#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 3.41 -1.26 -4.80 113.62 118.81 2k3m n SER 2 Ca 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 2k3m n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k3m n SER 2 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2k3m n ASP 3 N -0.64 0.00 -3.61 4.04 5.75 -1.26 -5.18 116.55 115.64 2k3m n ASP 3 Ca 0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.66 2k3m n ASP 3 Cb 0.02 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.04 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2k3m s PHE 4 N -1.22 -0.44 -0.07 2.11 5.36 -1.26 -5.17 117.98 117.30 2k3m s PHE 4 Ca 0.00 0.67 -0.12 0.00 -0.96 0.00 0.00 56.93 56.52 2k3m s PHE 4 Cb 0.00 0.29 0.02 0.00 -0.34 0.00 0.00 43.02 42.99 2k3m s PHE 4 CO 0.00 -0.55 0.29 -0.51 -1.46 0.00 0.00 175.22 172.99 2k3m s ASP 5 N -1.45 -0.24 0.00 6.13 1.01 -1.26 -4.98 116.67 115.88 2k3m s ASP 5 Ca -0.10 0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.50 2k3m s ASP 5 Cb -0.02 0.47 0.00 0.00 1.01 0.00 0.00 42.92 44.38 2k3m s ASP 5 CO 0.05 -0.26 0.00 0.41 0.21 0.00 0.00 175.17 175.58 2k3m n THR 6 N 2.18 0.00 -0.21 -1.27 -1.04 -1.26 -4.46 114.28 108.22 2k3m n THR 6 Ca -0.17 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.80 2k3m n THR 6 Cb 0.57 -0.53 0.06 0.00 -1.82 0.00 0.00 70.33 68.62 2k3m n THR 6 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2k3m h GLU 7 N 0.00 0.68 0.48 -2.82 4.81 -1.99 4.91 114.58 120.65 2k3m h GLU 7 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2k3m h GLU 7 Cb 0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2k3m h GLU 7 CO 0.00 0.45 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.41 2k3m h ARG 8 N 0.70 -0.63 0.25 1.92 2.43 -1.95 0.18 114.38 117.29 2k3m h ARG 8 Ca 0.25 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2k3m h ARG 8 Cb 0.06 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2k3m h ARG 8 CO -0.12 -0.42 -0.12 -0.39 -1.51 0.00 0.00 179.97 177.42 2k3m h VAL 9 N -1.11 0.78 0.29 0.20 -1.51 -1.89 0.27 116.25 113.28 2k3m h VAL 9 Ca -0.07 -0.14 -0.01 0.00 -1.23 0.00 0.00 66.70 65.25 2k3m h VAL 9 Cb 0.50 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 2k3m h VAL 9 CO 0.11 0.03 -0.14 0.28 -1.23 0.00 0.00 177.57 176.62 2k3m h SER 10 N -0.40 -0.33 -0.59 4.19 0.02 0.97 0.17 113.55 117.59 2k3m h SER 10 Ca -0.03 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2k3m h SER 10 Cb 0.31 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2k3m h SER 10 CO 0.06 -0.14 0.31 0.03 -1.14 0.00 0.00 176.83 175.95 2k3m h ARG 11 N -0.58 0.83 0.39 3.45 3.08 -0.37 3.10 114.38 124.28 2k3m h ARG 11 Ca -0.04 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2k3m h ARG 11 Cb 0.30 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2k3m h ARG 11 CO 0.06 0.65 -0.19 0.00 -1.07 0.00 0.00 179.97 179.42 2k3m h ALA 12 N 1.14 -0.53 0.50 0.04 0.00 0.58 0.75 119.26 121.75 2k3m h ALA 12 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2k3m h ALA 12 Cb 0.07 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k3m h ALA 12 CO -0.03 -0.55 -0.24 0.28 0.00 0.00 0.00 179.25 178.71 2k3m h VAL 13 N -1.02 0.49 0.41 0.00 2.07 -0.30 1.19 116.25 119.09 2k3m h VAL 13 Ca -0.05 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2k3m h VAL 13 Cb 0.52 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2k3m h VAL 13 CO 0.09 0.03 -0.25 0.00 0.02 0.00 0.00 177.57 177.45 2k3m h ALA 14 N -0.31 -1.10 0.08 1.67 0.00 0.57 3.26 119.26 123.43 2k3m h ALA 14 Ca -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k3m h ALA 14 Cb 0.56 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2k3m h ALA 14 CO 0.11 -1.07 -0.28 0.00 0.00 0.00 0.00 179.25 178.01 2k3m h ALA 15 N -1.53 -0.45 0.41 0.00 0.00 0.54 1.90 119.26 120.13 2k3m h ALA 15 Ca -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k3m h ALA 15 Cb 0.50 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k3m h ALA 15 CO 0.06 -0.81 -0.20 0.00 0.00 0.00 0.00 179.25 178.30 2k3m h ALA 16 N 0.26 -0.55 0.21 0.00 0.00 0.15 2.74 119.26 122.07 2k3m h ALA 16 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 16 Cb 0.52 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2k3m h ALA 16 CO -0.19 -0.67 -0.26 1.25 0.00 0.00 0.00 179.25 179.39 2k3m h LEU 17 N -0.84 -0.70 0.36 0.00 5.85 0.62 0.57 115.31 121.17 2k3m h LEU 17 Ca -0.06 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k3m h LEU 17 Cb 0.55 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2k3m h LEU 17 CO 0.09 -0.36 -0.17 -0.37 -0.34 0.00 0.00 178.44 177.29 2k3m h VAL 18 N -0.52 0.21 -0.87 1.05 -1.51 0.31 -3.37 116.25 111.56 2k3m h VAL 18 Ca 0.01 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 2k3m h VAL 18 Cb 0.50 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 2k3m h VAL 18 CO -0.09 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 176.91 2k3m n GLY 19 N 0.39 -3.60 0.12 5.19 0.00 0.92 -4.86 105.19 103.35 2k3m n GLY 19 Ca -0.07 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 0.84 1.61 0.14 -1.76 -3.31 132.00 129.52 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 0.54 -0.40 0.78 0.14 0.00 0.00 178.00 179.06 2k3m h GLY 21 N 3.46 -1.18 0.74 1.56 0.00 -1.78 4.71 103.07 110.57 2k3m h GLY 21 Ca -0.03 0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.74 2k3m h GLY 21 CO 0.07 -0.43 -0.17 -1.33 0.00 0.00 0.00 176.54 174.68 2k3m h GLY 22 N -1.30 -0.34 1.13 4.60 0.00 -0.15 0.50 103.07 107.50 2k3m h GLY 22 Ca -0.12 0.20 0.10 0.00 0.00 0.00 0.00 47.33 47.52 2k3m h GLY 22 CO 0.19 -0.17 0.35 -2.08 0.00 0.00 0.00 176.54 174.83 2k3m h VAL 23 N -0.36 0.87 0.71 4.60 2.07 -1.00 0.24 116.25 123.38 2k3m h VAL 23 Ca 0.02 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2k3m h VAL 23 Cb 0.36 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2k3m h VAL 23 CO -0.07 0.05 -0.34 0.00 0.02 0.00 0.00 177.57 177.22 2k3m h ALA 24 N 1.74 -1.24 -0.33 1.67 0.00 1.41 0.64 119.26 123.16 2k3m h ALA 24 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2k3m h ALA 24 Cb 0.60 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2k3m h ALA 24 CO -0.05 -1.17 0.17 -0.07 0.00 0.00 0.00 179.25 178.13 2k3m h LEU 25 N -0.97 0.42 0.99 0.00 3.38 -0.58 0.80 115.31 119.35 2k3m h LEU 25 Ca -0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2k3m h LEU 25 Cb 0.73 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.38 2k3m h LEU 25 CO 0.16 0.40 -0.48 0.58 0.09 0.00 0.00 178.44 179.19 2k3m h VAL 26 N 0.40 0.02 -0.74 1.22 2.07 -0.99 0.56 116.25 118.79 2k3m h VAL 26 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2k3m h VAL 26 Cb 0.08 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 2k3m h VAL 26 CO -0.02 0.00 0.49 1.62 0.02 0.00 0.00 177.57 179.68 2k3m h VAL 27 N -1.34 1.10 0.45 2.57 3.04 -0.87 0.56 116.25 121.77 2k3m h VAL 27 Ca -0.14 -0.30 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 2k3m h VAL 27 Cb 1.03 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2k3m h VAL 27 CO 0.22 0.16 -0.22 0.50 -1.01 0.00 0.00 177.57 177.22 2k3m h LYS 28 N 0.89 -0.58 -0.11 4.17 3.64 -0.61 0.44 116.57 124.40 2k3m h LYS 28 Ca 0.30 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2k3m h LYS 28 Cb 0.08 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2k3m h LYS 28 CO -0.09 -0.28 0.05 0.28 -2.27 0.00 0.00 179.45 177.14 2k3m h VAL 29 N -0.89 1.11 0.59 2.00 2.07 0.49 0.49 116.25 122.12 2k3m h VAL 29 Ca -0.06 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2k3m h VAL 29 Cb 0.57 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2k3m h VAL 29 CO 0.10 0.10 -0.28 0.00 0.02 0.00 0.00 177.57 177.51 2k3m h ALA 31 N -1.42 0.07 -3.61 0.00 0.00 -0.15 -3.48 119.26 110.66 2k3m h ALA 31 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k3m h ALA 31 Cb 0.60 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k3m h ALA 31 CO 0.13 -0.50 -0.01 0.41 0.00 0.00 0.00 179.25 179.28 2k3m n GLY 32 N -1.18 -0.56 0.62 0.00 0.00 0.17 -4.83 105.19 99.41 2k3m n GLY 32 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2k3m n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3m n LEU 33 N -1.15 -0.82 -0.15 0.99 4.77 -1.25 -4.91 117.00 114.48 2k3m n LEU 33 Ca 0.00 0.00 0.28 0.00 -0.03 0.00 0.00 56.01 56.26 2k3m n LEU 33 Cb 0.47 -0.41 0.72 0.00 -2.33 0.00 0.00 43.42 41.87 2k3m n LEU 33 CO 0.14 0.00 1.26 -0.65 -1.33 0.00 0.00 177.39 176.80 2k3m h PRO 34 N 0.00 0.00 0.81 3.23 0.11 -1.88 -2.80 132.00 131.47 2k3m h PRO 34 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2k3m h PRO 34 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 2k3m h PRO 34 CO 0.00 0.00 -0.39 0.78 -0.21 0.00 0.00 178.00 178.18 2k3m h GLY 35 N 0.00 -1.13 -1.42 -0.55 0.00 -1.92 -3.43 103.07 94.61 2k3m h GLY 35 Ca 0.40 0.42 -0.47 0.00 0.00 0.00 0.00 47.33 47.69 2k3m h GLY 35 CO -0.00 -0.41 0.18 0.54 0.00 0.00 0.00 176.54 176.84 2k3m s VAL 36 N -5.19 3.06 0.00 4.60 0.11 -1.06 -4.89 120.40 117.03 2k3m s VAL 36 Ca -0.16 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 2k3m s VAL 36 Cb 0.02 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 2k3m s VAL 36 CO 0.48 -0.26 0.00 0.00 -3.33 0.00 0.00 175.10 171.99 2k3m n ILE 37 N -2.69 0.00 -3.82 7.04 3.06 -1.26 -4.78 119.36 116.91 2k3m n ILE 37 Ca 0.06 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.18 2k3m n ILE 37 Cb 0.59 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.62 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 2k3m s HIS 38 N 0.00 -0.01 -0.16 9.51 3.76 -1.26 -5.11 115.29 122.02 2k3m s HIS 38 Ca 0.00 0.09 -0.05 0.00 -0.15 0.00 0.00 55.06 54.95 2k3m s HIS 38 Cb 0.00 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.56 2k3m s HIS 38 CO 0.00 -0.05 0.01 0.99 -0.85 0.00 0.00 174.74 174.84 2k3m s THR 39 N 0.48 4.34 0.38 1.30 2.01 -1.26 -5.00 115.64 117.89 2k3m s THR 39 Ca -0.04 -0.20 0.28 0.00 0.31 0.00 0.00 61.69 62.05 2k3m s THR 39 Cb -0.06 -2.92 0.30 0.00 0.01 0.00 0.00 72.50 69.84 2k3m s THR 39 CO -0.01 0.49 2.06 1.55 -0.69 0.00 0.00 174.62 178.01 2k3m h PRO 40 N 6.54 0.00 -5.06 4.92 0.13 -2.07 -3.41 132.00 133.05 2k3m h PRO 40 Ca -0.36 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.27 2k3m h PRO 40 Cb 1.18 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.00 2k3m h PRO 40 CO 0.66 0.12 -0.82 0.00 -0.23 0.00 0.00 178.00 177.72 2k3m s ALA 41 N -4.09 1.26 0.08 -0.56 0.00 -1.26 -5.12 121.76 112.06 2k3m s ALA 41 Ca -0.02 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 2k3m s ALA 41 Cb 0.12 -0.42 0.09 0.00 0.00 0.00 0.00 23.12 22.92 2k3m s ALA 41 CO 0.58 0.23 1.13 -0.98 0.00 0.00 0.00 175.76 176.72 2k3m s ARG 42 N 0.05 0.83 0.00 0.00 1.70 -1.26 -4.97 118.95 115.30 2k3m s ARG 42 Ca -0.02 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 2k3m s ARG 42 Cb -0.10 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 2k3m s ARG 42 CO 0.01 -0.38 0.12 -2.13 -1.08 0.00 0.00 175.30 171.84 2k3m n ARG 43 N -0.55 0.17 0.00 3.89 3.00 -1.26 -4.61 116.66 117.30 2k3m n ARG 43 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2k3m n ARG 43 Cb 0.61 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.85 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k3m n GLY 44 N 0.62 2.26 1.66 5.14 0.00 -1.26 -4.76 105.19 108.85 2k3m n GLY 44 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2k3m n GLY 44 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2k3m n PHE 45 N -0.59 -0.37 0.00 1.61 -1.74 -1.26 -5.15 117.46 109.95 2k3m n PHE 45 Ca 0.00 -0.34 0.00 0.00 -0.56 0.00 0.00 57.45 56.55 2k3m n PHE 45 Cb 0.00 0.16 0.00 0.00 1.52 0.00 0.00 39.48 41.16 2k3m n PHE 45 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2k3m n PHE 46 N -0.37 0.00 0.00 2.97 -0.00 -1.26 -5.08 117.46 113.72 2k3m n PHE 46 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 2k3m n PHE 46 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.72 2k3m n PHE 46 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2k3m n ARG 47 N 1.14 0.00 -2.31 -4.13 0.63 -1.26 -5.04 116.66 105.68 2k3m n ARG 47 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k3m s ASN 49 N -1.39 -0.19 -0.25 0.00 -0.87 -1.26 -5.04 114.94 105.93 2k3m s ASN 49 Ca 0.06 -0.39 -0.04 0.00 -1.57 0.00 0.00 52.86 50.92 2k3m s ASN 49 Cb -0.02 0.47 -0.04 0.00 -0.02 0.00 0.00 41.25 41.64 2k3m s ASN 49 CO 0.50 -0.86 1.34 -0.81 -2.57 0.00 0.00 177.10 174.70 2k3m n PRO 50 N -0.22 0.57 -4.01 -0.60 -0.04 -1.26 -4.33 135.00 125.11 2k3m n PRO 50 Ca -0.15 -0.81 -0.32 0.00 -0.04 0.00 0.00 63.50 62.18 2k3m n PRO 50 Cb 0.63 -2.17 -0.05 0.00 -0.04 0.00 0.00 33.50 31.87 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 5.05 -1.74 -4.04 0.54 1.02 -1.26 -4.88 120.64 115.33 2k3m n GLU 51 Ca 0.16 0.18 -0.10 0.00 -0.02 0.00 0.00 57.16 57.38 2k3m n GLU 51 Cb 0.07 -4.78 -0.07 0.00 -0.02 0.00 0.00 31.44 26.64 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2k3m s ARG 52 N -6.67 1.27 0.76 3.49 0.52 -1.26 -4.99 118.95 112.08 2k3m s ARG 52 Ca 0.63 -1.32 -0.11 0.00 -0.52 0.00 0.00 55.73 54.41 2k3m s ARG 52 Cb -0.36 0.37 0.05 0.00 0.52 0.00 0.00 34.95 35.53 2k3m s ARG 52 CO 0.77 -0.47 1.09 -1.50 0.02 0.00 0.00 175.30 175.21 2k3m s ILE 53 N -4.03 3.29 -0.04 1.52 2.07 -1.26 -4.85 121.20 117.89 2k3m s ILE 53 Ca 0.24 0.42 0.02 0.00 -1.41 0.00 0.00 60.65 59.92 2k3m s ILE 53 Cb 0.03 -3.23 0.02 0.00 0.13 0.00 0.00 42.46 39.41 2k3m s ILE 53 CO 0.06 -0.55 -0.07 -1.58 -1.91 0.00 0.00 174.94 170.89 2k3m s GLN 54 N -5.19 1.03 0.03 3.50 0.74 -1.26 -5.02 119.66 113.49 2k3m s GLN 54 Ca 0.60 -0.21 -0.05 0.00 0.05 0.00 0.00 55.36 55.75 2k3m s GLN 54 Cb -0.14 -0.96 -0.01 0.00 1.10 0.00 0.00 33.01 33.01 2k3m s GLN 54 CO 0.54 -0.01 0.09 -1.50 -0.55 0.00 0.00 175.29 173.85 2k3m s ILE 55 N 0.69 0.13 0.00 -2.34 2.07 -1.26 -4.87 121.20 115.62 2k3m s ILE 55 Ca -0.11 -1.04 0.00 0.00 -1.41 0.00 0.00 60.65 58.10 2k3m s ILE 55 Cb -0.13 -0.79 0.00 0.00 0.13 0.00 0.00 42.46 41.67 2k3m s ILE 55 CO 0.01 -0.57 0.00 0.61 -1.91 0.00 0.00 174.94 173.08 2k3m n GLY 56 N 0.92 0.72 3.52 1.50 0.00 -1.26 -4.84 105.19 105.76 2k3m n GLY 56 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2k3m n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k3m s ASP 57 N -2.29 6.35 0.92 1.61 1.01 -1.26 -5.05 116.67 117.95 2k3m s ASP 57 Ca 0.00 -0.28 -0.09 0.00 0.71 0.00 0.00 52.55 52.89 2k3m s ASP 57 Cb 0.00 -2.34 0.15 0.00 1.01 0.00 0.00 42.92 41.73 2k3m s ASP 57 CO 0.00 -0.84 0.89 0.79 0.21 0.00 0.00 175.17 176.22 2k3m n TRP 58 N 6.45 -3.79 -0.11 4.23 7.02 -1.26 -5.07 117.44 124.91 2k3m n TRP 58 Ca -0.00 -0.93 -0.20 0.00 -1.02 0.00 0.00 57.50 55.35 2k3m n TRP 58 Cb 0.48 -0.68 -0.07 0.00 -2.42 0.00 0.00 31.31 28.62 2k3m n TRP 58 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2k3m n ARG 59 N -2.84 0.56 0.03 -0.99 1.85 -1.26 -4.54 116.66 109.46 2k3m n ARG 59 Ca 0.12 0.28 0.14 0.00 -1.00 0.00 0.00 57.85 57.39 2k3m n ARG 59 Cb 0.41 -1.50 0.55 0.00 -1.05 0.00 0.00 32.46 30.88 2k3m n ARG 59 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2k3m n TYR 60 N -4.36 0.24 0.49 2.89 4.11 -1.26 -3.27 117.16 116.00 2k3m n TYR 60 Ca -0.35 0.07 0.13 0.00 -0.00 0.00 0.00 57.90 57.74 2k3m n TYR 60 Cb 0.70 -0.61 0.33 0.00 -0.00 0.00 0.00 39.34 39.76 2k3m n TYR 60 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 2k3m h GLU 61 N 0.00 0.00 -0.86 -3.48 5.08 -1.99 -3.33 114.58 110.00 2k3m h GLU 61 Ca 0.00 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 2k3m h GLU 61 Cb 0.56 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.66 2k3m h GLU 61 CO 0.00 0.00 0.07 -0.39 -1.00 0.00 0.00 179.01 177.69 2k3m h VAL 62 N 0.00 0.23 -0.23 3.13 -1.51 -1.79 2.75 116.25 118.84 2k3m h VAL 62 Ca 0.00 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.40 2k3m h VAL 62 Cb 0.82 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 2k3m h VAL 62 CO 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 2k3m h ALA 63 N 1.82 0.31 0.76 5.19 0.00 -1.85 1.85 119.26 127.34 2k3m h ALA 63 Ca 0.51 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2k3m h ALA 63 Cb 0.98 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2k3m h ALA 63 CO -0.75 0.03 -0.47 1.25 0.00 0.00 0.00 179.25 179.32 2k3m h HIS 64 N 0.17 -1.25 0.29 0.00 6.17 0.28 -1.99 115.15 118.83 2k3m h HIS 64 Ca 0.06 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 2k3m h HIS 64 Cb 0.40 0.44 0.00 0.00 2.52 0.00 0.00 27.41 30.78 2k3m h HIS 64 CO 0.03 -0.70 -0.14 -0.44 0.71 0.00 0.00 177.93 177.40 2k3m h ASP 65 N -1.15 -0.33 0.00 3.26 3.32 0.39 -3.12 116.42 118.79 2k3m h ASP 65 Ca -0.10 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2k3m h ASP 65 Cb 0.92 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2k3m h ASP 65 CO 0.10 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.36 2k3m n GLY 66 N 0.14 0.61 0.00 2.75 0.00 0.63 -3.64 105.19 105.67 2k3m n GLY 66 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 2k3m n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3m n ARG 67 N 1.14 0.87 -0.47 1.61 1.74 -0.75 -4.17 116.66 116.64 2k3m n ARG 67 Ca 0.00 0.00 0.35 0.00 -0.77 0.00 0.00 57.85 57.43 2k3m n ARG 67 Cb 0.12 -1.18 0.54 0.00 -1.02 0.00 0.00 32.46 30.92 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k3m n LEU 68 N -0.68 0.00 0.24 0.55 -0.00 -1.24 0.34 117.00 116.22 2k3m n LEU 68 Ca 0.08 0.66 -0.09 0.00 -0.00 0.00 0.00 56.01 56.66 2k3m n LEU 68 Cb 0.03 -0.33 -0.04 0.00 -0.00 0.00 0.00 43.42 43.08 2k3m n LEU 68 CO 0.06 -0.67 0.44 -0.07 -0.00 0.00 0.00 177.39 177.15 2k3m h LEU 69 N 0.00 -0.52 0.00 1.47 3.38 -1.92 -0.68 115.31 117.04 2k3m h LEU 69 Ca 0.62 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2k3m h LEU 69 Cb 2.50 0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.38 2k3m h LEU 69 CO -0.01 -0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.19 2k3m n ALA 70 N -2.37 -0.05 0.00 1.53 0.00 1.06 -3.61 120.51 117.07 2k3m n ALA 70 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k3m n ALA 70 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.66 0.69 0.00 0.00 0.00 0.35 -4.39 120.51 115.50 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 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2k3m n ALA 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2k3m n HIS 72 N -0.52 0.00 -0.06 0.00 1.44 -0.26 0.26 115.22 116.07 2k3m n HIS 72 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 2k3m n HIS 72 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 2k3m n HIS 72 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2k3m h MET 73 N 0.00 0.62 -0.91 -1.40 2.86 -1.82 -3.26 114.93 111.01 2k3m h MET 73 Ca 0.00 -0.39 0.24 0.00 -2.06 0.00 0.00 59.70 57.49 2k3m h MET 73 Cb 0.00 0.05 -0.16 0.00 0.06 0.00 0.00 31.60 31.55 2k3m h MET 73 CO 0.00 1.01 0.10 0.28 1.06 0.00 0.00 176.91 179.36 2k3m h VAL 74 N 0.30 0.17 0.00 -2.22 2.07 0.32 0.59 116.25 117.48 2k3m h VAL 74 Ca 0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k3m h VAL 74 Cb 0.98 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k3m h VAL 74 CO 0.09 0.02 0.87 -3.20 0.02 0.00 0.00 177.57 175.37 2k3m n ASN 75 N -5.38 0.00 0.30 0.57 5.15 0.43 -0.53 115.26 115.81 2k3m n ASN 75 Ca 0.21 0.41 0.03 0.00 -0.60 0.00 0.00 54.58 54.64 2k3m n ASN 75 Cb 0.69 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 40.13 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2k3m h GLY 76 N 0.00 0.00 0.02 8.20 0.00 -0.03 1.13 103.07 112.39 2k3m h GLY 76 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 2k3m h GLY 76 CO 0.00 0.00 -1.29 0.16 0.00 0.00 0.00 176.54 175.41 2k3m h ILE 77 N 0.00 0.90 -1.13 2.60 3.07 -1.06 -3.16 117.51 118.73 2k3m h ILE 77 Ca 0.00 -2.18 0.38 0.00 1.55 0.00 0.00 64.86 64.61 2k3m h ILE 77 Cb 1.59 2.22 -0.10 0.00 -0.27 0.00 0.00 36.82 40.26 2k3m h ILE 77 CO 0.00 0.33 0.75 0.52 -1.05 0.00 0.00 178.15 178.69 2k3m n VAL 78 N -4.40 -0.16 0.06 0.16 0.31 0.39 0.57 118.33 115.26 2k3m n VAL 78 Ca -0.32 1.34 0.08 0.00 -0.01 0.00 0.00 64.34 65.42 2k3m n VAL 78 Cb 0.69 -2.20 -0.05 0.00 -0.91 0.00 0.00 33.84 31.38 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2k3m n ILE 79 N -4.09 0.73 1.01 2.52 -6.64 -1.15 -3.90 119.36 107.84 2k3m n ILE 79 Ca 0.31 -0.59 0.12 0.00 -1.77 0.00 0.00 62.75 60.82 2k3m n ILE 79 Cb 1.26 -0.42 0.16 0.00 -1.44 0.00 0.00 39.64 39.20 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k3m n ALA 80 N -2.27 3.82 -0.68 -1.28 0.00 2.33 -3.70 120.51 118.73 2k3m n ALA 80 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2k3m n ALA 80 Cb 0.65 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.43 0.00 0.11 0.00 -0.58 0.79 -4.46 120.64 115.08 2k3m n GLU 81 Ca 0.06 0.16 0.12 0.00 -0.42 0.00 0.00 57.16 57.08 2k3m n GLU 81 Cb 0.34 -0.68 0.15 0.00 -0.57 0.00 0.00 31.44 30.67 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2k3m h ASP 82 N 0.00 0.00 -1.00 1.62 5.19 -1.81 -3.36 116.42 117.06 2k3m h ASP 82 Ca 0.00 -0.09 0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2k3m h ASP 82 Cb 0.00 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 2k3m h ASP 82 CO 0.00 0.04 0.65 0.00 -3.12 0.00 0.00 179.24 176.82 2k3m h ALA 83 N 2.27 1.34 -1.15 3.45 0.00 -1.80 -3.00 119.26 120.37 2k3m h ALA 83 Ca 0.00 -0.04 0.41 0.00 0.00 0.00 0.00 54.91 55.28 2k3m h ALA 83 Cb 0.87 -0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 2k3m h ALA 83 CO 0.00 0.54 0.71 -0.11 0.00 0.00 0.00 179.25 180.39 2k3m n LEU 84 N -4.45 0.22 0.21 0.00 -0.00 -1.26 0.28 117.00 111.99 2k3m n LEU 84 Ca 0.14 1.30 0.07 0.00 -0.00 0.00 0.00 56.01 57.52 2k3m n LEU 84 Cb 0.11 -0.64 0.44 0.00 -0.00 0.00 0.00 43.42 43.33 2k3m n LEU 84 CO 0.34 -1.42 0.76 0.16 -0.00 0.00 0.00 177.39 177.23 2k3m h ILE 85 N 0.00 0.87 0.00 1.96 3.07 -1.84 -2.73 117.51 118.84 2k3m h ILE 85 Ca 0.78 -1.22 0.00 0.00 1.55 0.00 0.00 64.86 65.97 2k3m h ILE 85 Cb 2.40 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 40.69 2k3m h ILE 85 CO -0.48 0.30 -0.48 0.00 -1.05 0.00 0.00 178.15 176.44 2k3m h ALA 86 N 1.69 0.68 0.00 0.16 0.00 0.38 -3.33 119.26 118.85 2k3m h ALA 86 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k3m h ALA 86 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k3m h ALA 86 CO 0.04 0.00 0.15 -1.91 0.00 0.00 0.00 179.25 177.53 2k3m n GLU 87 N -2.19 0.00 0.00 0.00 2.13 -0.92 0.24 120.64 119.90 2k3m n GLU 87 Ca 0.04 0.29 0.12 0.00 0.66 0.00 0.00 57.16 58.26 2k3m n GLU 87 Cb 0.44 -1.65 0.18 0.00 0.27 0.00 0.00 31.44 30.68 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3m n ALA 88 N -1.27 3.68 -0.79 4.31 0.00 -1.25 -3.86 120.51 121.33 2k3m n ALA 88 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 53.44 52.80 2k3m n ALA 88 Cb 0.15 -1.01 0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.11 2.79 -0.09 0.00 0.31 0.66 -4.56 118.33 116.33 2k3m n VAL 89 Ca 0.07 -1.72 0.26 0.00 -0.01 0.00 0.00 64.34 62.94 2k3m n VAL 89 Cb 0.35 -1.05 0.72 0.00 -0.91 0.00 0.00 33.84 32.95 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 2.27 0.00 0.00 2.92 0.00 -1.72 -2.86 103.07 103.68 2k3m h GLY 90 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2k3m h GLY 90 CO 0.89 0.00 0.06 -1.05 0.00 0.00 0.00 176.54 176.44 2k3m n PRO 91 N -3.99 0.00 -0.20 4.80 -0.01 -1.26 -2.29 135.00 132.04 2k3m n PRO 91 Ca 0.15 0.00 0.30 0.00 -0.01 0.00 0.00 63.50 63.94 2k3m n PRO 91 Cb 0.89 -1.01 0.73 0.00 -0.01 0.00 0.00 33.50 34.10 2k3m n PRO 91 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 2k3m h HIS 92 N 0.00 0.00 0.23 6.00 -0.00 -1.92 0.81 115.15 120.28 2k3m h HIS 92 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2k3m h HIS 92 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 2k3m h HIS 92 CO 0.00 0.00 -0.11 1.37 -0.00 0.00 0.00 177.93 179.19 2k3m h LEU 93 N 0.00 -0.26 -0.14 0.26 8.10 -1.79 3.39 115.31 124.86 2k3m h LEU 93 Ca 0.44 0.01 0.05 0.00 0.11 0.00 0.00 57.88 58.49 2k3m h LEU 93 Cb 1.81 0.07 -0.07 0.00 -0.44 0.00 0.00 40.66 42.03 2k3m h LEU 93 CO -0.00 -0.19 -0.37 0.00 -4.11 0.00 0.00 178.44 173.77 2k3m h ALA 94 N 0.46 -0.47 -0.27 0.17 0.00 0.33 1.37 119.26 120.86 2k3m h ALA 94 Ca -0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2k3m h ALA 94 Cb 0.24 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k3m h ALA 94 CO 0.05 -0.86 0.18 0.00 0.00 0.00 0.00 179.25 178.62 2k3m h ARG 95 N -0.44 0.28 -0.23 0.00 3.08 -0.99 -1.04 114.38 115.04 2k3m h ARG 95 Ca 0.09 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.17 2k3m h ARG 95 Cb 0.59 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 2k3m h ARG 95 CO -0.38 0.19 -0.04 0.00 -1.07 0.00 0.00 179.97 178.66 2k3m h ALA 96 N 1.84 0.17 -1.11 0.04 0.00 1.61 0.74 119.26 122.55 2k3m h ALA 96 Ca 0.11 0.08 0.32 0.00 0.00 0.00 0.00 54.91 55.42 2k3m h ALA 96 Cb 0.07 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2k3m h ALA 96 CO -0.02 -0.46 1.09 -0.11 0.00 0.00 0.00 179.25 179.75 2k3m n LEU 97 N -5.19 0.00 -0.08 0.00 0.00 0.14 0.57 117.00 112.43 2k3m n LEU 97 Ca -0.02 0.70 -0.13 0.00 0.00 0.00 0.00 56.01 56.56 2k3m n LEU 97 Cb 0.13 -0.28 -0.09 0.00 0.00 0.00 0.00 43.42 43.19 2k3m n LEU 97 CO 0.24 -0.70 -0.10 1.23 0.00 0.00 0.00 177.39 178.06 2k3m h GLY 98 N 0.00 0.00 0.20 -3.96 0.00 0.38 -3.31 103.07 96.38 2k3m h GLY 98 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 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 -4.57 0.95 0.03 4.80 6.02 0.88 -3.64 117.38 121.85 2k3m n GLN 99 Ca -0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.71 2k3m n GLN 99 Cb 0.45 -1.10 -0.07 0.00 1.02 0.00 0.00 30.24 30.54 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 1.02 0.68 5.09 2.10 1.50 0.99 117.51 128.89 2k3m h ILE 100 Ca 0.00 -0.05 -0.03 0.00 1.08 0.00 0.00 64.86 65.86 2k3m h ILE 100 Cb 0.00 1.01 0.01 0.00 -1.09 0.00 0.00 36.82 36.74 2k3m h ILE 100 CO 0.00 0.01 -0.33 0.58 -1.08 0.00 0.00 178.15 177.34 2k3m h VAL 101 N 0.02 0.33 -1.07 2.19 2.07 -1.79 0.11 116.25 118.11 2k3m h VAL 101 Ca 0.01 -0.01 0.31 0.00 0.82 0.00 0.00 66.70 67.82 2k3m h VAL 101 Cb 0.01 0.34 -0.12 0.00 -1.52 0.00 0.00 31.29 29.99 2k3m h VAL 101 CO -0.00 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.24 2k3m h ARG 103 N 0.37 -0.46 -1.07 0.00 2.43 0.16 -2.98 114.38 112.83 2k3m h ARG 103 Ca 0.68 0.03 -0.37 0.00 -0.81 0.00 0.00 59.98 59.52 2k3m h ARG 103 Cb 1.67 0.10 -0.20 0.00 -0.42 0.00 0.00 29.97 31.12 2k3m h ARG 103 CO -0.45 -0.17 0.47 0.98 -1.51 0.00 0.00 179.97 179.29 2k3m n TYR 104 N -5.19 2.07 0.00 2.20 9.36 0.33 -4.89 117.16 121.04 2k3m n TYR 104 Ca -0.10 -1.59 0.00 0.00 3.32 0.00 0.00 57.90 59.53 2k3m n TYR 104 Cb 0.26 -0.80 0.00 0.00 -0.63 0.00 0.00 39.34 38.17 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 -0.50 -0.84 0.00 2.98 0.00 0.36 -4.92 105.19 102.28 2k3m n GLY 105 Ca 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.01 4.61 0.00 -1.22 -4.58 120.51 119.33 2k3m n ALA 106 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2k3m n ALA 106 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2k3m n ALA 106 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2k3m h THR 107 N 0.00 1.19 -0.36 0.00 2.02 -1.95 -3.34 112.91 110.47 2k3m h THR 107 Ca 0.00 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 2k3m h THR 107 Cb 0.00 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2k3m h THR 107 CO 0.00 0.30 0.20 1.62 0.37 0.00 0.00 175.52 178.01 2k3m h VAL 108 N -0.73 1.14 -0.90 3.16 3.04 -2.00 -3.26 116.25 116.70 2k3m h VAL 108 Ca -0.01 -0.35 0.08 0.00 -1.01 0.00 0.00 66.70 65.41 2k3m h VAL 108 Cb 0.58 0.72 -0.11 0.00 -2.01 0.00 0.00 31.29 30.47 2k3m h VAL 108 CO 0.02 0.14 -0.52 -0.38 -1.01 0.00 0.00 177.57 175.82 2k3m n ILE 109 N -4.77 -0.60 0.29 3.17 5.41 -1.25 0.16 119.36 121.76 2k3m n ILE 109 Ca -0.01 2.17 0.18 0.00 1.00 0.00 0.00 62.75 66.10 2k3m n ILE 109 Cb 0.07 -2.70 0.94 0.00 -0.71 0.00 0.00 39.64 37.24 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2k3m h PRO 110 N 0.00 0.00 0.34 0.38 0.13 -1.70 -2.86 132.00 128.30 2k3m h PRO 110 Ca 0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 2k3m h PRO 110 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2k3m h PRO 110 CO -0.85 0.00 -0.16 -0.91 -0.23 0.00 0.00 178.00 175.85 2k3m h ASN 111 N 0.00 -0.39 -1.06 1.44 2.35 0.14 1.85 115.58 119.91 2k3m h ASN 111 Ca 0.03 0.01 0.31 0.00 -0.55 0.00 0.00 56.30 56.11 2k3m h ASN 111 Cb 0.45 0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 2k3m h ASN 111 CO -0.00 -0.23 0.95 -0.29 -1.65 0.00 0.00 177.43 176.21 2k3m h ILE 112 N -0.55 0.21 0.00 2.81 2.10 -1.47 0.68 117.51 121.28 2k3m h ILE 112 Ca -0.05 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.83 2k3m h ILE 112 Cb 0.35 0.29 -0.01 0.00 -1.09 0.00 0.00 36.82 36.36 2k3m h ILE 112 CO 0.08 0.00 -0.42 -1.13 -1.08 0.00 0.00 178.15 175.59 2k3m h ASN 113 N 0.00 0.00 0.46 2.19 -0.73 -1.38 0.61 115.58 116.73 2k3m h ASN 113 Ca 0.51 -0.56 -0.01 0.00 1.87 0.00 0.00 56.30 58.11 2k3m h ASN 113 Cb 2.40 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.97 2k3m h ASN 113 CO -0.01 1.02 -0.42 0.00 -0.37 0.00 0.00 177.43 177.66 2k3m h ALA 114 N -0.44 -0.95 0.01 1.57 0.00 0.70 -2.69 119.26 117.45 2k3m h ALA 114 Ca -0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k3m h ALA 114 Cb 0.85 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2k3m h ALA 114 CO -0.06 -1.07 -0.00 0.00 0.00 0.00 0.00 179.25 178.12 2k3m h ALA 115 N -0.57 -0.01 0.32 0.00 0.00 -0.06 -3.38 119.26 115.56 2k3m h ALA 115 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 115 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 115 CO -0.04 -0.01 -0.15 0.82 0.00 0.00 0.00 179.25 179.87 2k3m h ILE 116 N -1.00 0.62 -0.43 0.00 2.04 -1.27 -3.31 117.51 114.15 2k3m h ILE 116 Ca -0.00 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2k3m h ILE 116 Cb 0.05 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 2k3m h ILE 116 CO 0.00 0.12 -0.25 1.21 0.00 0.00 0.00 178.15 179.22 2k3m n GLU 117 N -5.12 -0.19 0.29 2.37 0.00 0.20 0.35 120.64 118.54 2k3m n GLU 117 Ca -0.09 1.20 0.05 0.00 0.00 0.00 0.00 57.16 58.32 2k3m n GLU 117 Cb 0.27 -1.78 0.28 0.00 0.00 0.00 0.00 31.44 30.22 2k3m n GLU 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2k3m h VAL 118 N 0.00 0.00 0.00 6.31 2.07 -1.69 0.14 116.25 123.08 2k3m h VAL 118 Ca 0.07 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.49 2k3m h VAL 118 Cb 0.18 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2k3m h VAL 118 CO -0.40 0.00 -0.77 0.25 0.02 0.00 0.00 177.57 176.67 2k3m h LEU 119 N 0.00 0.00 -4.15 2.57 6.46 0.59 -3.40 115.31 117.37 2k3m h LEU 119 Ca 0.00 -0.29 -0.51 0.00 -0.12 0.00 0.00 57.88 56.96 2k3m h LEU 119 Cb 1.36 0.00 -0.20 0.00 -0.73 0.00 0.00 40.66 41.10 2k3m h LEU 119 CO 0.00 1.08 0.58 0.61 -0.62 0.00 0.00 178.44 180.09 2k3m n GLY 120 N 1.55 4.71 4.32 3.75 0.00 0.43 -4.80 105.19 115.14 2k3m n GLY 120 Ca -0.18 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 0.18 0.00 0.00 2.61 -1.04 -0.97 -3.72 114.28 111.33 2k3m n THR 121 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 2k3m n THR 121 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 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 -0.36 2.71 2.00 3.41 0.00 -0.87 -4.85 105.19 107.23 2k3m n GLY 122 Ca 0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 2k3m n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 123 N 0.00 0.00 -3.86 2.61 -1.04 -1.24 -4.86 114.28 105.89 2k3m n THR 123 Ca 0.00 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.86 2k3m n THR 123 Cb 0.00 -0.26 -0.12 0.00 -1.82 0.00 0.00 70.33 68.13 2k3m n THR 123 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2k3m s ASP 124 N 4.60 -0.03 -0.04 8.00 -4.77 -1.26 -5.10 116.67 118.07 2k3m s ASP 124 Ca 0.77 0.03 -0.20 0.00 -3.30 0.00 0.00 52.55 49.86 2k3m s ASP 124 Cb -0.70 0.19 0.04 0.00 -1.09 0.00 0.00 42.92 41.37 2k3m s ASP 124 CO 0.28 -0.14 0.44 -0.72 0.70 0.00 0.00 175.17 175.73 2k3m s TYR 125 N -0.43 -0.35 0.02 2.11 1.13 -1.26 -5.18 117.35 113.39 2k3m s TYR 125 Ca -0.05 0.61 -0.14 0.00 -1.41 0.00 0.00 57.07 56.09 2k3m s TYR 125 Cb -0.03 0.20 0.02 0.00 -1.10 0.00 0.00 41.96 41.05 2k3m s TYR 125 CO 0.00 -0.44 0.30 1.03 -2.51 0.00 0.00 175.55 173.93 2k3m s ARG 126 N -1.15 0.74 0.00 -3.49 1.81 -1.26 -5.21 118.95 110.39 2k3m s ARG 126 Ca -0.12 -0.38 0.00 0.00 -1.72 0.00 0.00 55.73 53.51 2k3m s ARG 126 Cb -0.03 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.79 2k3m s ARG 126 CO 0.06 -0.22 0.00 1.97 -0.68 0.00 0.00 175.30 176.42