#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 3.17 7.64 -1.26 -4.79 113.62 118.38 2k3m n SER 2 Ca 0.00 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.78 2k3m n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2k3m n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k3m n ASP 3 N -0.61 0.00 -3.63 6.43 8.00 -1.26 -5.19 116.55 120.28 2k3m n ASP 3 Ca 0.03 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.38 2k3m n ASP 3 Cb 0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2k3m s PHE 4 N -0.74 -0.42 -0.07 1.24 5.36 -1.26 -5.18 117.98 116.91 2k3m s PHE 4 Ca 0.00 0.67 -0.14 0.00 -0.96 0.00 0.00 56.93 56.50 2k3m s PHE 4 Cb 0.00 0.26 0.03 0.00 -0.34 0.00 0.00 43.02 42.97 2k3m s PHE 4 CO 0.00 -0.51 0.35 0.16 -1.46 0.00 0.00 175.22 173.75 2k3m s ASP 5 N -1.33 -0.29 0.80 6.13 -4.77 -1.26 -5.05 116.67 110.89 2k3m s ASP 5 Ca -0.12 0.41 -0.07 0.00 -3.30 0.00 0.00 52.55 49.48 2k3m s ASP 5 Cb -0.02 0.52 0.14 0.00 -1.09 0.00 0.00 42.92 42.47 2k3m s ASP 5 CO 0.06 -0.30 1.10 -0.89 0.70 0.00 0.00 175.17 175.85 2k3m s THR 6 N -0.60 2.12 0.08 2.11 2.01 -1.26 -4.52 115.64 115.58 2k3m s THR 6 Ca -0.07 -0.36 -0.24 0.00 0.31 0.00 0.00 61.69 61.33 2k3m s THR 6 Cb -0.04 -2.76 -0.16 0.00 0.01 0.00 0.00 72.50 69.55 2k3m s THR 6 CO 0.03 0.00 1.70 -0.33 -0.69 0.00 0.00 174.62 175.32 2k3m h GLU 7 N -0.90 -0.09 0.72 4.92 5.08 -2.00 11.00 114.58 133.31 2k3m h GLU 7 Ca -0.40 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 2k3m h GLU 7 Cb 1.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2k3m h GLU 7 CO 0.42 -0.03 -0.45 0.00 -1.00 0.00 0.00 179.01 177.95 2k3m h ARG 8 N -0.12 -1.06 0.06 2.33 3.08 -1.94 3.24 114.38 119.96 2k3m h ARG 8 Ca -0.01 0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2k3m h ARG 8 Cb 0.10 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2k3m h ARG 8 CO 0.02 -0.71 -0.03 -0.39 -1.07 0.00 0.00 179.97 177.79 2k3m h VAL 9 N -1.10 1.17 0.73 2.04 -1.51 -1.91 0.58 116.25 116.25 2k3m h VAL 9 Ca -0.09 -0.76 -0.04 0.00 -1.23 0.00 0.00 66.70 64.58 2k3m h VAL 9 Cb 0.89 1.67 0.01 0.00 -2.13 0.00 0.00 31.29 31.72 2k3m h VAL 9 CO 0.09 0.19 -0.35 -1.28 -1.23 0.00 0.00 177.57 174.99 2k3m h SER 10 N -0.42 -0.83 0.28 4.19 0.87 2.44 -1.52 113.55 118.56 2k3m h SER 10 Ca -0.01 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2k3m h SER 10 Cb 0.37 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2k3m h SER 10 CO 0.01 -0.51 -0.13 -0.09 -0.53 0.00 0.00 176.83 175.58 2k3m h ARG 11 N -1.15 -0.36 -0.14 2.24 9.65 0.60 2.71 114.38 127.93 2k3m h ARG 11 Ca -0.10 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2k3m h ARG 11 Cb 0.75 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.38 2k3m h ARG 11 CO 0.16 -0.03 -0.08 0.00 2.80 0.00 0.00 179.97 182.82 2k3m h ALA 12 N -0.17 0.04 -0.14 2.80 0.00 0.14 3.18 119.26 125.11 2k3m h ALA 12 Ca -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k3m h ALA 12 Cb 0.50 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2k3m h ALA 12 CO 0.06 -0.53 0.08 0.28 0.00 0.00 0.00 179.25 179.15 2k3m h VAL 13 N -0.08 1.08 0.80 0.00 2.07 -1.08 1.66 116.25 120.71 2k3m h VAL 13 Ca 0.08 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2k3m h VAL 13 Cb 0.20 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2k3m h VAL 13 CO -0.19 0.08 -0.42 0.00 0.02 0.00 0.00 177.57 177.06 2k3m h ALA 14 N 0.99 -1.28 -0.16 1.67 0.00 0.62 4.98 119.26 126.08 2k3m h ALA 14 Ca 0.05 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 14 Cb 0.05 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2k3m h ALA 14 CO -0.01 -1.21 -0.24 0.00 0.00 0.00 0.00 179.25 177.79 2k3m h ALA 15 N -1.41 -0.20 0.53 0.00 0.00 0.59 2.87 119.26 121.64 2k3m h ALA 15 Ca -0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2k3m h ALA 15 Cb 0.87 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.14 2k3m h ALA 15 CO 0.16 -0.69 -0.26 0.00 0.00 0.00 0.00 179.25 178.46 2k3m h ALA 16 N 0.68 -0.71 0.27 0.00 0.00 0.26 2.85 119.26 122.60 2k3m h ALA 16 Ca 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 16 Cb 0.45 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2k3m h ALA 16 CO -0.32 -0.77 -0.33 1.25 0.00 0.00 0.00 179.25 179.08 2k3m h LEU 17 N -0.99 -0.90 0.42 0.00 5.85 1.02 2.25 115.31 122.97 2k3m h LEU 17 Ca -0.07 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2k3m h LEU 17 Cb 0.62 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2k3m h LEU 17 CO 0.12 -0.45 -0.20 -0.37 -0.34 0.00 0.00 178.44 177.20 2k3m h VAL 18 N -0.64 0.14 -0.23 1.05 -1.51 0.51 -3.34 116.25 112.23 2k3m h VAL 18 Ca -0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2k3m h VAL 18 Cb 0.61 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 2k3m h VAL 18 CO -0.10 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 176.88 2k3m n GLY 19 N 0.22 -3.42 0.16 5.19 0.00 0.95 -4.85 105.19 103.45 2k3m n GLY 19 Ca -0.08 -1.21 0.06 0.00 0.00 0.00 0.00 46.02 44.80 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 0.66 1.61 0.13 -1.73 -3.35 132.00 129.32 2k3m h PRO 20 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2k3m h PRO 20 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2k3m h PRO 20 CO 0.00 0.29 -0.31 0.78 -0.23 0.00 0.00 178.00 178.53 2k3m h GLY 21 N 3.71 -0.92 0.77 1.56 0.00 -1.76 1.30 103.07 107.73 2k3m h GLY 21 Ca -0.01 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 2k3m h GLY 21 CO 0.04 -0.33 -0.39 -1.33 0.00 0.00 0.00 176.54 174.53 2k3m h GLY 22 N -1.01 -1.01 1.18 4.60 0.00 0.35 0.29 103.07 107.46 2k3m h GLY 22 Ca -0.09 0.44 0.09 0.00 0.00 0.00 0.00 47.33 47.77 2k3m h GLY 22 CO 0.15 -0.35 0.33 -0.39 0.00 0.00 0.00 176.54 176.28 2k3m h VAL 23 N -0.92 0.88 0.78 4.60 -1.51 -1.40 -0.64 116.25 118.05 2k3m h VAL 23 Ca -0.07 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 65.28 2k3m h VAL 23 Cb 0.76 0.60 0.01 0.00 -2.13 0.00 0.00 31.29 30.53 2k3m h VAL 23 CO 0.04 0.05 -0.38 0.00 -1.23 0.00 0.00 177.57 176.05 2k3m h ALA 24 N 1.75 -1.26 -0.20 5.19 0.00 0.36 0.33 119.26 125.43 2k3m h ALA 24 Ca 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k3m h ALA 24 Cb 0.55 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k3m h ALA 24 CO -0.05 -1.18 0.11 -0.07 0.00 0.00 0.00 179.25 178.07 2k3m h LEU 25 N -1.07 0.25 0.79 0.00 3.38 -0.73 0.19 115.31 118.12 2k3m h LEU 25 Ca -0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2k3m h LEU 25 Cb 0.81 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2k3m h LEU 25 CO 0.18 0.25 -0.46 0.58 0.09 0.00 0.00 178.44 179.08 2k3m h VAL 26 N 0.23 0.08 -0.91 1.22 2.07 -1.17 0.60 116.25 118.37 2k3m h VAL 26 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2k3m h VAL 26 Cb 0.05 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 29.84 2k3m h VAL 26 CO -0.01 0.00 0.59 0.58 0.02 0.00 0.00 177.57 178.75 2k3m h VAL 27 N -1.16 1.06 0.37 2.57 2.07 -0.91 0.46 116.25 120.71 2k3m h VAL 27 Ca -0.11 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2k3m h VAL 27 Cb 0.92 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2k3m h VAL 27 CO 0.13 0.19 -0.18 0.50 0.02 0.00 0.00 177.57 178.23 2k3m h LYS 28 N 1.02 -0.48 0.12 1.57 3.64 -0.28 0.53 116.57 122.69 2k3m h LYS 28 Ca 0.39 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 2k3m h LYS 28 Cb 0.21 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2k3m h LYS 28 CO -0.15 -0.17 -0.06 0.28 -2.27 0.00 0.00 179.45 177.08 2k3m h VAL 29 N -0.82 0.99 0.67 2.00 2.07 0.57 0.64 116.25 122.37 2k3m h VAL 29 Ca -0.05 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2k3m h VAL 29 Cb 0.53 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2k3m h VAL 29 CO 0.08 0.10 -0.32 0.00 0.02 0.00 0.00 177.57 177.45 2k3m h ALA 31 N -1.40 -0.46 -2.96 0.00 0.00 -0.96 -3.48 119.26 110.01 2k3m h ALA 31 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k3m h ALA 31 Cb 0.69 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k3m h ALA 31 CO 0.15 -0.77 0.00 0.41 0.00 0.00 0.00 179.25 179.04 2k3m n GLY 32 N -1.31 -0.25 0.78 0.00 0.00 0.22 -4.81 105.19 99.84 2k3m n GLY 32 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.00 -1.10 0.24 0.99 0.00 -1.25 -4.79 117.00 110.09 2k3m n LEU 33 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.17 2k3m n LEU 33 Cb 0.49 -0.55 0.73 0.00 0.00 0.00 0.00 43.42 44.09 2k3m n LEU 33 CO 0.00 0.00 1.14 -0.65 0.00 0.00 0.00 177.39 177.88 2k3m h PRO 34 N 0.00 0.00 0.70 1.96 0.11 -1.91 -2.89 132.00 129.97 2k3m h PRO 34 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 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 -0.34 0.78 -0.21 0.00 0.00 178.00 178.23 2k3m h GLY 35 N 0.00 -0.98 0.00 -0.55 0.00 -1.93 -3.44 103.07 96.17 2k3m h GLY 35 Ca 0.08 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2k3m h GLY 35 CO -0.00 -0.36 0.00 1.55 0.00 0.00 0.00 176.54 177.73 2k3m n VAL 36 N -4.76 0.00 -2.12 4.60 3.14 -1.09 -4.90 118.33 113.21 2k3m n VAL 36 Ca -0.12 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.23 2k3m n VAL 36 Cb 0.37 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 2k3m n VAL 36 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2k3m n ILE 37 N -0.10 -6.06 -4.09 1.55 2.08 -1.26 -4.99 119.36 106.48 2k3m n ILE 37 Ca 0.00 0.37 -0.19 0.00 0.56 0.00 0.00 62.75 63.49 2k3m n ILE 37 Cb 0.00 -5.47 -0.16 0.00 -0.75 0.00 0.00 39.64 33.26 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 2k3m s HIS 38 N -1.81 0.63 -0.08 1.39 3.76 -1.26 -5.10 115.29 112.81 2k3m s HIS 38 Ca 0.11 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.92 2k3m s HIS 38 Cb -0.03 -0.59 -0.00 0.00 1.11 0.00 0.00 32.58 33.06 2k3m s HIS 38 CO 0.35 -0.17 -0.24 0.99 -0.85 0.00 0.00 174.74 174.81 2k3m s THR 39 N 0.95 2.01 0.00 1.30 2.01 -1.26 -5.08 115.64 115.57 2k3m s THR 39 Ca -0.11 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.88 2k3m s THR 39 Cb -0.14 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.64 2k3m s THR 39 CO -0.00 0.55 0.50 -0.81 -0.69 0.00 0.00 174.62 174.17 2k3m n PRO 40 N 3.30 0.00 -2.08 4.92 -0.04 -1.26 -4.68 135.00 135.16 2k3m n PRO 40 Ca -0.18 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 2k3m n PRO 40 Cb 0.53 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.94 2k3m n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3m s ALA 41 N -2.43 3.64 0.05 0.55 0.00 -1.26 -4.96 121.76 117.35 2k3m s ALA 41 Ca 0.00 1.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 2k3m s ALA 41 Cb 0.00 -3.64 0.10 0.00 0.00 0.00 0.00 23.12 19.58 2k3m s ALA 41 CO 0.00 -0.97 1.20 0.50 0.00 0.00 0.00 175.76 176.48 2k3m s ARG 42 N 2.36 0.68 0.18 0.00 3.52 -1.26 -5.01 118.95 119.42 2k3m s ARG 42 Ca 0.69 -0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 55.75 2k3m s ARG 42 Cb -0.36 0.21 0.13 0.00 -1.56 0.00 0.00 34.95 33.37 2k3m s ARG 42 CO 0.29 -0.31 1.81 -0.09 -0.81 0.00 0.00 175.30 176.19 2k3m h ARG 43 N 2.00 0.58 0.00 5.12 1.12 -1.98 -3.46 114.38 117.75 2k3m h ARG 43 Ca -0.27 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.57 2k3m h ARG 43 Cb 1.20 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.03 2k3m h ARG 43 CO 0.30 0.38 0.00 0.41 -3.11 0.00 0.00 179.97 177.96 2k3m n GLY 44 N -1.25 1.29 3.47 2.80 0.00 -1.26 -5.04 105.19 105.20 2k3m n GLY 44 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.22 -0.24 0.00 1.61 0.40 -1.26 -5.12 117.98 112.14 2k3m s PHE 45 Ca 0.00 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2k3m s PHE 45 Cb 0.00 0.42 0.00 0.00 0.51 0.00 0.00 43.02 43.95 2k3m s PHE 45 CO 0.00 -0.88 0.00 1.19 0.70 0.00 0.00 175.22 176.23 2k3m n PHE 46 N -0.33 0.00 0.00 0.36 3.01 -1.26 -5.15 117.46 114.09 2k3m n PHE 46 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 2k3m n PHE 46 Cb 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 2k3m n PHE 46 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2k3m n ARG 47 N 0.14 0.00 -3.14 -1.08 -4.01 -1.26 -5.06 116.66 102.25 2k3m n ARG 47 Ca 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 57.85 56.75 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2k3m s ASN 49 N -2.88 0.15 0.00 0.00 3.04 -1.26 -5.02 114.94 108.97 2k3m s ASN 49 Ca 0.06 -0.52 0.00 0.00 0.04 0.00 0.00 52.86 52.44 2k3m s ASN 49 Cb -0.01 0.25 0.00 0.00 -1.54 0.00 0.00 41.25 39.95 2k3m s ASN 49 CO 0.78 -0.54 0.52 -2.65 -3.04 0.00 0.00 177.10 172.17 2k3m n PRO 50 N 0.65 0.00 -0.70 0.43 -0.02 -1.26 -3.93 135.00 130.17 2k3m n PRO 50 Ca -0.18 -0.23 -0.03 0.00 -2.02 0.00 0.00 63.50 61.04 2k3m n PRO 50 Cb 0.59 -1.48 -0.01 0.00 -0.02 0.00 0.00 33.50 32.58 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3m n GLU 51 N 3.62 -1.71 -3.90 -0.52 -0.58 -1.26 -4.87 120.64 111.42 2k3m n GLU 51 Ca 0.00 0.30 -0.35 0.00 -0.42 0.00 0.00 57.16 56.69 2k3m n GLU 51 Cb 0.00 -3.90 -0.05 0.00 -0.57 0.00 0.00 31.44 26.91 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2k3m s ARG 52 N -1.47 3.43 0.25 3.49 0.52 -1.25 -5.05 118.95 118.86 2k3m s ARG 52 Ca 0.00 -0.22 -0.31 0.00 -0.52 0.00 0.00 55.73 54.68 2k3m s ARG 52 Cb 0.00 -3.14 -0.14 0.00 0.52 0.00 0.00 34.95 32.19 2k3m s ARG 52 CO 0.00 0.73 1.31 1.51 0.02 0.00 0.00 175.30 178.87 2k3m n ILE 53 N 1.50 1.18 -2.89 1.52 0.13 -1.26 -4.81 119.36 114.72 2k3m n ILE 53 Ca -0.16 -0.29 -0.44 0.00 -1.10 0.00 0.00 62.75 60.76 2k3m n ILE 53 Cb 0.54 -1.33 -0.02 0.00 -0.84 0.00 0.00 39.64 37.99 2k3m n ILE 53 CO 0.00 0.00 0.00 -1.58 2.80 0.00 0.00 176.55 177.77 2k3m s GLN 54 N -0.71 3.70 0.03 9.51 2.00 -1.26 -4.97 119.66 127.96 2k3m s GLN 54 Ca 0.66 -1.87 -0.07 0.00 -2.00 0.00 0.00 55.36 52.09 2k3m s GLN 54 Cb -0.68 -4.99 -0.01 0.00 0.80 0.00 0.00 33.01 28.13 2k3m s GLN 54 CO 0.53 -1.81 0.12 -1.50 -0.50 0.00 0.00 175.29 172.12 2k3m s ILE 55 N 2.69 0.11 0.00 -2.34 2.07 -1.26 -4.88 121.20 117.59 2k3m s ILE 55 Ca 0.36 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.66 2k3m s ILE 55 Cb -0.04 -0.75 0.00 0.00 0.13 0.00 0.00 42.46 41.80 2k3m s ILE 55 CO -0.07 -0.52 0.00 0.61 -1.91 0.00 0.00 174.94 173.05 2k3m n GLY 56 N 0.96 0.85 3.50 1.50 0.00 -1.26 -5.06 105.19 105.67 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 0.51 0.00 0.00 0.00 173.32 173.83 2k3m s ASP 57 N -1.89 6.27 0.96 1.61 -4.77 -1.26 -5.03 116.67 112.56 2k3m s ASP 57 Ca 0.00 -0.61 -0.12 0.00 -3.30 0.00 0.00 52.55 48.52 2k3m s ASP 57 Cb 0.00 -2.43 0.18 0.00 -1.09 0.00 0.00 42.92 39.57 2k3m s ASP 57 CO 0.00 -1.33 1.05 0.79 0.70 0.00 0.00 175.17 176.39 2k3m n TRP 58 N 7.61 -3.89 -0.10 2.11 7.02 -1.26 -5.03 117.44 123.90 2k3m n TRP 58 Ca -0.01 -1.01 -0.18 0.00 -1.02 0.00 0.00 57.50 55.28 2k3m n TRP 58 Cb 0.47 -0.81 -0.06 0.00 -2.42 0.00 0.00 31.31 28.49 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 -3.21 0.51 0.10 -0.99 3.00 -1.26 -4.63 116.66 110.18 2k3m n ARG 59 Ca 0.14 0.21 0.13 0.00 -0.01 0.00 0.00 57.85 58.32 2k3m n ARG 59 Cb 0.47 -1.37 0.43 0.00 0.00 0.00 0.00 32.46 31.99 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 -4.25 0.84 0.43 -1.55 9.36 -1.26 -3.17 117.16 117.57 2k3m n TYR 60 Ca -0.32 0.25 0.11 0.00 3.32 0.00 0.00 57.90 61.27 2k3m n TYR 60 Cb 0.67 -0.91 0.47 0.00 -0.63 0.00 0.00 39.34 38.94 2k3m n TYR 60 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2k3m n GLU 61 N -2.19 0.18 -0.22 2.98 2.13 -1.26 -3.57 120.64 118.69 2k3m n GLU 61 Ca 0.06 0.39 -0.04 0.00 0.66 0.00 0.00 57.16 58.22 2k3m n GLU 61 Cb 0.41 -1.82 0.02 0.00 0.27 0.00 0.00 31.44 30.32 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2k3m h VAL 62 N 0.00 0.20 0.03 6.31 -1.51 -1.82 1.56 116.25 121.01 2k3m h VAL 62 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2k3m h VAL 62 Cb 0.38 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.74 2k3m h VAL 62 CO 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.33 2k3m h ALA 63 N 1.18 -0.04 0.08 5.19 0.00 -1.86 1.68 119.26 125.49 2k3m h ALA 63 Ca 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k3m h ALA 63 Cb 0.54 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2k3m h ALA 63 CO -0.70 -0.39 -0.51 0.45 0.00 0.00 0.00 179.25 178.10 2k3m h HIS 64 N -0.30 -1.47 0.03 0.00 -0.00 -0.83 -2.40 115.15 110.17 2k3m h HIS 64 Ca -0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2k3m h HIS 64 Cb 0.28 0.63 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 2k3m h HIS 64 CO 0.01 -0.58 -0.01 0.22 -0.00 0.00 0.00 177.93 177.57 2k3m h ASP 65 N -0.71 -0.03 0.00 2.45 3.58 0.21 -2.77 116.42 119.14 2k3m h ASP 65 Ca 0.01 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2k3m h ASP 65 Cb 0.74 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2k3m h ASP 65 CO -0.30 0.21 0.00 0.61 -2.88 0.00 0.00 179.24 176.88 2k3m n GLY 66 N -0.46 0.13 0.00 -0.78 0.00 0.57 -3.18 105.19 101.48 2k3m n GLY 66 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 0.94 0.70 -0.36 1.61 3.00 -0.94 -3.96 116.66 117.65 2k3m n ARG 67 Ca 0.00 0.00 0.30 0.00 -0.01 0.00 0.00 57.85 58.15 2k3m n ARG 67 Cb 0.03 -1.50 0.47 0.00 0.00 0.00 0.00 32.46 31.46 2k3m n ARG 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2k3m n LEU 68 N -1.14 0.00 0.23 0.55 4.32 -1.19 0.43 117.00 120.19 2k3m n LEU 68 Ca 0.19 0.63 -0.09 0.00 -0.02 0.00 0.00 56.01 56.72 2k3m n LEU 68 Cb 0.17 -0.28 -0.04 0.00 -1.62 0.00 0.00 43.42 41.65 2k3m n LEU 68 CO 0.20 -0.63 0.40 0.25 -1.22 0.00 0.00 177.39 176.39 2k3m h LEU 69 N 0.00 -0.51 0.00 2.23 6.46 -1.91 -1.84 115.31 119.74 2k3m h LEU 69 Ca 0.53 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.31 2k3m h LEU 69 Cb 2.42 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 42.48 2k3m h LEU 69 CO -0.01 -0.29 0.00 0.00 -0.62 0.00 0.00 178.44 177.52 2k3m n ALA 70 N -2.41 -0.02 0.00 1.25 0.00 1.45 -3.73 120.51 117.05 2k3m n ALA 70 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 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 -1.47 0.47 -0.00 0.00 0.00 0.21 -4.23 120.51 115.48 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 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2k3m n ALA 71 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k3m n HIS 72 N -0.54 0.00 -0.03 0.00 -0.00 -0.69 0.22 115.22 114.18 2k3m n HIS 72 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 2k3m n HIS 72 Cb 0.00 -0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.77 2k3m n HIS 72 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2k3m h MET 73 N 0.00 0.19 -0.70 1.57 2.86 -1.84 -3.32 114.93 113.69 2k3m h MET 73 Ca 0.00 -0.16 0.15 0.00 -2.06 0.00 0.00 59.70 57.63 2k3m h MET 73 Cb 0.00 0.04 -0.13 0.00 0.06 0.00 0.00 31.60 31.57 2k3m h MET 73 CO 0.00 0.83 -0.09 0.28 1.06 0.00 0.00 176.91 178.99 2k3m h VAL 74 N -0.41 0.34 -0.30 -2.22 2.07 0.17 0.75 116.25 116.66 2k3m h VAL 74 Ca -0.02 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2k3m h VAL 74 Cb 0.88 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2k3m h VAL 74 CO 0.04 0.01 1.02 -3.20 0.02 0.00 0.00 177.57 175.46 2k3m n ASN 75 N -5.40 0.00 0.33 0.57 2.85 0.58 -0.32 115.26 113.87 2k3m n ASN 75 Ca 0.10 0.55 0.03 0.00 -0.11 0.00 0.00 54.58 55.16 2k3m n ASN 75 Cb 0.40 -0.07 0.14 0.00 1.24 0.00 0.00 39.78 41.48 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 0.76 8.20 0.00 0.34 1.70 103.07 114.08 2k3m h GLY 76 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 2k3m h GLY 76 CO -0.00 0.00 -0.25 0.16 0.00 0.00 0.00 176.54 176.45 2k3m h ILE 77 N 0.00 1.37 -1.34 2.60 3.07 -0.90 -3.09 117.51 119.22 2k3m h ILE 77 Ca 0.00 -1.51 0.41 0.00 1.55 0.00 0.00 64.86 65.32 2k3m h ILE 77 Cb 1.76 2.01 -0.08 0.00 -0.27 0.00 0.00 36.82 40.24 2k3m h ILE 77 CO 0.00 0.44 0.93 1.33 -1.05 0.00 0.00 178.15 179.80 2k3m n VAL 78 N -4.45 -0.08 -0.01 0.16 0.24 0.58 0.46 118.33 115.24 2k3m n VAL 78 Ca -0.07 1.24 -0.03 0.00 -2.04 0.00 0.00 64.34 63.44 2k3m n VAL 78 Cb 0.44 -2.05 -0.12 0.00 -1.47 0.00 0.00 33.84 30.65 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2k3m n ILE 79 N -3.77 1.21 0.24 1.34 -6.64 -1.19 -3.94 119.36 106.61 2k3m n ILE 79 Ca 0.33 -0.73 0.12 0.00 -1.77 0.00 0.00 62.75 60.70 2k3m n ILE 79 Cb 1.41 -0.68 0.08 0.00 -1.44 0.00 0.00 39.64 39.01 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k3m h ALA 80 N 1.30 0.64 -0.56 -1.28 0.00 1.03 -2.98 119.26 117.40 2k3m h ALA 80 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k3m h ALA 80 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2k3m h ALA 80 CO 0.05 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.69 2k3m n GLU 81 N -2.64 0.00 0.21 0.00 -0.58 0.59 -4.14 120.64 114.07 2k3m n GLU 81 Ca 0.02 0.36 0.15 0.00 -0.42 0.00 0.00 57.16 57.26 2k3m n GLU 81 Cb 0.52 -0.85 0.67 0.00 -0.57 0.00 0.00 31.44 31.21 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 0.00 1.62 3.32 -1.77 -3.34 116.42 116.25 2k3m h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k3m h ASP 82 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2k3m h ASP 82 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2k3m n ALA 83 N -1.90 0.00 -0.14 3.45 0.00 -1.13 -1.70 120.51 119.09 2k3m n ALA 83 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2k3m n ALA 83 Cb 0.18 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.68 2k3m n ALA 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 84 N -3.04 -0.16 0.06 0.00 -0.00 -1.26 0.24 117.00 112.84 2k3m n LEU 84 Ca 0.00 0.65 -0.20 0.00 -0.00 0.00 0.00 56.01 56.47 2k3m n LEU 84 Cb 0.00 -0.19 -0.14 0.00 -0.00 0.00 0.00 43.42 43.09 2k3m n LEU 84 CO 0.00 -0.62 -0.48 0.16 -0.00 0.00 0.00 177.39 176.45 2k3m h ILE 85 N 0.00 0.99 -0.44 1.96 3.07 -1.70 -3.37 117.51 118.03 2k3m h ILE 85 Ca 0.17 -2.62 0.08 0.00 1.55 0.00 0.00 64.86 64.04 2k3m h ILE 85 Cb 0.27 2.73 -0.10 0.00 -0.27 0.00 0.00 36.82 39.45 2k3m h ILE 85 CO -0.39 0.83 -0.35 0.00 -1.05 0.00 0.00 178.15 177.19 2k3m h ALA 86 N 0.31 -0.20 0.00 0.16 0.00 0.29 0.38 119.26 120.19 2k3m h ALA 86 Ca -0.31 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k3m h ALA 86 Cb 2.06 0.76 0.00 0.00 0.00 0.00 0.00 17.79 20.61 2k3m h ALA 86 CO 0.16 -0.74 0.67 -1.91 0.00 0.00 0.00 179.25 177.43 2k3m n GLU 87 N -5.42 0.01 0.00 0.00 2.13 0.04 0.10 120.64 117.50 2k3m n GLU 87 Ca 0.01 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.25 2k3m n GLU 87 Cb 0.34 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 29.98 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 -1.15 0.92 -0.43 4.31 0.00 0.13 -3.35 120.51 120.93 2k3m n ALA 88 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.77 2k3m n ALA 88 Cb 0.67 -0.74 0.52 0.00 0.00 0.00 0.00 19.45 19.90 2k3m n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2k3m n VAL 89 N -1.13 -0.04 0.00 0.00 0.24 0.11 -1.91 118.33 115.60 2k3m n VAL 89 Ca 0.00 1.04 0.00 0.00 -2.04 0.00 0.00 64.34 63.34 2k3m n VAL 89 Cb 0.07 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 30.72 2k3m n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k3m n GLY 90 N -1.54 -3.09 0.43 7.63 0.00 -1.21 -1.52 105.19 105.88 2k3m n GLY 90 Ca 0.29 0.37 0.25 0.00 0.00 0.00 0.00 46.02 46.93 2k3m n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3m h PRO 91 N 0.00 0.00 0.00 1.61 0.13 -1.74 0.11 132.00 132.11 2k3m h PRO 91 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k3m h PRO 91 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k3m h PRO 91 CO 0.00 0.00 0.28 0.45 -0.23 0.00 0.00 178.00 178.50 2k3m h HIS 92 N 0.00 0.00 -0.15 1.56 3.86 -1.16 1.02 115.15 120.29 2k3m h HIS 92 Ca 0.34 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.58 2k3m h HIS 92 Cb 1.44 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.88 2k3m h HIS 92 CO 0.00 0.00 -0.04 1.25 0.86 0.00 0.00 177.93 180.00 2k3m h LEU 93 N 0.00 -0.14 -0.45 2.43 5.85 -0.64 2.10 115.31 124.46 2k3m h LEU 93 Ca 0.00 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.86 2k3m h LEU 93 Cb 0.57 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 2k3m h LEU 93 CO 0.00 -0.05 -0.21 0.00 -0.34 0.00 0.00 178.44 177.84 2k3m h ALA 94 N 1.15 0.11 -0.20 1.25 0.00 0.90 2.54 119.26 125.02 2k3m h ALA 94 Ca 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2k3m h ALA 94 Cb 0.11 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2k3m h ALA 94 CO -0.15 -0.56 0.08 0.00 0.00 0.00 0.00 179.25 178.61 2k3m h ARG 95 N -0.12 0.28 -0.09 0.00 2.47 -1.06 -2.17 114.38 113.69 2k3m h ARG 95 Ca 0.22 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.94 2k3m h ARG 95 Cb 0.45 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.68 2k3m h ARG 95 CO -0.53 0.23 -0.12 0.00 0.56 0.00 0.00 179.97 180.12 2k3m h ALA 96 N 1.81 -0.06 -0.87 0.04 0.00 1.92 0.17 119.26 122.28 2k3m h ALA 96 Ca 0.07 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.27 2k3m h ALA 96 Cb 0.06 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2k3m h ALA 96 CO -0.01 -0.58 0.90 -0.11 0.00 0.00 0.00 179.25 179.45 2k3m n LEU 97 N -5.26 0.00 -0.08 0.00 -0.00 0.80 0.58 117.00 113.04 2k3m n LEU 97 Ca -0.04 0.57 -0.15 0.00 -0.00 0.00 0.00 56.01 56.40 2k3m n LEU 97 Cb 0.18 -0.22 -0.09 0.00 -0.00 0.00 0.00 43.42 43.29 2k3m n LEU 97 CO 0.24 -0.57 -0.21 1.23 -0.00 0.00 0.00 177.39 178.08 2k3m h GLY 98 N 0.00 0.00 0.24 -3.96 0.00 -0.80 -3.28 103.07 95.28 2k3m h GLY 98 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2k3m h GLY 98 CO -0.00 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.36 2k3m n GLN 99 N -4.54 0.85 -0.04 4.80 7.27 1.12 -3.34 117.38 123.49 2k3m n GLN 99 Ca -0.19 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.77 2k3m n GLN 99 Cb 0.49 -1.12 -0.05 0.00 2.41 0.00 0.00 30.24 31.97 2k3m n GLN 99 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 2k3m h ILE 100 N 0.00 1.13 0.37 1.69 6.09 1.60 0.16 117.51 128.54 2k3m h ILE 100 Ca 0.00 -0.39 -0.00 0.00 -1.37 0.00 0.00 64.86 63.10 2k3m h ILE 100 Cb 0.00 1.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.32 2k3m h ILE 100 CO 0.00 0.13 -0.52 0.58 -3.07 0.00 0.00 178.15 175.27 2k3m h VAL 101 N 0.16 0.01 -0.80 2.19 2.07 -1.78 2.41 116.25 120.50 2k3m h VAL 101 Ca 0.06 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.79 2k3m h VAL 101 Cb 0.13 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 2k3m h VAL 101 CO -0.01 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.14 2k3m h ARG 103 N 0.14 0.10 -0.82 0.00 2.43 0.72 -1.55 114.38 115.41 2k3m h ARG 103 Ca 0.39 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 2k3m h ARG 103 Cb 1.33 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.90 2k3m h ARG 103 CO -0.06 1.08 0.11 0.98 -1.51 0.00 0.00 179.97 180.57 2k3m n TYR 104 N -4.38 1.43 0.00 2.20 9.36 0.80 -4.69 117.16 121.88 2k3m n TYR 104 Ca -0.16 -0.68 0.00 0.00 3.32 0.00 0.00 57.90 60.38 2k3m n TYR 104 Cb 0.65 -0.44 0.00 0.00 -0.63 0.00 0.00 39.34 38.91 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 0.14 -1.24 2.43 2.98 0.00 0.74 -4.86 105.19 105.39 2k3m n GLY 105 Ca 0.22 0.51 -0.02 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.40 -2.36 0.11 4.61 0.00 -0.58 -4.94 120.51 114.95 2k3m n ALA 106 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 53.44 54.45 2k3m n ALA 106 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.11 2k3m n ALA 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3m n THR 107 N 1.87 0.34 0.04 0.00 -1.04 -1.26 -4.87 114.28 109.35 2k3m n THR 107 Ca -0.13 0.11 -0.04 0.00 -2.04 0.00 0.00 64.05 61.95 2k3m n THR 107 Cb 0.19 -0.78 0.02 0.00 -1.82 0.00 0.00 70.33 67.94 2k3m n THR 107 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2k3m n VAL 108 N -3.44 1.77 -0.03 12.58 3.14 -1.26 -3.75 118.33 127.34 2k3m n VAL 108 Ca 0.00 -0.56 0.04 0.00 -2.96 0.00 0.00 64.34 60.86 2k3m n VAL 108 Cb 0.00 -1.19 -0.13 0.00 -1.06 0.00 0.00 33.84 31.47 2k3m n VAL 108 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k3m n ILE 109 N 0.71 0.30 0.43 1.55 -5.35 -1.26 -4.55 119.36 111.20 2k3m n ILE 109 Ca 0.09 -0.46 0.13 0.00 -0.27 0.00 0.00 62.75 62.23 2k3m n ILE 109 Cb 0.60 -0.08 0.48 0.00 -1.74 0.00 0.00 39.64 38.89 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2k3m h PRO 110 N 0.00 0.00 0.07 6.28 0.13 -1.96 -3.07 132.00 133.45 2k3m h PRO 110 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2k3m h PRO 110 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2k3m h PRO 110 CO 0.01 0.00 -0.04 -0.97 -0.23 0.00 0.00 178.00 176.77 2k3m h ASN 111 N 0.00 -0.09 0.31 1.44 -1.24 -1.87 -2.59 115.58 111.56 2k3m h ASN 111 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 2k3m h ASN 111 Cb 0.51 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.58 2k3m h ASN 111 CO 0.00 -0.06 -0.24 -0.29 -1.29 0.00 0.00 177.43 175.55 2k3m h ILE 112 N -0.11 1.04 0.33 2.57 -0.00 -1.89 -3.00 117.51 116.45 2k3m h ILE 112 Ca -0.01 -0.86 -0.01 0.00 -0.00 0.00 0.00 64.86 63.98 2k3m h ILE 112 Cb 0.08 1.48 -0.01 0.00 -0.00 0.00 0.00 36.82 38.36 2k3m h ILE 112 CO 0.02 0.24 -0.32 -1.13 -0.00 0.00 0.00 178.15 176.96 2k3m h ASN 113 N 0.00 -0.86 0.13 2.19 -1.24 -1.51 0.86 115.58 115.14 2k3m h ASN 113 Ca -0.00 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 2k3m h ASN 113 Cb 0.46 0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.79 2k3m h ASN 113 CO 0.03 -0.42 -0.02 0.00 -1.29 0.00 0.00 177.43 175.73 2k3m h ALA 114 N -1.24 1.27 0.03 1.57 0.00 -1.47 -0.72 119.26 118.70 2k3m h ALA 114 Ca -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 114 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k3m h ALA 114 CO -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 2k3m h ALA 115 N 1.98 -0.05 -0.03 0.00 0.00 -1.15 -3.30 119.26 116.71 2k3m h ALA 115 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k3m h ALA 115 Cb 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k3m h ALA 115 CO 0.00 -0.04 -0.04 0.82 0.00 0.00 0.00 179.25 179.99 2k3m h ILE 116 N -1.01 1.40 -0.25 0.00 1.08 0.78 -3.13 117.51 116.38 2k3m h ILE 116 Ca -0.00 -1.25 0.03 0.00 -0.39 0.00 0.00 64.86 63.25 2k3m h ILE 116 Cb 0.03 2.17 -0.06 0.00 -3.07 0.00 0.00 36.82 35.89 2k3m h ILE 116 CO 0.01 0.33 -0.47 -0.33 -0.69 0.00 0.00 178.15 177.00 2k3m h GLU 117 N -0.40 -0.39 0.00 2.37 3.07 -1.26 2.70 114.58 120.67 2k3m h GLU 117 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2k3m h GLU 117 Cb 0.56 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 2k3m h GLU 117 CO 0.01 -0.26 0.33 -0.24 -1.40 0.00 0.00 179.01 177.45 2k3m h VAL 118 N -0.40 0.00 0.08 3.13 3.04 -1.66 -0.18 116.25 120.25 2k3m h VAL 118 Ca 0.05 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.73 2k3m h VAL 118 Cb 0.53 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 2k3m h VAL 118 CO -0.45 0.00 -0.04 0.25 -1.01 0.00 0.00 177.57 176.32 2k3m h LEU 119 N 0.00 -0.09 0.00 3.16 7.12 0.48 -3.42 115.31 122.55 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 0.66 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.81 2k3m h LEU 119 CO 0.00 0.38 0.00 0.61 -0.13 0.00 0.00 178.44 179.30 2k3m n GLY 120 N 1.51 -0.90 0.00 3.75 0.00 -0.15 -4.94 105.19 104.46 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 -0.35 0.00 0.00 2.61 -1.04 -0.78 -5.03 114.28 109.69 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 2.57 2.00 3.41 0.00 -1.08 -4.84 105.19 107.25 2k3m n GLY 122 Ca 0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.82 2.61 -1.04 -1.26 -4.84 114.28 105.93 2k3m n THR 123 Ca 0.00 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.05 61.75 2k3m n THR 123 Cb 0.00 -0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 68.26 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 2.64 -0.14 -0.03 8.00 1.47 -1.26 -5.13 116.67 122.23 2k3m s ASP 124 Ca 0.76 0.17 -0.14 0.00 1.18 0.00 0.00 52.55 54.52 2k3m s ASP 124 Cb -0.60 0.35 0.02 0.00 -0.34 0.00 0.00 42.92 42.35 2k3m s ASP 124 CO 0.30 -0.22 0.31 -0.72 0.68 0.00 0.00 175.17 175.52 2k3m s TYR 125 N -0.57 -0.20 -0.01 2.11 1.13 -1.26 -5.17 117.35 113.37 2k3m s TYR 125 Ca -0.07 0.34 -0.10 0.00 -1.41 0.00 0.00 57.07 55.83 2k3m s TYR 125 Cb -0.04 0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.93 2k3m s TYR 125 CO 0.01 -0.37 0.21 1.03 -2.51 0.00 0.00 175.55 173.93 2k3m s ARG 126 N -1.15 0.55 0.00 -3.49 1.81 -1.26 -5.25 118.95 110.16 2k3m s ARG 126 Ca -0.12 -0.28 0.00 0.00 -1.72 0.00 0.00 55.73 53.61 2k3m s ARG 126 Cb -0.05 0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.69 2k3m s ARG 126 CO 0.04 -0.14 0.00 1.97 -0.68 0.00 0.00 175.30 176.49