#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3m n SER 2 N 0.00 0.00 0.00 7.83 2.88 -1.26 -4.80 113.62 118.27 2k3m n SER 2 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 2k3m n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k3m n SER 2 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k3m n ASP 3 N -0.75 0.00 -3.66 -3.46 5.68 -1.26 -5.19 116.55 107.91 2k3m n ASP 3 Ca 0.08 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.22 2k3m n ASP 3 Cb 0.04 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.94 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2k3m s PHE 4 N -0.56 -0.40 -0.05 2.11 5.36 -1.26 -5.17 117.98 118.01 2k3m s PHE 4 Ca 0.00 0.69 -0.16 0.00 -0.96 0.00 0.00 56.93 56.50 2k3m s PHE 4 Cb 0.00 0.23 0.03 0.00 -0.34 0.00 0.00 43.02 42.94 2k3m s PHE 4 CO 0.00 -0.47 0.36 0.16 -1.46 0.00 0.00 175.22 173.81 2k3m s ASP 5 N -1.18 -0.29 0.00 6.13 1.47 -1.26 -4.96 116.67 116.58 2k3m s ASP 5 Ca -0.12 0.32 0.00 0.00 1.18 0.00 0.00 52.55 53.94 2k3m s ASP 5 Cb -0.03 0.46 0.00 0.00 -0.34 0.00 0.00 42.92 43.01 2k3m s ASP 5 CO 0.06 -0.38 0.00 0.41 0.68 0.00 0.00 175.17 175.95 2k3m n THR 6 N 1.67 0.00 -0.26 2.11 -1.04 -1.26 -4.40 114.28 111.09 2k3m n THR 6 Ca -0.19 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.84 2k3m n THR 6 Cb 0.56 -0.39 0.16 0.00 -1.82 0.00 0.00 70.33 68.84 2k3m n THR 6 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2k3m h GLU 7 N 0.00 0.63 0.35 -2.82 4.39 -1.99 5.99 114.58 121.12 2k3m h GLU 7 Ca 0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2k3m h GLU 7 Cb 0.00 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2k3m h GLU 7 CO 0.00 0.42 -0.17 0.00 -1.16 0.00 0.00 179.01 178.10 2k3m h ARG 8 N 0.65 -0.45 0.11 2.33 3.08 -1.94 0.88 114.38 119.04 2k3m h ARG 8 Ca 0.38 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 2k3m h ARG 8 Cb 0.41 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2k3m h ARG 8 CO -0.28 -0.30 -0.05 0.28 -1.07 0.00 0.00 179.97 178.55 2k3m h VAL 9 N -1.06 0.91 0.19 2.04 2.07 -1.84 0.14 116.25 118.70 2k3m h VAL 9 Ca -0.05 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2k3m h VAL 9 Cb 0.36 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2k3m h VAL 9 CO 0.08 0.01 -0.09 -1.28 0.02 0.00 0.00 177.57 176.31 2k3m h SER 10 N -0.17 -0.22 -0.54 0.57 0.87 1.22 -1.29 113.55 113.99 2k3m h SER 10 Ca -0.02 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2k3m h SER 10 Cb 0.14 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2k3m h SER 10 CO 0.02 -0.06 0.27 0.03 -0.53 0.00 0.00 176.83 176.57 2k3m h ARG 11 N -0.44 0.77 0.46 2.24 2.47 -0.45 2.02 114.38 121.44 2k3m h ARG 11 Ca -0.03 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 2k3m h ARG 11 Cb 0.20 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2k3m h ARG 11 CO 0.04 0.62 -0.22 0.00 0.56 0.00 0.00 179.97 180.97 2k3m h ALA 12 N 1.11 -0.62 -0.02 0.04 0.00 0.61 0.73 119.26 121.12 2k3m h ALA 12 Ca 0.19 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2k3m h ALA 12 Cb 0.09 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2k3m h ALA 12 CO -0.03 -0.58 -0.09 0.28 0.00 0.00 0.00 179.25 178.83 2k3m h VAL 13 N -1.15 0.75 0.32 0.00 2.07 -0.58 1.19 116.25 118.85 2k3m h VAL 13 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2k3m h VAL 13 Cb 0.49 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2k3m h VAL 13 CO 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.54 2k3m h ALA 14 N 0.84 -1.01 -0.14 1.67 0.00 0.33 2.79 119.26 123.73 2k3m h ALA 14 Ca 0.04 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2k3m h ALA 14 Cb 0.21 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2k3m h ALA 14 CO -0.11 -0.98 -0.33 0.00 0.00 0.00 0.00 179.25 177.83 2k3m h ALA 15 N -1.77 -0.39 0.73 0.00 0.00 0.54 2.35 119.26 120.72 2k3m h ALA 15 Ca -0.04 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 15 Cb 0.33 0.64 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2k3m h ALA 15 CO 0.07 -0.81 -0.35 0.00 0.00 0.00 0.00 179.25 178.16 2k3m h ALA 16 N 0.39 -0.98 0.16 0.00 0.00 0.14 2.48 119.26 121.45 2k3m h ALA 16 Ca 0.10 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k3m h ALA 16 Cb 0.56 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2k3m h ALA 16 CO -0.37 -0.94 -0.30 1.25 0.00 0.00 0.00 179.25 178.89 2k3m h LEU 17 N -1.20 -0.85 0.39 0.00 6.46 0.53 4.14 115.31 124.79 2k3m h LEU 17 Ca -0.10 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2k3m h LEU 17 Cb 0.77 0.31 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 2k3m h LEU 17 CO 0.17 -0.40 -0.19 -0.37 -0.62 0.00 0.00 178.44 177.03 2k3m h VAL 18 N -0.54 0.17 -0.58 1.05 -1.51 0.41 -3.31 116.25 111.94 2k3m h VAL 18 Ca 0.02 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2k3m h VAL 18 Cb 0.55 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 2k3m h VAL 18 CO -0.15 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 176.84 2k3m n GLY 19 N 0.29 -3.30 0.12 5.19 0.00 0.83 -4.79 105.19 103.53 2k3m n GLY 19 Ca -0.08 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2k3m n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3m h PRO 20 N 0.00 0.00 0.75 1.61 0.14 -1.74 -3.29 132.00 129.47 2k3m h PRO 20 Ca 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 66.10 2k3m h PRO 20 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 31.00 31.15 2k3m h PRO 20 CO 0.00 0.61 -0.36 0.78 0.14 0.00 0.00 178.00 179.17 2k3m h GLY 21 N 3.36 -1.05 0.77 1.56 0.00 -1.76 3.52 103.07 109.47 2k3m h GLY 21 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2k3m h GLY 21 CO 0.08 -0.38 -0.23 -1.33 0.00 0.00 0.00 176.54 174.68 2k3m h GLY 22 N -1.14 -0.51 0.49 4.60 0.00 0.78 0.56 103.07 107.85 2k3m h GLY 22 Ca -0.10 0.26 0.21 0.00 0.00 0.00 0.00 47.33 47.69 2k3m h GLY 22 CO 0.17 -0.21 0.54 -2.08 0.00 0.00 0.00 176.54 174.96 2k3m h VAL 23 N -0.50 0.65 0.51 4.60 2.07 -1.33 -0.18 116.25 122.07 2k3m h VAL 23 Ca -0.01 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2k3m h VAL 23 Cb 0.45 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2k3m h VAL 23 CO -0.03 0.02 -0.24 0.00 0.02 0.00 0.00 177.57 177.33 2k3m h ALA 24 N 1.63 -1.00 -0.32 1.67 0.00 1.18 -1.11 119.26 121.32 2k3m h ALA 24 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2k3m h ALA 24 Cb 1.32 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2k3m h ALA 24 CO -0.05 -0.95 0.17 -0.07 0.00 0.00 0.00 179.25 178.36 2k3m h LEU 25 N -0.79 0.40 0.93 0.00 3.38 -0.31 -0.34 115.31 118.57 2k3m h LEU 25 Ca -0.07 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2k3m h LEU 25 Cb 0.52 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.18 2k3m h LEU 25 CO 0.11 0.37 -0.45 0.58 0.09 0.00 0.00 178.44 179.15 2k3m h VAL 26 N 0.40 0.00 -0.85 1.22 2.07 -1.15 0.43 116.25 118.38 2k3m h VAL 26 Ca 0.11 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.74 2k3m h VAL 26 Cb 0.06 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.77 2k3m h VAL 26 CO -0.02 0.00 0.55 1.62 0.02 0.00 0.00 177.57 179.74 2k3m h VAL 27 N -1.26 0.87 0.39 2.57 3.04 -1.22 0.45 116.25 121.09 2k3m h VAL 27 Ca -0.13 -0.23 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 2k3m h VAL 27 Cb 0.95 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2k3m h VAL 27 CO 0.21 0.12 -0.19 0.50 -1.01 0.00 0.00 177.57 177.21 2k3m h LYS 28 N 0.68 -0.50 -0.01 4.17 3.11 -0.66 0.31 116.57 123.66 2k3m h LYS 28 Ca 0.41 0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 58.29 2k3m h LYS 28 Cb 0.64 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.98 2k3m h LYS 28 CO -0.17 -0.20 0.00 0.28 -2.81 0.00 0.00 179.45 176.55 2k3m h VAL 29 N -0.83 1.12 0.59 2.00 2.07 0.42 0.23 116.25 121.85 2k3m h VAL 29 Ca -0.05 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2k3m h VAL 29 Cb 0.54 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2k3m h VAL 29 CO 0.09 0.09 -0.28 0.00 0.02 0.00 0.00 177.57 177.49 2k3m h ALA 31 N -1.43 0.76 -4.61 0.00 0.00 -0.43 -3.47 119.26 110.09 2k3m h ALA 31 Ca -0.08 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2k3m h ALA 31 Cb 0.61 0.17 0.04 0.00 0.00 0.00 0.00 17.79 18.61 2k3m h ALA 31 CO 0.13 -0.29 -0.17 0.41 0.00 0.00 0.00 179.25 179.33 2k3m n GLY 32 N -1.32 -0.80 1.10 0.00 0.00 0.82 -4.63 105.19 100.36 2k3m n GLY 32 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2k3m n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k3m n LEU 33 N -1.86 -1.71 0.31 0.99 0.00 -1.25 -4.72 117.00 108.77 2k3m n LEU 33 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.10 2k3m n LEU 33 Cb 0.52 -0.86 0.54 0.00 0.00 0.00 0.00 43.42 43.63 2k3m n LEU 33 CO 0.37 0.00 1.09 -0.65 0.00 0.00 0.00 177.39 178.20 2k3m h PRO 34 N 0.00 0.00 0.46 1.96 0.11 -1.90 -3.03 132.00 129.61 2k3m h PRO 34 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2k3m h PRO 34 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2k3m h PRO 34 CO 0.00 0.00 -0.22 0.78 -0.21 0.00 0.00 178.00 178.35 2k3m h GLY 35 N 0.00 -0.65 0.00 -0.55 0.00 -1.94 -3.45 103.07 96.48 2k3m h GLY 35 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2k3m h GLY 35 CO -0.00 -0.24 0.00 3.33 0.00 0.00 0.00 176.54 179.63 2k3m n VAL 36 N -4.43 0.00 -1.95 4.60 0.24 -1.14 -4.90 118.33 110.74 2k3m n VAL 36 Ca -0.08 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.20 2k3m n VAL 36 Cb 0.25 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 2k3m n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k3m n ILE 37 N -0.02 -4.62 -3.88 1.34 0.00 -1.26 -4.96 119.36 105.96 2k3m n ILE 37 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 62.75 62.79 2k3m n ILE 37 Cb 0.00 -4.92 -0.15 0.00 0.00 0.00 0.00 39.64 34.57 2k3m n ILE 37 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 2k3m s HIS 38 N -1.95 0.09 -0.11 9.51 2.46 -1.26 -5.11 115.29 118.92 2k3m s HIS 38 Ca 0.06 0.03 0.02 0.00 0.47 0.00 0.00 55.06 55.63 2k3m s HIS 38 Cb -0.02 -0.15 -0.01 0.00 -0.13 0.00 0.00 32.58 32.27 2k3m s HIS 38 CO 0.24 -0.04 -0.16 0.99 -2.47 0.00 0.00 174.74 173.30 2k3m s THR 39 N 0.44 2.85 -0.19 0.89 2.01 -1.26 -5.00 115.64 115.38 2k3m s THR 39 Ca -0.04 -0.75 0.24 0.00 0.31 0.00 0.00 61.69 61.45 2k3m s THR 39 Cb -0.06 -2.16 0.24 0.00 0.01 0.00 0.00 72.50 70.53 2k3m s THR 39 CO -0.01 0.54 1.72 1.55 -0.69 0.00 0.00 174.62 177.74 2k3m h PRO 40 N 6.41 0.00 -4.95 4.92 0.13 -2.08 -3.40 132.00 133.02 2k3m h PRO 40 Ca -0.29 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.34 2k3m h PRO 40 Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 2k3m h PRO 40 CO 0.53 0.00 -0.81 0.00 -0.23 0.00 0.00 178.00 177.48 2k3m s ALA 41 N -3.55 1.23 0.05 -0.56 0.00 -1.26 -5.14 121.76 112.53 2k3m s ALA 41 Ca -0.01 -0.52 -0.27 0.00 0.00 0.00 0.00 51.96 51.15 2k3m s ALA 41 Cb 0.07 -0.43 0.10 0.00 0.00 0.00 0.00 23.12 22.86 2k3m s ALA 41 CO 0.26 0.21 1.19 0.50 0.00 0.00 0.00 175.76 177.91 2k3m s ARG 42 N 0.15 0.69 0.17 0.00 3.52 -1.26 -5.02 118.95 117.20 2k3m s ARG 42 Ca -0.04 -0.41 -0.14 0.00 -0.13 0.00 0.00 55.73 55.01 2k3m s ARG 42 Cb -0.11 0.21 0.11 0.00 -1.56 0.00 0.00 34.95 33.61 2k3m s ARG 42 CO 0.02 -0.32 1.79 -0.09 -0.81 0.00 0.00 175.30 175.88 2k3m h ARG 43 N 2.00 0.47 0.00 5.12 2.43 -2.00 -3.46 114.38 118.94 2k3m h ARG 43 Ca -0.27 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2k3m h ARG 43 Cb 1.20 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2k3m h ARG 43 CO 0.30 0.31 0.00 0.41 -1.51 0.00 0.00 179.97 179.48 2k3m n GLY 44 N -1.24 1.31 3.71 2.80 0.00 -1.26 -5.08 105.19 105.43 2k3m n GLY 44 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2k3m n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k3m s PHE 45 N -1.38 -0.19 0.00 1.61 0.40 -1.26 -5.14 117.98 112.03 2k3m s PHE 45 Ca 0.00 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 2k3m s PHE 45 Cb 0.00 0.59 0.00 0.00 0.51 0.00 0.00 43.02 44.12 2k3m s PHE 45 CO 0.00 -1.10 0.00 0.34 0.70 0.00 0.00 175.22 175.16 2k3m n PHE 46 N -0.42 0.00 0.00 0.36 7.35 -1.26 -5.15 117.46 118.34 2k3m n PHE 46 Ca -0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 2k3m n PHE 46 Cb 0.61 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.44 2k3m n PHE 46 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2k3m n ARG 47 N 1.88 0.00 -3.00 -4.13 1.85 -1.26 -5.03 116.66 106.97 2k3m n ARG 47 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 2k3m n ARG 47 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k3m s ASN 49 N -3.02 -0.03 0.00 0.00 6.03 -1.26 -5.03 114.94 111.63 2k3m s ASN 49 Ca 0.08 -0.47 0.00 0.00 -1.03 0.00 0.00 52.86 51.44 2k3m s ASN 49 Cb -0.01 0.38 0.00 0.00 -3.03 0.00 0.00 41.25 38.59 2k3m s ASN 49 CO 0.71 -0.75 0.30 -0.81 -2.03 0.00 0.00 177.10 174.51 2k3m n PRO 50 N -0.00 0.00 -4.04 3.55 -0.04 -1.26 -4.23 135.00 128.98 2k3m n PRO 50 Ca -0.16 -0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 62.82 2k3m n PRO 50 Cb 0.62 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k3m n GLU 51 N 2.65 -0.72 -3.88 0.54 -0.58 -1.26 -4.94 120.64 112.44 2k3m n GLU 51 Ca 0.00 0.16 -0.08 0.00 -0.42 0.00 0.00 57.16 56.82 2k3m n GLU 51 Cb 0.00 -3.10 -0.03 0.00 -0.57 0.00 0.00 31.44 27.74 2k3m n GLU 51 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2k3m s ARG 52 N -7.13 1.62 0.69 3.49 1.70 -1.26 -4.95 118.95 113.11 2k3m s ARG 52 Ca 0.38 -1.05 -0.08 0.00 -0.47 0.00 0.00 55.73 54.51 2k3m s ARG 52 Cb -0.19 0.54 0.04 0.00 -0.57 0.00 0.00 34.95 34.77 2k3m s ARG 52 CO 0.95 -0.71 1.03 -1.50 -1.08 0.00 0.00 175.30 173.99 2k3m s ILE 53 N -3.94 2.98 -0.03 4.99 1.10 -1.26 -4.90 121.20 120.14 2k3m s ILE 53 Ca 0.14 0.05 0.02 0.00 -0.51 0.00 0.00 60.65 60.35 2k3m s ILE 53 Cb -0.03 -3.27 0.01 0.00 0.15 0.00 0.00 42.46 39.32 2k3m s ILE 53 CO 0.06 -0.31 -0.05 -1.10 -2.11 0.00 0.00 174.94 171.42 2k3m s GLN 54 N -5.25 0.68 0.03 3.50 -0.21 -1.26 -5.02 119.66 112.13 2k3m s GLN 54 Ca 0.58 -0.16 -0.06 0.00 0.02 0.00 0.00 55.36 55.74 2k3m s GLN 54 Cb -0.11 -0.68 -0.01 0.00 1.00 0.00 0.00 33.01 33.21 2k3m s GLN 54 CO 0.47 0.02 0.12 -1.50 -2.12 0.00 0.00 175.29 172.28 2k3m s ILE 55 N 0.43 0.12 0.00 1.08 2.07 -1.26 -4.87 121.20 118.77 2k3m s ILE 55 Ca -0.05 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 2k3m s ILE 55 Cb -0.09 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.68 2k3m s ILE 55 CO -0.00 -0.55 0.00 0.61 -1.91 0.00 0.00 174.94 173.09 2k3m n GLY 56 N 0.86 0.81 3.54 1.50 0.00 -1.26 -4.73 105.19 105.91 2k3m n GLY 56 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2k3m n GLY 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k3m s ASP 57 N -2.28 6.24 0.91 1.61 2.15 -1.26 -5.07 116.67 118.97 2k3m s ASP 57 Ca 0.00 -0.22 -0.09 0.00 0.43 0.00 0.00 52.55 52.67 2k3m s ASP 57 Cb 0.00 -2.23 0.14 0.00 -0.30 0.00 0.00 42.92 40.53 2k3m s ASP 57 CO 0.00 -0.45 0.86 0.79 -0.17 0.00 0.00 175.17 176.20 2k3m n TRP 58 N 5.59 -3.77 -0.10 -5.34 7.02 -1.26 -5.06 117.44 114.52 2k3m n TRP 58 Ca -0.07 -0.90 -0.15 0.00 -1.02 0.00 0.00 57.50 55.36 2k3m n TRP 58 Cb 0.49 -0.65 -0.06 0.00 -2.42 0.00 0.00 31.31 28.66 2k3m n TRP 58 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2k3m n ARG 59 N -2.77 0.53 0.00 -0.99 3.00 -1.26 -4.30 116.66 110.87 2k3m n ARG 59 Ca 0.11 0.41 0.10 0.00 -0.01 0.00 0.00 57.85 58.47 2k3m n ARG 59 Cb 0.40 -1.60 0.53 0.00 0.00 0.00 0.00 32.46 31.79 2k3m n ARG 59 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 2k3m n TYR 60 N -4.46 0.00 0.32 -1.55 9.36 -1.26 -3.17 117.16 116.39 2k3m n TYR 60 Ca -0.24 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.13 2k3m n TYR 60 Cb 0.55 -0.28 0.67 0.00 -0.63 0.00 0.00 39.34 39.65 2k3m n TYR 60 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2k3m h GLU 61 N 0.00 0.00 -0.90 2.98 4.81 -1.98 -3.27 114.58 116.21 2k3m h GLU 61 Ca 0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 2k3m h GLU 61 Cb 0.20 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.41 2k3m h GLU 61 CO 0.00 0.00 -0.20 -0.39 -0.73 0.00 0.00 179.01 177.69 2k3m h VAL 62 N 0.00 0.10 -0.35 0.32 -1.51 -1.81 2.59 116.25 115.59 2k3m h VAL 62 Ca 0.00 -0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2k3m h VAL 62 Cb 0.38 0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.63 2k3m h VAL 62 CO 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 177.57 176.44 2k3m h ALA 63 N 1.90 0.46 0.60 5.19 0.00 -1.88 1.21 119.26 126.74 2k3m h ALA 63 Ca 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2k3m h ALA 63 Cb 0.71 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2k3m h ALA 63 CO -0.92 0.11 -0.44 1.25 0.00 0.00 0.00 179.25 179.25 2k3m h HIS 64 N 0.42 -1.20 -0.13 0.00 6.17 0.37 -2.84 115.15 117.95 2k3m h HIS 64 Ca 0.11 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.18 2k3m h HIS 64 Cb 0.27 0.44 -0.01 0.00 2.52 0.00 0.00 27.41 30.64 2k3m h HIS 64 CO 0.01 -0.63 0.05 -0.44 0.71 0.00 0.00 177.93 177.64 2k3m h ASP 65 N -0.99 0.17 0.00 3.26 5.19 0.14 -2.66 116.42 121.52 2k3m h ASP 65 Ca -0.08 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 2k3m h ASP 65 Cb 0.82 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.29 2k3m h ASP 65 CO 0.03 0.29 0.00 0.61 -3.12 0.00 0.00 179.24 177.05 2k3m n GLY 66 N -0.69 0.21 0.07 2.75 0.00 0.42 -2.83 105.19 105.11 2k3m n GLY 66 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 2k3m n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k3m n ARG 67 N 0.88 0.22 -0.70 1.61 1.85 -1.01 -3.73 116.66 115.78 2k3m n ARG 67 Ca 0.00 0.14 0.53 0.00 -1.00 0.00 0.00 57.85 57.52 2k3m n ARG 67 Cb 0.05 -1.71 0.83 0.00 -1.05 0.00 0.00 32.46 30.58 2k3m n ARG 67 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 2k3m h LEU 68 N 0.00 0.00 0.28 2.89 8.10 -1.79 1.26 115.31 126.06 2k3m h LEU 68 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 2k3m h LEU 68 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.92 2k3m h LEU 68 CO 0.00 -0.00 -0.14 0.25 -4.11 0.00 0.00 178.44 174.44 2k3m h LEU 69 N 0.00 -0.32 0.00 0.17 6.46 -1.89 -2.65 115.31 117.08 2k3m h LEU 69 Ca 0.94 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.71 2k3m h LEU 69 Cb 3.76 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 43.77 2k3m h LEU 69 CO -0.02 -0.18 0.00 0.00 -0.62 0.00 0.00 178.44 177.63 2k3m n ALA 70 N -2.28 -0.05 0.00 1.25 0.00 0.37 -3.69 120.51 116.12 2k3m n ALA 70 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k3m n ALA 70 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2k3m n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3m n ALA 71 N -1.33 1.19 0.00 0.00 0.00 0.23 -4.57 120.51 116.02 2k3m n ALA 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3m n ALA 71 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2k3m n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2k3m n HIS 72 N -0.13 0.00 -0.25 0.00 8.25 -0.86 0.34 115.22 122.58 2k3m n HIS 72 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 2k3m n HIS 72 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 2k3m n HIS 72 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2k3m h MET 73 N 0.00 0.99 -0.80 -0.41 2.86 -1.82 -3.06 114.93 112.68 2k3m h MET 73 Ca 0.00 -0.16 0.17 0.00 -2.06 0.00 0.00 59.70 57.65 2k3m h MET 73 Cb 0.00 -0.17 -0.15 0.00 0.06 0.00 0.00 31.60 31.34 2k3m h MET 73 CO 0.00 0.80 -0.14 0.28 1.06 0.00 0.00 176.91 178.90 2k3m h VAL 74 N 0.95 0.22 -0.31 -2.22 2.07 0.55 0.79 116.25 118.31 2k3m h VAL 74 Ca 0.23 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.83 2k3m h VAL 74 Cb 0.14 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2k3m h VAL 74 CO -0.03 0.00 1.04 -3.20 0.02 0.00 0.00 177.57 175.41 2k3m n ASN 75 N -5.48 0.00 0.32 0.57 2.85 -1.07 0.04 115.26 112.49 2k3m n ASN 75 Ca 0.13 0.56 0.04 0.00 -0.11 0.00 0.00 54.58 55.20 2k3m n ASN 75 Cb 0.44 -0.08 0.23 0.00 1.24 0.00 0.00 39.78 41.61 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2k3m h GLY 76 N 0.00 0.00 0.22 8.20 0.00 0.43 1.12 103.07 113.05 2k3m h GLY 76 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.23 2k3m h GLY 76 CO -0.00 0.00 -1.30 0.16 0.00 0.00 0.00 176.54 175.40 2k3m h ILE 77 N 0.00 0.97 -1.27 2.60 3.07 -0.61 -3.25 117.51 119.02 2k3m h ILE 77 Ca 0.00 -2.27 0.43 0.00 1.55 0.00 0.00 64.86 64.57 2k3m h ILE 77 Cb 1.57 2.48 -0.12 0.00 -0.27 0.00 0.00 36.82 40.48 2k3m h ILE 77 CO 0.00 0.52 0.82 0.52 -1.05 0.00 0.00 178.15 178.96 2k3m n VAL 78 N -4.18 -0.21 0.08 0.16 0.31 0.39 0.42 118.33 115.29 2k3m n VAL 78 Ca -0.29 1.60 0.03 0.00 -0.01 0.00 0.00 64.34 65.67 2k3m n VAL 78 Cb 0.77 -2.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.05 2k3m n VAL 78 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2k3m h ILE 79 N 0.00 0.50 0.00 2.52 3.07 -1.67 -1.51 117.51 120.42 2k3m h ILE 79 Ca 0.79 -1.86 0.00 0.00 1.55 0.00 0.00 64.86 65.34 2k3m h ILE 79 Cb 2.59 2.05 0.00 0.00 -0.27 0.00 0.00 36.82 41.20 2k3m h ILE 79 CO -0.39 0.28 0.00 0.00 -1.05 0.00 0.00 178.15 176.99 2k3m n ALA 80 N -2.31 1.88 0.04 0.16 0.00 1.42 -2.03 120.51 119.68 2k3m n ALA 80 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k3m n ALA 80 Cb 0.76 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2k3m n ALA 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k3m n GLU 81 N -1.58 0.00 0.34 0.00 1.02 -0.30 -4.54 120.64 115.59 2k3m n GLU 81 Ca 0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 2k3m n GLU 81 Cb 0.23 -0.34 -0.07 0.00 -0.02 0.00 0.00 31.44 31.24 2k3m n GLU 81 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k3m h ASP 82 N 0.00 -0.88 -0.88 1.62 3.58 -1.44 -2.90 116.42 115.52 2k3m h ASP 82 Ca 0.00 0.04 0.08 0.00 0.42 0.00 0.00 57.03 57.57 2k3m h ASP 82 Cb 0.00 0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.23 2k3m h ASP 82 CO 0.00 -0.57 0.57 0.00 -2.88 0.00 0.00 179.24 176.36 2k3m h ALA 83 N -1.44 1.60 -0.88 -0.78 0.00 -1.54 -2.94 119.26 113.27 2k3m h ALA 83 Ca -0.09 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.11 2k3m h ALA 83 Cb 0.72 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 2k3m h ALA 83 CO 0.11 0.24 0.58 -0.11 0.00 0.00 0.00 179.25 180.07 2k3m n LEU 84 N -4.51 0.11 0.26 0.00 -0.00 -0.86 0.12 117.00 112.12 2k3m n LEU 84 Ca 0.14 0.81 0.04 0.00 -0.00 0.00 0.00 56.01 57.00 2k3m n LEU 84 Cb 0.26 -0.40 0.19 0.00 -0.00 0.00 0.00 43.42 43.47 2k3m n LEU 84 CO 0.32 -0.88 0.92 0.40 -0.00 0.00 0.00 177.39 178.15 2k3m h ILE 85 N 0.00 0.00 0.84 1.96 2.04 -1.66 0.11 117.51 120.80 2k3m h ILE 85 Ca 0.54 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.36 2k3m h ILE 85 Cb 1.79 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2k3m h ILE 85 CO -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 177.50 2k3m h ALA 86 N 0.40 -1.12 -0.65 1.87 0.00 0.62 0.41 119.26 120.78 2k3m h ALA 86 Ca 0.00 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 86 Cb 1.43 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 2k3m h ALA 86 CO 0.00 -1.12 0.92 0.39 0.00 0.00 0.00 179.25 179.45 2k3m n GLU 87 N -5.56 0.01 -0.12 0.00 4.71 0.39 0.43 120.64 120.50 2k3m n GLU 87 Ca -0.15 0.79 -0.21 0.00 -0.01 0.00 0.00 57.16 57.58 2k3m n GLU 87 Cb 0.45 -1.99 -0.11 0.00 -1.01 0.00 0.00 31.44 28.78 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k3m n ALA 88 N -1.88 1.42 -1.32 0.62 0.00 -0.88 -4.40 120.51 114.08 2k3m n ALA 88 Ca 0.15 -1.04 -0.33 0.00 0.00 0.00 0.00 53.44 52.22 2k3m n ALA 88 Cb 1.12 0.02 0.10 0.00 0.00 0.00 0.00 19.45 20.68 2k3m n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3m n VAL 89 N -3.54 3.55 0.27 0.00 0.31 0.79 -4.63 118.33 115.09 2k3m n VAL 89 Ca -0.46 -2.77 0.17 0.00 -0.01 0.00 0.00 64.34 61.27 2k3m n VAL 89 Cb 0.93 -1.04 0.87 0.00 -0.91 0.00 0.00 33.84 33.68 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k3m h GLY 90 N 1.83 0.00 0.00 2.92 0.00 0.88 -3.28 103.07 105.42 2k3m h GLY 90 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2k3m h GLY 90 CO 1.51 0.00 0.00 -1.05 0.00 0.00 0.00 176.54 177.00 2k3m n PRO 91 N -2.70 0.00 -0.24 4.80 -0.02 -1.26 -2.46 135.00 133.12 2k3m n PRO 91 Ca -0.02 0.00 0.31 0.00 -2.02 0.00 0.00 63.50 61.78 2k3m n PRO 91 Cb 0.10 -0.91 0.73 0.00 -0.02 0.00 0.00 33.50 33.40 2k3m n PRO 91 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2k3m h HIS 92 N 0.00 0.01 0.90 6.00 -0.00 -1.92 0.24 115.15 120.37 2k3m h HIS 92 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 2k3m h HIS 92 Cb 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2k3m h HIS 92 CO 0.00 0.00 -0.43 1.25 -0.00 0.00 0.00 177.93 178.75 2k3m h LEU 93 N 0.01 -1.02 -0.68 0.26 5.85 -1.85 1.59 115.31 119.47 2k3m h LEU 93 Ca 0.48 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.37 2k3m h LEU 93 Cb 1.92 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 43.09 2k3m h LEU 93 CO -0.01 -0.70 -0.22 0.00 -0.34 0.00 0.00 178.44 177.16 2k3m h ALA 94 N -1.39 0.32 0.00 1.25 0.00 -0.89 4.90 119.26 123.45 2k3m h ALA 94 Ca -0.12 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k3m h ALA 94 Cb 0.93 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2k3m h ALA 94 CO 0.20 -0.49 -0.01 0.00 0.00 0.00 0.00 179.25 178.96 2k3m h ARG 95 N -0.05 0.00 0.04 0.00 -0.00 -0.76 -1.44 114.38 112.17 2k3m h ARG 95 Ca 0.31 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.81 2k3m h ARG 95 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.47 2k3m h ARG 95 CO -0.72 0.01 -0.14 0.00 0.00 0.00 0.00 179.97 179.12 2k3m h ALA 96 N 1.99 -0.19 -1.42 0.04 0.00 2.17 0.29 119.26 122.14 2k3m h ALA 96 Ca -0.00 -0.00 0.41 0.00 0.00 0.00 0.00 54.91 55.32 2k3m h ALA 96 Cb 0.01 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2k3m h ALA 96 CO 0.00 -0.64 1.09 -0.11 0.00 0.00 0.00 179.25 179.59 2k3m n LEU 97 N -5.26 0.00 -0.07 0.00 7.94 -0.46 0.55 117.00 119.70 2k3m n LEU 97 Ca -0.06 0.74 -0.11 0.00 -1.11 0.00 0.00 56.01 55.48 2k3m n LEU 97 Cb 0.18 -0.36 -0.09 0.00 0.53 0.00 0.00 43.42 43.69 2k3m n LEU 97 CO 0.28 -0.74 0.16 1.23 -1.11 0.00 0.00 177.39 177.20 2k3m h GLY 98 N 0.00 0.00 0.23 -3.96 0.00 -0.58 -3.25 103.07 95.51 2k3m h GLY 98 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 2k3m h GLY 98 CO -0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 2k3m n GLN 99 N -4.63 0.96 0.10 4.80 6.02 1.11 -3.72 117.38 122.02 2k3m n GLN 99 Ca -0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.76 2k3m n GLN 99 Cb 0.37 -1.12 -0.07 0.00 1.02 0.00 0.00 30.24 30.44 2k3m n GLN 99 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 2k3m h ILE 100 N 0.00 0.89 0.30 5.09 2.10 1.42 0.19 117.51 127.51 2k3m h ILE 100 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.90 2k3m h ILE 100 Cb 0.00 0.92 -0.03 0.00 -1.09 0.00 0.00 36.82 36.62 2k3m h ILE 100 CO 0.00 0.01 -0.38 0.58 -1.08 0.00 0.00 178.15 177.28 2k3m h VAL 101 N -0.19 0.22 -0.88 2.19 2.07 -1.79 0.76 116.25 118.63 2k3m h VAL 101 Ca -0.02 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.76 2k3m h VAL 101 Cb 0.15 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2k3m h VAL 101 CO 0.03 0.00 0.97 0.00 0.02 0.00 0.00 177.57 178.59 2k3m h ARG 103 N 0.00 0.17 -0.60 0.00 9.65 0.30 -2.00 114.38 121.90 2k3m h ARG 103 Ca 0.42 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2k3m h ARG 103 Cb 2.35 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 31.04 2k3m h ARG 103 CO -0.00 1.14 0.00 0.98 2.80 0.00 0.00 179.97 184.89 2k3m n TYR 104 N -4.02 1.99 -0.96 2.20 9.36 0.22 -4.38 117.16 121.55 2k3m n TYR 104 Ca -0.27 -0.69 0.00 0.00 3.32 0.00 0.00 57.90 60.26 2k3m n TYR 104 Cb 0.84 -0.48 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k3m n GLY 105 N 0.64 0.79 0.00 2.98 0.00 0.97 -4.92 105.19 105.65 2k3m n GLY 105 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2k3m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3m n ALA 106 N 0.00 0.00 0.98 4.61 0.00 -0.75 -4.46 120.51 120.89 2k3m n ALA 106 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2k3m n ALA 106 Cb 0.04 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.53 2k3m n ALA 106 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k3m n THR 107 N 0.00 0.00 -0.07 0.00 -2.24 -1.26 -4.44 114.28 106.27 2k3m n THR 107 Ca 0.00 -0.36 -0.05 0.00 -2.27 0.00 0.00 64.05 61.36 2k3m n THR 107 Cb 0.00 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 2k3m n THR 107 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2k3m h VAL 108 N 3.32 0.30 -0.72 2.28 3.04 -1.95 -3.39 116.25 119.13 2k3m h VAL 108 Ca 0.00 -1.27 0.16 0.00 -1.01 0.00 0.00 66.70 64.58 2k3m h VAL 108 Cb 0.84 0.61 -0.12 0.00 -2.01 0.00 0.00 31.29 30.61 2k3m h VAL 108 CO 0.00 0.10 0.01 0.16 -1.01 0.00 0.00 177.57 176.83 2k3m h ILE 109 N -1.00 0.38 -1.02 3.17 3.07 -1.96 -2.79 117.51 117.36 2k3m h ILE 109 Ca -0.04 -0.04 0.41 0.00 1.55 0.00 0.00 64.86 66.75 2k3m h ILE 109 Cb 0.43 0.26 -0.17 0.00 -0.27 0.00 0.00 36.82 37.07 2k3m h ILE 109 CO -0.02 0.02 0.56 1.55 -1.05 0.00 0.00 178.15 179.21 2k3m h PRO 110 N 0.11 0.04 0.15 0.16 0.13 -1.78 2.00 132.00 132.82 2k3m h PRO 110 Ca 0.39 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.51 2k3m h PRO 110 Cb 0.67 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2k3m h PRO 110 CO -0.63 0.03 -0.07 -0.91 -0.23 0.00 0.00 178.00 176.19 2k3m h ASN 111 N 0.04 -0.17 0.67 1.44 2.35 -1.74 -3.15 115.58 115.02 2k3m h ASN 111 Ca 0.84 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.54 2k3m h ASN 111 Cb 2.20 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 40.60 2k3m h ASN 111 CO -0.74 -0.10 -0.25 0.16 -1.65 0.00 0.00 177.43 174.85 2k3m h ILE 112 N -0.25 0.73 0.39 2.81 3.07 -1.56 -3.18 117.51 119.51 2k3m h ILE 112 Ca -0.02 -1.07 -0.01 0.00 1.55 0.00 0.00 64.86 65.31 2k3m h ILE 112 Cb 0.16 1.68 -0.02 0.00 -0.27 0.00 0.00 36.82 38.36 2k3m h ILE 112 CO 0.03 0.25 -0.42 -1.13 -1.05 0.00 0.00 178.15 175.83 2k3m h ASN 113 N 0.00 -1.17 0.50 2.16 -1.24 0.31 0.36 115.58 116.51 2k3m h ASN 113 Ca -0.00 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 2k3m h ASN 113 Cb 0.65 0.39 -0.00 0.00 0.73 0.00 0.00 38.32 40.09 2k3m h ASN 113 CO 0.03 -0.55 -0.01 0.00 -1.29 0.00 0.00 177.43 175.61 2k3m h ALA 114 N -1.03 1.03 0.20 1.57 0.00 -1.61 -0.86 119.26 118.55 2k3m h ALA 114 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2k3m h ALA 114 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k3m h ALA 114 CO -0.07 0.01 -0.09 0.00 0.00 0.00 0.00 179.25 179.10 2k3m h ALA 115 N 1.99 -0.30 -0.43 0.00 0.00 -1.14 -3.25 119.26 116.13 2k3m h ALA 115 Ca -0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2k3m h ALA 115 Cb 0.27 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k3m h ALA 115 CO 0.00 -0.29 -0.23 -0.84 0.00 0.00 0.00 179.25 177.90 2k3m h ILE 116 N -0.89 1.28 -0.10 0.00 3.07 -0.31 -3.25 117.51 117.30 2k3m h ILE 116 Ca -0.03 -1.38 0.02 0.00 1.55 0.00 0.00 64.86 65.02 2k3m h ILE 116 Cb 0.20 1.25 -0.03 0.00 -0.27 0.00 0.00 36.82 37.97 2k3m h ILE 116 CO 0.04 0.47 -0.21 -0.08 -1.05 0.00 0.00 178.15 177.32 2k3m h GLU 117 N 0.73 -0.18 0.00 0.16 4.81 -1.32 0.92 114.58 119.70 2k3m h GLU 117 Ca 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2k3m h GLU 117 Cb 0.80 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2k3m h GLU 117 CO 0.07 -0.12 0.36 0.28 -0.73 0.00 0.00 179.01 178.87 2k3m n VAL 118 N -3.69 0.55 -0.02 0.32 0.31 -1.23 -0.61 118.33 113.96 2k3m n VAL 118 Ca -0.02 0.73 -0.01 0.00 -0.01 0.00 0.00 64.34 65.03 2k3m n VAL 118 Cb 0.14 -1.73 -0.00 0.00 -0.91 0.00 0.00 33.84 31.33 2k3m n VAL 118 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2k3m h LEU 119 N 0.00 -0.04 0.00 7.52 7.12 0.81 -3.44 115.31 127.28 2k3m h LEU 119 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2k3m h LEU 119 Cb 0.72 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 2k3m h LEU 119 CO 0.00 0.32 0.00 0.61 -0.13 0.00 0.00 178.44 179.24 2k3m n GLY 120 N 1.68 -0.42 0.00 3.75 0.00 0.22 -4.97 105.19 105.45 2k3m n GLY 120 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k3m n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 121 N -0.25 0.00 0.00 2.61 -1.04 -1.06 -5.04 114.28 109.49 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3m n GLY 122 N 0.00 2.47 2.12 3.41 0.00 -1.24 -4.92 105.19 107.03 2k3m n GLY 122 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 2k3m n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 123 N 0.00 0.00 -3.87 2.61 5.66 -1.26 -4.83 114.28 112.59 2k3m n THR 123 Ca 0.00 -0.21 -0.12 0.00 -3.05 0.00 0.00 64.05 60.68 2k3m n THR 123 Cb 0.00 -0.10 -0.13 0.00 -1.55 0.00 0.00 70.33 68.55 2k3m n THR 123 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k3m s ASP 124 N 1.74 -0.02 -0.07 1.09 -1.08 -1.26 -5.16 116.67 111.92 2k3m s ASP 124 Ca 0.81 0.03 -0.20 0.00 -0.52 0.00 0.00 52.55 52.66 2k3m s ASP 124 Cb -0.59 0.11 0.04 0.00 -1.46 0.00 0.00 42.92 41.02 2k3m s ASP 124 CO 0.33 -0.07 0.46 -0.47 0.52 0.00 0.00 175.17 175.94 2k3m s TYR 125 N -0.21 -0.41 0.01 -5.34 5.04 -1.26 -5.18 117.35 110.01 2k3m s TYR 125 Ca -0.03 0.79 -0.11 0.00 -2.44 0.00 0.00 57.07 55.29 2k3m s TYR 125 Cb -0.02 0.21 0.01 0.00 0.35 0.00 0.00 41.96 42.51 2k3m s TYR 125 CO 0.00 -0.42 0.23 1.03 -1.34 0.00 0.00 175.55 175.05 2k3m s ARG 126 N -0.85 0.65 0.00 4.97 1.81 -1.26 -5.22 118.95 119.04 2k3m s ARG 126 Ca -0.09 -0.42 0.09 0.00 -1.72 0.00 0.00 55.73 53.59 2k3m s ARG 126 Cb -0.03 0.28 0.07 0.00 -0.45 0.00 0.00 34.95 34.81 2k3m s ARG 126 CO 0.05 -0.18 0.78 1.97 -0.68 0.00 0.00 175.30 177.23