#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 5.00 0.02 5.15 2.01 -1.26 -3.54 115.64 123.03 3mjl s THR 7 Ca 0.00 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.74 3mjl s THR 7 Cb 0.00 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 3mjl s THR 7 CO 0.00 0.34 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.50 3mjl s ILE 8 N -1.24 1.14 -0.32 1.82 1.01 0.95 -0.34 121.20 124.22 3mjl s ILE 8 Ca 0.24 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.04 3mjl s ILE 8 Cb -0.12 -1.00 0.09 0.00 0.01 0.00 0.00 42.46 41.44 3mjl s ILE 8 CO 0.16 0.11 0.03 -0.83 0.00 0.00 0.00 174.94 174.41 3mjl s GLY 9 N -0.88 1.73 0.27 6.18 0.00 0.12 -1.56 107.32 113.17 3mjl s GLY 9 Ca 0.03 -2.24 -0.30 0.00 0.00 0.00 0.00 44.72 42.21 3mjl s GLY 9 CO 0.01 1.01 1.08 -0.42 0.00 0.00 0.00 173.10 174.78 3mjl s ILE 10 N 1.07 3.59 -0.03 0.90 1.09 -0.96 -0.96 121.20 125.90 3mjl s ILE 10 Ca 0.08 1.59 0.01 0.00 -1.10 0.00 0.00 60.65 61.22 3mjl s ILE 10 Cb -0.19 -4.01 0.03 0.00 -1.06 0.00 0.00 42.46 37.22 3mjl s ILE 10 CO -0.10 0.37 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.47 3mjl s ILE 11 N -1.11 0.26 -0.16 2.92 1.01 0.62 -1.89 121.20 122.85 3mjl s ILE 11 Ca 0.44 0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.91 3mjl s ILE 11 Cb -0.31 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 3mjl s ILE 11 CO 0.39 0.16 0.64 -0.83 0.00 0.00 0.00 174.94 175.30 3mjl s GLY 12 N 0.95 2.21 -0.57 6.18 0.00 -0.71 -0.17 107.32 115.20 3mjl s GLY 12 Ca -0.10 -0.16 0.06 0.00 0.00 0.00 0.00 44.72 44.52 3mjl s GLY 12 CO -0.01 1.24 0.67 0.00 0.00 0.00 0.00 173.10 175.00 3mjl n ALA 13 N 4.63 3.60 -1.14 3.20 0.00 -0.89 0.11 120.51 130.01 3mjl n ALA 13 Ca -0.02 -4.38 -0.35 0.00 0.00 0.00 0.00 53.44 48.70 3mjl n ALA 13 Cb 0.50 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 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 1.08 2.42 -4.75 0.00 -0.04 -1.26 -3.38 135.00 129.06 3mjl n PRO 14 Ca 0.27 -1.92 -0.30 0.00 -0.04 0.00 0.00 63.50 61.51 3mjl n PRO 14 Cb 0.44 -2.80 -0.14 0.00 -0.04 0.00 0.00 33.50 30.96 3mjl n PRO 14 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3mjl s PHE 15 N 3.52 2.35 0.00 0.54 5.36 -1.26 -4.74 117.98 123.75 3mjl s PHE 15 Ca 0.52 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.10 3mjl s PHE 15 Cb 0.14 -1.37 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 3mjl s PHE 15 CO -0.01 0.19 0.00 -1.13 -1.46 0.00 0.00 175.22 172.81 3mjl n SER 16 N 1.53 0.92 0.06 6.13 3.41 -1.26 -1.57 113.62 122.84 3mjl n SER 16 Ca -0.17 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.48 3mjl n SER 16 Cb 0.52 0.18 0.19 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.31 0.05 0.13 4.33 4.76 -1.26 -1.06 118.16 124.80 3mjl n LYS 17 Ca 0.00 0.51 0.11 0.00 -2.87 0.00 0.00 58.31 56.06 3mjl n LYS 17 Cb 0.01 -1.71 0.51 0.00 -1.84 0.00 0.00 35.03 31.99 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 -1.39 -1.13 3.47 0.72 0.00 -1.26 -4.76 105.19 100.84 3mjl n GLY 18 Ca -0.00 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.37 1.79 0.27 1.61 1.03 -0.23 -1.46 119.66 119.30 3mjl s GLN 19 Ca 0.02 -1.68 0.14 0.00 0.04 0.00 0.00 55.36 53.89 3mjl s GLN 19 Cb 0.08 0.43 0.17 0.00 0.03 0.00 0.00 33.01 33.72 3mjl s GLN 19 CO 0.32 -0.73 1.49 -1.35 -2.54 0.00 0.00 175.29 172.48 3mjl h PRO 20 N 2.18 0.00 -5.83 9.60 0.11 -1.87 -3.46 132.00 132.73 3mjl h PRO 20 Ca -0.28 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.25 3mjl h PRO 20 Cb 1.24 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 3mjl h PRO 20 CO 0.39 0.57 0.03 1.03 -0.21 0.00 0.00 178.00 179.82 3mjl s ARG 21 N -3.09 4.34 0.28 1.05 0.52 -1.26 -4.97 118.95 115.83 3mjl s ARG 21 Ca 0.02 0.68 0.05 0.00 -0.52 0.00 0.00 55.73 55.95 3mjl s ARG 21 Cb 0.09 -3.48 0.41 0.00 0.52 0.00 0.00 34.95 32.49 3mjl s ARG 21 CO 0.75 -0.00 1.69 0.78 0.02 0.00 0.00 175.30 178.53 3mjl h GLY 22 N 7.19 0.36 2.00 -3.53 0.00 -1.90 -3.34 103.07 103.85 3mjl h GLY 22 Ca -0.38 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3mjl h GLY 22 CO 0.76 0.30 0.00 0.61 0.00 0.00 0.00 176.54 178.22 3mjl n GLY 23 N -0.20 -1.04 0.40 4.60 0.00 -1.26 -2.68 105.19 105.02 3mjl n GLY 23 Ca -0.01 0.15 0.22 0.00 0.00 0.00 0.00 46.02 46.38 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 0.47 0.00 1.61 3.04 -1.77 0.71 116.25 120.31 3mjl h VAL 24 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3mjl h VAL 24 Cb 0.16 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 3mjl h VAL 24 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.94 3mjl n GLU 25 N -3.95 0.09 -0.08 4.17 1.02 -1.09 -1.84 120.64 118.97 3mjl n GLU 25 Ca 0.10 0.53 0.11 0.00 -0.02 0.00 0.00 57.16 57.88 3mjl n GLU 25 Cb 0.70 -1.75 0.36 0.00 -0.02 0.00 0.00 31.44 30.72 3mjl n GLU 25 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3mjl n GLU 26 N -1.93 1.88 0.10 3.49 -0.58 0.25 -4.35 120.64 119.50 3mjl n GLU 26 Ca -0.00 -1.32 -0.13 0.00 -0.42 0.00 0.00 57.16 55.30 3mjl n GLU 26 Cb 0.06 -1.43 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 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 4.89 -0.53 0.30 0.62 0.00 -1.62 -1.93 103.07 104.81 3mjl h GLY 27 Ca 0.00 0.35 0.12 0.00 0.00 0.00 0.00 47.33 47.80 3mjl h GLY 27 CO 0.00 -0.23 0.36 -2.55 0.00 0.00 0.00 176.54 174.12 3mjl h PRO 28 N -0.49 0.54 0.12 4.80 0.11 -1.70 -1.41 132.00 133.97 3mjl h PRO 28 Ca 0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3mjl h PRO 28 Cb 0.54 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3mjl h PRO 28 CO -0.20 0.36 -0.06 1.15 -0.21 0.00 0.00 178.00 179.05 3mjl h THR 29 N 0.56 1.06 -0.33 -1.15 2.02 -1.78 -2.14 112.91 111.15 3mjl h THR 29 Ca 0.40 -0.80 -0.12 0.00 0.77 0.00 0.00 66.41 66.66 3mjl h THR 29 Cb 0.53 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3mjl h THR 29 CO -0.34 0.19 -0.29 0.58 0.37 0.00 0.00 175.52 176.03 3mjl h VAL 30 N -0.54 1.28 -0.71 3.16 2.07 -1.28 0.36 116.25 120.59 3mjl h VAL 30 Ca -0.02 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.13 3mjl h VAL 30 Cb 0.43 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3mjl h VAL 30 CO 0.03 0.46 0.43 -0.07 0.02 0.00 0.00 177.57 178.44 3mjl h LEU 31 N 0.59 0.69 -0.09 2.57 3.38 -1.27 0.23 115.31 121.41 3mjl h LEU 31 Ca 0.07 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3mjl h LEU 31 Cb 0.79 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3mjl h LEU 31 CO 0.07 0.47 0.00 0.03 0.09 0.00 0.00 178.44 179.09 3mjl h ARG 32 N 0.83 0.15 0.00 1.13 3.08 -0.99 -2.78 114.38 115.80 3mjl h ARG 32 Ca 0.30 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3mjl h ARG 32 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3mjl h ARG 32 CO -0.14 0.41 0.00 1.63 -1.07 0.00 0.00 179.97 180.80 3mjl n LYS 33 N -4.84 0.10 -0.01 0.04 5.02 0.12 -0.96 118.16 117.64 3mjl n LYS 33 Ca -0.06 0.45 0.14 0.00 -2.02 0.00 0.00 58.31 56.82 3mjl n LYS 33 Cb 0.19 -1.75 0.53 0.00 -0.02 0.00 0.00 35.03 33.99 3mjl n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mjl n ALA 34 N -1.67 2.58 -0.96 7.82 0.00 0.02 -4.92 120.51 123.38 3mjl n ALA 34 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3mjl n ALA 34 Cb 0.13 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.16 1.19 0.31 0.00 0.00 -0.13 -5.02 105.19 102.70 3mjl n GLY 35 Ca 0.19 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.74 -0.65 0.99 5.85 -1.58 -2.22 115.31 116.96 3mjl h LEU 36 Ca 0.00 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3mjl h LEU 36 Cb 0.45 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3mjl h LEU 36 CO 0.00 -0.41 0.43 -0.07 -0.34 0.00 0.00 178.44 178.05 3mjl h LEU 37 N -0.62 0.75 -0.99 2.25 3.38 -1.86 -2.21 115.31 116.01 3mjl h LEU 37 Ca -0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3mjl h LEU 37 Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3mjl h LEU 37 CO -0.03 0.54 -0.43 -0.33 0.09 0.00 0.00 178.44 178.28 3mjl h GLU 38 N 0.88 0.16 -0.35 1.13 3.07 -1.92 -2.38 114.58 115.17 3mjl h GLU 38 Ca 0.24 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 3mjl h GLU 38 Cb -0.10 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3mjl h GLU 38 CO -0.05 0.56 -0.22 0.87 -1.40 0.00 0.00 179.01 178.77 3mjl h LYS 39 N 0.13 0.67 -0.60 2.33 1.57 -0.82 0.46 116.57 120.31 3mjl h LYS 39 Ca 0.01 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3mjl h LYS 39 Cb 0.82 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 3mjl h LYS 39 CO 0.06 0.84 0.35 -0.07 -0.57 0.00 0.00 179.45 180.06 3mjl h LEU 40 N 0.59 0.56 -0.69 2.94 3.38 -1.28 -1.77 115.31 119.05 3mjl h LEU 40 Ca 0.09 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3mjl h LEU 40 Cb 0.69 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3mjl h LEU 40 CO 0.05 0.38 -0.19 0.11 0.09 0.00 0.00 178.44 178.89 3mjl h LYS 41 N 0.69 0.82 0.00 1.13 1.57 -0.63 -2.16 116.57 117.99 3mjl h LYS 41 Ca 0.25 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3mjl h LYS 41 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3mjl h LYS 41 CO -0.13 0.94 0.00 0.93 -0.57 0.00 0.00 179.45 180.63 3mjl h GLU 42 N 0.72 0.00 0.00 3.15 5.08 -0.81 -3.40 114.58 119.32 3mjl h GLU 42 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3mjl h GLU 42 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3mjl h GLU 42 CO 0.05 0.00 0.00 0.94 -1.00 0.00 0.00 179.01 179.00 3mjl n GLN 43 N -3.04 0.00 0.00 2.33 7.27 -0.68 -4.91 117.38 118.35 3mjl n GLN 43 Ca 0.02 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.11 3mjl n GLN 43 Cb 0.36 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.99 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 0.00 5.41 -2.56 3.69 0.28 -1.23 -5.07 120.64 121.17 3mjl n GLU 44 Ca 0.00 -0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 3mjl n GLU 44 Cb 0.00 -0.72 -0.04 0.00 1.43 0.00 0.00 31.44 32.10 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 -0.29 6.23 -0.10 0.00 2.15 -1.23 -4.40 116.67 119.03 3mjl s ASP 46 Ca 0.48 -0.87 -0.11 0.00 0.43 0.00 0.00 52.55 52.48 3mjl s ASP 46 Cb -0.29 -2.38 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 3mjl s ASP 46 CO 0.35 -1.21 0.26 -0.69 -0.17 0.00 0.00 175.17 173.71 3mjl s VAL 47 N 3.50 5.30 -0.25 1.11 1.01 -1.26 -0.03 120.40 129.77 3mjl s VAL 47 Ca 0.21 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 3mjl s VAL 47 Cb -0.17 -3.56 0.08 0.00 0.00 0.00 0.00 36.38 32.72 3mjl s VAL 47 CO 0.12 0.53 0.05 -0.54 0.00 0.00 0.00 175.10 175.26 3mjl s LYS 48 N -0.55 0.86 -0.26 2.72 3.01 -0.60 -4.95 119.74 119.97 3mjl s LYS 48 Ca 0.18 -0.83 -0.29 0.00 -1.01 0.00 0.00 55.97 54.02 3mjl s LYS 48 Cb -0.14 -2.16 0.00 0.00 -1.01 0.00 0.00 37.83 34.53 3mjl s LYS 48 CO 0.06 -0.79 1.24 0.34 0.51 0.00 0.00 175.35 176.71 3mjl s ASP 49 N 1.66 6.81 -0.15 2.83 -1.08 -1.26 -2.26 116.67 123.23 3mjl s ASP 49 Ca 0.03 1.32 0.09 0.00 -0.52 0.00 0.00 52.55 53.47 3mjl s ASP 49 Cb -0.17 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.26 3mjl s ASP 49 CO -0.15 -0.94 1.29 -1.22 0.52 0.00 0.00 175.17 174.67 3mjl n TYR 50 N 7.15 1.31 -3.18 -5.34 4.02 -0.80 -4.96 117.16 115.37 3mjl n TYR 50 Ca 0.14 -0.45 0.05 0.00 -0.01 0.00 0.00 57.90 57.63 3mjl n TYR 50 Cb 0.46 -0.36 -0.01 0.00 -0.02 0.00 0.00 39.34 39.41 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 0.40 -1.60 3.84 2.72 0.00 -1.26 -4.87 105.19 104.42 3mjl n GLY 51 Ca 0.17 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.63 6.85 0.32 1.61 1.01 -1.26 -1.74 116.67 118.83 3mjl s ASP 52 Ca 0.00 1.06 -0.27 0.00 0.71 0.00 0.00 52.55 54.05 3mjl s ASP 52 Cb 0.00 -2.28 -0.09 0.00 1.01 0.00 0.00 42.92 41.56 3mjl s ASP 52 CO 0.00 0.19 1.02 -0.76 0.21 0.00 0.00 175.17 175.83 3mjl s LEU 53 N -1.62 4.39 -0.63 1.23 1.43 0.30 -4.86 118.68 118.93 3mjl s LEU 53 Ca 0.33 2.05 -0.17 0.00 -1.03 0.00 0.00 54.13 55.31 3mjl s LEU 53 Cb -0.16 -3.88 0.14 0.00 0.03 0.00 0.00 46.19 42.31 3mjl s LEU 53 CO 0.18 -0.19 0.64 -2.16 0.23 0.00 0.00 176.35 175.06 3mjl s PRO 54 N -1.87 3.15 -0.25 1.29 0.04 -1.26 -4.54 135.00 131.56 3mjl s PRO 54 Ca 0.49 -1.73 -0.21 0.00 0.04 0.00 0.00 61.00 59.59 3mjl s PRO 54 Cb -0.25 -4.34 -0.02 0.00 0.04 0.00 0.00 34.50 29.93 3mjl s PRO 54 CO 0.32 -1.41 0.66 -0.06 0.04 0.00 0.00 177.00 176.54 3mjl s PHE 55 N 1.73 3.28 0.28 0.56 0.08 -1.26 -5.09 117.98 117.57 3mjl s PHE 55 Ca 0.10 0.86 -0.21 0.00 0.12 0.00 0.00 56.93 57.79 3mjl s PHE 55 Cb -0.23 -2.87 -0.09 0.00 -0.57 0.00 0.00 43.02 39.25 3mjl s PHE 55 CO 0.01 -0.34 0.81 0.00 -0.10 0.00 0.00 175.22 175.61 3mjl s ALA 56 N 2.55 3.31 0.31 5.36 0.00 -1.26 -5.02 121.76 127.01 3mjl s ALA 56 Ca 0.27 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 3mjl s ALA 56 Cb -0.15 -2.96 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 3mjl s ALA 56 CO 0.08 0.26 1.25 0.34 0.00 0.00 0.00 175.76 177.70 3mjl s ASP 57 N -1.76 6.91 -0.77 0.00 3.68 -1.26 -4.94 116.67 118.54 3mjl s ASP 57 Ca 0.48 2.56 -0.09 0.00 2.13 0.00 0.00 52.55 57.64 3mjl s ASP 57 Cb -0.16 -2.64 0.20 0.00 -1.45 0.00 0.00 42.92 38.87 3mjl s ASP 57 CO 0.21 -0.43 0.66 -0.63 0.13 0.00 0.00 175.17 175.11 3mjl s ILE 58 N -1.08 4.83 0.33 4.11 1.01 -1.26 -4.94 121.20 124.19 3mjl s ILE 58 Ca 0.48 -2.81 0.12 0.00 0.00 0.00 0.00 60.65 58.43 3mjl s ILE 58 Cb -0.37 -4.02 0.32 0.00 0.01 0.00 0.00 42.46 38.39 3mjl s ILE 58 CO 0.49 -0.98 1.67 1.55 0.00 0.00 0.00 174.94 177.67 3mjl h PRO 59 N 7.30 0.35 -3.52 2.79 0.13 -2.04 -3.06 132.00 133.95 3mjl h PRO 59 Ca 0.07 -0.02 -0.77 0.00 -0.87 0.00 0.00 66.00 64.41 3mjl h PRO 59 Cb 0.98 -0.08 -0.30 0.00 0.13 0.00 0.00 31.00 31.74 3mjl h PRO 59 CO 0.75 0.23 0.27 -0.80 -0.23 0.00 0.00 178.00 178.23 3mjl s ASN 60 N -4.99 6.91 -0.60 1.44 0.01 -1.26 -4.92 114.94 111.52 3mjl s ASN 60 Ca -0.10 -3.55 0.06 0.00 -0.71 0.00 0.00 52.86 48.56 3mjl s ASN 60 Cb 0.29 -2.13 0.28 0.00 0.41 0.00 0.00 41.25 40.10 3mjl s ASN 60 CO 0.79 -0.28 0.79 -0.67 -1.51 0.00 0.00 177.10 176.21 3mjl n ASP 61 N 2.72 3.61 -4.62 -1.22 -0.08 -1.16 -4.99 116.55 110.82 3mjl n ASP 61 Ca 0.22 -3.45 -0.35 0.00 -1.51 0.00 0.00 54.79 49.70 3mjl n ASP 61 Cb 0.39 -0.64 0.09 0.00 2.34 0.00 0.00 41.12 43.31 3mjl n ASP 61 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3mjl n SER 62 N 0.56 0.44 -4.76 1.67 2.88 -1.26 -4.19 113.62 108.97 3mjl n SER 62 Ca 0.29 0.64 -0.40 0.00 -1.33 0.00 0.00 58.87 58.08 3mjl n SER 62 Cb 0.42 -1.41 -0.05 0.00 -0.75 0.00 0.00 64.21 62.42 3mjl n SER 62 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3mjl s PRO 63 N -3.45 4.69 -0.50 -1.46 0.02 -1.26 -4.45 135.00 128.58 3mjl s PRO 63 Ca 0.73 1.62 -0.25 0.00 0.02 0.00 0.00 61.00 63.12 3mjl s PRO 63 Cb -0.33 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.08 3mjl s PRO 63 CO 0.51 0.31 0.92 0.12 -0.33 0.00 0.00 177.00 178.53 3mjl s PHE 64 N -1.24 2.87 0.00 6.54 5.36 -0.32 -4.85 117.98 126.34 3mjl s PHE 64 Ca 0.45 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.62 3mjl s PHE 64 Cb -0.28 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.42 3mjl s PHE 64 CO 0.35 -1.19 0.00 1.04 -1.46 0.00 0.00 175.22 173.96 3mjl n GLN 65 N 7.25 0.00 -0.37 10.12 6.02 -1.26 0.14 117.38 139.28 3mjl n GLN 65 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.14 3mjl n GLN 65 Cb 0.48 0.00 0.32 0.00 1.02 0.00 0.00 30.24 32.06 3mjl n GLN 65 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3mjl n ILE 66 N 0.00 0.99 -3.01 5.09 -5.35 -1.26 -4.93 119.36 110.90 3mjl n ILE 66 Ca 0.00 -0.96 -0.43 0.00 -0.27 0.00 0.00 62.75 61.09 3mjl n ILE 66 Cb 0.00 0.46 -0.06 0.00 -1.74 0.00 0.00 39.64 38.30 3mjl n ILE 66 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3mjl s VAL 67 N -1.09 4.68 0.52 7.28 1.01 0.38 -4.16 120.40 129.03 3mjl s VAL 67 Ca 0.48 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 3mjl s VAL 67 Cb 0.25 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 3mjl s VAL 67 CO 0.32 -0.76 1.05 -0.54 0.00 0.00 0.00 175.10 175.17 3mjl s LYS 68 N 3.19 3.61 -1.42 2.72 1.02 -1.07 -1.17 119.74 126.61 3mjl s LYS 68 Ca 0.26 1.34 -0.11 0.00 0.02 0.00 0.00 55.97 57.49 3mjl s LYS 68 Cb -0.14 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 3mjl s LYS 68 CO 0.20 -0.58 0.20 0.09 -0.92 0.00 0.00 175.35 174.33 3mjl n ASN 69 N -1.31 -0.55 0.41 2.83 3.02 -1.26 -4.71 115.26 113.70 3mjl n ASN 69 Ca 0.09 -1.27 -0.18 0.00 -0.03 0.00 0.00 54.58 53.20 3mjl n ASN 69 Cb 0.52 -1.56 -0.09 0.00 -0.61 0.00 0.00 39.78 38.05 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 -2.00 -1.07 -0.49 3.52 0.13 -1.78 -2.14 132.00 128.18 3mjl h PRO 70 Ca -0.67 0.07 0.12 0.00 -0.87 0.00 0.00 66.00 64.65 3mjl h PRO 70 Cb 1.38 0.24 -0.02 0.00 0.13 0.00 0.00 31.00 32.73 3mjl h PRO 70 CO 0.64 -0.71 0.34 0.00 -0.23 0.00 0.00 178.00 178.04 3mjl h ARG 71 N -1.11 0.13 -0.08 0.86 3.08 -1.87 1.18 114.38 116.57 3mjl h ARG 71 Ca -0.10 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 3mjl h ARG 71 Cb 0.88 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3mjl h ARG 71 CO 0.13 0.09 -0.21 0.77 -1.07 0.00 0.00 179.97 179.68 3mjl h SER 72 N 0.13 0.32 -0.33 7.04 0.02 -1.86 -1.60 113.55 117.27 3mjl h SER 72 Ca 0.23 -0.59 -0.16 0.00 -0.84 0.00 0.00 61.79 60.43 3mjl h SER 72 Cb 0.73 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3mjl h SER 72 CO -0.03 0.85 -0.42 0.58 -1.14 0.00 0.00 176.83 176.67 3mjl h VAL 73 N -0.20 1.27 -0.31 2.27 2.07 -0.38 -1.81 116.25 119.17 3mjl h VAL 73 Ca -0.00 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 65.85 3mjl h VAL 73 Cb 0.81 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3mjl h VAL 73 CO 0.04 0.53 -0.12 1.23 0.02 0.00 0.00 177.57 179.28 3mjl h GLY 74 N 0.79 0.56 1.50 2.17 0.00 0.13 -2.80 103.07 105.42 3mjl h GLY 74 Ca 0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 47.33 46.70 3mjl h GLY 74 CO 0.10 0.36 -1.30 1.70 0.00 0.00 0.00 176.54 177.40 3mjl h LYS 75 N 0.48 0.38 0.00 4.80 1.63 -1.18 -2.40 116.57 120.28 3mjl h LYS 75 Ca 0.09 -0.62 -0.06 0.00 -0.85 0.00 0.00 60.65 59.20 3mjl h LYS 75 Cb 0.49 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.34 3mjl h LYS 75 CO 0.03 1.29 -0.29 0.00 -3.45 0.00 0.00 179.45 177.03 3mjl h ALA 76 N 0.45 1.13 0.10 5.00 0.00 -1.32 -1.65 119.26 122.96 3mjl h ALA 76 Ca -0.17 -0.26 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 3mjl h ALA 76 Cb 2.01 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.78 3mjl h ALA 76 CO 0.23 0.36 -1.19 0.77 0.00 0.00 0.00 179.25 179.41 3mjl h SER 77 N 0.00 0.79 -0.55 0.00 0.02 -1.51 -0.53 113.55 111.77 3mjl h SER 77 Ca -0.00 -0.72 0.03 0.00 -0.84 0.00 0.00 61.79 60.26 3mjl h SER 77 Cb 0.70 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 3mjl h SER 77 CO 0.04 1.53 0.33 -0.08 -1.14 0.00 0.00 176.83 177.50 3mjl h GLU 78 N 0.26 0.63 -0.15 3.45 4.81 -1.20 0.21 114.58 122.58 3mjl h GLU 78 Ca -0.16 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 3mjl h GLU 78 Cb 1.86 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 31.10 3mjl h GLU 78 CO 0.22 0.41 -0.18 0.37 -0.73 0.00 0.00 179.01 179.10 3mjl h GLN 79 N 0.64 0.39 -0.14 1.92 4.15 -1.34 -2.51 115.11 118.22 3mjl h GLN 79 Ca 0.23 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 3mjl h GLN 79 Cb 0.04 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3mjl h GLN 79 CO -0.11 0.79 -0.24 1.25 -1.93 0.00 0.00 178.83 178.59 3mjl h LEU 80 N 0.01 0.24 -0.56 -2.39 5.85 -0.83 -2.55 115.31 115.08 3mjl h LEU 80 Ca 0.02 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 3mjl h LEU 80 Cb 0.74 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3mjl h LEU 80 CO 0.04 0.50 -0.64 0.00 -0.34 0.00 0.00 178.44 178.00 3mjl h ALA 81 N 1.53 0.75 -0.52 1.25 0.00 -0.47 -1.59 119.26 120.22 3mjl h ALA 81 Ca 0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3mjl h ALA 81 Cb 0.56 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3mjl h ALA 81 CO 0.04 0.74 0.23 0.78 0.00 0.00 0.00 179.25 181.04 3mjl h GLY 82 N 1.40 0.82 1.28 0.00 0.00 -1.05 -2.06 103.07 103.45 3mjl h GLY 82 Ca -0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 3mjl h GLY 82 CO 0.10 0.40 -0.02 0.50 0.00 0.00 0.00 176.54 177.53 3mjl h LYS 83 N 0.69 0.86 -0.59 4.80 1.79 -1.38 -2.59 116.57 120.16 3mjl h LYS 83 Ca 0.17 -0.25 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 3mjl h LYS 83 Cb 0.16 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 3mjl h LYS 83 CO -0.02 0.88 -0.01 0.28 -1.08 0.00 0.00 179.45 179.50 3mjl h VAL 84 N 0.80 1.27 0.00 0.50 2.07 -0.93 -1.45 116.25 118.50 3mjl h VAL 84 Ca 0.15 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 3mjl h VAL 84 Cb 0.51 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3mjl h VAL 84 CO 0.03 0.42 -0.16 0.00 0.02 0.00 0.00 177.57 177.88 3mjl h ALA 85 N 0.97 1.74 0.94 1.67 0.00 -1.20 0.13 119.26 123.52 3mjl h ALA 85 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3mjl h ALA 85 Cb 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3mjl h ALA 85 CO 0.03 0.19 -0.45 1.49 0.00 0.00 0.00 179.25 180.51 3mjl h GLU 86 N 0.00 -1.22 -0.69 0.00 4.57 -0.97 0.29 114.58 116.57 3mjl h GLU 86 Ca -0.00 0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3mjl h GLU 86 Cb 0.28 0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 3mjl h GLU 86 CO 0.02 -0.81 0.32 -0.24 -1.18 0.00 0.00 179.01 177.12 3mjl h VAL 87 N -1.32 1.22 0.59 0.32 3.04 -1.03 -0.83 116.25 118.25 3mjl h VAL 87 Ca -0.13 -0.64 -0.02 0.00 -1.01 0.00 0.00 66.70 64.90 3mjl h VAL 87 Cb 0.97 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 3mjl h VAL 87 CO 0.21 0.27 -0.42 0.11 -1.01 0.00 0.00 177.57 176.73 3mjl h LYS 88 N 0.97 -0.93 -1.26 4.17 1.79 -0.62 -1.98 116.57 118.71 3mjl h LYS 88 Ca 0.24 0.06 0.37 0.00 -2.18 0.00 0.00 60.65 59.14 3mjl h LYS 88 Cb 0.11 0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 30.88 3mjl h LYS 88 CO -0.03 -0.62 0.85 0.87 -1.08 0.00 0.00 179.45 179.44 3mjl h LYS 89 N -0.96 0.15 -0.18 3.15 1.57 0.05 1.49 116.57 121.84 3mjl h LYS 89 Ca -0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3mjl h LYS 89 Cb 0.79 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3mjl h LYS 89 CO 0.04 0.10 0.00 0.09 -0.57 0.00 0.00 179.45 179.11 3mjl n ASN 90 N -4.46 0.18 -3.33 0.86 3.02 -0.36 -4.86 115.26 106.31 3mjl n ASN 90 Ca 0.31 -1.45 -0.22 0.00 -0.03 0.00 0.00 54.58 53.20 3mjl n ASN 90 Cb 1.27 -0.09 0.07 0.00 -0.61 0.00 0.00 39.78 40.42 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 0.20 -0.41 3.37 7.41 0.00 0.51 -5.03 105.19 111.24 3mjl n GLY 91 Ca 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.17 1.43 -0.06 1.61 0.52 -0.80 -4.78 118.95 110.71 3mjl s ARG 92 Ca 0.52 -1.73 -0.25 0.00 -0.52 0.00 0.00 55.73 53.75 3mjl s ARG 92 Cb -0.23 -0.86 -0.03 0.00 0.52 0.00 0.00 34.95 34.35 3mjl s ARG 92 CO 0.67 -0.04 0.77 0.42 0.02 0.00 0.00 175.30 177.14 3mjl s ILE 93 N -3.24 4.99 -0.07 1.52 1.01 0.54 -4.15 121.20 121.81 3mjl s ILE 93 Ca 0.29 1.60 -0.27 0.00 0.00 0.00 0.00 60.65 62.26 3mjl s ILE 93 Cb 0.05 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3mjl s ILE 93 CO 0.10 0.21 0.89 -0.94 0.00 0.00 0.00 174.94 175.20 3mjl s SER 94 N 0.87 7.17 -0.46 3.58 1.04 -1.04 0.11 113.70 124.98 3mjl s SER 94 Ca 0.41 1.43 0.02 0.00 0.48 0.00 0.00 55.95 58.29 3mjl s SER 94 Cb -0.18 -2.51 0.12 0.00 0.10 0.00 0.00 66.02 63.55 3mjl s SER 94 CO 0.20 -0.29 0.21 -0.22 0.98 0.00 0.00 173.24 174.13 3mjl s LEU 95 N 1.36 4.72 -0.16 2.42 0.20 -0.14 0.31 118.68 127.39 3mjl s LEU 95 Ca 0.45 -2.58 -0.19 0.00 0.69 0.00 0.00 54.13 52.49 3mjl s LEU 95 Cb -0.19 -1.69 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 3mjl s LEU 95 CO 0.21 -0.34 0.55 -0.69 -0.29 0.00 0.00 176.35 175.78 3mjl s VAL 96 N 0.32 5.11 -0.66 1.68 1.01 -0.52 -0.27 120.40 127.06 3mjl s VAL 96 Ca 0.14 1.05 -0.14 0.00 0.00 0.00 0.00 61.98 63.03 3mjl s VAL 96 Cb -0.22 -3.88 0.17 0.00 0.00 0.00 0.00 36.38 32.45 3mjl s VAL 96 CO -0.04 0.21 0.60 -0.76 0.00 0.00 0.00 175.10 175.11 3mjl s LEU 97 N 1.33 6.36 1.15 3.92 1.43 0.75 -1.79 118.68 131.83 3mjl s LEU 97 Ca 0.27 -2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 50.96 3mjl s LEU 97 Cb -0.16 -2.18 0.26 0.00 0.03 0.00 0.00 46.19 44.15 3mjl s LEU 97 CO 0.11 -0.70 1.11 -0.83 0.23 0.00 0.00 176.35 176.26 3mjl s GLY 98 N 2.77 1.58 0.00 -3.19 0.00 -0.45 -2.11 107.32 105.92 3mjl s GLY 98 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.01 3mjl s GLY 98 CO -0.03 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.69 3mjl n GLY 99 N -1.00 -2.26 3.84 0.20 0.00 -0.76 -3.63 105.19 101.57 3mjl n GLY 99 Ca 0.11 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.14 6.10 0.16 1.61 1.47 -0.61 -1.86 116.67 120.41 3mjl s ASP 100 Ca 0.00 1.55 0.13 0.00 1.18 0.00 0.00 52.55 55.42 3mjl s ASP 100 Cb 0.00 -2.49 0.66 0.00 -0.34 0.00 0.00 42.92 40.75 3mjl s ASP 100 CO 0.00 -0.95 1.41 1.57 0.68 0.00 0.00 175.17 177.88 3mjl n HIS 101 N -2.41 0.40 -0.01 2.11 -0.00 -1.26 -2.28 115.22 111.76 3mjl n HIS 101 Ca 0.07 0.19 0.21 0.00 -0.00 0.00 0.00 57.72 58.20 3mjl n HIS 101 Cb 0.54 -0.81 0.70 0.00 -0.00 0.00 0.00 29.99 30.42 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 0.22 0.26 4.64 -1.79 0.58 113.55 117.46 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 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3mjl h SER 102 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 3mjl h LEU 103 N 0.00 0.00 -2.40 5.97 3.38 -1.82 -2.23 115.31 118.20 3mjl h LEU 103 Ca 0.27 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.26 3mjl h LEU 103 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3mjl h LEU 103 CO -0.00 0.00 0.07 0.00 0.09 0.00 0.00 178.44 178.60 3mjl h ALA 104 N 2.04 1.60 0.04 1.53 0.00 -1.12 -0.59 119.26 122.75 3mjl h ALA 104 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mjl h ALA 104 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3mjl h ALA 104 CO 0.00 -0.10 -0.10 0.82 0.00 0.00 0.00 179.25 179.86 3mjl h ILE 105 N 0.00 0.75 -0.40 0.00 2.04 -1.62 -1.68 117.51 116.60 3mjl h ILE 105 Ca 0.03 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.76 3mjl h ILE 105 Cb 0.17 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3mjl h ILE 105 CO -0.00 0.00 -0.27 1.23 0.00 0.00 0.00 178.15 179.11 3mjl h GLY 106 N -0.20 0.91 0.90 5.37 0.00 -1.25 -1.11 103.07 107.68 3mjl h GLY 106 Ca 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 3mjl h GLY 106 CO -0.08 0.75 -0.16 0.23 0.00 0.00 0.00 176.54 177.29 3mjl h SER 107 N 0.71 -0.37 -0.44 0.19 0.87 -1.08 -1.17 113.55 112.26 3mjl h SER 107 Ca 0.09 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 3mjl h SER 107 Cb 0.81 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 3mjl h SER 107 CO 0.07 -0.18 -0.01 0.40 -0.53 0.00 0.00 176.83 176.59 3mjl h ILE 108 N -0.54 1.26 -0.46 2.23 2.04 -1.38 -2.10 117.51 118.56 3mjl h ILE 108 Ca -0.04 -1.05 -0.11 0.00 1.00 0.00 0.00 64.86 64.65 3mjl h ILE 108 Cb 0.40 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3mjl h ILE 108 CO 0.07 0.36 -0.15 0.28 0.00 0.00 0.00 178.15 178.72 3mjl h SER 109 N 0.63 0.92 -0.37 1.72 0.02 -1.14 -0.46 113.55 114.88 3mjl h SER 109 Ca 0.13 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 3mjl h SER 109 Cb 0.50 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3mjl h SER 109 CO 0.02 1.09 0.03 1.23 -1.14 0.00 0.00 176.83 178.06 3mjl h GLY 110 N 0.75 0.78 0.81 -3.77 0.00 -1.25 -1.85 103.07 98.54 3mjl h GLY 110 Ca 0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3mjl h GLY 110 CO 0.05 0.45 -0.13 0.84 0.00 0.00 0.00 176.54 177.75 3mjl h HIS 111 N 0.68 -0.35 0.00 5.60 6.17 -1.14 -2.96 115.15 123.15 3mjl h HIS 111 Ca 0.14 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.21 3mjl h HIS 111 Cb 0.38 0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.43 3mjl h HIS 111 CO 0.02 -0.09 0.00 0.00 0.71 0.00 0.00 177.93 178.57 3mjl h ALA 112 N 0.09 1.00 0.00 5.26 0.00 -0.95 0.26 119.26 124.92 3mjl h ALA 112 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3mjl h ALA 112 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3mjl h ALA 112 CO 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 179.25 179.05 3mjl h ARG 113 N 0.00 0.00 0.00 0.00 3.08 -1.16 -1.93 114.38 114.37 3mjl h ARG 113 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3mjl h ARG 113 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3mjl h ARG 113 CO 0.00 0.27 -1.60 0.28 -1.07 0.00 0.00 179.97 177.85 3mjl n VAL 114 N -3.96 0.08 -3.49 2.04 0.31 0.71 -4.79 118.33 109.24 3mjl n VAL 114 Ca -0.02 -0.31 -0.27 0.00 -0.01 0.00 0.00 64.34 63.73 3mjl n VAL 114 Cb 0.34 0.12 -0.10 0.00 -0.91 0.00 0.00 33.84 33.29 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 -1.99 0.13 0.20 3.52 8.25 -0.08 -4.95 115.22 120.31 3mjl n HIS 115 Ca -0.04 -3.56 0.08 0.00 -0.26 0.00 0.00 57.72 53.94 3mjl n HIS 115 Cb 0.39 0.01 0.40 0.00 1.12 0.00 0.00 29.99 31.90 3mjl n HIS 115 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3mjl n PRO 116 N 2.49 0.10 -0.18 -0.41 -0.04 -0.73 -2.07 135.00 134.16 3mjl n PRO 116 Ca 0.27 0.52 0.09 0.00 -0.04 0.00 0.00 63.50 64.34 3mjl n PRO 116 Cb 0.45 -1.78 0.25 0.00 -0.04 0.00 0.00 33.50 32.38 3mjl n PRO 116 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3mjl n ASP 117 N -1.99 2.32 -4.76 3.54 5.75 -1.26 -4.96 116.55 115.19 3mjl n ASP 117 Ca 0.00 -1.92 -0.38 0.00 -0.01 0.00 0.00 54.79 52.48 3mjl n ASP 117 Cb 0.08 -0.24 0.03 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.22 3.93 0.12 -2.12 0.05 -0.88 -4.48 118.68 114.09 3mjl s LEU 118 Ca 0.32 2.69 0.05 0.00 0.05 0.00 0.00 54.13 57.24 3mjl s LEU 118 Cb 0.17 -4.20 -0.04 0.00 -2.05 0.00 0.00 46.19 40.07 3mjl s LEU 118 CO 0.23 -1.36 0.08 -0.83 -0.55 0.00 0.00 176.35 173.92 3mjl s GLY 119 N -0.96 1.86 -0.07 -3.48 0.00 -0.44 -4.98 107.32 99.25 3mjl s GLY 119 Ca 0.68 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 44.31 3mjl s GLY 119 CO 0.46 -1.14 -0.24 0.14 0.00 0.00 0.00 173.10 172.33 3mjl s VAL 120 N -1.55 2.12 -0.21 1.40 1.01 0.13 -1.52 120.40 121.78 3mjl s VAL 120 Ca 0.29 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 3mjl s VAL 120 Cb -0.11 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3mjl s VAL 120 CO 0.22 0.57 -0.03 -0.63 0.00 0.00 0.00 175.10 175.22 3mjl s ILE 121 N -0.01 3.52 -0.34 2.22 1.01 -0.58 0.96 121.20 127.99 3mjl s ILE 121 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3mjl s ILE 121 Cb -0.15 -2.59 0.09 0.00 0.01 0.00 0.00 42.46 39.81 3mjl s ILE 121 CO 0.05 0.43 0.06 0.86 0.00 0.00 0.00 174.94 176.34 3mjl s TRP 122 N 1.30 3.56 -0.32 3.97 -0.11 0.20 -0.91 118.94 126.62 3mjl s TRP 122 Ca 0.04 -2.54 -0.17 0.00 1.22 0.00 0.00 56.10 54.65 3mjl s TRP 122 Cb -0.14 -2.72 -0.02 0.00 -1.50 0.00 0.00 33.47 29.09 3mjl s TRP 122 CO -0.01 -0.92 0.45 0.08 -4.62 0.00 0.00 176.95 171.93 3mjl s VAL 123 N 1.06 5.09 -0.27 5.86 1.01 -0.74 -1.59 120.40 130.83 3mjl s VAL 123 Ca 0.04 0.40 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 3mjl s VAL 123 Cb -0.20 -3.85 0.17 0.00 0.00 0.00 0.00 36.38 32.49 3mjl s VAL 123 CO -0.05 -0.06 1.27 -0.62 0.00 0.00 0.00 175.10 175.63 3mjl s ASP 124 N 1.70 -0.17 0.31 3.32 -1.08 -0.89 -0.76 116.67 119.10 3mjl s ASP 124 Ca 0.17 0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.71 3mjl s ASP 124 Cb -0.16 0.24 0.94 0.00 -1.46 0.00 0.00 42.92 42.48 3mjl s ASP 124 CO 0.12 -0.11 1.77 0.00 0.52 0.00 0.00 175.17 177.47 3mjl h ALA 125 N 2.84 1.00 -3.04 3.66 0.00 -1.74 -2.78 119.26 119.21 3mjl h ALA 125 Ca -0.19 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.08 3mjl h ALA 125 Cb 1.18 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 3mjl h ALA 125 CO 0.21 0.00 -0.75 -1.01 0.00 0.00 0.00 179.25 177.70 3mjl s HIS 126 N -3.30 2.56 -0.12 0.00 3.76 -1.26 -0.35 115.29 116.58 3mjl s HIS 126 Ca 0.06 -0.25 0.14 0.00 -0.15 0.00 0.00 55.06 54.86 3mjl s HIS 126 Cb 0.10 -1.25 0.05 0.00 1.11 0.00 0.00 32.58 32.58 3mjl s HIS 126 CO 0.50 0.51 1.43 1.79 -0.85 0.00 0.00 174.74 178.12 3mjl h THR 127 N 2.85 0.96 -4.74 1.30 1.35 -1.88 -3.47 112.91 109.27 3mjl h THR 127 Ca -0.47 -2.34 -0.39 0.00 -0.55 0.00 0.00 66.41 62.66 3mjl h THR 127 Cb 1.21 2.46 0.01 0.00 -1.73 0.00 0.00 68.15 70.10 3mjl h THR 127 CO 0.53 0.54 -0.58 0.47 -0.25 0.00 0.00 175.52 176.24 3mjl n ASP 128 N -3.25 -5.24 -0.10 5.36 9.92 -1.26 -4.75 116.55 117.23 3mjl n ASP 128 Ca 0.02 -0.29 0.10 0.00 -0.53 0.00 0.00 54.79 54.08 3mjl n ASP 128 Cb 0.75 -4.27 0.14 0.00 -0.64 0.00 0.00 41.12 37.11 3mjl n ASP 128 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mjl n ILE 129 N -4.27 1.86 -1.60 0.53 3.06 -1.21 -0.48 119.36 117.24 3mjl n ILE 129 Ca -0.09 -2.26 -0.35 0.00 -2.50 0.00 0.00 62.75 57.56 3mjl n ILE 129 Cb 0.60 -0.22 0.08 0.00 0.54 0.00 0.00 39.64 40.63 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 4.47 0.39 9.51 0.01 -0.62 -4.43 114.94 121.42 3mjl s ASN 130 Ca 0.32 2.40 0.08 0.00 -0.71 0.00 0.00 52.86 54.94 3mjl s ASN 130 Cb 0.28 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 3mjl s ASN 130 CO 0.03 -2.08 0.43 0.42 -1.51 0.00 0.00 177.10 174.38 3mjl s THR 131 N -1.82 3.07 0.56 1.60 -4.23 -1.26 -4.21 115.64 109.35 3mjl s THR 131 Ca 0.76 -1.21 0.36 0.00 -1.18 0.00 0.00 61.69 60.42 3mjl s THR 131 Cb -0.31 -3.08 0.53 0.00 1.34 0.00 0.00 72.50 70.98 3mjl s THR 131 CO 0.42 -0.05 1.74 -0.65 -0.54 0.00 0.00 174.62 175.54 3mjl h PRO 132 N 0.94 0.00 -0.15 3.99 0.11 -1.94 -0.07 132.00 134.88 3mjl h PRO 132 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3mjl h PRO 132 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3mjl h PRO 132 CO 0.54 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.61 3mjl n LEU 133 N -3.97 2.93 -0.01 2.35 4.77 -1.26 -4.48 117.00 117.32 3mjl n LEU 133 Ca 0.24 -1.20 -0.00 0.00 -0.03 0.00 0.00 56.01 55.03 3mjl n LEU 133 Cb 1.26 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 42.23 3mjl n LEU 133 CO 0.37 0.56 -0.60 0.35 -1.33 0.00 0.00 177.39 176.74 3mjl n THR 134 N 1.21 0.16 -1.41 -5.08 -2.24 -0.18 -5.05 114.28 101.69 3mjl n THR 134 Ca 0.14 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 3mjl n THR 134 Cb 0.53 -0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.46 3mjl n THR 134 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3mjl n THR 135 N -1.94 1.69 -0.07 4.28 5.66 -0.40 -4.85 114.28 118.66 3mjl n THR 135 Ca -0.04 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.38 3mjl n THR 135 Cb 0.41 -0.51 -0.08 0.00 -1.55 0.00 0.00 70.33 68.60 3mjl n THR 135 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3mjl n THR 136 N -1.63 0.83 0.10 1.09 -2.24 -1.26 -4.66 114.28 106.50 3mjl n THR 136 Ca 0.11 -0.42 -0.18 0.00 -2.27 0.00 0.00 64.05 61.28 3mjl n THR 136 Cb 0.47 -0.84 -0.14 0.00 -2.10 0.00 0.00 70.33 67.72 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 0.50 0.00 3.42 4.64 -1.93 -3.48 113.55 116.70 3mjl h SER 137 Ca -0.33 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 3mjl h SER 137 Cb 1.63 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 3mjl h SER 137 CO -0.01 1.48 0.00 0.61 -0.87 0.00 0.00 176.83 178.03 3mjl n GLY 138 N 1.63 0.63 3.69 -0.77 0.00 -1.26 -4.90 105.19 104.21 3mjl n GLY 138 Ca -0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.10 7.14 0.15 1.61 0.01 -1.26 -2.60 114.94 117.88 3mjl s ASN 139 Ca 0.00 1.39 0.22 0.00 -0.71 0.00 0.00 52.86 53.76 3mjl s ASN 139 Cb 0.00 -2.50 0.88 0.00 0.41 0.00 0.00 41.25 40.04 3mjl s ASN 139 CO 0.00 -0.33 1.68 0.18 -1.51 0.00 0.00 177.10 177.12 3mjl n LEU 140 N 4.59 0.42 0.00 0.60 4.77 -0.53 -2.47 117.00 124.38 3mjl n LEU 140 Ca 0.05 0.58 0.08 0.00 -0.03 0.00 0.00 56.01 56.70 3mjl n LEU 140 Cb 0.50 -0.50 0.46 0.00 -2.33 0.00 0.00 43.42 41.54 3mjl n LEU 140 CO 0.50 -0.34 0.72 0.00 -1.33 0.00 0.00 177.39 176.94 3mjl n HIS 141 N -1.94 0.00 -0.58 -1.77 1.44 -0.91 -1.76 115.22 109.69 3mjl n HIS 141 Ca 0.04 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.81 3mjl n HIS 141 Cb 0.26 -0.15 0.15 0.00 0.12 0.00 0.00 29.99 30.37 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 0.08 3.68 0.00 -1.39 0.00 -1.03 -4.40 105.19 102.13 3mjl n GLY 142 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.46 0.28 0.07 1.61 6.02 -0.72 -1.59 117.38 122.59 3mjl n GLN 143 Ca 0.13 -0.58 0.03 0.00 -0.01 0.00 0.00 57.00 56.58 3mjl n GLN 143 Cb 0.57 -0.78 0.42 0.00 1.02 0.00 0.00 30.24 31.47 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 0.37 -0.04 -1.09 0.13 -1.49 -2.64 132.00 127.25 3mjl h PRO 144 Ca 0.00 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 3mjl h PRO 144 Cb 0.40 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 3mjl h PRO 144 CO 0.00 0.35 -0.59 0.28 -0.23 0.00 0.00 178.00 177.81 3mjl h VAL 145 N 0.37 1.40 -0.45 1.56 2.07 -1.08 -2.83 116.25 117.29 3mjl h VAL 145 Ca 0.09 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 3mjl h VAL 145 Cb 0.14 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3mjl h VAL 145 CO -0.00 0.57 0.24 0.77 0.02 0.00 0.00 177.57 179.17 3mjl h SER 146 N 0.10 0.57 0.18 0.57 4.64 -1.60 -0.85 113.55 117.15 3mjl h SER 146 Ca -0.00 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3mjl h SER 146 Cb 1.06 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3mjl h SER 146 CO 0.08 0.50 -0.06 -0.26 -0.87 0.00 0.00 176.83 176.23 3mjl h PHE 147 N 0.59 0.00 0.00 4.77 -1.00 -1.52 -3.00 116.94 116.78 3mjl h PHE 147 Ca 0.16 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.71 3mjl h PHE 147 Cb 0.07 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.59 3mjl h PHE 147 CO -0.02 0.06 -1.43 -0.07 -1.61 0.00 0.00 178.31 175.24 3mjl h LEU 148 N 0.00 0.00 -9.24 1.54 3.38 -0.97 -3.36 115.31 106.65 3mjl h LEU 148 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3mjl h LEU 148 Cb 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3mjl h LEU 148 CO 0.01 0.82 0.50 -0.76 0.09 0.00 0.00 178.44 179.09 3mjl s LEU 149 N -6.09 4.23 0.15 1.67 1.43 -0.51 -0.43 118.68 119.13 3mjl s LEU 149 Ca -0.03 1.43 -0.21 0.00 -1.03 0.00 0.00 54.13 54.30 3mjl s LEU 149 Cb 0.08 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.88 3mjl s LEU 149 CO 0.81 -0.42 1.66 0.11 0.23 0.00 0.00 176.35 178.75 3mjl h LYS 150 N 7.13 -0.14 0.00 1.70 1.57 -1.48 -1.90 116.57 123.45 3mjl h LYS 150 Ca -0.31 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3mjl h LYS 150 Cb 1.15 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3mjl h LYS 150 CO 0.84 -0.09 0.00 0.39 -0.57 0.00 0.00 179.45 180.02 3mjl n GLU 151 N -5.32 0.01 -0.00 3.15 4.71 -1.26 -1.64 120.64 120.29 3mjl n GLU 151 Ca -0.01 0.43 0.08 0.00 -0.01 0.00 0.00 57.16 57.65 3mjl n GLU 151 Cb 0.24 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.23 3mjl n GLU 151 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3mjl n LEU 152 N -1.47 2.31 -4.72 -4.62 7.94 -0.72 -4.94 117.00 110.79 3mjl n LEU 152 Ca 0.01 -1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 53.48 3mjl n LEU 152 Cb 0.03 -0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.95 3mjl n LEU 152 CO 0.02 0.42 1.32 -0.75 -1.11 0.00 0.00 177.39 177.29 3mjl s LYS 153 N -1.31 4.14 0.00 1.96 2.36 -0.65 -0.50 119.74 125.75 3mjl s LYS 153 Ca 0.18 2.55 0.00 0.00 -2.55 0.00 0.00 55.97 56.16 3mjl s LYS 153 Cb 0.13 -3.08 0.00 0.00 -1.05 0.00 0.00 37.83 33.83 3mjl s LYS 153 CO 0.20 -0.70 0.00 0.41 1.55 0.00 0.00 175.35 176.81 3mjl n GLY 154 N 3.61 0.35 0.01 5.54 0.00 -1.26 -4.80 105.19 108.63 3mjl n GLY 154 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 0.44 -2.93 1.61 4.76 0.34 -4.92 118.16 115.45 3mjl n LYS 155 Ca 0.00 -0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 54.90 3mjl n LYS 155 Cb 0.00 -1.33 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 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 -2.94 4.73 0.65 -0.18 -1.09 -1.17 -4.78 121.20 116.42 3mjl s ILE 156 Ca -0.05 1.00 -0.15 0.00 -2.23 0.00 0.00 60.65 59.22 3mjl s ILE 156 Cb 0.09 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 3mjl s ILE 156 CO 0.57 -0.40 1.11 -2.16 -1.23 0.00 0.00 174.94 172.83 3mjl s PRO 157 N 3.12 2.86 -0.68 2.79 0.04 -1.26 -4.89 135.00 136.98 3mjl s PRO 157 Ca 0.33 1.40 -0.26 0.00 0.04 0.00 0.00 61.00 62.50 3mjl s PRO 157 Cb -0.13 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 3mjl s PRO 157 CO 0.16 -1.20 2.26 -0.51 0.04 0.00 0.00 177.00 177.75 3mjl s ASP 158 N -2.54 4.46 -0.19 6.66 1.01 -1.26 -4.93 116.67 119.88 3mjl s ASP 158 Ca 0.67 0.35 -0.09 0.00 0.71 0.00 0.00 52.55 54.19 3mjl s ASP 158 Cb -0.21 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.15 3mjl s ASP 158 CO 0.40 -3.15 0.10 -0.69 0.21 0.00 0.00 175.17 172.04 3mjl s VAL 159 N 12.40 5.14 0.26 -1.27 1.01 -1.26 -5.05 120.40 131.62 3mjl s VAL 159 Ca 0.87 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 3mjl s VAL 159 Cb -0.13 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 3mjl s VAL 159 CO 0.15 0.46 1.44 -2.84 0.00 0.00 0.00 175.10 174.31 3mjl s PRO 160 N 0.28 4.26 0.00 2.72 0.02 -1.26 -1.91 135.00 139.11 3mjl s PRO 160 Ca 0.06 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.40 3mjl s PRO 160 Cb -0.12 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3mjl s PRO 160 CO -0.01 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 3mjl n GLY 161 N 2.11 2.55 0.67 0.52 0.00 -1.26 -3.14 105.19 106.64 3mjl n GLY 161 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.66 0.47 1.14 1.61 3.01 -0.80 -4.06 117.46 118.17 3mjl n PHE 162 Ca 0.00 -1.29 0.14 0.00 1.01 0.00 0.00 57.45 57.30 3mjl n PHE 162 Cb 0.00 -0.30 0.65 0.00 -0.01 0.00 0.00 39.48 39.82 3mjl n PHE 162 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3mjl n SER 163 N -1.10 0.00 0.09 4.37 3.41 -1.26 -1.37 113.62 117.75 3mjl n SER 163 Ca 0.23 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 59.15 3mjl n SER 163 Cb 0.81 -0.40 0.45 0.00 -0.26 0.00 0.00 64.21 64.81 3mjl n SER 163 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3mjl n TRP 164 N -1.40 0.60 -3.00 7.33 4.27 -1.26 -4.84 117.44 119.14 3mjl n TRP 164 Ca 0.10 0.21 -0.40 0.00 -3.89 0.00 0.00 57.50 53.52 3mjl n TRP 164 Cb 0.28 -0.84 -0.05 0.00 -1.36 0.00 0.00 31.31 29.33 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 -3.17 4.82 -0.14 -1.67 1.01 -0.47 -5.04 120.40 115.73 3mjl s VAL 165 Ca 0.07 1.58 -0.00 0.00 0.00 0.00 0.00 61.98 63.63 3mjl s VAL 165 Cb 0.11 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3mjl s VAL 165 CO 0.43 0.34 -0.07 -0.89 0.00 0.00 0.00 175.10 174.90 3mjl s THR 166 N 0.16 1.13 -0.23 3.92 2.01 -1.26 -5.10 115.64 116.27 3mjl s THR 166 Ca 0.38 -0.49 -0.41 0.00 0.31 0.00 0.00 61.69 61.48 3mjl s THR 166 Cb -0.20 -1.21 -0.17 0.00 0.01 0.00 0.00 72.50 70.93 3mjl s THR 166 CO 0.22 0.26 1.56 -2.65 -0.69 0.00 0.00 174.62 173.32 3mjl n PRO 167 N 4.89 0.75 -0.03 4.92 -0.02 -1.26 -4.87 135.00 139.39 3mjl n PRO 167 Ca -0.13 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.64 3mjl n PRO 167 Cb 0.49 -1.89 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.08 0.02 0.34 0.00 -0.00 -0.91 -5.00 121.20 114.58 3mjl s ILE 169 Ca 0.05 -0.15 -0.09 0.00 -0.00 0.00 0.00 60.65 60.46 3mjl s ILE 169 Cb 0.04 -0.36 -0.06 0.00 -0.00 0.00 0.00 42.46 42.07 3mjl s ILE 169 CO 0.00 -0.08 0.67 -0.44 -0.00 0.00 0.00 174.94 175.09 3mjl s SER 170 N -0.24 6.54 0.47 4.36 0.01 -1.26 -1.35 113.70 122.23 3mjl s SER 170 Ca -0.03 0.99 0.26 0.00 1.31 0.00 0.00 55.95 58.48 3mjl s SER 170 Cb -0.03 -2.26 1.30 0.00 0.21 0.00 0.00 66.02 65.24 3mjl s SER 170 CO 0.01 -0.27 1.82 0.00 0.41 0.00 0.00 173.24 175.21 3mjl h ALA 171 N 1.67 2.59 0.00 1.44 0.00 -1.97 0.13 119.26 123.12 3mjl h ALA 171 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3mjl h ALA 171 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3mjl h ALA 171 CO 0.65 -0.92 0.00 0.36 0.00 0.00 0.00 179.25 179.34 3mjl n LYS 172 N -4.41 0.07 -0.83 0.00 2.85 -1.26 -3.77 118.16 110.80 3mjl n LYS 172 Ca 0.23 0.06 -0.05 0.00 -1.05 0.00 0.00 58.31 57.49 3mjl n LYS 172 Cb 0.95 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 34.05 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 -1.46 3.06 -3.88 -5.58 8.00 0.46 -4.96 116.55 112.19 3mjl n ASP 173 Ca 0.07 -3.59 -0.13 0.00 0.71 0.00 0.00 54.79 51.86 3mjl n ASP 173 Cb 0.28 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 40.58 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 -3.17 0.05 -0.08 0.53 2.07 -1.25 0.18 121.20 119.53 3mjl s ILE 174 Ca 0.47 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.72 3mjl s ILE 174 Cb 0.41 -0.05 0.01 0.00 0.13 0.00 0.00 42.46 42.95 3mjl s ILE 174 CO 0.04 0.02 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.23 3mjl s VAL 175 N 0.01 1.49 -0.02 4.00 1.01 0.27 -3.75 120.40 123.41 3mjl s VAL 175 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 3mjl s VAL 175 Cb -0.01 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3mjl s VAL 175 CO -0.00 0.43 0.33 -0.31 0.00 0.00 0.00 175.10 175.56 3mjl s TYR 176 N 0.56 3.68 -0.05 5.22 2.02 -0.77 0.58 117.35 128.59 3mjl s TYR 176 Ca -0.16 0.85 0.00 0.00 -0.37 0.00 0.00 57.07 57.39 3mjl s TYR 176 Cb -0.17 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 39.24 3mjl s TYR 176 CO 0.05 0.66 -0.03 0.42 -1.57 0.00 0.00 175.55 175.08 3mjl s ILE 177 N -1.10 0.48 0.00 2.71 1.01 -0.62 -0.04 121.20 123.64 3mjl s ILE 177 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.82 3mjl s ILE 177 Cb -0.15 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.78 3mjl s ILE 177 CO 0.11 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3mjl n GLY 178 N 4.29 0.40 3.61 6.18 0.00 0.23 -2.09 105.19 117.80 3mjl n GLY 178 Ca -0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 3mjl n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mjl n LEU 179 N 0.00 2.03 0.00 0.99 4.77 -1.05 -4.23 117.00 119.51 3mjl n LEU 179 Ca 0.00 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 3mjl n LEU 179 Cb 0.00 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 3mjl n LEU 179 CO 0.00 -1.14 0.00 -2.11 -1.33 0.00 0.00 177.39 172.81 3mjl n ARG 180 N 1.36 0.00 -3.27 3.23 1.85 0.53 -1.63 116.66 118.73 3mjl n ARG 180 Ca 0.12 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.74 3mjl n ARG 180 Cb 0.29 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.62 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 -0.98 -4.52 2.89 2.03 -0.58 -5.06 116.55 110.33 3mjl n ASP 181 Ca 0.00 -2.48 -0.34 0.00 0.52 0.00 0.00 54.79 52.49 3mjl n ASP 181 Cb 0.35 -0.16 -0.12 0.00 -0.72 0.00 0.00 41.12 40.47 3mjl n ASP 181 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3mjl s VAL 182 N 0.15 4.00 0.57 5.18 1.01 -1.26 -4.52 120.40 125.53 3mjl s VAL 182 Ca 0.33 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 3mjl s VAL 182 Cb 0.04 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3mjl s VAL 182 CO -0.17 0.49 1.04 -1.81 0.00 0.00 0.00 175.10 174.65 3mjl s ASP 183 N 0.34 5.98 0.26 3.32 1.01 -1.26 -4.84 116.67 121.49 3mjl s ASP 183 Ca -0.03 1.78 -0.01 0.00 0.71 0.00 0.00 52.55 55.00 3mjl s ASP 183 Cb -0.14 -2.53 0.51 0.00 1.01 0.00 0.00 42.92 41.77 3mjl s ASP 183 CO 0.03 -1.03 1.80 -0.65 0.21 0.00 0.00 175.17 175.52 3mjl h PRO 184 N 0.61 0.76 -0.32 8.23 0.11 -1.99 0.04 132.00 139.44 3mjl h PRO 184 Ca -0.47 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.46 3mjl h PRO 184 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3mjl h PRO 184 CO 0.58 0.50 -0.33 0.78 -0.21 0.00 0.00 178.00 179.32 3mjl h GLY 185 N 0.78 0.77 1.62 -0.55 0.00 -1.94 -1.89 103.07 101.86 3mjl h GLY 185 Ca 0.46 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3mjl h GLY 185 CO -0.30 0.66 -0.08 0.83 0.00 0.00 0.00 176.54 177.65 3mjl h GLU 186 N 0.60 0.46 -0.07 4.80 5.08 -1.64 -2.03 114.58 121.77 3mjl h GLU 186 Ca 0.06 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3mjl h GLU 186 Cb 0.85 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3mjl h GLU 186 CO 0.07 0.55 -0.19 1.25 -1.00 0.00 0.00 179.01 179.69 3mjl h HIS 187 N 0.44 0.34 -0.99 4.33 2.76 -0.76 -1.72 115.15 119.54 3mjl h HIS 187 Ca 0.09 -0.13 0.15 0.00 -2.20 0.00 0.00 60.37 58.28 3mjl h HIS 187 Cb 0.41 -0.06 -0.09 0.00 1.55 0.00 0.00 27.41 29.22 3mjl h HIS 187 CO 0.01 0.80 0.62 -0.92 -1.30 0.00 0.00 177.93 177.15 3mjl h TYR 188 N -0.23 1.08 -0.17 5.26 3.20 -1.21 -1.36 116.97 123.55 3mjl h TYR 188 Ca -0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3mjl h TYR 188 Cb 0.80 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3mjl h TYR 188 CO 0.12 0.36 -0.29 0.82 -1.64 0.00 0.00 178.16 177.53 3mjl h ILE 189 N 0.88 1.35 -0.01 1.81 2.04 -1.28 0.14 117.51 122.44 3mjl h ILE 189 Ca 0.52 -1.53 0.03 0.00 1.00 0.00 0.00 64.86 64.89 3mjl h ILE 189 Cb 0.67 1.93 -0.06 0.00 -0.74 0.00 0.00 36.82 38.62 3mjl h ILE 189 CO -0.30 0.46 -0.44 -0.07 0.00 0.00 0.00 178.15 177.81 3mjl h LEU 190 N 0.13 -1.33 -0.72 1.44 3.38 -0.55 -0.73 115.31 116.93 3mjl h LEU 190 Ca 0.01 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3mjl h LEU 190 Cb 0.88 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 3mjl h LEU 190 CO 0.07 -0.47 0.38 0.11 0.09 0.00 0.00 178.44 178.62 3mjl h LYS 191 N -0.59 1.02 -0.01 1.13 1.79 -1.33 -0.73 116.57 117.84 3mjl h LYS 191 Ca 0.04 -0.13 -0.18 0.00 -2.18 0.00 0.00 60.65 58.21 3mjl h LYS 191 Cb 0.66 -0.19 0.01 0.00 -1.58 0.00 0.00 32.23 31.13 3mjl h LYS 191 CO -0.33 0.77 -0.68 1.15 -1.08 0.00 0.00 179.45 179.29 3mjl h THR 192 N 1.00 1.39 0.00 -0.16 2.02 -0.39 -3.14 112.91 113.63 3mjl h THR 192 Ca 0.25 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.34 3mjl h THR 192 Cb 0.07 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3mjl h THR 192 CO -0.04 0.62 -0.01 0.18 0.37 0.00 0.00 175.52 176.64 3mjl n LEU 193 N -4.15 0.51 -2.50 2.58 4.77 -0.31 -4.94 117.00 112.97 3mjl n LEU 193 Ca -0.10 0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 56.26 3mjl n LEU 193 Cb 0.71 -0.38 0.05 0.00 -2.33 0.00 0.00 43.42 41.46 3mjl n LEU 193 CO 0.48 -0.11 0.14 0.61 -1.33 0.00 0.00 177.39 177.18 3mjl n GLY 194 N 1.38 -0.07 3.71 -0.72 0.00 -0.38 -4.86 105.19 104.25 3mjl n GLY 194 Ca 0.06 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.17 3.68 0.20 -0.61 1.09 -0.64 -4.88 121.20 116.86 3mjl s ILE 195 Ca 0.36 1.17 -0.31 0.00 -1.10 0.00 0.00 60.65 60.78 3mjl s ILE 195 Cb -0.16 -3.75 -0.10 0.00 -1.06 0.00 0.00 42.46 37.39 3mjl s ILE 195 CO 0.45 0.07 1.52 -0.75 -0.10 0.00 0.00 174.94 176.12 3mjl s LYS 196 N 1.41 4.23 0.03 2.79 2.47 -1.25 -4.84 119.74 124.59 3mjl s LYS 196 Ca 0.62 2.33 -0.02 0.00 -1.56 0.00 0.00 55.97 57.35 3mjl s LYS 196 Cb -0.33 -3.14 -0.03 0.00 -1.46 0.00 0.00 37.83 32.88 3mjl s LYS 196 CO 0.29 -0.54 -0.00 1.52 0.16 0.00 0.00 175.35 176.78 3mjl s TYR 197 N 0.70 0.34 -0.53 4.03 -0.85 -1.26 -1.85 117.35 117.93 3mjl s TYR 197 Ca 0.66 -0.73 0.04 0.00 -0.52 0.00 0.00 57.07 56.52 3mjl s TYR 197 Cb -0.43 -0.25 0.14 0.00 0.38 0.00 0.00 41.96 41.80 3mjl s TYR 197 CO 0.36 -0.30 0.31 -0.06 -1.52 0.00 0.00 175.55 174.34 3mjl s PHE 198 N -2.62 2.79 1.02 -3.49 0.40 0.94 -4.93 117.98 112.09 3mjl s PHE 198 Ca -0.05 -2.94 -0.13 0.00 -0.60 0.00 0.00 56.93 53.21 3mjl s PHE 198 Cb -0.01 -2.40 0.20 0.00 0.51 0.00 0.00 43.02 41.31 3mjl s PHE 198 CO -0.05 -0.71 1.09 -1.54 0.70 0.00 0.00 175.22 174.71 3mjl s SER 199 N -0.35 2.45 0.49 1.36 1.04 -1.26 -0.60 113.70 116.83 3mjl s SER 199 Ca 0.20 1.16 0.24 0.00 0.48 0.00 0.00 55.95 58.03 3mjl s SER 199 Cb -0.19 -1.83 1.30 0.00 0.10 0.00 0.00 66.02 65.40 3mjl s SER 199 CO -0.05 -3.24 1.93 0.24 0.98 0.00 0.00 173.24 173.10 3mjl h MET 200 N -1.96 0.14 -0.16 4.02 2.86 -1.48 -1.76 114.93 116.59 3mjl h MET 200 Ca -0.55 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.12 3mjl h MET 200 Cb 1.33 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.91 3mjl h MET 200 CO 0.58 0.09 -0.14 1.15 1.06 0.00 0.00 176.91 179.65 3mjl h THR 201 N 0.15 0.61 -0.48 2.22 2.02 -1.90 0.07 112.91 115.59 3mjl h THR 201 Ca 0.36 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.51 3mjl h THR 201 Cb 1.21 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3mjl h THR 201 CO -0.05 0.00 0.17 -0.33 0.37 0.00 0.00 175.52 175.67 3mjl h GLU 202 N -0.16 0.74 -0.71 6.66 3.07 -1.67 0.04 114.58 122.56 3mjl h GLU 202 Ca 0.10 -0.15 0.09 0.00 -0.50 0.00 0.00 59.36 58.90 3mjl h GLU 202 Cb 0.31 -0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.04 3mjl h GLU 202 CO -0.25 0.69 0.36 0.28 -1.40 0.00 0.00 179.01 178.68 3mjl h VAL 203 N 0.64 0.87 -0.55 3.13 2.07 -1.22 0.72 116.25 121.93 3mjl h VAL 203 Ca 0.16 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3mjl h VAL 203 Cb 0.24 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3mjl h VAL 203 CO -0.01 0.11 0.23 0.44 0.02 0.00 0.00 177.57 178.36 3mjl h ASP 204 N 0.63 0.74 0.16 0.57 3.32 -0.67 -0.21 116.42 120.95 3mjl h ASP 204 Ca 0.34 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3mjl h ASP 204 Cb 0.34 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3mjl h ASP 204 CO -0.25 0.70 -0.08 -0.09 -1.72 0.00 0.00 179.24 177.80 3mjl h ARG 205 N 0.74 -0.20 0.00 3.56 2.43 -0.02 -3.35 114.38 117.53 3mjl h ARG 205 Ca 0.18 0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 59.15 3mjl h ARG 205 Cb 0.18 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3mjl h ARG 205 CO -0.02 0.14 -1.44 -0.07 -1.51 0.00 0.00 179.97 177.08 3mjl h LEU 206 N -0.58 0.00 0.00 3.80 3.38 0.35 -3.51 115.31 118.75 3mjl h LEU 206 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3mjl h LEU 206 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3mjl h LEU 206 CO 0.04 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.96 3mjl n GLY 207 N 1.44 -1.19 0.21 0.83 0.00 -0.09 -4.27 105.19 102.13 3mjl n GLY 207 Ca -0.11 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.51 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 0.43 -0.08 -0.61 6.09 -1.94 -2.49 117.51 118.92 3mjl h ILE 208 Ca 0.00 -1.22 0.01 0.00 -1.37 0.00 0.00 64.86 62.28 3mjl h ILE 208 Cb 0.00 1.90 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 3mjl h ILE 208 CO 0.00 0.20 -0.01 1.23 -3.07 0.00 0.00 178.15 176.51 3mjl h GLY 209 N 2.68 0.07 2.00 8.18 0.00 -1.95 -1.88 103.07 112.17 3mjl h GLY 209 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3mjl h GLY 209 CO 0.03 -0.02 -0.44 1.70 0.00 0.00 0.00 176.54 177.81 3mjl h LYS 210 N 0.02 0.00 -0.42 4.80 3.11 -1.68 -2.64 116.57 119.76 3mjl h LYS 210 Ca 0.04 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.83 3mjl h LYS 210 Cb 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 3mjl h LYS 210 CO -0.07 0.44 0.05 0.28 -2.81 0.00 0.00 179.45 177.35 3mjl h VAL 211 N 0.00 1.21 0.17 2.00 2.07 -1.06 -0.47 116.25 120.16 3mjl h VAL 211 Ca -0.00 -0.78 -0.30 0.00 0.82 0.00 0.00 66.70 66.43 3mjl h VAL 211 Cb 0.96 0.83 0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3mjl h VAL 211 CO 0.06 0.28 -1.32 0.24 0.02 0.00 0.00 177.57 176.85 3mjl h MET 212 N 0.62 0.48 -0.25 1.57 2.86 -1.06 0.16 114.93 119.30 3mjl h MET 212 Ca 0.13 -0.74 0.01 0.00 -2.06 0.00 0.00 59.70 57.05 3mjl h MET 212 Cb 0.31 0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 3mjl h MET 212 CO 0.00 1.34 0.14 1.49 1.06 0.00 0.00 176.91 180.94 3mjl h GLU 213 N 0.17 0.28 -0.27 1.72 4.81 -1.40 0.16 114.58 120.05 3mjl h GLU 213 Ca -0.19 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 58.85 3mjl h GLU 213 Cb 2.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.33 3mjl h GLU 213 CO 0.24 0.18 -0.48 0.93 -0.73 0.00 0.00 179.01 179.15 3mjl h GLU 214 N 0.29 0.81 -0.26 1.92 5.08 -1.09 -1.04 114.58 120.29 3mjl h GLU 214 Ca 0.10 -0.50 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3mjl h GLU 214 Cb 0.01 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3mjl h GLU 214 CO -0.06 1.14 0.03 1.15 -1.00 0.00 0.00 179.01 180.27 3mjl h THR 215 N 0.57 0.86 -0.08 1.13 2.02 -0.52 -0.86 112.91 116.03 3mjl h THR 215 Ca 0.02 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.99 3mjl h THR 215 Cb 1.09 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 3mjl h THR 215 CO 0.11 0.02 -0.67 -0.07 0.37 0.00 0.00 175.52 175.28 3mjl h LEU 216 N 0.12 0.39 -0.53 2.58 3.38 -0.61 -0.60 115.31 120.05 3mjl h LEU 216 Ca 0.12 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3mjl h LEU 216 Cb 0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3mjl h LEU 216 CO -0.17 0.95 -0.08 -1.28 0.09 0.00 0.00 178.44 177.95 3mjl h SER 217 N 0.24 0.98 -0.10 -0.43 0.87 -1.17 0.64 113.55 114.57 3mjl h SER 217 Ca -0.02 -0.34 -0.08 0.00 -1.23 0.00 0.00 61.79 60.12 3mjl h SER 217 Cb 1.22 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 3mjl h SER 217 CO 0.11 1.09 -0.19 0.22 -0.53 0.00 0.00 176.83 177.53 3mjl h TYR 218 N 0.85 0.54 0.01 2.24 3.20 -0.71 0.28 116.97 123.38 3mjl h TYR 218 Ca 0.14 -0.10 -0.26 0.00 3.14 0.00 0.00 58.73 61.65 3mjl h TYR 218 Cb 0.63 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 3mjl h TYR 218 CO 0.05 0.66 -1.43 -0.07 -1.64 0.00 0.00 178.16 175.72 3mjl h LEU 219 N 0.45 0.03 -1.75 2.82 3.38 -0.88 -3.40 115.31 115.96 3mjl h LEU 219 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3mjl h LEU 219 Cb 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3mjl h LEU 219 CO 0.04 1.05 0.00 0.18 0.09 0.00 0.00 178.44 179.80 3mjl n LEU 220 N -3.20 1.79 0.00 1.67 4.77 0.22 -4.83 117.00 117.43 3mjl n LEU 220 Ca -0.11 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 3mjl n LEU 220 Cb 1.01 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 3mjl n LEU 220 CO 0.46 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3mjl n GLY 221 N 0.24 -0.21 0.00 -0.72 0.00 0.08 -3.60 105.19 100.99 3mjl n GLY 221 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 3mjl n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mjl n ARG 222 N 0.00 -0.00 -3.64 1.61 1.74 -1.26 -4.45 116.66 110.66 3mjl n ARG 222 Ca 0.00 0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.93 3mjl n ARG 222 Cb 0.00 -0.01 -0.07 0.00 -1.02 0.00 0.00 32.46 31.35 3mjl n ARG 222 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3mjl s LYS 223 N -4.92 0.86 0.39 5.56 -2.85 -1.24 -5.14 119.74 112.41 3mjl s LYS 223 Ca -0.00 0.06 -0.25 0.00 -1.00 0.00 0.00 55.97 54.78 3mjl s LYS 223 Cb 0.00 0.40 -0.11 0.00 -2.06 0.00 0.00 37.83 36.06 3mjl s LYS 223 CO 0.00 -0.25 1.06 1.63 0.10 0.00 0.00 175.35 177.89 3mjl n LYS 224 N 1.13 1.47 -3.52 1.78 4.01 -1.25 -4.56 118.16 117.23 3mjl n LYS 224 Ca -0.20 0.52 -0.10 0.00 -0.51 0.00 0.00 58.31 58.02 3mjl n LYS 224 Cb 0.56 -2.07 -0.02 0.00 -0.51 0.00 0.00 35.03 32.99 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 -1.95 1.32 0.56 1.97 1.04 -1.26 -5.10 118.95 115.53 3mjl s ARG 225 Ca 0.62 -0.55 -0.21 0.00 -1.04 0.00 0.00 55.73 54.54 3mjl s ARG 225 Cb -0.57 0.56 -0.05 0.00 -2.04 0.00 0.00 34.95 32.86 3mjl s ARG 225 CO 0.58 -0.59 1.31 -2.30 -0.04 0.00 0.00 175.30 174.26 3mjl n PRO 226 N -0.38 1.53 -5.15 3.89 -0.02 -1.26 -4.79 135.00 128.82 3mjl n PRO 226 Ca -0.13 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 3mjl n PRO 226 Cb 0.63 -2.52 -0.16 0.00 -0.02 0.00 0.00 33.50 31.44 3mjl n PRO 226 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mjl s ILE 227 N -1.32 2.32 -0.38 4.25 1.01 -0.33 -1.33 121.20 125.42 3mjl s ILE 227 Ca 0.73 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 3mjl s ILE 227 Cb -0.42 -1.87 0.06 0.00 0.01 0.00 0.00 42.46 40.24 3mjl s ILE 227 CO 0.48 0.56 0.18 -2.28 0.00 0.00 0.00 174.94 173.88 3mjl s HIS 228 N -0.09 3.33 -0.37 3.97 5.65 -0.58 0.56 115.29 127.76 3mjl s HIS 228 Ca -0.05 -1.57 -0.19 0.00 0.25 0.00 0.00 55.06 53.50 3mjl s HIS 228 Cb -0.14 -2.66 0.00 0.00 -1.18 0.00 0.00 32.58 28.60 3mjl s HIS 228 CO 0.04 -0.80 0.56 -1.17 -0.65 0.00 0.00 174.74 172.72 3mjl s LEU 229 N 1.38 4.39 -0.40 8.88 2.96 -0.38 -1.52 118.68 133.99 3mjl s LEU 229 Ca 0.01 -0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.69 3mjl s LEU 229 Cb -0.21 -2.64 0.02 0.00 0.50 0.00 0.00 46.19 43.85 3mjl s LEU 229 CO 0.02 -0.56 0.30 -0.55 -1.32 0.00 0.00 176.35 174.23 3mjl s SER 230 N 1.81 6.11 -0.25 3.68 0.15 -0.09 -0.71 113.70 124.41 3mjl s SER 230 Ca 0.20 -0.85 -0.06 0.00 0.70 0.00 0.00 55.95 55.95 3mjl s SER 230 Cb -0.15 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 3mjl s SER 230 CO 0.15 -0.43 0.02 0.12 1.20 0.00 0.00 173.24 174.29 3mjl s PHE 231 N 1.70 3.05 -0.36 3.44 2.19 0.25 -1.78 117.98 126.46 3mjl s PHE 231 Ca 0.05 -0.82 -0.19 0.00 0.33 0.00 0.00 56.93 56.31 3mjl s PHE 231 Cb -0.19 -2.18 0.00 0.00 -1.31 0.00 0.00 43.02 39.34 3mjl s PHE 231 CO 0.10 -0.50 0.55 0.34 1.83 0.00 0.00 175.22 177.54 3mjl s ASP 232 N 1.52 6.34 0.62 6.13 -1.08 0.06 -1.56 116.67 128.69 3mjl s ASP 232 Ca 0.05 -0.04 0.29 0.00 -0.52 0.00 0.00 52.55 52.33 3mjl s ASP 232 Cb -0.15 -2.28 1.59 0.00 -1.46 0.00 0.00 42.92 40.61 3mjl s ASP 232 CO 0.00 -0.54 1.96 -0.37 0.52 0.00 0.00 175.17 176.74 3mjl h VAL 233 N 5.66 0.25 0.00 1.11 -1.51 -1.77 0.31 116.25 120.29 3mjl h VAL 233 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3mjl h VAL 233 Cb 1.12 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3mjl h VAL 233 CO 0.80 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.24 3mjl n ASP 234 N -3.42 0.00 0.13 4.19 3.85 -1.26 -1.47 116.55 118.57 3mjl n ASP 234 Ca 0.03 -0.25 -0.02 0.00 -0.71 0.00 0.00 54.79 53.85 3mjl n ASP 234 Cb 0.48 -0.10 0.19 0.00 -1.35 0.00 0.00 41.12 40.34 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 2.19 0.07 -2.43 6.12 0.00 -0.64 -3.33 103.07 105.05 3mjl h GLY 235 Ca 0.00 -0.08 -0.49 0.00 0.00 0.00 0.00 47.33 46.76 3mjl h GLY 235 CO 0.00 0.07 0.16 1.08 0.00 0.00 0.00 176.54 177.85 3mjl s LEU 236 N -7.80 3.85 0.33 3.11 1.43 -0.54 -2.07 118.68 116.99 3mjl s LEU 236 Ca -0.02 1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 54.03 3mjl s LEU 236 Cb 0.13 -4.11 -0.11 0.00 0.03 0.00 0.00 46.19 42.13 3mjl s LEU 236 CO 0.76 -0.39 1.42 -0.62 0.23 0.00 0.00 176.35 177.76 3mjl s ASP 237 N -2.95 6.55 0.00 2.29 -1.08 0.19 -4.64 116.67 117.04 3mjl s ASP 237 Ca 0.53 2.85 0.02 0.00 -0.52 0.00 0.00 52.55 55.43 3mjl s ASP 237 Cb -0.10 -2.65 0.10 0.00 -1.46 0.00 0.00 42.92 38.81 3mjl s ASP 237 CO 0.28 -0.73 0.81 -0.81 0.52 0.00 0.00 175.17 175.24 3mjl n PRO 238 N 1.02 0.03 0.00 4.34 -0.04 -1.26 0.58 135.00 139.68 3mjl n PRO 238 Ca 0.02 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 3mjl n PRO 238 Cb 0.40 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.91 3mjl n PRO 238 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mjl n SER 239 N -1.22 0.00 -0.03 3.54 3.41 -1.26 -2.09 113.62 115.97 3mjl n SER 239 Ca 0.01 0.40 -0.03 0.00 -0.26 0.00 0.00 58.87 58.99 3mjl n SER 239 Cb 0.01 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.46 0.00 -3.18 7.33 3.72 0.20 -4.85 117.46 119.21 3mjl n PHE 240 Ca 0.07 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.24 3mjl n PHE 240 Cb 0.27 -0.25 -0.05 0.00 -0.94 0.00 0.00 39.48 38.51 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 -2.40 0.71 -0.05 4.37 -2.24 -0.97 -3.68 114.28 110.00 3mjl n THR 241 Ca -0.10 -4.70 -0.04 0.00 -2.27 0.00 0.00 64.05 56.93 3mjl n THR 241 Cb 0.65 -1.32 0.17 0.00 -2.10 0.00 0.00 70.33 67.73 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 3.51 0.66 -4.35 -0.78 0.13 -1.67 -3.37 132.00 126.12 3mjl h PRO 242 Ca 0.11 -0.21 -0.63 0.00 -0.87 0.00 0.00 66.00 64.40 3mjl h PRO 242 Cb 0.80 -0.06 0.04 0.00 0.13 0.00 0.00 31.00 31.92 3mjl h PRO 242 CO 0.61 0.77 2.37 0.00 -0.23 0.00 0.00 178.00 181.51 3mjl n ALA 243 N -2.48 3.55 -3.23 -0.56 0.00 -1.26 -4.77 120.51 111.75 3mjl n ALA 243 Ca 0.01 -3.21 -0.13 0.00 0.00 0.00 0.00 53.44 50.11 3mjl n ALA 243 Cb 0.36 -3.57 -0.09 0.00 0.00 0.00 0.00 19.45 16.15 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 4.76 0.05 0.40 0.00 -1.32 -1.26 0.17 115.64 118.45 3mjl s THR 244 Ca 0.55 -0.45 0.08 0.00 -1.21 0.00 0.00 61.69 60.65 3mjl s THR 244 Cb 0.14 -0.59 0.23 0.00 -1.51 0.00 0.00 72.50 70.77 3mjl s THR 244 CO 0.09 -0.25 2.01 1.23 -2.21 0.00 0.00 174.62 175.49 3mjl h GLY 245 N 4.01 0.48 -6.66 6.08 0.00 -1.88 -3.36 103.07 101.74 3mjl h GLY 245 Ca -0.29 -0.21 -0.60 0.00 0.00 0.00 0.00 47.33 46.22 3mjl h GLY 245 CO 0.39 0.20 -0.84 -0.51 0.00 0.00 0.00 176.54 175.79 3mjl s THR 246 N -5.24 0.95 0.36 4.70 -4.23 -1.26 -5.10 115.64 105.82 3mjl s THR 246 Ca -0.07 -2.71 -0.25 0.00 -1.18 0.00 0.00 61.69 57.47 3mjl s THR 246 Cb 0.17 -1.65 -0.10 0.00 1.34 0.00 0.00 72.50 72.26 3mjl s THR 246 CO 0.73 -1.08 0.99 -2.16 -0.54 0.00 0.00 174.62 172.57 3mjl s PRO 247 N 0.07 4.38 -0.04 3.99 0.04 -1.26 -4.87 135.00 137.31 3mjl s PRO 247 Ca 0.25 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.70 3mjl s PRO 247 Cb -0.09 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.84 3mjl s PRO 247 CO -0.11 0.07 -0.02 0.08 0.04 0.00 0.00 177.00 177.06 3mjl s VAL 248 N -1.68 0.36 0.77 -0.36 1.01 -1.26 -5.07 120.40 114.18 3mjl s VAL 248 Ca 0.54 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 3mjl s VAL 248 Cb -0.19 -0.43 0.06 0.00 0.00 0.00 0.00 36.38 35.81 3mjl s VAL 248 CO 0.25 0.19 1.10 0.68 0.00 0.00 0.00 175.10 177.32 3mjl s VAL 249 N 1.05 3.17 0.00 2.92 -7.23 -1.26 -4.23 120.40 114.82 3mjl s VAL 249 Ca -0.09 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 3mjl s VAL 249 Cb -0.14 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.95 3mjl s VAL 249 CO -0.01 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 3mjl n GLY 250 N -0.93 0.88 3.84 2.32 0.00 -1.26 -5.03 105.19 105.01 3mjl n GLY 250 Ca 0.10 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3mjl n GLY 250 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mjl s GLY 251 N -2.70 1.70 0.36 -0.02 0.00 -1.26 -4.96 107.32 100.44 3mjl s GLY 251 Ca 0.00 -1.02 -0.26 0.00 0.00 0.00 0.00 44.72 43.44 3mjl s GLY 251 CO 0.00 -0.28 1.14 1.08 0.00 0.00 0.00 173.10 175.04 3mjl s LEU 252 N -6.09 4.29 0.95 0.66 1.43 -0.88 -4.48 118.68 114.56 3mjl s LEU 252 Ca 0.71 2.30 -0.15 0.00 -1.03 0.00 0.00 54.13 55.96 3mjl s LEU 252 Cb -0.07 -3.92 0.17 0.00 0.03 0.00 0.00 46.19 42.40 3mjl s LEU 252 CO 0.53 -0.50 1.23 0.42 0.23 0.00 0.00 176.35 178.26 3mjl s THR 253 N -1.37 1.95 0.11 5.49 -4.23 -1.26 -0.63 115.64 115.69 3mjl s THR 253 Ca 0.53 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.87 3mjl s THR 253 Cb -0.30 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 3mjl s THR 253 CO 0.38 0.00 1.63 0.22 -0.54 0.00 0.00 174.62 176.31 3mjl h TYR 254 N -1.61 0.52 -0.79 3.99 3.20 -1.95 -1.71 116.97 118.61 3mjl h TYR 254 Ca -0.46 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.41 3mjl h TYR 254 Cb 1.28 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 3mjl h TYR 254 CO -0.69 0.53 0.49 0.00 -1.64 0.00 0.00 178.16 176.84 3mjl h ARG 255 N 0.36 0.87 0.00 1.82 3.08 -1.99 -1.09 114.38 117.44 3mjl h ARG 255 Ca 0.10 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 3mjl h ARG 255 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3mjl h ARG 255 CO -0.00 0.58 -0.48 0.93 -1.07 0.00 0.00 179.97 179.93 3mjl h GLU 256 N 0.90 0.00 -0.39 0.04 5.08 -1.86 0.62 114.58 118.97 3mjl h GLU 256 Ca 0.34 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.55 3mjl h GLU 256 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3mjl h GLU 256 CO -0.16 0.48 -0.35 0.78 -1.00 0.00 0.00 179.01 178.75 3mjl h GLY 257 N 1.58 1.01 1.48 -3.84 0.00 -0.82 -1.94 103.07 100.55 3mjl h GLY 257 Ca -0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 47.33 46.15 3mjl h GLY 257 CO 0.06 0.92 -0.54 1.41 0.00 0.00 0.00 176.54 178.39 3mjl h LEU 258 N 0.75 0.61 -0.40 3.11 3.38 -0.82 -3.12 115.31 118.82 3mjl h LEU 258 Ca 0.07 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.59 3mjl h LEU 258 Cb 0.95 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3mjl h LEU 258 CO 0.09 1.03 -0.24 0.22 0.09 0.00 0.00 178.44 179.63 3mjl h TYR 259 N 0.42 1.00 -0.14 1.13 3.20 -0.77 -0.94 116.97 120.88 3mjl h TYR 259 Ca 0.01 -0.26 0.04 0.00 3.14 0.00 0.00 58.73 61.66 3mjl h TYR 259 Cb 1.08 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 3mjl h TYR 259 CO 0.04 1.04 -0.15 0.82 -1.64 0.00 0.00 178.16 178.28 3mjl h ILE 260 N 0.67 0.59 -0.03 1.81 2.04 -1.39 -1.77 117.51 119.43 3mjl h ILE 260 Ca 0.08 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.69 3mjl h ILE 260 Cb 0.80 0.59 0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3mjl h ILE 260 CO 0.07 0.00 -0.98 0.71 0.00 0.00 0.00 178.15 177.95 3mjl h THR 261 N -0.18 1.28 -0.66 -0.27 1.35 -1.50 -2.18 112.91 110.74 3mjl h THR 261 Ca 0.10 -2.18 0.11 0.00 -0.55 0.00 0.00 66.41 63.89 3mjl h THR 261 Cb 0.32 2.31 -0.08 0.00 -1.73 0.00 0.00 68.15 68.98 3mjl h THR 261 CO -0.25 0.68 0.23 -0.33 -0.25 0.00 0.00 175.52 175.60 3mjl h GLU 262 N 0.40 0.38 -0.17 4.72 5.08 -1.05 0.22 114.58 124.16 3mjl h GLU 262 Ca -0.11 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 3mjl h GLU 262 Cb 1.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 3mjl h GLU 262 CO 0.19 0.25 -0.49 0.93 -1.00 0.00 0.00 179.01 178.90 3mjl h GLU 263 N 0.40 0.45 -0.12 2.33 4.39 -1.26 -2.29 114.58 118.48 3mjl h GLU 263 Ca 0.35 -0.26 -0.14 0.00 0.34 0.00 0.00 59.36 59.64 3mjl h GLU 263 Cb 0.48 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3mjl h GLU 263 CO -0.36 0.84 -0.55 0.82 -1.16 0.00 0.00 179.01 178.60 3mjl h ILE 264 N 0.36 1.35 -0.97 3.13 2.04 -0.89 -2.70 117.51 119.83 3mjl h ILE 264 Ca 0.02 -1.84 0.03 0.00 1.00 0.00 0.00 64.86 64.07 3mjl h ILE 264 Cb 0.99 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.89 3mjl h ILE 264 CO 0.09 0.55 0.64 0.22 0.00 0.00 0.00 178.15 179.65 3mjl h TYR 265 N 0.26 1.20 0.00 1.37 3.20 -0.79 -2.83 116.97 119.39 3mjl h TYR 265 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3mjl h TYR 265 Cb 1.05 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 3mjl h TYR 265 CO 0.03 0.72 -0.07 0.87 -1.64 0.00 0.00 178.16 178.07 3mjl h LYS 266 N 1.26 0.00 0.00 1.82 1.57 -1.09 -1.65 116.57 118.47 3mjl h LYS 266 Ca 0.37 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3mjl h LYS 266 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3mjl h LYS 266 CO -0.10 0.07 -0.01 1.79 -0.57 0.00 0.00 179.45 180.62 3mjl h THR 267 N 0.00 0.49 0.00 -0.16 1.35 -1.32 -3.45 112.91 109.82 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 0.75 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3mjl h THR 267 CO 0.01 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 3mjl n GLY 268 N -1.24 0.28 0.56 5.82 0.00 -0.62 -4.86 105.19 105.13 3mjl n GLY 268 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 2.43 -4.67 0.99 4.77 -1.26 -4.97 117.00 114.29 3mjl n LEU 269 Ca 0.00 -1.46 -0.50 0.00 -0.03 0.00 0.00 56.01 54.02 3mjl n LEU 269 Cb 0.22 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3mjl n LEU 269 CO 0.00 0.54 1.31 -0.11 -1.33 0.00 0.00 177.39 177.80 3mjl n LEU 270 N 0.62 2.91 -0.02 2.23 7.94 -1.26 -1.19 117.00 128.21 3mjl n LEU 270 Ca 0.09 1.04 -0.04 0.00 -1.11 0.00 0.00 56.01 56.00 3mjl n LEU 270 Cb 0.36 -1.31 -0.02 0.00 0.53 0.00 0.00 43.42 42.97 3mjl n LEU 270 CO 0.08 -0.32 -0.66 -0.24 -1.11 0.00 0.00 177.39 175.14 3mjl n SER 271 N 5.08 3.43 -3.85 1.96 2.88 0.19 -4.80 113.62 118.51 3mjl n SER 271 Ca 0.22 -0.02 -0.11 0.00 -1.33 0.00 0.00 58.87 57.62 3mjl n SER 271 Cb 0.24 -0.08 -0.10 0.00 -0.75 0.00 0.00 64.21 63.53 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 -4.52 0.01 -0.12 0.46 0.00 -0.86 -2.49 107.32 99.80 3mjl s GLY 272 Ca -0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.53 3mjl s GLY 272 CO 0.11 -0.22 0.27 -2.27 0.00 0.00 0.00 173.10 171.00 3mjl s LEU 273 N -1.42 0.27 -0.18 0.66 2.96 0.15 -1.25 118.68 119.87 3mjl s LEU 273 Ca -0.14 0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 54.29 3mjl s LEU 273 Cb -0.07 0.83 -0.04 0.00 0.50 0.00 0.00 46.19 47.42 3mjl s LEU 273 CO 0.02 -0.18 0.05 -1.81 -1.32 0.00 0.00 176.35 173.11 3mjl s ASP 274 N 1.37 5.51 -0.41 3.68 1.01 0.12 -1.44 116.67 126.52 3mjl s ASP 274 Ca -0.09 0.04 -0.02 0.00 0.71 0.00 0.00 52.55 53.20 3mjl s ASP 274 Cb -0.10 -1.94 0.11 0.00 1.01 0.00 0.00 42.92 42.00 3mjl s ASP 274 CO -0.09 0.16 0.19 -0.63 0.21 0.00 0.00 175.17 175.01 3mjl s ILE 275 N 0.44 3.15 0.30 0.77 -1.09 -0.74 0.84 121.20 124.87 3mjl s ILE 275 Ca 0.02 -2.14 0.08 0.00 -2.23 0.00 0.00 60.65 56.39 3mjl s ILE 275 Cb -0.13 -3.18 -0.06 0.00 -1.58 0.00 0.00 42.46 37.52 3mjl s ILE 275 CO 0.01 -0.69 -0.09 -0.04 -1.23 0.00 0.00 174.94 172.90 3mjl s MET 276 N 1.06 1.64 -1.15 2.79 -1.94 -0.60 -1.35 119.30 119.74 3mjl s MET 276 Ca 0.09 -1.82 0.00 0.00 -1.71 0.00 0.00 55.69 52.25 3mjl s MET 276 Cb -0.22 -1.40 0.00 0.00 2.01 0.00 0.00 34.83 35.22 3mjl s MET 276 CO -0.05 0.11 0.00 0.39 -0.01 0.00 0.00 175.02 175.47 3mjl n GLU 277 N -0.64 -1.59 -2.15 2.03 -0.58 -0.78 -2.45 120.64 114.48 3mjl n GLU 277 Ca -0.05 0.87 -0.42 0.00 -0.42 0.00 0.00 57.16 57.13 3mjl n GLU 277 Cb 0.63 -5.23 -0.03 0.00 -0.57 0.00 0.00 31.44 26.24 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 -1.98 3.44 -0.36 2.62 1.01 -1.26 -4.21 120.40 119.65 3mjl s VAL 278 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3mjl s VAL 278 Cb 0.00 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.91 3mjl s VAL 278 CO 0.00 0.02 0.18 0.21 0.00 0.00 0.00 175.10 175.51 3mjl s ASN 279 N 1.72 3.51 0.40 3.32 3.84 0.13 -4.34 114.94 123.52 3mjl s ASN 279 Ca 0.66 -2.09 0.10 0.00 0.21 0.00 0.00 52.86 51.75 3mjl s ASN 279 Cb -0.35 -0.71 0.90 0.00 -0.55 0.00 0.00 41.25 40.55 3mjl s ASN 279 CO 0.29 -0.34 1.96 -0.65 -2.79 0.00 0.00 177.10 175.57 3mjl h PRO 280 N 7.35 0.55 0.00 0.43 0.11 -1.78 -0.50 132.00 138.16 3mjl h PRO 280 Ca -0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3mjl h PRO 280 Cb 0.97 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mjl h PRO 280 CO 0.40 0.36 0.26 0.66 -0.21 0.00 0.00 178.00 179.47 3mjl h SER 281 N 0.56 0.00 0.00 -2.05 4.64 -1.93 -1.46 113.55 113.32 3mjl h SER 281 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3mjl h SER 281 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3mjl h SER 281 CO -0.10 0.00 -0.31 0.18 -0.87 0.00 0.00 176.83 175.74 3mjl n LEU 282 N -2.80 2.21 -4.77 5.97 4.77 -0.20 -4.90 117.00 117.29 3mjl n LEU 282 Ca -0.02 -0.78 -0.40 0.00 -0.03 0.00 0.00 56.01 54.79 3mjl n LEU 282 Cb 0.30 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3mjl n LEU 282 CO 0.13 0.39 1.02 -0.83 -1.33 0.00 0.00 177.39 176.78 3mjl s GLY 283 N -2.32 2.92 0.43 -0.72 0.00 -0.55 -4.67 107.32 102.40 3mjl s GLY 283 Ca 0.22 1.37 0.23 0.00 0.00 0.00 0.00 44.72 46.54 3mjl s GLY 283 CO 0.48 1.97 1.60 1.70 0.00 0.00 0.00 173.10 178.84 3mjl h LYS 284 N 2.38 0.00 -3.74 2.90 1.63 -1.90 -3.46 116.57 114.38 3mjl h LYS 284 Ca -0.50 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.16 3mjl h LYS 284 Cb 1.26 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.70 3mjl h LYS 284 CO 0.61 0.02 -0.53 0.95 -3.45 0.00 0.00 179.45 177.05 3mjl s THR 285 N -3.20 0.12 0.53 1.00 -4.23 -1.26 -5.03 115.64 103.57 3mjl s THR 285 Ca 0.07 -0.97 0.22 0.00 -1.18 0.00 0.00 61.69 59.83 3mjl s THR 285 Cb 0.05 -0.71 0.34 0.00 1.34 0.00 0.00 72.50 73.52 3mjl s THR 285 CO 0.67 -0.53 2.07 -0.65 -0.54 0.00 0.00 174.62 175.64 3mjl h PRO 286 N 3.92 0.00 -0.42 3.99 0.11 -1.98 0.04 132.00 137.66 3mjl h PRO 286 Ca -0.32 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 3mjl h PRO 286 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3mjl h PRO 286 CO 0.47 0.00 -0.18 1.49 -0.21 0.00 0.00 178.00 179.57 3mjl h GLU 287 N 0.00 0.81 0.00 1.05 4.22 -1.99 -2.63 114.58 116.04 3mjl h GLU 287 Ca 0.13 -0.31 -0.02 0.00 0.08 0.00 0.00 59.36 59.24 3mjl h GLU 287 Cb 0.54 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3mjl h GLU 287 CO -0.00 0.93 -0.10 0.93 -2.18 0.00 0.00 179.01 178.58 3mjl h GLU 288 N 0.71 0.00 0.11 1.92 5.08 -1.38 -1.57 114.58 119.46 3mjl h GLU 288 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3mjl h GLU 288 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3mjl h GLU 288 CO 0.05 0.10 -0.05 0.28 -1.00 0.00 0.00 179.01 178.39 3mjl h VAL 289 N 0.00 1.08 -0.06 3.13 2.07 -1.19 -2.86 116.25 118.43 3mjl h VAL 289 Ca -0.00 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 3mjl h VAL 289 Cb 0.30 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3mjl h VAL 289 CO 0.01 0.26 -0.41 0.71 0.02 0.00 0.00 177.57 178.17 3mjl h THR 290 N -0.74 1.30 -0.55 2.57 1.35 -1.32 -1.01 112.91 114.53 3mjl h THR 290 Ca -0.02 -1.47 -0.02 0.00 -0.55 0.00 0.00 66.41 64.35 3mjl h THR 290 Cb 0.55 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 3mjl h THR 290 CO 0.02 0.43 0.25 -0.09 -0.25 0.00 0.00 175.52 175.88 3mjl h ARG 291 N 0.10 0.80 0.06 4.72 2.43 -1.36 1.01 114.38 122.14 3mjl h ARG 291 Ca 0.01 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3mjl h ARG 291 Cb 0.77 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3mjl h ARG 291 CO 0.06 0.67 -0.03 1.15 -1.51 0.00 0.00 179.97 180.31 3mjl h THR 292 N 0.74 1.26 -0.17 0.20 2.02 -1.35 -1.34 112.91 114.27 3mjl h THR 292 Ca 0.19 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 3mjl h THR 292 Cb 0.15 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3mjl h THR 292 CO -0.02 0.30 0.09 0.58 0.37 0.00 0.00 175.52 176.85 3mjl h VAL 293 N -0.66 1.10 -0.44 3.16 2.07 -1.13 -0.98 116.25 119.36 3mjl h VAL 293 Ca -0.01 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3mjl h VAL 293 Cb 0.56 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3mjl h VAL 293 CO 0.01 0.09 0.16 0.78 0.02 0.00 0.00 177.57 178.64 3mjl h ASN 294 N 0.17 0.58 -0.44 0.57 2.35 0.10 0.62 115.58 119.53 3mjl h ASN 294 Ca 0.06 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3mjl h ASN 294 Cb 0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3mjl h ASN 294 CO -0.01 0.54 -0.05 0.74 -1.65 0.00 0.00 177.43 177.00 3mjl h THR 295 N 0.63 1.27 -0.90 2.81 2.02 -0.98 -1.13 112.91 116.63 3mjl h THR 295 Ca 0.15 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.20 3mjl h THR 295 Cb 0.15 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3mjl h THR 295 CO -0.01 0.39 0.57 0.00 0.37 0.00 0.00 175.52 176.84 3mjl h ALA 296 N 0.89 1.14 -0.19 6.16 0.00 -0.55 -1.25 119.26 125.46 3mjl h ALA 296 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3mjl h ALA 296 Cb 0.57 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3mjl h ALA 296 CO 0.03 0.56 0.04 0.28 0.00 0.00 0.00 179.25 180.17 3mjl h VAL 297 N 1.22 1.21 -0.83 0.00 2.07 -0.65 -2.30 116.25 116.96 3mjl h VAL 297 Ca 0.33 -0.67 0.14 0.00 0.82 0.00 0.00 66.70 67.31 3mjl h VAL 297 Cb -0.10 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 3mjl h VAL 297 CO -0.07 0.21 0.43 0.00 0.02 0.00 0.00 177.57 178.16 3mjl h ALA 298 N 0.85 1.24 -0.67 1.67 0.00 -0.90 -0.52 119.26 120.93 3mjl h ALA 298 Ca 0.06 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3mjl h ALA 298 Cb 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3mjl h ALA 298 CO 0.00 -0.08 0.17 0.82 0.00 0.00 0.00 179.25 180.16 3mjl h ILE 299 N 0.63 1.25 -0.10 0.00 5.03 -1.04 -2.74 117.51 120.54 3mjl h ILE 299 Ca 0.45 -0.93 -0.07 0.00 -0.12 0.00 0.00 64.86 64.19 3mjl h ILE 299 Cb 0.61 0.56 0.00 0.00 -3.03 0.00 0.00 36.82 34.96 3mjl h ILE 299 CO -0.35 0.35 -0.20 0.74 -0.68 0.00 0.00 178.15 178.01 3mjl h THR 300 N 1.00 1.39 -0.86 -0.27 2.02 -0.57 -2.80 112.91 112.82 3mjl h THR 300 Ca 0.21 -1.49 0.15 0.00 0.77 0.00 0.00 66.41 66.05 3mjl h THR 300 Cb 0.34 2.12 -0.10 0.00 -1.74 0.00 0.00 68.15 68.78 3mjl h THR 300 CO -0.00 0.43 0.45 -0.07 0.37 0.00 0.00 175.52 176.70 3mjl h LEU 301 N -0.13 0.54 -0.96 2.58 3.38 -1.18 -0.64 115.31 118.90 3mjl h LEU 301 Ca 0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3mjl h LEU 301 Cb 0.79 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 3mjl h LEU 301 CO 0.05 0.22 0.63 0.00 0.09 0.00 0.00 178.44 179.43 3mjl h ALA 302 N 1.57 1.24 -0.03 1.53 0.00 -1.48 -0.38 119.26 121.70 3mjl h ALA 302 Ca 0.47 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.33 3mjl h ALA 302 Cb 0.68 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3mjl h ALA 302 CO -0.37 0.58 0.05 0.00 0.00 0.00 0.00 179.25 179.51 3mjl n PHE 304 N -3.66 1.93 -0.02 0.00 3.72 -0.27 -4.54 117.46 114.63 3mjl n PHE 304 Ca -0.02 -2.04 0.00 0.00 -0.05 0.00 0.00 57.45 55.34 3mjl n PHE 304 Cb 0.13 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 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 -0.87 0.46 3.65 1.37 0.00 -0.93 -4.73 105.19 104.14 3mjl n GLY 305 Ca 0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 4.09 -0.17 0.99 1.98 -0.52 -4.96 118.68 120.09 3mjl s LEU 306 Ca 0.00 1.55 -0.03 0.00 -2.89 0.00 0.00 54.13 52.76 3mjl s LEU 306 Cb 0.00 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.29 3mjl s LEU 306 CO 0.00 -0.87 -0.04 0.00 -1.89 0.00 0.00 176.35 173.54 3mjl s ALA 307 N 3.81 2.92 0.59 5.97 0.00 -1.26 -4.19 121.76 129.60 3mjl s ALA 307 Ca 0.56 -0.91 0.29 0.00 0.00 0.00 0.00 51.96 51.90 3mjl s ALA 307 Cb -0.20 -1.56 1.76 0.00 0.00 0.00 0.00 23.12 23.11 3mjl s ALA 307 CO 0.18 0.07 2.21 0.00 0.00 0.00 0.00 175.76 178.22 3mjl h ARG 308 N 7.04 0.00 0.00 0.00 3.08 -1.98 0.25 114.38 122.77 3mjl h ARG 308 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3mjl h ARG 308 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3mjl h ARG 308 CO 0.61 0.00 0.00 1.05 -1.07 0.00 0.00 179.97 180.56 3mjl h GLU 309 N 0.00 0.00 0.00 0.04 4.11 -2.00 -3.48 114.58 113.24 3mjl h GLU 309 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3mjl h GLU 309 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3mjl h GLU 309 CO -0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 3mjl n GLY 310 N 0.30 2.22 2.96 1.06 0.00 0.88 -5.11 105.19 107.50 3mjl n GLY 310 Ca 0.03 -2.13 -0.10 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 0.21 0.16 1.61 -0.87 -1.26 -4.51 114.94 110.27 3mjl s ASN 311 Ca 0.00 -0.38 -0.18 0.00 -1.57 0.00 0.00 52.86 50.73 3mjl s ASN 311 Cb 0.00 0.07 0.04 0.00 -0.02 0.00 0.00 41.25 41.34 3mjl s ASN 311 CO 0.00 -0.23 0.48 -1.38 -2.57 0.00 0.00 177.10 173.41 3mjl s HIS 312 N -1.11 -0.25 0.29 2.20 -3.43 -1.26 -5.14 115.29 106.59 3mjl s HIS 312 Ca -0.12 -0.06 0.06 0.00 -0.80 0.00 0.00 55.06 54.14 3mjl s HIS 312 Cb -0.08 0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 31.42 3mjl s HIS 312 CO -0.01 -0.80 0.42 0.15 -2.00 0.00 0.00 174.74 172.50 3mjl s LYS 313 N -3.82 3.28 -1.12 -0.38 3.01 -1.26 -4.98 119.74 114.48 3mjl s LYS 313 Ca 0.05 -0.86 -0.24 0.00 -1.01 0.00 0.00 55.97 53.90 3mjl s LYS 313 Cb 0.00 -2.85 -0.14 0.00 -1.01 0.00 0.00 37.83 33.84 3mjl s LYS 313 CO -0.09 0.24 2.02 -2.14 0.51 0.00 0.00 175.35 175.88 3mjl s PRO 314 N -4.09 1.99 -0.03 -1.68 0.02 -1.26 -4.75 135.00 125.20 3mjl s PRO 314 Ca 0.40 -0.79 -0.17 0.00 0.02 0.00 0.00 61.00 60.45 3mjl s PRO 314 Cb -0.09 -5.12 0.03 0.00 0.02 0.00 0.00 34.50 29.34 3mjl s PRO 314 CO 0.30 -4.52 0.37 0.42 -0.33 0.00 0.00 177.00 173.25 3mjl s ILE 315 N 13.28 0.04 -0.22 2.83 -1.09 -1.26 -5.13 121.20 129.65 3mjl s ILE 315 Ca 0.74 -0.36 -0.22 0.00 -2.23 0.00 0.00 60.65 58.59 3mjl s ILE 315 Cb -0.03 -0.67 -0.02 0.00 -1.58 0.00 0.00 42.46 40.16 3mjl s ILE 315 CO 0.14 -0.20 0.68 -0.62 -1.23 0.00 0.00 174.94 173.71 3mjl s ASP 316 N -1.15 6.70 0.00 3.58 3.68 -1.26 -4.91 116.67 123.30 3mjl s ASP 316 Ca -0.12 0.85 0.25 0.00 2.13 0.00 0.00 52.55 55.67 3mjl s ASP 316 Cb -0.04 -2.37 0.70 0.00 -1.45 0.00 0.00 42.92 39.76 3mjl s ASP 316 CO 0.05 -0.35 1.54 -1.22 0.13 0.00 0.00 175.17 175.32 3mjl n TYR 317 N 5.43 0.09 0.20 -5.34 4.01 -1.26 -5.20 117.16 115.09 3mjl n TYR 317 Ca 0.00 -0.04 0.02 0.00 -0.16 0.00 0.00 57.90 57.72 3mjl n TYR 317 Cb 0.49 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.54 3mjl n TYR 317 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68