54 114.38 116.86 3mjl h ARG 32 Ca 0.13 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3mjl h ARG 32 Cb 0.16 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3mjl h ARG 32 CO -0.01 0.71 0.23 0.87 -1.07 0.00 0.00 179.97 180.69 3mjl h LYS 33 N 1.10 0.66 0.00 0.04 1.57 -0.96 -1.96 116.57 117.01 3mjl h LYS 33 Ca 0.34 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3mjl h LYS 33 Cb -0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3mjl h LYS 33 CO -0.10 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.30 3mjl n ALA 34 N -2.46 2.27 -1.69 3.86 0.00 -0.14 -4.83 120.51 117.52 3mjl n ALA 34 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3mjl n ALA 34 Cb 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3mjl n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mjl n GLY 35 N 0.31 0.56 0.32 0.00 0.00 -0.74 -4.97 105.19 100.67 3mjl n GLY 35 Ca 0.13 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3mjl n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mjl h LEU 36 N 0.00 -0.86 -1.01 0.99 5.85 -1.61 0.50 115.31 119.17 3mjl h LEU 36 Ca 0.00 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3mjl h LEU 36 Cb 0.81 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3mjl h LEU 36 CO 0.00 -0.38 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.16 3mjl h LEU 37 N -0.49 0.00 -0.57 2.25 3.38 -1.86 -0.87 115.31 117.14 3mjl h LEU 37 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3mjl h LEU 37 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3mjl h LEU 37 CO -0.20 0.49 -0.22 -0.33 0.09 0.00 0.00 178.44 178.28 3mjl h GLU 38 N 0.00 0.91 -0.18 1.13 3.07 -1.85 -1.32 114.58 116.35 3mjl h GLU 38 Ca -0.00 -0.38 -0.08 0.00 -0.50 0.00 0.00 59.36 58.40 3mjl h GLU 38 Cb 0.88 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 3mjl h GLU 38 CO 0.06 1.04 -0.22 0.87 -1.40 0.00 0.00 179.01 179.36 3mjl h LYS 39 N 0.79 0.32 -0.19 2.33 1.57 -0.11 0.25 116.57 121.53 3mjl h LYS 39 Ca 0.10 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3mjl h LYS 39 Cb 0.78 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3mjl h LYS 39 CO 0.06 0.53 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.40 3mjl h LEU 40 N 0.29 0.34 -0.95 2.94 3.38 -0.88 -1.45 115.31 118.99 3mjl h LEU 40 Ca 0.05 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3mjl h LEU 40 Cb 0.56 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3mjl h LEU 40 CO 0.04 0.59 0.61 0.11 0.09 0.00 0.00 178.44 179.88 3mjl h LYS 41 N 0.09 1.26 -0.80 1.13 1.57 -0.91 -1.17 116.57 117.75 3mjl h LYS 41 Ca 0.05 -0.09 0.14 0.00 -1.87 0.00 0.00 60.65 58.89 3mjl h LYS 41 Cb 0.42 -0.28 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 3mjl h LYS 41 CO 0.01 0.85 0.53 0.93 -0.57 0.00 0.00 179.45 181.20 3mjl h GLU 42 N 1.29 0.50 0.00 3.15 5.08 -0.13 -3.38 114.58 121.09 3mjl h GLU 42 Ca 0.35 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3mjl h GLU 42 Cb -0.12 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3mjl h GLU 42 CO -0.07 0.33 0.00 0.94 -1.00 0.00 0.00 179.01 179.21 3mjl n GLN 43 N -4.50 0.15 0.00 2.33 7.27 -0.46 -4.90 117.38 117.28 3mjl n GLN 43 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.22 3mjl n GLN 43 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 3mjl n GLN 43 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 3mjl n GLU 44 N -0.66 0.89 -4.18 3.69 0.28 -1.25 -4.94 120.64 114.47 3mjl n GLU 44 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 3mjl n GLU 44 Cb 0.00 -1.24 -0.08 0.00 1.43 0.00 0.00 31.44 31.55 3mjl n GLU 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3mjl s ASP 46 N -2.00 5.87 -0.17 0.00 2.15 -1.26 -4.38 116.67 116.88 3mjl s ASP 46 Ca 0.24 -1.62 0.01 0.00 0.43 0.00 0.00 52.55 51.61 3mjl s ASP 46 Cb -0.12 -2.08 0.01 0.00 -0.30 0.00 0.00 42.92 40.43 3mjl s ASP 46 CO 0.15 -0.66 -0.18 -0.69 -0.17 0.00 0.00 175.17 173.62 3mjl s VAL 47 N 1.49 2.28 -0.18 1.11 1.01 -1.26 -0.49 120.40 124.36 3mjl s VAL 47 Ca 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3mjl s VAL 47 Cb -0.25 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3mjl s VAL 47 CO 0.03 0.53 -0.18 -0.54 0.00 0.00 0.00 175.10 174.93 3mjl s LYS 48 N 1.12 2.81 -0.08 2.72 -0.14 -0.65 -5.01 119.74 120.51 3mjl s LYS 48 Ca 0.00 -0.80 -0.27 0.00 -1.36 0.00 0.00 55.97 53.54 3mjl s LYS 48 Cb -0.14 -2.50 -0.02 0.00 -1.68 0.00 0.00 37.83 33.49 3mjl s LYS 48 CO -0.07 -0.23 0.87 0.34 -0.76 0.00 0.00 175.35 175.49 3mjl s ASP 49 N 1.32 7.13 0.00 2.83 -1.08 -1.26 -1.44 116.67 124.17 3mjl s ASP 49 Ca 0.04 1.38 0.22 0.00 -0.52 0.00 0.00 52.55 53.67 3mjl s ASP 49 Cb -0.13 -2.49 0.52 0.00 -1.46 0.00 0.00 42.92 39.35 3mjl s ASP 49 CO -0.12 -0.30 1.44 -1.22 0.52 0.00 0.00 175.17 175.49 3mjl n TYR 50 N 4.45 0.50 0.00 -5.34 4.02 0.50 -4.89 117.16 116.41 3mjl n TYR 50 Ca 0.04 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 3mjl n TYR 50 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 3mjl n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mjl n GLY 51 N 1.42 -0.80 3.57 2.72 0.00 -1.24 -4.86 105.19 105.99 3mjl n GLY 51 Ca 0.19 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 3mjl n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mjl s ASP 52 N -2.42 6.41 0.29 1.61 1.11 -1.26 -1.32 116.67 121.10 3mjl s ASP 52 Ca 0.00 0.14 -0.30 0.00 0.18 0.00 0.00 52.55 52.57 3mjl s ASP 52 Cb 0.00 -2.31 -0.11 0.00 1.07 0.00 0.00 42.92 41.57 3mjl s ASP 52 CO 0.00 -0.55 1.55 -0.76 1.18 0.00 0.00 175.17 176.59 3mjl s LEU 53 N 2.62 4.35 -0.80 1.23 1.43 0.11 -4.88 118.68 122.74 3mjl s LEU 53 Ca 0.23 2.90 -0.21 0.00 -1.03 0.00 0.00 54.13 56.02 3mjl s LEU 53 Cb -0.15 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.54 3mjl s LEU 53 CO 0.14 -0.87 1.06 -2.16 0.23 0.00 0.00 176.35 174.75 3mjl s PRO 54 N -0.60 3.36 -0.53 1.29 0.04 -1.26 -4.56 135.00 132.74 3mjl s PRO 54 Ca 0.62 -1.29 -0.27 0.00 0.04 0.00 0.00 61.00 60.09 3mjl s PRO 54 Cb -0.46 -4.61 0.03 0.00 0.04 0.00 0.00 34.50 29.50 3mjl s PRO 54 CO 0.48 -1.81 1.09 -0.06 0.04 0.00 0.00 177.00 176.75 3mjl s PHE 55 N 3.43 2.75 0.41 0.56 0.08 -1.26 -5.01 117.98 118.95 3mjl s PHE 55 Ca 0.28 0.44 -0.14 0.00 0.12 0.00 0.00 56.93 57.62 3mjl s PHE 55 Cb -0.11 -4.34 -0.08 0.00 -0.57 0.00 0.00 43.02 37.93 3mjl s PHE 55 CO -0.00 -1.38 0.83 0.00 -0.10 0.00 0.00 175.22 174.57 3mjl s ALA 56 N 4.46 3.24 0.47 5.36 0.00 -1.26 -5.01 121.76 129.02 3mjl s ALA 56 Ca 0.42 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 3mjl s ALA 56 Cb -0.08 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.09 3mjl s ALA 56 CO 0.27 0.04 1.42 0.34 0.00 0.00 0.00 175.76 177.83 3mjl s ASP 57 N -2.80 5.76 -0.55 0.00 3.68 -1.26 -4.99 116.67 116.50 3mjl s ASP 57 Ca 0.55 2.91 0.04 0.00 2.13 0.00 0.00 52.55 58.18 3mjl s ASP 57 Cb -0.10 -2.65 0.14 0.00 -1.45 0.00 0.00 42.92 38.86 3mjl s ASP 57 CO 0.26 -1.26 0.33 -0.63 0.13 0.00 0.00 175.17 173.99 3mjl s ILE 58 N -1.21 2.38 0.31 4.11 1.01 -1.26 -4.99 121.20 121.54 3mjl s ILE 58 Ca 0.63 -3.43 0.02 0.00 0.00 0.00 0.00 60.65 57.86 3mjl s ILE 58 Cb -0.44 -2.62 0.15 0.00 0.01 0.00 0.00 42.46 39.56 3mjl s ILE 58 CO 0.55 -0.89 1.84 -0.65 0.00 0.00 0.00 174.94 175.79 3mjl h PRO 59 N 6.19 0.67 -4.55 2.79 0.11 -2.04 -3.34 132.00 131.83 3mjl h PRO 59 Ca 0.01 -0.15 -0.73 0.00 0.11 0.00 0.00 66.00 65.25 3mjl h PRO 59 Cb 0.86 -0.09 -0.21 0.00 0.11 0.00 0.00 31.00 31.67 3mjl h PRO 59 CO 0.65 0.66 0.40 -0.80 -0.21 0.00 0.00 178.00 178.70 3mjl s ASN 60 N -6.67 6.55 -0.44 -2.05 0.01 -1.26 -4.86 114.94 106.22 3mjl s ASN 60 Ca -0.09 -2.09 0.07 0.00 -0.71 0.00 0.00 52.86 50.04 3mjl s ASN 60 Cb 0.15 -2.31 0.23 0.00 0.41 0.00 0.00 41.25 39.74 3mjl s ASN 60 CO 0.78 -0.92 0.66 -0.67 -1.51 0.00 0.00 177.10 175.45 3mjl n ASP 61 N 5.65 -1.36 -4.80 -1.22 2.03 -1.26 -4.98 116.55 110.62 3mjl n ASP 61 Ca 0.12 -2.92 -0.34 0.00 0.52 0.00 0.00 54.79 52.17 3mjl n ASP 61 Cb 0.47 0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 41.35 3mjl n ASP 61 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3mjl s SER 62 N -1.10 6.25 0.69 1.67 0.01 -1.26 -4.39 113.70 115.57 3mjl s SER 62 Ca 0.33 1.93 -0.17 0.00 1.31 0.00 0.00 55.95 59.35 3mjl s SER 62 Cb 0.17 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 3mjl s SER 62 CO -0.17 -0.85 0.48 -2.65 0.41 0.00 0.00 173.24 170.46 3mjl n PRO 63 N -1.10 0.33 -3.61 12.44 -0.02 -1.26 -4.69 135.00 137.08 3mjl n PRO 63 Ca 0.09 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 3mjl n PRO 63 Cb 0.52 -1.76 -0.11 0.00 -0.02 0.00 0.00 33.50 32.14 3mjl n PRO 63 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3mjl s PHE 64 N -1.88 3.29 0.00 6.00 5.36 0.24 -4.89 117.98 126.11 3mjl s PHE 64 Ca 0.65 -1.31 0.00 0.00 -0.96 0.00 0.00 56.93 55.32 3mjl s PHE 64 Cb -0.37 -2.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.61 3mjl s PHE 64 CO 0.58 -0.76 0.00 1.04 -1.46 0.00 0.00 175.22 174.62 3mjl n GLN 65 N 4.94 0.00 -0.05 10.12 6.02 -1.26 0.79 117.38 137.94 3mjl n GLN 65 Ca -0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.00 3mjl n GLN 65 Cb 0.44 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.90 3mjl n GLN 65 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 3mjl n ILE 66 N 0.00 0.14 -2.89 5.09 3.06 -1.26 -4.92 119.36 118.58 3mjl n ILE 66 Ca 0.00 -0.52 -0.41 0.00 -2.50 0.00 0.00 62.75 59.32 3mjl n ILE 66 Cb 0.00 1.17 -0.04 0.00 0.54 0.00 0.00 39.64 41.31 3mjl n ILE 66 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3mjl s VAL 67 N -1.86 4.91 0.04 9.51 1.01 0.24 -4.29 120.40 129.96 3mjl s VAL 67 Ca 0.32 1.66 -0.13 0.00 0.00 0.00 0.00 61.98 63.84 3mjl s VAL 67 Cb 0.21 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 3mjl s VAL 67 CO 0.31 0.08 0.42 -0.54 0.00 0.00 0.00 175.10 175.37 3mjl s LYS 68 N 1.76 3.87 -1.61 2.72 1.02 -1.04 0.82 119.74 127.28 3mjl s LYS 68 Ca 0.40 0.34 -0.12 0.00 0.02 0.00 0.00 55.97 56.62 3mjl s LYS 68 Cb -0.17 -3.11 0.10 0.00 -0.52 0.00 0.00 37.83 34.13 3mjl s LYS 68 CO 0.15 0.62 0.60 0.09 -0.92 0.00 0.00 175.35 175.90 3mjl n ASN 69 N 1.40 -2.01 -0.22 2.83 3.02 -1.26 -4.60 115.26 114.42 3mjl n ASN 69 Ca -0.11 -1.04 -0.07 0.00 -0.03 0.00 0.00 54.58 53.32 3mjl n ASN 69 Cb 0.52 -2.69 0.06 0.00 -0.61 0.00 0.00 39.78 37.06 3mjl n ASN 69 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3mjl h PRO 70 N -1.60 1.07 0.00 3.52 0.13 -1.83 -1.77 132.00 131.53 3mjl h PRO 70 Ca -0.61 -0.29 -0.08 0.00 -0.87 0.00 0.00 66.00 64.15 3mjl h PRO 70 Cb 1.38 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3mjl h PRO 70 CO 0.74 0.99 -0.39 0.00 -0.23 0.00 0.00 178.00 179.11 3mjl h ARG 71 N 1.00 0.00 -0.17 0.86 3.08 -1.89 0.19 114.38 117.44 3mjl h ARG 71 Ca 0.19 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 3mjl h ARG 71 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3mjl h ARG 71 CO 0.02 0.39 -0.36 0.77 -1.07 0.00 0.00 179.97 179.72 3mjl h SER 72 N 0.00 0.61 -0.46 7.04 0.02 -1.80 -1.05 113.55 117.90 3mjl h SER 72 Ca -0.00 -0.56 -0.09 0.00 -0.84 0.00 0.00 61.79 60.29 3mjl h SER 72 Cb 0.72 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3mjl h SER 72 CO 0.05 1.05 -0.08 0.58 -1.14 0.00 0.00 176.83 177.29 3mjl h VAL 73 N 0.19 1.27 0.04 2.27 2.07 -1.10 -2.49 116.25 118.49 3mjl h VAL 73 Ca 0.00 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.36 3mjl h VAL 73 Cb 0.96 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 3mjl h VAL 73 CO 0.08 0.41 -0.28 1.23 0.02 0.00 0.00 177.57 179.03 3mjl h GLY 74 N 0.71 -0.47 1.64 2.17 0.00 -0.59 -2.00 103.07 104.53 3mjl h GLY 74 Ca 0.12 0.33 -0.15 0.00 0.00 0.00 0.00 47.33 47.63 3mjl h GLY 74 CO 0.04 -0.22 -0.59 1.70 0.00 0.00 0.00 176.54 177.47 3mjl h LYS 75 N -0.45 0.38 -0.18 4.80 1.63 -1.22 -1.47 116.57 120.06 3mjl h LYS 75 Ca 0.05 -0.25 -0.11 0.00 -0.85 0.00 0.00 60.65 59.49 3mjl h LYS 75 Cb 0.51 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 3mjl h LYS 75 CO -0.22 0.85 -0.36 0.00 -3.45 0.00 0.00 179.45 176.27 3mjl h ALA 76 N 1.09 1.05 -0.00 5.00 0.00 -1.40 0.16 119.26 125.16 3mjl h ALA 76 Ca -0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 3mjl h ALA 76 Cb 1.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3mjl h ALA 76 CO 0.10 0.59 -0.87 0.77 0.00 0.00 0.00 179.25 179.84 3mjl h SER 77 N 0.33 0.33 0.12 0.00 0.02 -1.26 -1.42 113.55 111.66 3mjl h SER 77 Ca 0.04 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3mjl h SER 77 Cb 0.79 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 3mjl h SER 77 CO 0.06 1.06 -0.23 -0.08 -1.14 0.00 0.00 176.83 176.50 3mjl h GLU 78 N 0.15 -0.41 0.12 3.45 4.81 -0.80 0.50 114.58 122.39 3mjl h GLU 78 Ca -0.05 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3mjl h GLU 78 Cb 1.50 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.93 3mjl h GLU 78 CO 0.14 -0.27 -0.38 1.96 -0.73 0.00 0.00 179.01 179.72 3mjl h GLN 79 N -0.43 -0.59 -0.37 1.92 4.20 -0.69 -1.47 115.11 117.69 3mjl h GLN 79 Ca 0.03 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3mjl h GLN 79 Cb 0.45 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3mjl h GLN 79 CO -0.13 -0.39 0.17 1.25 -0.67 0.00 0.00 178.83 179.05 3mjl h LEU 80 N -0.61 0.46 -0.29 1.46 5.85 -0.97 -0.10 115.31 121.10 3mjl h LEU 80 Ca 0.03 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3mjl h LEU 80 Cb 0.64 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3mjl h LEU 80 CO -0.23 0.40 0.18 0.00 -0.34 0.00 0.00 178.44 178.46 3mjl h ALA 81 N 1.67 0.37 -0.57 1.25 0.00 0.53 -0.87 119.26 121.65 3mjl h ALA 81 Ca 0.13 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3mjl h ALA 81 Cb 0.08 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 3mjl h ALA 81 CO -0.02 -0.14 -0.15 0.78 0.00 0.00 0.00 179.25 179.71 3mjl h GLY 82 N 0.38 0.39 1.29 0.00 0.00 -0.00 -2.56 103.07 102.56 3mjl h GLY 82 Ca 0.11 0.20 -0.24 0.00 0.00 0.00 0.00 47.33 47.40 3mjl h GLY 82 CO -0.02 -0.22 -0.92 0.50 0.00 0.00 0.00 176.54 175.88 3mjl h LYS 83 N -0.01 0.66 -0.56 4.80 1.79 -0.49 -2.80 116.57 119.96 3mjl h LYS 83 Ca 0.27 -0.64 0.01 0.00 -2.18 0.00 0.00 60.65 58.11 3mjl h LYS 83 Cb 0.43 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 3mjl h LYS 83 CO -0.60 1.24 0.37 0.28 -1.08 0.00 0.00 179.45 179.67 3mjl h VAL 84 N 0.41 1.14 -0.80 0.50 2.07 -1.11 -0.50 116.25 117.96 3mjl h VAL 84 Ca -0.09 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3mjl h VAL 84 Cb 1.55 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3mjl h VAL 84 CO 0.18 0.14 0.53 0.00 0.02 0.00 0.00 177.57 178.43 3mjl h ALA 85 N 1.21 1.49 0.41 1.67 0.00 -1.41 0.10 119.26 122.73 3mjl h ALA 85 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3mjl h ALA 85 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3mjl h ALA 85 CO -0.05 0.44 -0.33 1.49 0.00 0.00 0.00 179.25 180.81 3mjl h GLU 86 N 1.01 -0.71 -0.68 0.00 4.57 -1.15 0.12 114.58 117.75 3mjl h GLU 86 Ca 0.31 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.56 3mjl h GLU 86 Cb -0.00 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 3mjl h GLU 86 CO -0.09 -0.47 0.44 0.28 -1.18 0.00 0.00 179.01 177.99 3mjl h VAL 87 N -0.73 1.13 -0.56 0.32 2.07 -0.21 -1.56 116.25 116.70 3mjl h VAL 87 Ca -0.04 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3mjl h VAL 87 Cb 0.64 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3mjl h VAL 87 CO -0.01 0.16 0.29 0.11 0.02 0.00 0.00 177.57 178.14 3mjl h LYS 88 N 0.87 0.79 0.00 1.57 1.79 -0.66 -0.76 116.57 120.18 3mjl h LYS 88 Ca 0.26 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3mjl h LYS 88 Cb -0.04 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 3mjl h LYS 88 CO -0.08 0.62 0.00 1.63 -1.08 0.00 0.00 179.45 180.54 3mjl n LYS 89 N -4.59 0.03 -0.39 3.15 5.02 0.42 -0.81 118.16 120.99 3mjl n LYS 89 Ca 0.03 0.37 0.11 0.00 -2.02 0.00 0.00 58.31 56.80 3mjl n LYS 89 Cb 0.10 -1.57 0.32 0.00 -0.02 0.00 0.00 35.03 33.86 3mjl n LYS 89 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mjl n ASN 90 N -1.63 4.01 -2.79 4.39 3.02 -0.31 -4.98 115.26 116.97 3mjl n ASN 90 Ca 0.02 -2.06 -0.14 0.00 -0.03 0.00 0.00 54.58 52.37 3mjl n ASN 90 Cb 0.12 -0.49 0.06 0.00 -0.61 0.00 0.00 39.78 38.86 3mjl n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mjl n GLY 91 N 1.51 -0.15 3.03 7.41 0.00 0.01 -5.03 105.19 111.96 3mjl n GLY 91 Ca 0.24 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 3mjl n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mjl s ARG 92 N -5.29 0.43 -0.04 1.61 0.52 -1.14 -4.76 118.95 110.28 3mjl s ARG 92 Ca 0.13 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 3mjl s ARG 92 Cb -0.06 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 3mjl s ARG 92 CO 0.54 -0.08 1.32 0.42 0.02 0.00 0.00 175.30 177.52 3mjl s ILE 93 N -2.44 3.98 0.11 1.52 1.01 0.49 -4.19 121.20 121.68 3mjl s ILE 93 Ca -0.07 1.32 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 3mjl s ILE 93 Cb -0.03 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 3mjl s ILE 93 CO -0.05 -0.02 1.08 -0.94 0.00 0.00 0.00 174.94 175.01 3mjl s SER 94 N 1.78 7.29 -0.38 3.58 1.04 -1.09 0.01 113.70 125.92 3mjl s SER 94 Ca 0.60 1.95 0.01 0.00 0.48 0.00 0.00 55.95 59.00 3mjl s SER 94 Cb -0.28 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.36 3mjl s SER 94 CO 0.24 -0.25 0.12 -0.22 0.98 0.00 0.00 173.24 174.10 3mjl s LEU 95 N 0.22 4.93 -0.30 2.42 0.20 0.11 -0.91 118.68 125.35 3mjl s LEU 95 Ca 0.51 -2.16 -0.19 0.00 0.69 0.00 0.00 54.13 52.98 3mjl s LEU 95 Cb -0.27 -1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 3mjl s LEU 95 CO 0.32 -0.43 0.58 -0.69 -0.29 0.00 0.00 176.35 175.84 3mjl s VAL 96 N 0.91 4.98 -0.23 1.68 1.01 -0.29 -1.49 120.40 126.98 3mjl s VAL 96 Ca 0.10 0.77 -0.17 0.00 0.00 0.00 0.00 61.98 62.68 3mjl s VAL 96 Cb -0.21 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3mjl s VAL 96 CO -0.06 -0.10 0.48 -0.76 0.00 0.00 0.00 175.10 174.66 3mjl s LEU 97 N 2.50 4.11 0.61 3.92 1.43 -0.06 -1.06 118.68 130.13 3mjl s LEU 97 Ca 0.23 0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.96 3mjl s LEU 97 Cb -0.15 -2.64 0.10 0.00 0.03 0.00 0.00 46.19 43.53 3mjl s LEU 97 CO 0.11 -0.20 0.85 -0.83 0.23 0.00 0.00 176.35 176.51 3mjl s GLY 98 N 1.31 1.74 0.00 -3.19 0.00 0.46 -0.39 107.32 107.24 3mjl s GLY 98 Ca 0.21 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.90 3mjl s GLY 98 CO 0.09 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.26 3mjl n GLY 99 N -2.40 -0.48 3.87 0.20 0.00 -0.60 -3.32 105.19 102.46 3mjl n GLY 99 Ca 0.15 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 3mjl n GLY 99 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mjl s ASP 100 N -1.62 4.25 0.00 1.61 1.47 0.32 -2.01 116.67 120.70 3mjl s ASP 100 Ca 0.00 0.83 0.17 0.00 1.18 0.00 0.00 52.55 54.73 3mjl s ASP 100 Cb 0.00 -1.34 0.88 0.00 -0.34 0.00 0.00 42.92 42.12 3mjl s ASP 100 CO 0.00 -2.07 1.50 1.57 0.68 0.00 0.00 175.17 176.84 3mjl n HIS 101 N -3.43 0.00 0.30 2.11 -0.00 -1.26 -3.14 115.22 109.79 3mjl n HIS 101 Ca 0.08 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.96 3mjl n HIS 101 Cb 0.61 -0.25 0.96 0.00 -0.00 0.00 0.00 29.99 31.30 3mjl n HIS 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3mjl h SER 102 N 0.00 0.00 0.60 0.26 4.64 -1.79 -2.17 113.55 115.09 3mjl h SER 102 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mjl h SER 102 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3mjl h SER 102 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3mjl n LEU 103 N -3.72 0.32 -0.36 5.97 4.77 -1.19 -2.55 117.00 120.25 3mjl n LEU 103 Ca -0.03 0.58 0.03 0.00 -0.03 0.00 0.00 56.01 56.56 3mjl n LEU 103 Cb 0.10 -0.54 0.19 0.00 -2.33 0.00 0.00 43.42 40.84 3mjl n LEU 103 CO 0.26 -0.41 1.26 0.00 -1.33 0.00 0.00 177.39 177.18 3mjl h ALA 104 N 2.38 1.42 -0.63 -1.18 0.00 -1.66 -0.87 119.26 118.72 3mjl h ALA 104 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3mjl h ALA 104 Cb 0.30 -0.30 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 3mjl h ALA 104 CO 0.00 0.43 -0.23 0.82 0.00 0.00 0.00 179.25 180.26 3mjl h ILE 105 N 1.15 0.27 -0.07 0.00 2.04 -1.73 0.32 117.51 119.49 3mjl h ILE 105 Ca 0.43 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 66.08 3mjl h ILE 105 Cb 0.19 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3mjl h ILE 105 CO -0.17 0.00 -0.81 1.23 0.00 0.00 0.00 178.15 178.39 3mjl h GLY 106 N -0.07 0.57 0.85 5.37 0.00 -1.46 -1.90 103.07 106.42 3mjl h GLY 106 Ca 0.28 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 3mjl h GLY 106 CO -0.68 0.77 -0.01 0.23 0.00 0.00 0.00 176.54 176.85 3mjl h SER 107 N 0.33 0.45 -0.02 0.19 0.87 -0.36 0.16 113.55 115.18 3mjl h SER 107 Ca -0.05 -0.32 -0.22 0.00 -1.23 0.00 0.00 61.79 59.97 3mjl h SER 107 Cb 1.42 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 63.27 3mjl h SER 107 CO 0.15 0.66 -0.80 0.40 -0.53 0.00 0.00 176.83 176.71 3mjl h ILE 108 N 0.23 1.31 0.01 2.23 2.04 -0.50 -1.87 117.51 120.96 3mjl h ILE 108 Ca 0.07 -2.06 0.03 0.00 1.00 0.00 0.00 64.86 63.90 3mjl h ILE 108 Cb 0.44 2.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 3mjl h ILE 108 CO 0.02 0.64 -0.36 0.28 0.00 0.00 0.00 178.15 178.73 3mjl h SER 109 N 0.45 -1.08 -0.58 1.72 0.02 -1.21 -1.04 113.55 111.84 3mjl h SER 109 Ca -0.06 0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3mjl h SER 109 Cb 1.42 0.43 -0.02 0.00 0.14 0.00 0.00 62.40 64.36 3mjl h SER 109 CO 0.16 -0.42 0.07 1.23 -1.14 0.00 0.00 176.83 176.73 3mjl h GLY 110 N -0.52 1.05 0.21 -3.77 0.00 -0.97 -2.46 103.07 96.60 3mjl h GLY 110 Ca 0.05 -0.71 0.10 0.00 0.00 0.00 0.00 47.33 46.77 3mjl h GLY 110 CO -0.28 0.66 0.09 0.84 0.00 0.00 0.00 176.54 177.85 3mjl h HIS 111 N 0.87 0.14 0.00 5.60 6.17 -1.16 -2.62 115.15 124.14 3mjl h HIS 111 Ca 0.17 0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.25 3mjl h HIS 111 Cb 0.45 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 3mjl h HIS 111 CO 0.03 -0.05 -0.19 0.00 0.71 0.00 0.00 177.93 178.44 3mjl h ALA 112 N 1.46 0.97 -0.91 5.26 0.00 -0.84 0.31 119.26 125.51 3mjl h ALA 112 Ca 0.29 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3mjl h ALA 112 Cb 0.42 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3mjl h ALA 112 CO -0.39 0.24 0.59 0.00 0.00 0.00 0.00 179.25 179.69 3mjl h ARG 113 N 0.00 1.05 0.03 0.00 3.08 -1.05 0.06 114.38 117.55 3mjl h ARG 113 Ca -0.00 -0.06 -0.31 0.00 0.07 0.00 0.00 59.98 59.68 3mjl h ARG 113 Cb 0.82 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 3mjl h ARG 113 CO 0.02 0.70 -1.77 0.28 -1.07 0.00 0.00 179.97 178.13 3mjl n VAL 114 N -4.47 1.66 -3.19 2.04 0.31 -1.09 -4.65 118.33 108.93 3mjl n VAL 114 Ca 0.13 -0.76 -0.24 0.00 -0.01 0.00 0.00 64.34 63.46 3mjl n VAL 114 Cb 0.15 -1.22 -0.06 0.00 -0.91 0.00 0.00 33.84 31.81 3mjl n VAL 114 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3mjl n HIS 115 N -3.16 1.62 0.28 3.52 8.25 0.11 -4.94 115.22 120.90 3mjl n HIS 115 Ca -0.20 -3.86 0.13 0.00 -0.26 0.00 0.00 57.72 53.53 3mjl n HIS 115 Cb 1.05 -0.45 0.70 0.00 1.12 0.00 0.00 29.99 32.41 3mjl n HIS 115 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3mjl h PRO 116 N 3.56 0.00 -0.53 -0.41 0.13 -1.21 -0.88 132.00 132.66 3mjl h PRO 116 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3mjl h PRO 116 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3mjl h PRO 116 CO 0.63 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.00 3mjl n ASP 117 N -2.65 2.78 -4.75 1.44 5.75 -1.26 -4.98 116.55 112.88 3mjl n ASP 117 Ca -0.02 -2.15 -0.36 0.00 -0.01 0.00 0.00 54.79 52.25 3mjl n ASP 117 Cb 0.35 -0.38 0.05 0.00 -1.03 0.00 0.00 41.12 40.10 3mjl n ASP 117 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 3mjl s LEU 118 N -1.18 3.60 0.11 -2.12 0.05 -0.34 -4.46 118.68 114.35 3mjl s LEU 118 Ca 0.31 2.42 0.08 0.00 0.05 0.00 0.00 54.13 56.99 3mjl s LEU 118 Cb 0.18 -4.60 -0.04 0.00 -2.05 0.00 0.00 46.19 39.68 3mjl s LEU 118 CO 0.17 -1.75 -0.12 -0.83 -0.55 0.00 0.00 176.35 173.26 3mjl s GLY 119 N -1.63 1.76 -0.13 -3.48 0.00 0.11 -4.96 107.32 98.99 3mjl s GLY 119 Ca 0.78 -1.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.20 3mjl s GLY 119 CO 0.36 -1.27 -0.11 0.14 0.00 0.00 0.00 173.10 172.21 3mjl s VAL 120 N -1.22 3.23 -0.22 1.40 1.01 0.57 -1.18 120.40 123.99 3mjl s VAL 120 Ca 0.21 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3mjl s VAL 120 Cb -0.11 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3mjl s VAL 120 CO 0.13 0.52 0.01 -0.63 0.00 0.00 0.00 175.10 175.13 3mjl s ILE 121 N 0.26 3.94 -0.33 2.22 1.01 -0.62 -0.27 121.20 127.40 3mjl s ILE 121 Ca -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 3mjl s ILE 121 Cb -0.15 -2.80 0.07 0.00 0.01 0.00 0.00 42.46 39.59 3mjl s ILE 121 CO 0.05 0.41 0.05 0.86 0.00 0.00 0.00 174.94 176.31 3mjl s TRP 122 N 1.23 3.42 -0.30 3.97 -0.11 0.46 -0.44 118.94 127.18 3mjl s TRP 122 Ca 0.03 -2.22 -0.13 0.00 1.22 0.00 0.00 56.10 55.00 3mjl s TRP 122 Cb -0.15 -2.51 -0.03 0.00 -1.50 0.00 0.00 33.47 29.28 3mjl s TRP 122 CO 0.01 -0.88 0.28 0.08 -4.62 0.00 0.00 176.95 171.82 3mjl s VAL 123 N 1.16 5.24 -0.24 5.86 1.01 -0.60 -1.91 120.40 130.92 3mjl s VAL 123 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3mjl s VAL 123 Cb -0.20 -3.66 0.17 0.00 0.00 0.00 0.00 36.38 32.68 3mjl s VAL 123 CO -0.03 0.11 1.23 -0.62 0.00 0.00 0.00 175.10 175.79 3mjl s ASP 124 N 1.72 -0.16 0.45 3.32 -1.08 -0.68 -1.19 116.67 119.05 3mjl s ASP 124 Ca 0.10 0.18 0.25 0.00 -0.52 0.00 0.00 52.55 52.55 3mjl s ASP 124 Cb -0.16 0.13 0.77 0.00 -1.46 0.00 0.00 42.92 42.21 3mjl s ASP 124 CO 0.11 -0.15 1.76 0.00 0.52 0.00 0.00 175.17 177.41 3mjl h ALA 125 N 2.26 0.96 -2.27 3.66 0.00 -1.69 -2.92 119.26 119.25 3mjl h ALA 125 Ca -0.12 -0.13 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 3mjl h ALA 125 Cb 1.18 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3mjl h ALA 125 CO 0.25 0.19 -0.68 -1.01 0.00 0.00 0.00 179.25 177.99 3mjl s HIS 126 N -3.45 2.57 -0.27 0.00 3.76 -1.26 -1.25 115.29 115.39 3mjl s HIS 126 Ca 0.03 -0.25 0.23 0.00 -0.15 0.00 0.00 55.06 54.91 3mjl s HIS 126 Cb 0.08 -1.14 0.01 0.00 1.11 0.00 0.00 32.58 32.64 3mjl s HIS 126 CO 0.64 0.64 1.04 0.25 -0.85 0.00 0.00 174.74 176.45 3mjl n THR 127 N -0.74 0.55 -4.04 1.30 -2.24 -1.26 -4.94 114.28 102.91 3mjl n THR 127 Ca -0.06 -0.51 -0.33 0.00 -2.27 0.00 0.00 64.05 60.87 3mjl n THR 127 Cb 0.59 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 3mjl n THR 127 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3mjl n ASP 128 N -2.58 -3.91 -0.12 3.42 8.00 -1.26 -4.74 116.55 115.36 3mjl n ASP 128 Ca 0.00 -0.87 0.09 0.00 0.71 0.00 0.00 54.79 54.73 3mjl n ASP 128 Cb 0.54 -3.17 0.14 0.00 -0.02 0.00 0.00 41.12 38.61 3mjl n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mjl n ILE 129 N -4.44 1.85 -1.86 0.53 3.06 -1.14 -0.79 119.36 116.58 3mjl n ILE 129 Ca 0.06 -2.27 -0.36 0.00 -2.50 0.00 0.00 62.75 57.68 3mjl n ILE 129 Cb 0.50 -0.22 0.05 0.00 0.54 0.00 0.00 39.64 40.52 3mjl n ILE 129 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 3mjl s ASN 130 N -2.85 4.86 0.34 9.51 0.01 -0.55 -4.38 114.94 121.89 3mjl s ASN 130 Ca 0.31 2.52 0.07 0.00 -0.71 0.00 0.00 52.86 55.05 3mjl s ASN 130 Cb 0.28 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 3mjl s ASN 130 CO 0.02 -1.83 0.48 0.42 -1.51 0.00 0.00 177.10 174.68 3mjl s THR 131 N -1.49 3.96 0.55 1.60 -4.23 -1.26 -4.36 115.64 110.41 3mjl s THR 131 Ca 0.80 -1.00 0.39 0.00 -1.18 0.00 0.00 61.69 60.70 3mjl s THR 131 Cb -0.34 -3.37 0.58 0.00 1.34 0.00 0.00 72.50 70.71 3mjl s THR 131 CO 0.37 -0.14 1.75 -0.65 -0.54 0.00 0.00 174.62 175.41 3mjl h PRO 132 N 0.87 0.00 0.00 3.99 0.11 -1.94 1.44 132.00 136.47 3mjl h PRO 132 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3mjl h PRO 132 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3mjl h PRO 132 CO 0.52 0.00 -1.15 1.28 -0.21 0.00 0.00 178.00 178.44 3mjl n LEU 133 N -4.09 0.59 -0.00 2.35 4.77 -1.26 -3.99 117.00 115.36 3mjl n LEU 133 Ca 0.28 -0.07 0.07 0.00 -0.03 0.00 0.00 56.01 56.26 3mjl n LEU 133 Cb 1.38 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 42.30 3mjl n LEU 133 CO 0.40 0.06 -0.13 0.35 -1.33 0.00 0.00 177.39 176.75 3mjl n THR 134 N -1.95 0.00 -1.86 -5.08 -2.24 0.19 -4.96 114.28 98.37 3mjl n THR 134 Ca 0.01 -0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 3mjl n THR 134 Cb 0.44 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3mjl n THR 134 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3mjl s THR 135 N -2.57 2.18 -0.13 4.28 -1.32 0.44 -4.77 115.64 113.76 3mjl s THR 135 Ca 0.04 0.18 0.17 0.00 -1.21 0.00 0.00 61.69 60.87 3mjl s THR 135 Cb 0.12 -3.11 -0.24 0.00 -1.51 0.00 0.00 72.50 67.76 3mjl s THR 135 CO 0.65 0.03 0.17 0.35 -2.21 0.00 0.00 174.62 173.61 3mjl n THR 136 N 0.24 0.85 0.04 5.08 -2.24 -1.26 -4.58 114.28 112.40 3mjl n THR 136 Ca 0.03 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 61.01 3mjl n THR 136 Cb 0.41 -0.35 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 3mjl n THR 136 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3mjl h SER 137 N 0.00 0.24 0.00 3.42 4.64 -1.94 -3.48 113.55 116.43 3mjl h SER 137 Ca -0.34 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 3mjl h SER 137 Cb 1.72 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3mjl h SER 137 CO 0.02 1.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 3mjl n GLY 138 N 1.62 1.94 3.68 -0.77 0.00 -1.26 -4.91 105.19 105.49 3mjl n GLY 138 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3mjl n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mjl s ASN 139 N -2.30 7.02 0.02 1.61 0.01 -1.26 -2.48 114.94 117.55 3mjl s ASN 139 Ca 0.00 1.78 0.17 0.00 -0.71 0.00 0.00 52.86 54.10 3mjl s ASN 139 Cb 0.00 -2.55 0.74 0.00 0.41 0.00 0.00 41.25 39.85 3mjl s ASN 139 CO 0.00 -0.63 1.56 0.18 -1.51 0.00 0.00 177.10 176.69 3mjl n LEU 140 N 5.59 0.05 0.00 0.60 4.77 0.16 -2.86 117.00 125.31 3mjl n LEU 140 Ca 0.12 0.51 0.10 0.00 -0.03 0.00 0.00 56.01 56.71 3mjl n LEU 140 Cb 0.46 -0.50 0.60 0.00 -2.33 0.00 0.00 43.42 41.65 3mjl n LEU 140 CO 0.55 -0.23 0.85 0.00 -1.33 0.00 0.00 177.39 177.23 3mjl n HIS 141 N -1.56 0.00 0.14 -1.77 1.44 0.52 -2.55 115.22 111.45 3mjl n HIS 141 Ca 0.04 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.78 3mjl n HIS 141 Cb 0.20 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.36 3mjl n HIS 141 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3mjl n GLY 142 N 0.65 0.28 0.00 -1.39 0.00 -1.14 -4.44 105.19 99.16 3mjl n GLY 142 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3mjl n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mjl n GLN 143 N 0.25 5.15 0.16 1.61 6.02 -1.06 -1.48 117.38 128.02 3mjl n GLN 143 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.14 3mjl n GLN 143 Cb 0.21 -0.62 0.62 0.00 1.02 0.00 0.00 30.24 31.48 3mjl n GLN 143 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3mjl h PRO 144 N 0.00 0.07 -0.19 -1.09 0.13 -1.52 -2.17 132.00 127.23 3mjl h PRO 144 Ca 0.00 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 3mjl h PRO 144 Cb 0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 3mjl h PRO 144 CO 0.00 0.05 -0.54 0.28 -0.23 0.00 0.00 178.00 177.56 3mjl h VAL 145 N 0.08 1.32 -0.18 1.56 2.07 -1.25 -2.76 116.25 117.08 3mjl h VAL 145 Ca 0.09 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 65.84 3mjl h VAL 145 Cb 0.26 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3mjl h VAL 145 CO -0.01 0.56 0.12 0.77 0.02 0.00 0.00 177.57 179.03 3mjl h SER 146 N 0.43 0.15 0.63 0.57 4.64 -1.51 -1.29 113.55 117.16 3mjl h SER 146 Ca 0.01 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3mjl h SER 146 Cb 1.09 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3mjl h SER 146 CO 0.10 0.11 -0.54 -0.26 -0.87 0.00 0.00 176.83 175.37 3mjl h PHE 147 N 0.18 0.00 0.00 4.77 -1.00 -1.54 -3.32 116.94 116.03 3mjl h PHE 147 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 3mjl h PHE 147 Cb 0.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.64 3mjl h PHE 147 CO -0.00 0.54 -0.94 1.28 -1.61 0.00 0.00 178.31 177.58 3mjl n LEU 148 N -3.79 0.76 -4.64 1.54 4.77 -0.51 -4.15 117.00 110.97 3mjl n LEU 148 Ca -0.01 0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.82 3mjl n LEU 148 Cb 0.57 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3mjl n LEU 148 CO 0.41 -0.12 0.33 -0.76 -1.33 0.00 0.00 177.39 175.92 3mjl s LEU 149 N -4.87 4.10 0.31 2.23 1.43 -1.07 -1.18 118.68 119.62 3mjl s LEU 149 Ca 0.01 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 3mjl s LEU 149 Cb 0.11 -2.81 0.65 0.00 0.03 0.00 0.00 46.19 44.18 3mjl s LEU 149 CO 0.78 -0.29 1.84 0.11 0.23 0.00 0.00 176.35 179.02 3mjl h LYS 150 N 7.70 0.86 0.00 1.70 1.57 -1.52 -0.89 116.57 125.99 3mjl h LYS 150 Ca -0.30 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3mjl h LYS 150 Cb 1.14 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3mjl h LYS 150 CO 0.76 0.57 0.00 0.93 -0.57 0.00 0.00 179.45 181.14 3mjl h GLU 151 N 0.89 0.00 -0.39 3.15 3.07 -1.93 -2.21 114.58 117.16 3mjl h GLU 151 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3mjl h GLU 151 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3mjl h GLU 151 CO -0.26 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.63 3mjl n LEU 152 N -2.40 3.26 -4.68 1.33 4.32 -0.34 -4.86 117.00 113.64 3mjl n LEU 152 Ca 0.01 -1.42 -0.47 0.00 -0.02 0.00 0.00 56.01 54.11 3mjl n LEU 152 Cb 0.21 -0.25 -0.04 0.00 -1.62 0.00 0.00 43.42 41.71 3mjl n LEU 152 CO 0.19 0.71 1.43 1.17 -1.22 0.00 0.00 177.39 179.67 3mjl n LYS 153 N 1.36 2.30 0.00 3.23 4.81 -0.83 -0.57 118.16 128.45 3mjl n LYS 153 Ca 0.19 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 3mjl n LYS 153 Cb 0.57 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.94 3mjl n LYS 153 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mjl n GLY 154 N 4.15 3.03 0.63 3.14 0.00 -1.26 -4.90 105.19 109.98 3mjl n GLY 154 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 3mjl n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mjl n LYS 155 N -1.39 2.02 -3.74 1.61 4.76 0.26 -4.86 118.16 116.82 3mjl n LYS 155 Ca 0.00 -1.77 -0.38 0.00 -2.87 0.00 0.00 58.31 53.29 3mjl n LYS 155 Cb 0.00 -1.28 -0.12 0.00 -1.84 0.00 0.00 35.03 31.79 3mjl n LYS 155 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3mjl s ILE 156 N -1.01 3.77 1.13 -0.18 -1.09 -1.22 -4.80 121.20 117.80 3mjl s ILE 156 Ca 0.21 -1.29 -0.14 0.00 -2.23 0.00 0.00 60.65 57.20 3mjl s ILE 156 Cb 0.12 -3.21 0.26 0.00 -1.58 0.00 0.00 42.46 38.05 3mjl s ILE 156 CO 0.17 -0.29 1.05 -2.84 -1.23 0.00 0.00 174.94 171.80 3mjl s PRO 157 N 1.37 -0.62 -0.76 2.79 0.02 -1.26 -4.85 135.00 131.68 3mjl s PRO 157 Ca -0.00 0.55 -0.27 0.00 0.02 0.00 0.00 61.00 61.30 3mjl s PRO 157 Cb -0.21 -1.61 0.03 0.00 0.02 0.00 0.00 34.50 32.73 3mjl s PRO 157 CO 0.02 -3.45 1.31 -0.51 -0.33 0.00 0.00 177.00 174.04 3mjl s ASP 158 N -3.06 6.17 -0.13 2.53 1.01 -1.26 -4.97 116.67 116.95 3mjl s ASP 158 Ca 0.67 -0.52 -0.27 0.00 0.71 0.00 0.00 52.55 53.14 3mjl s ASP 158 Cb -0.20 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.15 3mjl s ASP 158 CO 0.61 -1.82 0.90 -0.69 0.21 0.00 0.00 175.17 174.37 3mjl s VAL 159 N 5.76 4.85 0.33 -1.27 1.01 -1.26 -5.04 120.40 124.79 3mjl s VAL 159 Ca 0.37 1.80 -0.29 0.00 0.00 0.00 0.00 61.98 63.86 3mjl s VAL 159 Cb -0.07 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 3mjl s VAL 159 CO 0.13 0.04 1.54 -2.84 0.00 0.00 0.00 175.10 173.97 3mjl s PRO 160 N 1.95 4.12 0.00 2.72 0.02 -1.26 -1.64 135.00 140.90 3mjl s PRO 160 Ca 0.43 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.02 3mjl s PRO 160 Cb -0.17 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3mjl s PRO 160 CO 0.16 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 3mjl n GLY 161 N 1.33 0.48 0.04 0.52 0.00 -1.26 -3.02 105.19 103.28 3mjl n GLY 161 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 3mjl n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mjl n PHE 162 N -2.00 0.00 0.28 1.61 3.01 -0.65 -4.03 117.46 115.68 3mjl n PHE 162 Ca 0.00 -0.67 0.15 0.00 1.01 0.00 0.00 57.45 57.93 3mjl n PHE 162 Cb 0.00 -0.09 0.70 0.00 -0.01 0.00 0.00 39.48 40.09 3mjl n PHE 162 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3mjl h SER 163 N 0.00 0.00 0.75 4.37 4.64 -1.92 -0.24 113.55 121.15 3mjl h SER 163 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mjl h SER 163 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3mjl h SER 163 CO 0.00 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.29 3mjl n TRP 164 N -2.54 0.00 -2.91 4.77 4.27 -1.26 -4.87 117.44 114.89 3mjl n TRP 164 Ca -0.00 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 3mjl n TRP 164 Cb 0.14 -0.40 -0.06 0.00 -1.36 0.00 0.00 31.31 29.63 3mjl n TRP 164 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3mjl s VAL 165 N -2.80 4.34 -0.13 -1.67 1.01 -0.10 -5.04 120.40 116.00 3mjl s VAL 165 Ca 0.20 1.82 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 3mjl s VAL 165 Cb 0.18 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.40 3mjl s VAL 165 CO 0.47 0.49 -0.06 -0.89 0.00 0.00 0.00 175.10 175.11 3mjl s THR 166 N -0.97 0.99 -0.02 3.92 2.01 -1.26 -5.12 115.64 115.19 3mjl s THR 166 Ca 0.38 -0.39 -0.38 0.00 0.31 0.00 0.00 61.69 61.62 3mjl s THR 166 Cb -0.24 -1.09 -0.16 0.00 0.01 0.00 0.00 72.50 71.02 3mjl s THR 166 CO 0.28 0.25 1.46 -2.65 -0.69 0.00 0.00 174.62 173.27 3mjl n PRO 167 N 4.94 1.16 0.00 4.92 -0.02 -1.26 -4.88 135.00 139.86 3mjl n PRO 167 Ca -0.12 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3mjl n PRO 167 Cb 0.49 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3mjl n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mjl s ILE 169 N -0.36 0.10 0.31 0.00 -4.36 -0.75 -4.99 121.20 111.15 3mjl s ILE 169 Ca 0.00 -0.40 0.01 0.00 -0.26 0.00 0.00 60.65 60.01 3mjl s ILE 169 Cb 0.00 -0.16 -0.03 0.00 1.25 0.00 0.00 42.46 43.52 3mjl s ILE 169 CO 0.00 -0.19 0.49 -0.44 0.24 0.00 0.00 174.94 175.05 3mjl s SER 170 N -0.61 6.31 0.39 4.36 0.01 -1.26 -1.43 113.70 121.47 3mjl s SER 170 Ca -0.06 0.36 0.21 0.00 1.31 0.00 0.00 55.95 57.78 3mjl s SER 170 Cb -0.04 -1.99 1.24 0.00 0.21 0.00 0.00 66.02 65.44 3mjl s SER 170 CO -0.00 -0.22 1.65 0.00 0.41 0.00 0.00 173.24 175.08 3mjl h ALA 171 N 0.96 2.30 0.00 1.44 0.00 -1.96 0.16 119.26 122.16 3mjl h ALA 171 Ca -0.50 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3mjl h ALA 171 Cb 1.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3mjl h ALA 171 CO 0.62 -0.91 0.00 0.36 0.00 0.00 0.00 179.25 179.32 3mjl n LYS 172 N -4.89 0.22 -0.70 0.00 2.85 -1.26 -3.58 118.16 110.80 3mjl n LYS 172 Ca 0.34 0.02 0.09 0.00 -1.05 0.00 0.00 58.31 57.70 3mjl n LYS 172 Cb 1.17 -1.50 0.37 0.00 -0.65 0.00 0.00 35.03 34.42 3mjl n LYS 172 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3mjl n ASP 173 N -1.38 5.08 -4.09 -5.58 8.00 0.56 -4.91 116.55 114.22 3mjl n ASP 173 Ca 0.10 -2.61 -0.17 0.00 0.71 0.00 0.00 54.79 52.82 3mjl n ASP 173 Cb 0.27 -0.61 -0.13 0.00 -0.02 0.00 0.00 41.12 40.63 3mjl n ASP 173 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3mjl s ILE 174 N -2.15 0.83 -0.06 0.53 2.07 -1.23 -0.31 121.20 120.88 3mjl s ILE 174 Ca 0.52 -0.88 0.03 0.00 -1.41 0.00 0.00 60.65 58.91 3mjl s ILE 174 Cb 0.36 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 42.17 3mjl s ILE 174 CO 0.22 -0.08 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.34 3mjl s VAL 175 N -0.87 1.20 0.01 4.00 1.01 0.63 -4.05 120.40 122.33 3mjl s VAL 175 Ca -0.02 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 3mjl s VAL 175 Cb -0.07 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 3mjl s VAL 175 CO 0.01 0.36 0.42 -0.31 0.00 0.00 0.00 175.10 175.59 3mjl s TYR 176 N 0.47 3.74 -0.05 5.22 2.02 -1.03 -0.40 117.35 127.32 3mjl s TYR 176 Ca -0.11 1.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.62 3mjl s TYR 176 Cb -0.14 -2.31 0.02 0.00 -0.40 0.00 0.00 41.96 39.13 3mjl s TYR 176 CO 0.03 0.64 -0.06 0.42 -1.57 0.00 0.00 175.55 175.02 3mjl s ILE 177 N -1.08 0.65 0.00 2.71 1.01 -0.80 0.02 121.20 123.71 3mjl s ILE 177 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3mjl s ILE 177 Cb -0.17 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.65 3mjl s ILE 177 CO 0.14 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3mjl n GLY 178 N 4.04 1.05 3.77 6.18 0.00 -0.67 -1.68 105.19 117.88 3mjl n GLY 178 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3mjl n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mjl s LEU 179 N 0.00 4.29 0.00 0.99 1.43 -1.10 -3.99 118.68 120.30 3mjl s LEU 179 Ca 0.00 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 3mjl s LEU 179 Cb 0.00 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3mjl s LEU 179 CO 0.00 -0.72 0.00 -2.11 0.23 0.00 0.00 176.35 173.75 3mjl n ARG 180 N 0.38 0.00 -3.37 1.70 1.85 -0.41 -0.72 116.66 116.09 3mjl n ARG 180 Ca 0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.61 3mjl n ARG 180 Cb 0.43 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.74 3mjl n ARG 180 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3mjl n ASP 181 N 0.00 -0.54 -4.38 2.89 -0.08 -0.38 -5.05 116.55 109.01 3mjl n ASP 181 Ca 0.00 -2.39 -0.35 0.00 -1.51 0.00 0.00 54.79 50.54 3mjl n ASP 181 Cb 0.21 -0.51 -0.13 0.00 2.34 0.00 0.00 41.12 43.03 3mjl n ASP 181 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3mjl s VAL 182 N 0.04 3.56 0.98 5.18 1.01 -1.26 -4.50 120.40 125.41 3mjl s VAL 182 Ca 0.33 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 3mjl s VAL 182 Cb 0.04 -2.59 0.18 0.00 0.00 0.00 0.00 36.38 34.01 3mjl s VAL 182 CO -0.19 0.45 1.08 -1.81 0.00 0.00 0.00 175.10 174.62 3mjl s ASP 183 N 1.05 2.66 0.21 3.32 1.01 -1.26 -4.78 116.67 118.88 3mjl s ASP 183 Ca 0.01 1.45 -0.01 0.00 0.71 0.00 0.00 52.55 54.71 3mjl s ASP 183 Cb -0.15 -2.13 0.17 0.00 1.01 0.00 0.00 42.92 41.83 3mjl s ASP 183 CO 0.00 -3.14 1.53 -0.65 0.21 0.00 0.00 175.17 173.12 3mjl h PRO 184 N -1.90 0.46 -0.20 8.23 0.11 -1.99 -1.35 132.00 135.36 3mjl h PRO 184 Ca -0.53 -0.29 -0.13 0.00 0.11 0.00 0.00 66.00 65.16 3mjl h PRO 184 Cb 1.31 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 3mjl h PRO 184 CO 0.54 0.89 -0.43 0.78 -0.21 0.00 0.00 178.00 179.56 3mjl h GLY 185 N 1.17 0.54 0.99 -0.55 0.00 -1.93 -0.75 103.07 102.53 3mjl h GLY 185 Ca 0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 3mjl h GLY 185 CO 0.10 0.50 0.24 0.83 0.00 0.00 0.00 176.54 178.20 3mjl h GLU 186 N 0.40 0.52 -0.59 4.80 5.08 -1.87 -0.42 114.58 122.50 3mjl h GLU 186 Ca 0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3mjl h GLU 186 Cb 0.93 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 3mjl h GLU 186 CO 0.08 0.38 0.17 1.25 -1.00 0.00 0.00 179.01 179.90 3mjl h HIS 187 N 0.51 0.92 -0.37 4.33 2.76 -0.97 0.11 115.15 122.44 3mjl h HIS 187 Ca 0.14 -0.08 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 3mjl h HIS 187 Cb -0.01 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 28.64 3mjl h HIS 187 CO -0.04 0.75 0.09 -0.92 -1.30 0.00 0.00 177.93 176.51 3mjl h TYR 188 N 0.87 0.16 -0.55 5.26 3.20 -0.89 -1.44 116.97 123.57 3mjl h TYR 188 Ca 0.19 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3mjl h TYR 188 Cb 0.27 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3mjl h TYR 188 CO 0.02 0.05 0.21 0.82 -1.64 0.00 0.00 178.16 177.62 3mjl h ILE 189 N 0.23 1.20 0.33 1.81 2.04 0.13 0.40 117.51 123.66 3mjl h ILE 189 Ca 0.17 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3mjl h ILE 189 Cb 0.18 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3mjl h ILE 189 CO -0.21 0.25 -0.34 -0.07 0.00 0.00 0.00 178.15 177.78 3mjl h LEU 190 N 0.79 -0.93 -0.96 1.44 3.38 0.19 -1.21 115.31 118.02 3mjl h LEU 190 Ca 0.19 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 3mjl h LEU 190 Cb 0.16 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3mjl h LEU 190 CO -0.02 -0.48 -0.44 0.11 0.09 0.00 0.00 178.44 177.71 3mjl h LYS 191 N -0.70 0.18 -0.02 1.13 1.79 -1.20 0.92 116.57 118.66 3mjl h LYS 191 Ca -0.02 -0.09 -0.11 0.00 -2.18 0.00 0.00 60.65 58.25 3mjl h LYS 191 Cb 0.64 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.30 3mjl h LYS 191 CO -0.07 0.59 -0.43 1.15 -1.08 0.00 0.00 179.45 179.61 3mjl h THR 192 N 0.15 1.47 -0.30 -0.16 2.02 -0.64 -3.18 112.91 112.26 3mjl h THR 192 Ca 0.01 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.23 3mjl h THR 192 Cb 0.84 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 3mjl h THR 192 CO 0.06 0.56 0.00 0.18 0.37 0.00 0.00 175.52 176.69 3mjl n LEU 193 N -4.35 2.00 -3.73 2.58 4.77 -0.48 -4.95 117.00 112.85 3mjl n LEU 193 Ca -0.10 -0.94 -0.25 0.00 -0.03 0.00 0.00 56.01 54.69 3mjl n LEU 193 Cb 0.58 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3mjl n LEU 193 CO 0.43 0.47 0.13 0.61 -1.33 0.00 0.00 177.39 177.70 3mjl n GLY 194 N 1.15 -0.47 3.77 -0.72 0.00 -0.81 -4.78 105.19 103.33 3mjl n GLY 194 Ca 0.15 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 3mjl n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mjl s ILE 195 N -3.37 3.64 -0.09 -0.61 1.01 0.25 -4.89 121.20 117.15 3mjl s ILE 195 Ca 0.47 1.43 -0.26 0.00 0.00 0.00 0.00 60.65 62.28 3mjl s ILE 195 Cb -0.22 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 3mjl s ILE 195 CO 0.78 0.17 0.85 -0.75 0.00 0.00 0.00 174.94 176.00 3mjl s LYS 196 N -2.02 4.43 0.01 2.79 2.47 -1.26 -4.87 119.74 121.29 3mjl s LYS 196 Ca 0.52 1.13 -0.05 0.00 -1.56 0.00 0.00 55.97 56.01 3mjl s LYS 196 Cb -0.26 -3.50 -0.01 0.00 -1.46 0.00 0.00 37.83 32.60 3mjl s LYS 196 CO 0.33 -0.13 0.08 1.52 0.16 0.00 0.00 175.35 177.30 3mjl s TYR 197 N 1.42 0.13 -0.39 4.03 -0.85 -1.26 -2.47 117.35 117.96 3mjl s TYR 197 Ca 0.43 -0.30 0.04 0.00 -0.52 0.00 0.00 57.07 56.72 3mjl s TYR 197 Cb -0.18 -0.10 0.11 0.00 0.38 0.00 0.00 41.96 42.16 3mjl s TYR 197 CO 0.19 -0.26 0.11 -0.06 -1.52 0.00 0.00 175.55 174.01 3mjl s PHE 198 N -1.48 3.59 0.94 -3.49 0.40 0.10 -4.94 117.98 113.10 3mjl s PHE 198 Ca -0.15 -3.05 -0.14 0.00 -0.60 0.00 0.00 56.93 52.99 3mjl s PHE 198 Cb -0.08 -2.89 0.16 0.00 0.51 0.00 0.00 43.02 40.72 3mjl s PHE 198 CO 0.00 -0.89 1.20 -1.54 0.70 0.00 0.00 175.22 174.70 3mjl s SER 199 N 0.58 3.30 0.55 1.36 1.04 -1.26 -1.68 113.70 117.59 3mjl s SER 199 Ca 0.13 0.65 0.23 0.00 0.48 0.00 0.00 55.95 57.44 3mjl s SER 199 Cb -0.21 -1.00 1.51 0.00 0.10 0.00 0.00 66.02 66.43 3mjl s SER 199 CO -0.06 -2.65 2.17 0.24 0.98 0.00 0.00 173.24 173.92 3mjl h MET 200 N -1.58 0.00 -0.51 4.02 2.86 -1.15 0.60 114.93 119.17 3mjl h MET 200 Ca -0.47 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.22 3mjl h MET 200 Cb 1.30 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.91 3mjl h MET 200 CO 0.52 0.00 0.25 1.15 1.06 0.00 0.00 176.91 179.88 3mjl h THR 201 N 0.00 0.94 -0.10 2.22 2.02 -1.91 0.49 112.91 116.56 3mjl h THR 201 Ca 0.03 -0.16 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 3mjl h THR 201 Cb 0.12 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3mjl h THR 201 CO -0.00 0.09 -0.65 -0.33 0.37 0.00 0.00 175.52 175.00 3mjl h GLU 202 N 0.48 0.40 -0.23 6.66 3.07 -1.25 0.69 114.58 124.39 3mjl h GLU 202 Ca 0.23 -0.29 -0.12 0.00 -0.50 0.00 0.00 59.36 58.67 3mjl h GLU 202 Cb 0.15 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3mjl h GLU 202 CO -0.17 0.91 -0.37 0.28 -1.40 0.00 0.00 179.01 178.26 3mjl h VAL 203 N 0.29 1.29 -0.26 3.13 2.07 -1.06 0.74 116.25 122.46 3mjl h VAL 203 Ca -0.01 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 65.89 3mjl h VAL 203 Cb 1.20 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3mjl h VAL 203 CO 0.11 0.47 -0.27 0.44 0.02 0.00 0.00 177.57 178.35 3mjl h ASP 204 N 0.43 0.68 0.44 0.57 3.32 -0.65 -0.74 116.42 120.47 3mjl h ASP 204 Ca 0.04 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 3mjl h ASP 204 Cb 0.85 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3mjl h ASP 204 CO 0.07 1.02 -0.21 -0.09 -1.72 0.00 0.00 179.24 178.30 3mjl h ARG 205 N 0.35 -0.57 0.00 3.56 2.43 -0.77 -3.37 114.38 116.00 3mjl h ARG 205 Ca 0.04 0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.98 3mjl h ARG 205 Cb 0.83 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 3mjl h ARG 205 CO 0.07 -0.34 -2.09 1.28 -1.51 0.00 0.00 179.97 177.38 3mjl n LEU 206 N -5.31 0.24 0.00 3.80 4.77 0.24 -5.08 117.00 115.66 3mjl n LEU 206 Ca -0.11 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3mjl n LEU 206 Cb 0.27 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3mjl n LEU 206 CO 0.35 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3mjl n GLY 207 N 1.59 1.41 0.25 -0.72 0.00 -0.28 -4.40 105.19 103.04 3mjl n GLY 207 Ca -0.22 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.18 3mjl n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mjl h ILE 208 N 0.00 0.75 0.54 -0.61 6.09 -1.93 -2.18 117.51 120.17 3mjl h ILE 208 Ca 0.00 -0.59 -0.03 0.00 -1.37 0.00 0.00 64.86 62.87 3mjl h ILE 208 Cb 0.00 1.36 0.01 0.00 0.47 0.00 0.00 36.82 38.65 3mjl h ILE 208 CO 0.00 0.15 -0.26 1.23 -3.07 0.00 0.00 178.15 176.20 3mjl h GLY 209 N 0.78 -0.75 1.33 8.18 0.00 -1.96 -1.42 103.07 109.23 3mjl h GLY 209 Ca -0.00 0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 3mjl h GLY 209 CO 0.02 -0.27 0.07 1.70 0.00 0.00 0.00 176.54 178.06 3mjl h LYS 210 N -0.75 0.83 -0.46 4.80 1.63 -1.73 -0.95 116.57 119.94 3mjl h LYS 210 Ca -0.07 -0.19 0.05 0.00 -0.85 0.00 0.00 60.65 59.59 3mjl h LYS 210 Cb 0.56 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.04 3mjl h LYS 210 CO 0.12 0.78 0.19 0.28 -3.45 0.00 0.00 179.45 177.37 3mjl h VAL 211 N 0.78 0.89 -0.17 2.00 2.07 -1.23 -0.05 116.25 120.54 3mjl h VAL 211 Ca 0.16 -0.13 -0.22 0.00 0.82 0.00 0.00 66.70 67.34 3mjl h VAL 211 Cb 0.37 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3mjl h VAL 211 CO 0.01 0.07 -0.74 0.24 0.02 0.00 0.00 177.57 177.17 3mjl h MET 212 N 0.38 0.81 -0.17 1.57 2.86 -1.00 0.16 114.93 119.55 3mjl h MET 212 Ca 0.21 -0.64 0.03 0.00 -2.06 0.00 0.00 59.70 57.24 3mjl h MET 212 Cb 0.18 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 3mjl h MET 212 CO -0.19 1.25 -0.42 1.49 1.06 0.00 0.00 176.91 180.09 3mjl h GLU 213 N 0.55 -0.39 -0.67 1.72 4.81 -0.76 -0.85 114.58 118.99 3mjl h GLU 213 Ca -0.04 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3mjl h GLU 213 Cb 1.37 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.81 3mjl h GLU 213 CO 0.15 -0.26 0.26 0.93 -0.73 0.00 0.00 179.01 179.36 3mjl h GLU 214 N -0.41 0.99 -0.15 1.92 5.08 -0.97 -1.33 114.58 119.69 3mjl h GLU 214 Ca 0.03 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3mjl h GLU 214 Cb 0.51 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3mjl h GLU 214 CO -0.38 0.81 -0.05 1.15 -1.00 0.00 0.00 179.01 179.55 3mjl h THR 215 N 0.97 0.83 -0.37 1.13 2.02 -0.30 0.23 112.91 117.42 3mjl h THR 215 Ca 0.22 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.34 3mjl h THR 215 Cb 0.20 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3mjl h THR 215 CO -0.02 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.78 3mjl h LEU 216 N -0.01 0.66 -0.33 2.58 3.38 -1.00 -1.94 115.31 118.64 3mjl h LEU 216 Ca 0.08 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3mjl h LEU 216 Cb 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3mjl h LEU 216 CO -0.17 0.82 0.17 -1.28 0.09 0.00 0.00 178.44 178.07 3mjl h SER 217 N 0.48 0.24 -0.75 -0.43 0.87 -1.12 0.61 113.55 113.45 3mjl h SER 217 Ca 0.10 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.77 3mjl h SER 217 Cb 0.50 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.36 3mjl h SER 217 CO 0.02 0.18 0.40 0.22 -0.53 0.00 0.00 176.83 177.13 3mjl h TYR 218 N 0.34 0.73 0.00 2.24 3.20 -0.37 0.26 116.97 123.37 3mjl h TYR 218 Ca 0.14 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.76 3mjl h TYR 218 Cb 0.05 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.06 3mjl h TYR 218 CO -0.10 0.28 -1.61 -0.07 -1.64 0.00 0.00 178.16 175.02 3mjl h LEU 219 N 0.68 0.00 -1.31 2.82 3.38 -0.88 -3.41 115.31 116.59 3mjl h LEU 219 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3mjl h LEU 219 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3mjl h LEU 219 CO -0.25 0.96 0.00 0.18 0.09 0.00 0.00 178.44 179.42 3mjl n LEU 220 N -3.06 1.52 -0.13 1.67 4.77 0.21 -4.73 117.00 117.25 3mjl n LEU 220 Ca -0.15 -1.06 -0.03 0.00 -0.03 0.00 0.00 56.01 54.75 3mjl n LEU 220 Cb 1.02 -0.01 0.18 0.00 -2.33 0.00 0.00 43.42 42.29 3mjl n LEU 220 CO 0.45 0.33 0.96 1.23 -1.33 0.00 0.00 177.39 179.02 3mjl h GLY 221 N 1.08 0.89 1.35 -0.72 0.00 -0.61 -1.87 103.07 103.20 3mjl h GLY 221 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 3mjl h GLY 221 CO 0.00 0.49 -0.50 -0.09 0.00 0.00 0.00 176.54 176.45 3mjl h ARG 222 N 0.79 0.69 0.00 4.80 2.43 -1.85 -3.47 114.38 117.77 3mjl h ARG 222 Ca 0.17 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3mjl h ARG 222 Cb 0.33 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3mjl h ARG 222 CO 0.00 1.03 0.00 0.36 -1.51 0.00 0.00 179.97 179.85 3mjl n LYS 223 N -4.00 0.00 -1.37 0.20 2.85 -0.70 -5.14 118.16 110.00 3mjl n LYS 223 Ca -0.03 0.00 -0.46 0.00 -1.05 0.00 0.00 58.31 56.77 3mjl n LYS 223 Cb 0.59 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.95 3mjl n LYS 223 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3mjl n LYS 224 N -0.14 0.00 -3.44 -1.58 4.01 -1.23 -4.62 118.16 111.16 3mjl n LYS 224 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 3mjl n LYS 224 Cb 0.00 -1.00 -0.02 0.00 -0.51 0.00 0.00 35.03 33.50 3mjl n LYS 224 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 3mjl s ARG 225 N -1.00 1.15 0.45 1.97 1.70 -1.26 -5.07 118.95 116.88 3mjl s ARG 225 Ca 0.62 -0.42 -0.24 0.00 -0.47 0.00 0.00 55.73 55.22 3mjl s ARG 225 Cb -0.83 0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 34.01 3mjl s ARG 225 CO 0.58 -0.50 1.29 -2.14 -1.08 0.00 0.00 175.30 173.45 3mjl s PRO 226 N -3.56 3.74 -0.10 3.89 0.02 -1.26 -4.78 135.00 132.94 3mjl s PRO 226 Ca 0.02 2.10 -0.00 0.00 0.02 0.00 0.00 61.00 63.14 3mjl s PRO 226 Cb -0.01 -2.57 -0.02 0.00 0.02 0.00 0.00 34.50 31.91 3mjl s PRO 226 CO -0.12 -0.66 -0.09 0.42 -0.33 0.00 0.00 177.00 176.22 3mjl s ILE 227 N -1.33 3.44 -0.32 2.83 1.01 -0.69 0.05 121.20 126.18 3mjl s ILE 227 Ca 0.62 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.63 3mjl s ILE 227 Cb -0.37 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.68 3mjl s ILE 227 CO 0.46 0.55 0.14 -2.28 0.00 0.00 0.00 174.94 173.81 3mjl s HIS 228 N -0.18 3.19 -0.32 3.97 5.65 -0.33 0.63 115.29 127.91 3mjl s HIS 228 Ca 0.01 -0.79 -0.12 0.00 0.25 0.00 0.00 55.06 54.41 3mjl s HIS 228 Cb -0.13 -2.34 -0.03 0.00 -1.18 0.00 0.00 32.58 28.89 3mjl s HIS 228 CO 0.03 -0.54 0.22 -1.17 -0.65 0.00 0.00 174.74 172.63 3mjl s LEU 229 N 1.56 4.32 -0.42 8.88 2.96 0.25 -1.59 118.68 134.65 3mjl s LEU 229 Ca 0.03 -0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 53.59 3mjl s LEU 229 Cb -0.18 -2.13 0.07 0.00 0.50 0.00 0.00 46.19 44.45 3mjl s LEU 229 CO 0.05 -0.16 0.26 -0.55 -1.32 0.00 0.00 176.35 174.63 3mjl s SER 230 N 1.74 5.69 -0.31 3.68 0.15 0.42 -0.61 113.70 124.46 3mjl s SER 230 Ca 0.07 -1.42 -0.09 0.00 0.70 0.00 0.00 55.95 55.21 3mjl s SER 230 Cb -0.17 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.13 3mjl s SER 230 CO 0.11 -0.52 0.14 0.12 1.20 0.00 0.00 173.24 174.28 3mjl s PHE 231 N 1.46 3.17 -0.29 3.44 2.19 -0.29 -1.56 117.98 126.11 3mjl s PHE 231 Ca 0.03 -0.63 -0.14 0.00 0.33 0.00 0.00 56.93 56.52 3mjl s PHE 231 Cb -0.23 -2.34 -0.04 0.00 -1.31 0.00 0.00 43.02 39.11 3mjl s PHE 231 CO 0.03 -0.47 0.31 0.34 1.83 0.00 0.00 175.22 177.26 3mjl s ASP 232 N 1.60 6.16 0.12 6.13 -1.08 -0.34 -1.19 116.67 128.06 3mjl s ASP 232 Ca 0.04 0.09 0.13 0.00 -0.52 0.00 0.00 52.55 52.30 3mjl s ASP 232 Cb -0.17 -2.18 0.62 0.00 -1.46 0.00 0.00 42.92 39.73 3mjl s ASP 232 CO 0.06 -0.16 1.41 1.33 0.52 0.00 0.00 175.17 178.32 3mjl n VAL 233 N 5.12 1.28 1.76 1.11 0.24 -0.61 -0.07 118.33 127.15 3mjl n VAL 233 Ca -0.10 0.42 0.13 0.00 -2.04 0.00 0.00 64.34 62.75 3mjl n VAL 233 Cb 0.51 -1.34 0.80 0.00 -1.47 0.00 0.00 33.84 32.34 3mjl n VAL 233 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3mjl n ASP 234 N -1.80 0.00 -0.02 -1.34 3.85 -1.26 -2.79 116.55 113.19 3mjl n ASP 234 Ca 0.01 -0.92 -0.09 0.00 -0.71 0.00 0.00 54.79 53.08 3mjl n ASP 234 Cb 0.10 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 39.93 3mjl n ASP 234 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3mjl h GLY 235 N 4.44 0.67 -1.63 6.12 0.00 -0.74 -3.33 103.07 108.60 3mjl h GLY 235 Ca 0.00 -0.73 -0.50 0.00 0.00 0.00 0.00 47.33 46.10 3mjl h GLY 235 CO 0.00 0.65 0.37 1.08 0.00 0.00 0.00 176.54 178.65 3mjl s LEU 236 N -8.49 3.38 0.42 3.11 1.43 -1.12 -2.73 118.68 114.68 3mjl s LEU 236 Ca -0.08 1.84 -0.26 0.00 -1.03 0.00 0.00 54.13 54.60 3mjl s LEU 236 Cb 0.12 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.72 3mjl s LEU 236 CO 0.84 -1.41 1.39 -0.62 0.23 0.00 0.00 176.35 176.78 3mjl s ASP 237 N -2.92 6.12 0.53 2.29 -1.08 -0.50 -4.68 116.67 116.43 3mjl s ASP 237 Ca 0.63 2.84 0.29 0.00 -0.52 0.00 0.00 52.55 55.80 3mjl s ASP 237 Cb -0.17 -2.65 1.59 0.00 -1.46 0.00 0.00 42.92 40.23 3mjl s ASP 237 CO 0.42 -1.00 1.88 -0.65 0.52 0.00 0.00 175.17 176.34 3mjl h PRO 238 N 2.58 0.00 0.00 4.34 0.11 -1.82 0.31 132.00 137.52 3mjl h PRO 238 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mjl h PRO 238 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3mjl h PRO 238 CO 0.62 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 3mjl n SER 239 N -2.65 0.61 -0.05 -2.05 3.41 -1.26 -2.25 113.62 109.38 3mjl n SER 239 Ca -0.02 0.67 -0.06 0.00 -0.26 0.00 0.00 58.87 59.21 3mjl n SER 239 Cb 0.21 -0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 3mjl n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3mjl n PHE 240 N -2.20 0.00 -3.21 7.33 3.72 0.10 -4.84 117.46 118.37 3mjl n PHE 240 Ca 0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 3mjl n PHE 240 Cb 0.18 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.25 3mjl n PHE 240 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3mjl n THR 241 N -2.58 0.52 -0.18 4.37 -2.24 -0.78 -3.76 114.28 109.63 3mjl n THR 241 Ca -0.16 -4.58 -0.05 0.00 -2.27 0.00 0.00 64.05 56.98 3mjl n THR 241 Cb 0.73 -1.56 0.12 0.00 -2.10 0.00 0.00 70.33 67.52 3mjl n THR 241 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3mjl h PRO 242 N 3.71 0.97 -5.62 -0.78 0.13 -1.71 -3.38 132.00 125.32 3mjl h PRO 242 Ca 0.11 -0.23 -0.52 0.00 -0.87 0.00 0.00 66.00 64.50 3mjl h PRO 242 Cb 0.81 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 3mjl h PRO 242 CO 0.59 0.88 1.69 0.00 -0.23 0.00 0.00 178.00 180.94 3mjl n ALA 243 N -2.46 2.76 -3.42 -0.56 0.00 -1.26 -4.77 120.51 110.79 3mjl n ALA 243 Ca 0.04 -3.45 -0.16 0.00 0.00 0.00 0.00 53.44 49.87 3mjl n ALA 243 Cb 0.26 -3.55 -0.07 0.00 0.00 0.00 0.00 19.45 16.10 3mjl n ALA 243 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3mjl s THR 244 N 7.46 0.02 0.19 0.00 -1.32 -1.26 -0.94 115.64 119.78 3mjl s THR 244 Ca 0.61 -0.15 -0.08 0.00 -1.21 0.00 0.00 61.69 60.86 3mjl s THR 244 Cb 0.02 -0.90 0.05 0.00 -1.51 0.00 0.00 72.50 70.17 3mjl s THR 244 CO 0.10 -0.08 1.63 1.23 -2.21 0.00 0.00 174.62 175.29 3mjl h GLY 245 N 3.20 1.10 -6.03 6.08 0.00 -1.87 -3.37 103.07 102.18 3mjl h GLY 245 Ca -0.28 -0.85 -0.57 0.00 0.00 0.00 0.00 47.33 45.63 3mjl h GLY 245 CO 0.39 0.78 -0.89 -1.30 0.00 0.00 0.00 176.54 175.52 3mjl n THR 246 N -4.16 0.75 -2.31 4.70 -2.24 -1.26 -5.10 114.28 104.66 3mjl n THR 246 Ca 0.02 -4.62 -0.34 0.00 -2.27 0.00 0.00 64.05 56.84 3mjl n THR 246 Cb 0.38 -1.84 -0.01 0.00 -2.10 0.00 0.00 70.33 66.76 3mjl n THR 246 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3mjl s PRO 247 N -1.92 3.53 -0.03 -0.78 0.04 -1.26 -4.94 135.00 129.64 3mjl s PRO 247 Ca 0.38 1.38 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 3mjl s PRO 247 Cb 0.18 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.70 3mjl s PRO 247 CO -0.07 -0.66 0.05 0.08 0.04 0.00 0.00 177.00 176.43 3mjl s VAL 248 N -2.07 -0.06 0.99 -0.36 1.01 -1.26 -5.07 120.40 113.57 3mjl s VAL 248 Ca 0.68 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.76 3mjl s VAL 248 Cb -0.18 -0.10 0.18 0.00 0.00 0.00 0.00 36.38 36.28 3mjl s VAL 248 CO 0.27 0.09 1.09 0.68 0.00 0.00 0.00 175.10 177.23 3mjl s VAL 249 N 1.15 2.23 -0.24 2.92 -7.23 -1.26 -4.09 120.40 113.87 3mjl s VAL 249 Ca -0.08 0.07 -0.01 0.00 -1.81 0.00 0.00 61.98 60.15 3mjl s VAL 249 Cb -0.13 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.29 3mjl s VAL 249 CO -0.03 -0.10 0.13 0.61 -0.31 0.00 0.00 175.10 175.40 3mjl n GLY 250 N -0.91 0.55 2.73 2.32 0.00 -1.26 -5.02 105.19 103.60 3mjl n GLY 250 Ca 0.06 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 3mjl n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mjl n GLY 251 N -0.83 0.25 3.72 -0.02 0.00 -1.26 -4.97 105.19 102.08 3mjl n GLY 251 Ca -0.01 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 3mjl n GLY 251 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mjl n LEU 252 N 0.00 3.85 -4.78 0.99 4.77 -1.11 -4.37 117.00 116.35 3mjl n LEU 252 Ca 0.12 1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 56.95 3mjl n LEU 252 Cb 0.41 -1.53 0.12 0.00 -2.33 0.00 0.00 43.42 40.09 3mjl n LEU 252 CO 0.28 -0.10 0.70 0.42 -1.33 0.00 0.00 177.39 177.36 3mjl s THR 253 N -0.01 2.57 0.22 -5.08 -4.23 -1.26 -1.40 115.64 106.45 3mjl s THR 253 Ca 0.66 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 61.23 3mjl s THR 253 Cb -0.56 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 70.68 3mjl s THR 253 CO 0.49 -0.24 1.61 0.22 -0.54 0.00 0.00 174.62 176.16 3mjl h TYR 254 N -1.34 -0.38 0.10 3.99 3.20 -1.95 0.22 116.97 120.79 3mjl h TYR 254 Ca -0.49 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 3mjl h TYR 254 Cb 1.30 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.85 3mjl h TYR 254 CO 0.39 -0.31 -0.05 0.00 -1.64 0.00 0.00 178.16 176.55 3mjl h ARG 255 N -0.00 -0.13 -0.72 1.82 3.08 -1.99 -2.12 114.38 114.32 3mjl h ARG 255 Ca 0.34 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.45 3mjl h ARG 255 Cb 0.52 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 3mjl h ARG 255 CO -0.73 0.03 0.42 0.93 -1.07 0.00 0.00 179.97 179.55 3mjl h GLU 256 N -0.26 0.77 -0.66 0.04 5.08 -1.81 0.20 114.58 117.94 3mjl h GLU 256 Ca -0.01 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3mjl h GLU 256 Cb 0.21 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 3mjl h GLU 256 CO 0.02 0.51 0.31 0.78 -1.00 0.00 0.00 179.01 179.63 3mjl h GLY 257 N 0.79 0.96 1.92 -3.84 0.00 -0.39 -0.06 103.07 102.45 3mjl h GLY 257 Ca 0.31 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.30 3mjl h GLY 257 CO -0.16 0.06 -0.69 1.41 0.00 0.00 0.00 176.54 177.16 3mjl h LEU 258 N 0.55 0.09 -0.10 3.11 3.38 -0.85 -3.14 115.31 118.34 3mjl h LEU 258 Ca 0.32 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3mjl h LEU 258 Cb 0.32 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3mjl h LEU 258 CO -0.25 0.75 -0.04 0.22 0.09 0.00 0.00 178.44 179.21 3mjl h TYR 259 N 0.05 0.24 -0.83 1.13 3.20 -0.02 -1.33 116.97 119.41 3mjl h TYR 259 Ca -0.01 -0.05 0.18 0.00 3.14 0.00 0.00 58.73 61.98 3mjl h TYR 259 Cb 1.22 -0.06 -0.11 0.00 1.54 0.00 0.00 36.73 39.32 3mjl h TYR 259 CO 0.01 0.54 0.34 0.82 -1.64 0.00 0.00 178.16 178.23 3mjl h ILE 260 N -0.13 0.57 0.01 1.81 2.04 -1.03 -1.41 117.51 119.37 3mjl h ILE 260 Ca 0.02 -0.15 -0.29 0.00 1.00 0.00 0.00 64.86 65.45 3mjl h ILE 260 Cb 0.47 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3mjl h ILE 260 CO 0.01 0.08 -1.64 0.71 0.00 0.00 0.00 178.15 177.31 3mjl h THR 261 N 0.43 0.93 -0.67 -0.27 1.35 -1.49 -2.52 112.91 110.67 3mjl h THR 261 Ca 0.49 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 3mjl h THR 261 Cb 0.83 2.48 -0.03 0.00 -1.73 0.00 0.00 68.15 69.70 3mjl h THR 261 CO -0.47 0.57 0.43 -0.33 -0.25 0.00 0.00 175.52 175.47 3mjl h GLU 262 N 0.01 0.89 -0.44 4.72 5.08 -1.02 0.14 114.58 123.96 3mjl h GLU 262 Ca -0.26 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 57.89 3mjl h GLU 262 Cb 1.99 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 3mjl h GLU 262 CO 0.09 0.61 -0.30 0.93 -1.00 0.00 0.00 179.01 179.33 3mjl h GLU 263 N 0.91 0.97 -0.58 2.33 4.39 -1.27 -1.40 114.58 119.92 3mjl h GLU 263 Ca 0.24 -0.46 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 3mjl h GLU 263 Cb -0.08 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 3mjl h GLU 263 CO -0.05 1.13 0.25 0.82 -1.16 0.00 0.00 179.01 180.00 3mjl h ILE 264 N 0.81 1.22 -0.41 3.13 2.04 -1.20 -2.50 117.51 120.60 3mjl h ILE 264 Ca 0.09 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.35 3mjl h ILE 264 Cb 0.89 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3mjl h ILE 264 CO 0.08 0.26 0.01 0.22 0.00 0.00 0.00 178.15 178.73 3mjl h TYR 265 N 0.80 0.00 0.00 1.37 3.20 -0.50 -1.63 116.97 120.22 3mjl h TYR 265 Ca 0.20 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3mjl h TYR 265 Cb 0.18 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 3mjl h TYR 265 CO 0.01 -0.07 -0.01 0.87 -1.64 0.00 0.00 178.16 177.32 3mjl h LYS 266 N 0.12 0.00 -0.17 1.82 1.57 -0.83 -1.29 116.57 117.79 3mjl h LYS 266 Ca 0.20 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3mjl h LYS 266 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3mjl h LYS 266 CO -0.32 0.01 0.12 1.79 -0.57 0.00 0.00 179.45 180.47 3mjl h THR 267 N 0.00 1.00 0.00 -0.16 1.35 -0.97 -3.45 112.91 110.68 3mjl h THR 267 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3mjl h THR 267 Cb 0.16 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3mjl h THR 267 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3mjl n GLY 268 N -1.53 0.69 0.45 5.82 0.00 -0.49 -4.88 105.19 105.25 3mjl n GLY 268 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3mjl n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mjl n LEU 269 N 0.00 2.38 -4.67 0.99 4.77 -1.26 -4.99 117.00 114.21 3mjl n LEU 269 Ca 0.00 -1.65 -0.46 0.00 -0.03 0.00 0.00 56.01 53.86 3mjl n LEU 269 Cb 0.02 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3mjl n LEU 269 CO 0.00 0.56 1.27 -0.11 -1.33 0.00 0.00 177.39 177.78 3mjl n LEU 270 N 0.36 3.20 0.00 2.23 7.94 -1.26 -1.70 117.00 127.76 3mjl n LEU 270 Ca 0.08 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3mjl n LEU 270 Cb 0.33 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 42.86 3mjl n LEU 270 CO 0.06 -0.23 -0.38 -0.24 -1.11 0.00 0.00 177.39 175.49 3mjl n SER 271 N 4.23 3.83 -3.76 1.96 2.88 0.21 -4.81 113.62 118.16 3mjl n SER 271 Ca 0.18 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.60 3mjl n SER 271 Cb 0.29 0.53 -0.12 0.00 -0.75 0.00 0.00 64.21 64.16 3mjl n SER 271 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3mjl s GLY 272 N -2.16 -0.19 -0.01 0.46 0.00 -0.79 -2.66 107.32 101.96 3mjl s GLY 272 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 44.72 45.64 3mjl s GLY 272 CO 0.00 0.91 -0.12 -2.27 0.00 0.00 0.00 173.10 171.61 3mjl s LEU 273 N 0.56 2.01 -0.09 0.66 2.96 -0.09 0.88 118.68 125.57 3mjl s LEU 273 Ca -0.03 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3mjl s LEU 273 Cb -0.05 -0.64 0.00 0.00 0.50 0.00 0.00 46.19 46.00 3mjl s LEU 273 CO -0.03 0.15 -0.21 -1.81 -1.32 0.00 0.00 176.35 173.13 3mjl s ASP 274 N -0.26 2.75 -0.30 3.68 1.01 0.22 -1.14 116.67 122.64 3mjl s ASP 274 Ca 0.04 -0.49 0.02 0.00 0.71 0.00 0.00 52.55 52.83 3mjl s ASP 274 Cb -0.05 -1.23 0.07 0.00 1.01 0.00 0.00 42.92 42.72 3mjl s ASP 274 CO -0.00 0.13 -0.03 -0.63 0.21 0.00 0.00 175.17 174.85 3mjl s ILE 275 N 0.39 2.41 0.15 0.77 -1.09 -0.23 -1.13 121.20 122.46 3mjl s ILE 275 Ca -0.17 -1.81 0.07 0.00 -2.23 0.00 0.00 60.65 56.51 3mjl s ILE 275 Cb -0.17 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 3mjl s ILE 275 CO 0.07 -0.24 -0.15 -0.04 -1.23 0.00 0.00 174.94 173.36 3mjl s MET 276 N 1.08 1.14 -0.40 2.79 -1.94 -0.33 -0.41 119.30 121.22 3mjl s MET 276 Ca -0.02 -1.34 0.00 0.00 -1.71 0.00 0.00 55.69 52.62 3mjl s MET 276 Cb -0.20 -1.04 0.00 0.00 2.01 0.00 0.00 34.83 35.60 3mjl s MET 276 CO -0.05 0.20 0.00 0.39 -0.01 0.00 0.00 175.02 175.55 3mjl n GLU 277 N 0.31 -0.49 -2.42 2.03 -0.58 -0.85 -1.58 120.64 117.06 3mjl n GLU 277 Ca -0.14 0.50 -0.42 0.00 -0.42 0.00 0.00 57.16 56.68 3mjl n GLU 277 Cb 0.58 -4.14 -0.03 0.00 -0.57 0.00 0.00 31.44 27.28 3mjl n GLU 277 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3mjl s VAL 278 N -2.03 4.20 -0.40 2.62 1.01 -1.26 -4.28 120.40 120.26 3mjl s VAL 278 Ca 0.00 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.51 3mjl s VAL 278 Cb 0.00 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.53 3mjl s VAL 278 CO 0.00 -0.03 0.20 0.21 0.00 0.00 0.00 175.10 175.48 3mjl s ASN 279 N 1.66 3.71 0.39 3.32 3.84 -0.12 -4.34 114.94 123.40 3mjl s ASN 279 Ca 0.57 -2.37 0.07 0.00 0.21 0.00 0.00 52.86 51.34 3mjl s ASN 279 Cb -0.25 -0.96 0.78 0.00 -0.55 0.00 0.00 41.25 40.26 3mjl s ASN 279 CO 0.21 -0.30 1.96 -0.65 -2.79 0.00 0.00 177.10 175.52 3mjl h PRO 280 N 7.06 0.42 0.00 0.43 0.11 -1.78 -0.63 132.00 137.60 3mjl h PRO 280 Ca -0.03 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3mjl h PRO 280 Cb 0.95 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3mjl h PRO 280 CO 0.46 0.41 0.00 -1.13 -0.21 0.00 0.00 178.00 177.53 3mjl n SER 281 N -4.36 0.14 -0.95 -2.05 3.41 -1.26 -1.49 113.62 107.06 3mjl n SER 281 Ca 0.01 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 3mjl n SER 281 Cb 0.18 -0.57 0.12 0.00 -0.26 0.00 0.00 64.21 63.67 3mjl n SER 281 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mjl n LEU 282 N -1.67 3.00 -4.77 1.04 4.77 -0.24 -4.92 117.00 114.20 3mjl n LEU 282 Ca 0.01 -1.09 -0.37 0.00 -0.03 0.00 0.00 56.01 54.53 3mjl n LEU 282 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3mjl n LEU 282 CO 0.08 0.53 0.86 -0.83 -1.33 0.00 0.00 177.39 176.71 3mjl s GLY 283 N -1.82 2.80 0.02 -0.72 0.00 -0.55 -4.66 107.32 102.39 3mjl s GLY 283 Ca 0.29 1.02 0.27 0.00 0.00 0.00 0.00 44.72 46.30 3mjl s GLY 283 CO 0.29 1.49 1.75 0.28 0.00 0.00 0.00 173.10 176.91 3mjl n LYS 284 N -0.59 0.03 -3.75 2.90 5.02 -1.26 -4.87 118.16 115.64 3mjl n LYS 284 Ca 0.08 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.29 3mjl n LYS 284 Cb 0.47 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 3mjl n LYS 284 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mjl s THR 285 N -3.01 0.09 0.26 -0.18 -4.23 -1.26 -5.02 115.64 102.28 3mjl s THR 285 Ca 0.13 -0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.73 3mjl s THR 285 Cb 0.18 -1.33 0.24 0.00 1.34 0.00 0.00 72.50 72.92 3mjl s THR 285 CO 0.59 -0.42 1.79 -0.65 -0.54 0.00 0.00 174.62 175.39 3mjl h PRO 286 N 2.50 0.72 -0.15 3.99 0.11 -1.98 -2.15 132.00 135.04 3mjl h PRO 286 Ca -0.33 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 3mjl h PRO 286 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3mjl h PRO 286 CO 0.50 0.47 -0.33 1.49 -0.21 0.00 0.00 178.00 179.92 3mjl h GLU 287 N 0.74 0.29 -0.08 1.05 4.22 -1.99 -2.44 114.58 116.37 3mjl h GLU 287 Ca 0.44 -0.12 -0.06 0.00 0.08 0.00 0.00 59.36 59.70 3mjl h GLU 287 Cb 0.52 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3mjl h GLU 287 CO -0.30 0.59 -0.24 0.93 -2.18 0.00 0.00 179.01 177.81 3mjl h GLU 288 N 0.25 0.13 0.12 1.92 5.08 -1.78 -0.28 114.58 120.02 3mjl h GLU 288 Ca 0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3mjl h GLU 288 Cb 0.71 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3mjl h GLU 288 CO 0.05 0.37 -0.06 0.28 -1.00 0.00 0.00 179.01 178.65 3mjl h VAL 289 N 0.12 1.08 -0.06 3.13 2.07 -1.26 -2.78 116.25 118.55 3mjl h VAL 289 Ca 0.02 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 3mjl h VAL 289 Cb 0.49 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3mjl h VAL 289 CO 0.03 0.23 -0.25 0.71 0.02 0.00 0.00 177.57 178.32 3mjl h THR 290 N -0.65 1.21 -0.29 2.57 1.35 -1.31 0.11 112.91 115.90 3mjl h THR 290 Ca -0.02 -0.96 -0.02 0.00 -0.55 0.00 0.00 66.41 64.86 3mjl h THR 290 Cb 0.50 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 3mjl h THR 290 CO 0.03 0.28 0.11 -0.09 -0.25 0.00 0.00 175.52 175.60 3mjl h ARG 291 N 0.09 0.43 -0.01 4.72 2.43 -1.05 0.32 114.38 121.32 3mjl h ARG 291 Ca 0.01 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3mjl h ARG 291 Cb 0.49 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3mjl h ARG 291 CO 0.03 0.47 0.00 1.15 -1.51 0.00 0.00 179.97 180.11 3mjl h THR 292 N 0.31 1.23 -0.15 0.20 2.02 -1.27 -2.16 112.91 113.08 3mjl h THR 292 Ca 0.09 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3mjl h THR 292 Cb 0.20 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3mjl h THR 292 CO -0.01 0.18 0.10 0.58 0.37 0.00 0.00 175.52 176.74 3mjl h VAL 293 N -0.27 1.04 -0.61 3.16 2.07 -0.94 -1.01 116.25 119.69 3mjl h VAL 293 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3mjl h VAL 293 Cb 0.29 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3mjl h VAL 293 CO 0.00 0.04 0.38 0.78 0.02 0.00 0.00 177.57 178.78 3mjl h ASN 294 N 0.20 0.71 -0.35 0.57 2.35 -0.32 -0.13 115.58 118.62 3mjl h ASN 294 Ca 0.06 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 3mjl h ASN 294 Cb -0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3mjl h ASN 294 CO -0.01 0.54 -0.21 0.74 -1.65 0.00 0.00 177.43 176.84 3mjl h THR 295 N 0.83 1.29 -0.23 2.81 2.02 -1.17 0.44 112.91 118.90 3mjl h THR 295 Ca 0.22 -1.35 -0.10 0.00 0.77 0.00 0.00 66.41 65.95 3mjl h THR 295 Cb -0.05 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3mjl h THR 295 CO -0.04 0.44 -0.28 0.00 0.37 0.00 0.00 175.52 176.00 3mjl h ALA 296 N 0.77 1.08 0.42 6.16 0.00 -0.38 0.21 119.26 127.52 3mjl h ALA 296 Ca 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3mjl h ALA 296 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3mjl h ALA 296 CO 0.06 0.57 -0.20 0.28 0.00 0.00 0.00 179.25 179.96 3mjl h VAL 297 N 0.40 0.59 -0.58 0.00 2.07 -0.91 -1.70 116.25 116.12 3mjl h VAL 297 Ca 0.05 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3mjl h VAL 297 Cb 0.71 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3mjl h VAL 297 CO 0.05 0.00 0.30 0.00 0.02 0.00 0.00 177.57 177.94 3mjl h ALA 298 N 0.01 0.76 -0.99 1.67 0.00 -0.11 0.62 119.26 121.22 3mjl h ALA 298 Ca -0.06 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3mjl h ALA 298 Cb 0.44 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3mjl h ALA 298 CO 0.09 -0.05 0.65 0.82 0.00 0.00 0.00 179.25 180.76 3mjl h ILE 299 N 0.56 1.20 -0.30 0.00 1.08 -0.59 -2.14 117.51 117.32 3mjl h ILE 299 Ca 0.26 -0.44 -0.06 0.00 -0.39 0.00 0.00 64.86 64.23 3mjl h ILE 299 Cb 0.19 -0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 33.73 3mjl h ILE 299 CO -0.19 0.24 -0.05 0.74 -0.69 0.00 0.00 178.15 178.20 3mjl h THR 300 N 1.29 1.27 -0.69 -0.27 2.02 -0.23 -2.51 112.91 113.79 3mjl h THR 300 Ca 0.38 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 3mjl h THR 300 Cb -0.06 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3mjl h THR 300 CO -0.11 0.34 0.42 -0.07 0.37 0.00 0.00 175.52 176.47 3mjl h LEU 301 N 0.33 0.83 -1.13 2.58 3.38 -0.76 -2.58 115.31 117.96 3mjl h LEU 301 Ca 0.08 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3mjl h LEU 301 Cb 0.51 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3mjl h LEU 301 CO 0.02 0.65 0.60 0.00 0.09 0.00 0.00 178.44 179.80 3mjl h ALA 302 N 1.22 1.57 0.00 1.53 0.00 -1.23 -0.07 119.26 122.28 3mjl h ALA 302 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3mjl h ALA 302 Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3mjl h ALA 302 CO -0.05 0.24 0.10 0.00 0.00 0.00 0.00 179.25 179.54 3mjl n PHE 304 N -2.78 0.33 0.00 0.00 3.72 -0.07 -4.56 117.46 114.11 3mjl n PHE 304 Ca -0.02 -1.33 0.00 0.00 -0.05 0.00 0.00 57.45 56.05 3mjl n PHE 304 Cb 0.15 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 3mjl n PHE 304 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mjl n GLY 305 N -0.61 0.81 3.65 1.37 0.00 -1.12 -4.67 105.19 104.61 3mjl n GLY 305 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3mjl n GLY 305 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mjl s LEU 306 N 0.00 4.17 -0.07 0.99 0.20 -1.00 -4.97 118.68 118.00 3mjl s LEU 306 Ca 0.00 1.96 0.03 0.00 0.69 0.00 0.00 54.13 56.80 3mjl s LEU 306 Cb 0.00 -3.53 -0.02 0.00 -0.43 0.00 0.00 46.19 42.20 3mjl s LEU 306 CO 0.00 -1.00 -0.14 0.00 -0.29 0.00 0.00 176.35 174.92 3mjl s ALA 307 N 4.32 2.67 0.40 5.97 0.00 -1.26 -4.31 121.76 129.55 3mjl s ALA 307 Ca 0.70 -0.95 0.24 0.00 0.00 0.00 0.00 51.96 51.95 3mjl s ALA 307 Cb -0.29 -1.04 1.31 0.00 0.00 0.00 0.00 23.12 23.10 3mjl s ALA 307 CO 0.27 0.49 2.03 0.00 0.00 0.00 0.00 175.76 178.55 3mjl h ARG 308 N 5.64 0.00 0.00 0.00 3.08 -1.97 -1.19 114.38 119.93 3mjl h ARG 308 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3mjl h ARG 308 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3mjl h ARG 308 CO 0.52 0.15 0.00 -0.85 -1.07 0.00 0.00 179.97 178.72 3mjl n GLU 309 N -3.76 0.09 0.00 0.04 0.28 -1.26 -4.98 120.64 111.05 3mjl n GLU 309 Ca -0.02 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 3mjl n GLU 309 Cb 0.26 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.47 3mjl n GLU 309 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3mjl n GLY 310 N 0.31 2.46 3.08 -1.84 0.00 -0.45 -5.11 105.19 103.63 3mjl n GLY 310 Ca 0.04 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 3mjl n GLY 310 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mjl s ASN 311 N 0.00 -0.00 0.17 1.61 -0.87 -1.26 -4.56 114.94 110.03 3mjl s ASN 311 Ca 0.00 -0.10 -0.10 0.00 -1.57 0.00 0.00 52.86 51.09 3mjl s ASN 311 Cb 0.00 0.22 -0.01 0.00 -0.02 0.00 0.00 41.25 41.45 3mjl s ASN 311 CO 0.00 -0.28 0.31 -1.38 -2.57 0.00 0.00 177.10 173.18 3mjl s HIS 312 N -1.01 0.37 0.51 2.20 -3.43 -1.26 -5.12 115.29 107.54 3mjl s HIS 312 Ca -0.11 -0.73 -0.11 0.00 -0.80 0.00 0.00 55.06 53.32 3mjl s HIS 312 Cb -0.06 -0.02 -0.05 0.00 -1.43 0.00 0.00 32.58 31.02 3mjl s HIS 312 CO 0.01 -0.75 0.89 0.15 -2.00 0.00 0.00 174.74 173.05 3mjl s LYS 313 N -3.97 3.71 -1.14 -0.38 3.01 -1.26 -4.92 119.74 114.79 3mjl s LYS 313 Ca 0.17 0.59 -0.18 0.00 -1.01 0.00 0.00 55.97 55.54 3mjl s LYS 313 Cb 0.03 -2.25 -0.05 0.00 -1.01 0.00 0.00 37.83 34.55 3mjl s LYS 313 CO 0.00 -0.28 2.04 -0.35 0.51 0.00 0.00 175.35 177.28 3mjl n PRO 314 N -1.99 2.23 -4.13 -1.68 -0.04 -1.26 -4.79 135.00 123.33 3mjl n PRO 314 Ca 0.04 -2.34 -0.09 0.00 -0.04 0.00 0.00 63.50 61.07 3mjl n PRO 314 Cb 0.54 -3.19 -0.10 0.00 -0.04 0.00 0.00 33.50 30.71 3mjl n PRO 314 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3mjl s ILE 315 N 4.64 0.17 -0.41 0.52 1.10 -1.26 -5.12 121.20 120.83 3mjl s ILE 315 Ca 0.54 -1.88 -0.20 0.00 -0.51 0.00 0.00 60.65 58.59 3mjl s ILE 315 Cb 0.12 -1.88 0.02 0.00 0.15 0.00 0.00 42.46 40.87 3mjl s ILE 315 CO 0.03 -0.64 0.61 -0.62 -2.11 0.00 0.00 174.94 172.21 3mjl s ASP 316 N -3.01 6.32 0.22 4.50 3.68 -1.26 -4.92 116.67 122.20 3mjl s ASP 316 Ca 0.19 -0.27 0.25 0.00 2.13 0.00 0.00 52.55 54.85 3mjl s ASP 316 Cb 0.08 -2.30 0.67 0.00 -1.45 0.00 0.00 42.92 39.91 3mjl s ASP 316 CO -0.02 -0.70 1.67 1.88 0.13 0.00 0.00 175.17 178.13 3mjl h TYR 317 N 8.76 0.00 -0.81 -5.34 0.05 -2.00 -3.08 116.97 114.54 3mjl h TYR 317 Ca -0.26 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.10 3mjl h TYR 317 Cb 1.10 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.69 3mjl h TYR 317 CO 0.72 0.00 0.29 1.28 -1.05 0.00 0.00 178.16 179.40 3mjl n LEU 318 N -2.34 6.30 0.00 3.88 4.77 -1.26 -5.27 117.00 123.08 3mjl n LEU 318 Ca 0.05 -3.80 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 3mjl n LEU 318 Cb 0.45 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 3mjl n LEU 318 CO 0.32 1.63 0.00 0.59 -1.33 0.00 0.00 177.39 178.60