#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 3.31 0.00 7.83 3.41 -1.26 -4.87 113.62 122.04 2k3m n SER 2 Ca 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 2k3m n SER 2 Cb 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2k3m n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k3m n ASP 3 N 0.99 0.00 -3.76 4.04 2.03 -1.26 -5.18 116.55 113.40 2k3m n ASP 3 Ca 0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 2k3m n ASP 3 Cb 0.50 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.81 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2k3m s PHE 4 N 0.00 -0.27 -0.05 -0.67 5.36 -1.26 -5.17 117.98 115.92 2k3m s PHE 4 Ca 0.00 0.57 -0.20 0.00 -0.96 0.00 0.00 56.93 56.33 2k3m s PHE 4 Cb 0.00 0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.83 2k3m s PHE 4 CO 0.00 -0.28 0.46 0.16 -1.46 0.00 0.00 175.22 174.10 2k3m s ASP 5 N -0.58 -0.39 1.16 6.13 1.47 -1.26 -5.06 116.67 118.15 2k3m s ASP 5 Ca -0.07 0.41 -0.18 0.00 1.18 0.00 0.00 52.55 53.89 2k3m s ASP 5 Cb -0.04 0.48 0.27 0.00 -0.34 0.00 0.00 42.92 43.29 2k3m s ASP 5 CO 0.02 -0.46 1.13 -0.89 0.68 0.00 0.00 175.17 175.65 2k3m s THR 6 N -1.07 1.67 0.08 2.11 2.01 -1.26 -4.40 115.64 114.78 2k3m s THR 6 Ca -0.11 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 2k3m s THR 6 Cb -0.03 -2.54 -0.18 0.00 0.01 0.00 0.00 72.50 69.76 2k3m s THR 6 CO 0.06 0.00 1.65 -0.08 -0.69 0.00 0.00 174.62 175.55 2k3m h GLU 7 N -2.43 -0.71 0.00 4.92 4.22 -2.02 3.74 114.58 122.31 2k3m h GLU 7 Ca -0.46 0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.06 2k3m h GLU 7 Cb 1.29 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.65 2k3m h GLU 7 CO 0.37 -0.47 -0.41 0.00 -2.18 0.00 0.00 179.01 176.32 2k3m h ARG 8 N -0.73 -0.54 -0.13 1.92 3.08 -1.96 2.51 114.38 118.52 2k3m h ARG 8 Ca -0.07 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2k3m h ARG 8 Cb 0.57 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 2k3m h ARG 8 CO 0.10 -0.36 -0.00 0.28 -1.07 0.00 0.00 179.97 178.92 2k3m h VAL 9 N -0.57 1.25 0.85 2.04 2.07 -1.89 0.48 116.25 120.48 2k3m h VAL 9 Ca 0.05 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2k3m h VAL 9 Cb 0.64 1.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2k3m h VAL 9 CO -0.31 0.24 -0.41 -1.28 0.02 0.00 0.00 177.57 175.83 2k3m h SER 10 N -0.04 -0.97 0.37 0.57 0.87 0.76 -0.12 113.55 114.99 2k3m h SER 10 Ca 0.04 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2k3m h SER 10 Cb 0.37 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2k3m h SER 10 CO 0.01 -0.63 -0.18 -0.09 -0.53 0.00 0.00 176.83 175.41 2k3m h ARG 11 N -1.26 -0.47 -0.33 2.24 9.65 0.43 1.84 114.38 126.47 2k3m h ARG 11 Ca -0.12 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.87 2k3m h ARG 11 Cb 0.88 0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 29.49 2k3m h ARG 11 CO 0.19 -0.17 -0.21 0.00 2.80 0.00 0.00 179.97 182.58 2k3m h ALA 12 N -0.31 0.01 -0.09 2.80 0.00 0.00 2.92 119.26 124.59 2k3m h ALA 12 Ca -0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2k3m h ALA 12 Cb 0.52 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2k3m h ALA 12 CO 0.08 -0.60 0.04 -0.39 0.00 0.00 0.00 179.25 178.38 2k3m h VAL 13 N -0.17 1.14 0.59 0.00 -1.51 -1.00 1.10 116.25 116.41 2k3m h VAL 13 Ca 0.17 -0.43 -0.02 0.00 -1.23 0.00 0.00 66.70 65.19 2k3m h VAL 13 Cb 0.43 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 2k3m h VAL 13 CO -0.43 0.12 -0.41 0.00 -1.23 0.00 0.00 177.57 175.63 2k3m h ALA 14 N 0.88 -1.18 0.04 5.19 0.00 0.49 3.21 119.26 127.89 2k3m h ALA 14 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 14 Cb 0.17 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2k3m h ALA 14 CO -0.00 -1.16 -0.34 0.00 0.00 0.00 0.00 179.25 177.75 2k3m h ALA 15 N -1.24 -0.53 0.40 0.00 0.00 0.52 1.86 119.26 120.26 2k3m h ALA 15 Ca -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 15 Cb 0.78 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2k3m h ALA 15 CO 0.05 -0.87 -0.19 0.00 0.00 0.00 0.00 179.25 178.24 2k3m h ALA 16 N 0.15 -0.53 0.18 0.00 0.00 0.13 2.65 119.26 121.84 2k3m h ALA 16 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 16 Cb 0.59 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2k3m h ALA 16 CO -0.25 -0.73 -0.23 1.25 0.00 0.00 0.00 179.25 179.29 2k3m h LEU 17 N -0.68 -0.62 0.35 0.00 5.85 0.62 1.83 115.31 122.67 2k3m h LEU 17 Ca -0.05 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2k3m h LEU 17 Cb 0.49 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2k3m h LEU 17 CO 0.09 -0.32 -0.17 -0.37 -0.34 0.00 0.00 178.44 177.33 2k3m h VAL 18 N -0.45 0.54 -0.77 1.05 -1.51 0.29 -3.36 116.25 112.04 2k3m h VAL 18 Ca 0.01 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 2k3m h VAL 18 Cb 0.45 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2k3m h VAL 18 CO -0.09 0.11 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 2k3m n GLY 19 N -0.09 -2.96 0.13 5.19 0.00 0.89 -4.86 105.19 103.49 2k3m n GLY 19 Ca -0.09 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.62 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 0.67 1.61 0.14 -1.75 -3.26 132.00 129.41 2k3m h PRO 20 Ca 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 66.00 66.11 2k3m h PRO 20 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.13 2k3m h PRO 20 CO 0.00 0.53 -0.44 0.78 0.14 0.00 0.00 178.00 179.01 2k3m h GLY 21 N 3.47 -1.18 0.91 1.56 0.00 -1.80 3.14 103.07 109.17 2k3m h GLY 21 Ca -0.02 0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 2k3m h GLY 21 CO 0.07 -0.40 -0.19 -1.33 0.00 0.00 0.00 176.54 174.69 2k3m h GLY 22 N -1.06 -0.56 0.71 4.60 0.00 0.26 -0.72 103.07 106.30 2k3m h GLY 22 Ca -0.08 0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.55 2k3m h GLY 22 CO 0.07 -0.20 0.60 -2.08 0.00 0.00 0.00 176.54 174.92 2k3m h VAL 23 N -0.64 0.99 0.90 4.60 2.07 -1.33 -0.34 116.25 122.51 2k3m h VAL 23 Ca -0.06 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2k3m h VAL 23 Cb 0.47 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2k3m h VAL 23 CO 0.09 0.18 -0.43 0.00 0.02 0.00 0.00 177.57 177.42 2k3m h ALA 24 N 1.53 -1.31 -0.23 1.67 0.00 0.64 -1.69 119.26 119.87 2k3m h ALA 24 Ca 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k3m h ALA 24 Cb 0.36 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k3m h ALA 24 CO -0.18 -1.22 0.07 -0.07 0.00 0.00 0.00 179.25 177.84 2k3m h LEU 25 N -1.22 0.34 0.78 0.00 3.38 -0.88 -0.25 115.31 117.46 2k3m h LEU 25 Ca -0.12 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2k3m h LEU 25 Cb 0.93 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.59 2k3m h LEU 25 CO 0.20 0.46 -0.37 -0.37 0.09 0.00 0.00 178.44 178.45 2k3m h VAL 26 N 0.21 0.18 -0.63 1.22 -1.51 -1.14 0.17 116.25 114.75 2k3m h VAL 26 Ca 0.08 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 65.41 2k3m h VAL 26 Cb 0.24 0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 29.58 2k3m h VAL 26 CO -0.00 0.01 0.23 1.62 -1.23 0.00 0.00 177.57 178.19 2k3m h VAL 27 N -1.12 1.23 0.30 7.19 3.04 -1.37 0.74 116.25 126.26 2k3m h VAL 27 Ca -0.11 -0.75 -0.01 0.00 -1.01 0.00 0.00 66.70 64.82 2k3m h VAL 27 Cb 0.81 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2k3m h VAL 27 CO 0.18 0.29 -0.14 0.50 -1.01 0.00 0.00 177.57 177.39 2k3m h LYS 28 N 0.91 -0.39 -0.12 4.17 3.11 -1.00 0.24 116.57 123.51 2k3m h LYS 28 Ca 0.21 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.07 2k3m h LYS 28 Cb 0.22 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 2k3m h LYS 28 CO -0.01 -0.06 0.04 0.28 -2.81 0.00 0.00 179.45 176.89 2k3m h VAL 29 N -0.78 1.16 0.71 2.00 2.07 -0.57 0.65 116.25 121.50 2k3m h VAL 29 Ca -0.04 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 2k3m h VAL 29 Cb 0.51 1.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2k3m h VAL 29 CO 0.07 0.15 -0.34 0.00 0.02 0.00 0.00 177.57 177.46 2k3m h ALA 31 N -1.34 -0.20 -1.73 0.00 0.00 -0.56 -3.49 119.26 111.94 2k3m h ALA 31 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k3m h ALA 31 Cb 0.74 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k3m h ALA 31 CO 0.16 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.31 2k3m n GLY 32 N -0.62 0.06 0.62 0.00 0.00 0.23 -4.85 105.19 100.63 2k3m n GLY 32 Ca -0.09 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.46 -3.06 0.08 0.99 4.77 -1.24 -4.78 117.00 113.30 2k3m n LEU 33 Ca 0.00 0.81 0.11 0.00 -0.03 0.00 0.00 56.01 56.89 2k3m n LEU 33 Cb 0.17 -0.60 0.44 0.00 -2.33 0.00 0.00 43.42 41.10 2k3m n LEU 33 CO 0.00 -0.26 0.83 -0.81 -1.33 0.00 0.00 177.39 175.82 2k3m n PRO 34 N 0.03 0.14 0.51 3.23 -0.04 -1.26 -3.85 135.00 133.76 2k3m n PRO 34 Ca 0.00 0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.57 2k3m n PRO 34 Cb 0.00 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.63 2k3m n PRO 34 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2k3m h GLY 35 N 2.88 -1.36 0.00 0.55 0.00 -1.88 -3.43 103.07 99.83 2k3m h GLY 35 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2k3m h GLY 35 CO 0.00 -0.49 0.00 -0.62 0.00 0.00 0.00 176.54 175.43 2k3m n VAL 36 N -5.65 0.00 -1.73 4.60 0.31 -1.25 -4.96 118.33 109.66 2k3m n VAL 36 Ca -0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.15 2k3m n VAL 36 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2k3m n VAL 36 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2k3m n ILE 37 N 0.00 -3.34 -3.97 2.52 2.08 -1.26 -5.03 119.36 110.35 2k3m n ILE 37 Ca 0.00 0.12 -0.20 0.00 0.56 0.00 0.00 62.75 63.23 2k3m n ILE 37 Cb 0.00 -4.47 -0.17 0.00 -0.75 0.00 0.00 39.64 34.26 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.38 0.56 0.00 0.00 176.55 175.73 2k3m s HIS 38 N -1.55 0.56 0.07 1.39 -3.43 -1.26 -5.11 115.29 105.96 2k3m s HIS 38 Ca 0.03 -0.11 0.02 0.00 -0.80 0.00 0.00 55.06 54.21 2k3m s HIS 38 Cb -0.01 -0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 30.50 2k3m s HIS 38 CO 0.13 -0.20 0.10 0.95 -2.00 0.00 0.00 174.74 173.71 2k3m s THR 39 N 1.25 4.68 0.15 -5.38 -4.23 -1.26 -5.04 115.64 105.81 2k3m s THR 39 Ca -0.06 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 2k3m s THR 39 Cb -0.13 -3.25 -0.16 0.00 1.34 0.00 0.00 72.50 70.29 2k3m s THR 39 CO -0.02 0.14 1.35 1.55 -0.54 0.00 0.00 174.62 177.10 2k3m h PRO 40 N 3.32 0.31 -4.91 3.99 0.13 -2.08 -3.45 132.00 129.31 2k3m h PRO 40 Ca -0.47 -0.33 -0.50 0.00 -0.87 0.00 0.00 66.00 63.83 2k3m h PRO 40 Cb 1.16 0.09 -0.31 0.00 0.13 0.00 0.00 31.00 32.07 2k3m h PRO 40 CO 0.67 1.02 -0.81 0.00 -0.23 0.00 0.00 178.00 178.65 2k3m s ALA 41 N -3.26 1.23 0.07 -0.56 0.00 -1.26 -5.14 121.76 112.83 2k3m s ALA 41 Ca -0.04 -0.51 -0.27 0.00 0.00 0.00 0.00 51.96 51.13 2k3m s ALA 41 Cb 0.10 -0.44 0.09 0.00 0.00 0.00 0.00 23.12 22.86 2k3m s ALA 41 CO 0.85 0.20 1.04 -0.98 0.00 0.00 0.00 175.76 176.87 2k3m s ARG 42 N 0.20 0.89 0.00 0.00 1.70 -1.26 -4.97 118.95 115.51 2k3m s ARG 42 Ca -0.05 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 2k3m s ARG 42 Cb -0.11 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 2k3m s ARG 42 CO 0.02 -0.41 0.21 -2.13 -1.08 0.00 0.00 175.30 171.91 2k3m n ARG 43 N -0.42 0.37 0.00 3.89 0.00 -1.26 -4.70 116.66 114.54 2k3m n ARG 43 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2k3m n ARG 43 Cb 0.61 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.91 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 0.26 2.69 3.27 5.14 0.00 -1.26 -4.90 105.19 110.39 2k3m n GLY 44 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.52 -0.24 0.00 1.61 0.08 -1.26 -5.06 117.98 112.58 2k3m s PHE 45 Ca 0.00 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.45 2k3m s PHE 45 Cb 0.00 0.13 0.00 0.00 -0.57 0.00 0.00 43.02 42.58 2k3m s PHE 45 CO 0.00 -0.39 0.00 1.19 -0.10 0.00 0.00 175.22 175.92 2k3m n PHE 46 N 1.38 0.00 0.00 0.36 3.01 -1.26 -5.07 117.46 115.87 2k3m n PHE 46 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2k3m n PHE 46 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 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 0.00 0.00 -3.57 -1.08 1.85 -1.26 -5.06 116.66 107.53 2k3m n ARG 47 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.60 2k3m n ARG 47 Cb 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.45 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 -3.35 4.68 -0.50 0.00 2.20 -1.26 -5.00 114.94 111.72 2k3m s ASN 49 Ca 0.37 -0.21 -0.05 0.00 -0.94 0.00 0.00 52.86 52.03 2k3m s ASN 49 Cb -0.12 -1.05 -0.11 0.00 -2.00 0.00 0.00 41.25 37.97 2k3m s ASN 49 CO 0.84 0.23 2.28 -0.81 -2.94 0.00 0.00 177.10 176.69 2k3m n PRO 50 N 1.07 1.72 -0.45 3.55 -0.04 -1.26 -4.40 135.00 135.19 2k3m n PRO 50 Ca -0.14 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 2k3m n PRO 50 Cb 0.52 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 2k3m n PRO 50 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k3m n GLU 51 N 3.44 0.00 -2.88 0.54 0.28 -1.26 -4.96 120.64 115.80 2k3m n GLU 51 Ca 0.37 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 57.06 2k3m n GLU 51 Cb 0.34 -3.52 -0.04 0.00 1.43 0.00 0.00 31.44 29.65 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2k3m s ARG 52 N -0.41 3.82 0.26 3.44 0.52 -1.26 -5.03 118.95 120.28 2k3m s ARG 52 Ca 0.00 0.52 -0.30 0.00 -0.52 0.00 0.00 55.73 55.43 2k3m s ARG 52 Cb 0.00 -2.39 -0.10 0.00 0.52 0.00 0.00 34.95 32.99 2k3m s ARG 52 CO 0.00 -0.02 1.32 -1.50 0.02 0.00 0.00 175.30 175.12 2k3m s ILE 53 N -2.32 2.95 -1.06 1.52 1.10 -1.26 -4.83 121.20 117.30 2k3m s ILE 53 Ca 0.52 0.86 -0.27 0.00 -0.51 0.00 0.00 60.65 61.25 2k3m s ILE 53 Cb -0.10 -3.55 -0.23 0.00 0.15 0.00 0.00 42.46 38.73 2k3m s ILE 53 CO 0.29 0.16 2.12 0.00 -2.11 0.00 0.00 174.94 175.41 2k3m n GLN 54 N 1.79 0.11 -3.78 3.50 6.02 -1.26 -4.78 117.38 118.98 2k3m n GLN 54 Ca 0.03 -1.65 -0.10 0.00 -0.01 0.00 0.00 57.00 55.27 2k3m n GLN 54 Cb 0.42 -3.91 -0.07 0.00 1.02 0.00 0.00 30.24 27.70 2k3m n GLN 54 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2k3m s ILE 55 N 17.25 0.11 0.00 5.09 2.07 -1.26 -4.92 121.20 139.54 2k3m s ILE 55 Ca 0.82 -0.88 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2k3m s ILE 55 Cb -0.05 -1.14 0.00 0.00 0.13 0.00 0.00 42.46 41.40 2k3m s ILE 55 CO 0.18 -0.48 0.00 0.61 -1.91 0.00 0.00 174.94 173.34 2k3m n GLY 56 N 0.18 0.78 3.55 1.50 0.00 -1.26 -5.04 105.19 104.89 2k3m n GLY 56 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.79 5.88 0.74 1.61 -4.77 -1.26 -4.96 116.67 112.12 2k3m s ASP 57 Ca 0.00 -0.35 -0.05 0.00 -3.30 0.00 0.00 52.55 48.85 2k3m s ASP 57 Cb 0.00 -2.55 0.11 0.00 -1.09 0.00 0.00 42.92 39.39 2k3m s ASP 57 CO 0.00 -2.01 1.04 0.26 0.70 0.00 0.00 175.17 175.15 2k3m s TRP 58 N 6.88 2.14 -0.09 2.11 0.52 -1.26 -5.07 118.94 124.16 2k3m s TRP 58 Ca 0.48 0.08 -0.03 0.00 0.02 0.00 0.00 56.10 56.65 2k3m s TRP 58 Cb -0.08 -3.24 -0.01 0.00 -1.15 0.00 0.00 33.47 28.98 2k3m s TRP 58 CO 0.13 -1.70 -0.06 0.00 0.02 0.00 0.00 176.95 175.34 2k3m h ARG 59 N -0.69 0.00 0.00 4.98 3.08 -2.02 -3.38 114.38 116.35 2k3m h ARG 59 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2k3m h ARG 59 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2k3m h ARG 59 CO 0.47 0.00 -0.80 2.48 -1.07 0.00 0.00 179.97 181.05 2k3m n TYR 60 N -4.18 0.49 0.62 3.04 4.11 -1.26 -3.95 117.16 116.03 2k3m n TYR 60 Ca -0.03 0.14 0.13 0.00 -0.00 0.00 0.00 57.90 58.15 2k3m n TYR 60 Cb 0.09 -0.61 0.43 0.00 -0.00 0.00 0.00 39.34 39.25 2k3m n TYR 60 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 2k3m n GLU 61 N -2.11 0.24 -0.18 -3.48 2.13 -1.26 -4.04 120.64 111.94 2k3m n GLU 61 Ca 0.02 0.23 -0.07 0.00 0.66 0.00 0.00 57.16 58.00 2k3m n GLU 61 Cb 0.45 -1.79 -0.02 0.00 0.27 0.00 0.00 31.44 30.35 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 0.15 0.14 6.31 -1.51 -1.75 1.66 116.25 121.26 2k3m h VAL 62 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2k3m h VAL 62 Cb 0.68 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 2k3m h VAL 62 CO 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 177.57 176.27 2k3m h ALA 63 N 0.78 -0.19 -0.16 5.19 0.00 -1.88 3.26 119.26 126.26 2k3m h ALA 63 Ca 0.19 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2k3m h ALA 63 Cb 0.56 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2k3m h ALA 63 CO -0.64 -0.42 -0.38 0.45 0.00 0.00 0.00 179.25 178.26 2k3m h HIS 64 N -0.56 -1.08 -0.06 0.00 -0.00 -1.50 0.28 115.15 112.23 2k3m h HIS 64 Ca -0.02 0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2k3m h HIS 64 Cb 0.43 0.50 -0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2k3m h HIS 64 CO 0.04 -0.44 -0.06 0.22 -0.00 0.00 0.00 177.93 177.69 2k3m h ASP 65 N -0.44 0.16 0.00 2.45 3.58 0.24 -2.67 116.42 119.74 2k3m h ASP 65 Ca 0.09 -0.49 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2k3m h ASP 65 Cb 0.60 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2k3m h ASP 65 CO -0.40 0.61 0.00 0.61 -2.88 0.00 0.00 179.24 177.18 2k3m n GLY 66 N 0.22 0.81 0.00 -0.78 0.00 1.08 -3.01 105.19 103.51 2k3m n GLY 66 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 0.64 0.50 -0.46 1.61 5.12 0.94 -3.90 116.66 121.11 2k3m n ARG 67 Ca 0.00 0.02 0.34 0.00 -1.93 0.00 0.00 57.85 56.28 2k3m n ARG 67 Cb 0.19 -1.50 0.53 0.00 -1.16 0.00 0.00 32.46 30.52 2k3m n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2k3m n LEU 68 N -1.04 0.00 0.09 0.55 0.00 -1.17 0.56 117.00 115.99 2k3m n LEU 68 Ca 0.12 0.64 -0.04 0.00 0.00 0.00 0.00 56.01 56.74 2k3m n LEU 68 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 43.42 43.15 2k3m n LEU 68 CO 0.10 -0.64 0.30 0.25 0.00 0.00 0.00 177.39 177.40 2k3m h LEU 69 N 0.00 -0.21 0.00 -1.96 5.85 -1.91 -3.00 115.31 114.07 2k3m h LEU 69 Ca 0.61 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.33 2k3m h LEU 69 Cb 2.46 0.05 0.00 0.00 0.37 0.00 0.00 40.66 43.54 2k3m h LEU 69 CO -0.01 -0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.01 2k3m n ALA 70 N -2.22 0.00 0.00 1.25 0.00 0.19 -3.89 120.51 115.84 2k3m n ALA 70 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k3m n ALA 70 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.73 0.91 -0.09 0.00 0.00 -0.81 -4.23 120.51 115.56 2k3m n ALA 71 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2k3m n ALA 71 Cb 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.40 0.05 -0.03 0.00 -0.00 -1.07 0.28 115.22 114.04 2k3m n HIS 72 Ca 0.00 0.30 -0.14 0.00 -0.00 0.00 0.00 57.72 57.89 2k3m n HIS 72 Cb 0.00 -0.62 -0.11 0.00 -0.00 0.00 0.00 29.99 29.26 2k3m n HIS 72 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 2k3m h MET 73 N 0.00 0.05 -0.96 -1.40 4.05 -1.85 -3.30 114.93 111.53 2k3m h MET 73 Ca 0.10 -0.04 0.30 0.00 -0.28 0.00 0.00 59.70 59.78 2k3m h MET 73 Cb 0.17 0.01 -0.16 0.00 -0.80 0.00 0.00 31.60 30.82 2k3m h MET 73 CO -0.25 0.72 0.37 0.28 0.23 0.00 0.00 176.91 178.25 2k3m h VAL 74 N -0.59 0.21 0.00 -5.77 2.07 0.36 0.24 116.25 112.77 2k3m h VAL 74 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2k3m h VAL 74 Cb 0.73 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2k3m h VAL 74 CO 0.01 0.03 0.67 0.59 0.02 0.00 0.00 177.57 178.89 2k3m n ASN 75 N -5.22 0.00 -0.02 0.57 4.13 -0.71 -0.97 115.26 113.04 2k3m n ASN 75 Ca 0.28 0.19 0.21 0.00 1.68 0.00 0.00 54.58 56.93 2k3m n ASN 75 Cb 0.90 0.00 0.44 0.00 -1.54 0.00 0.00 39.78 39.58 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2k3m h GLY 76 N 0.00 0.00 0.59 7.41 0.00 -0.76 3.78 103.07 114.09 2k3m h GLY 76 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2k3m h GLY 76 CO 0.00 0.00 -0.05 0.16 0.00 0.00 0.00 176.54 176.65 2k3m h ILE 77 N 0.00 1.38 -0.95 2.60 3.07 -1.32 -1.05 117.51 121.23 2k3m h ILE 77 Ca 0.32 -1.19 0.34 0.00 1.55 0.00 0.00 64.86 65.87 2k3m h ILE 77 Cb 2.27 2.07 -0.10 0.00 -0.27 0.00 0.00 36.82 40.79 2k3m h ILE 77 CO -0.00 0.32 0.60 0.55 -1.05 0.00 0.00 178.15 178.57 2k3m n VAL 78 N -4.76 -0.20 -0.05 0.16 3.14 1.25 0.33 118.33 118.21 2k3m n VAL 78 Ca -0.08 1.32 -0.02 0.00 -2.96 0.00 0.00 64.34 62.60 2k3m n VAL 78 Cb 0.28 -2.16 -0.15 0.00 -1.06 0.00 0.00 33.84 30.75 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k3m n ILE 79 N -4.20 0.99 0.94 1.55 -5.35 -1.15 -4.32 119.36 107.82 2k3m n ILE 79 Ca 0.29 -0.73 0.13 0.00 -0.27 0.00 0.00 62.75 62.17 2k3m n ILE 79 Cb 1.10 -0.42 0.35 0.00 -1.74 0.00 0.00 39.64 38.93 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m n ALA 80 N -2.54 3.08 -0.00 -1.28 0.00 1.01 -2.21 120.51 118.57 2k3m n ALA 80 Ca -0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 53.44 52.98 2k3m n ALA 80 Cb 0.93 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 19.15 2k3m n ALA 80 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k3m h GLU 81 N 0.00 -0.01 0.89 0.00 5.08 0.35 -3.39 114.58 117.51 2k3m h GLU 81 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2k3m h GLU 81 Cb 0.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k3m h GLU 81 CO 0.00 -0.01 -0.45 0.38 -1.00 0.00 0.00 179.01 177.93 2k3m h ASP 82 N -0.11 -1.08 0.00 1.42 3.04 -1.76 -3.38 116.42 114.55 2k3m h ASP 82 Ca -0.00 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 2k3m h ASP 82 Cb 0.01 0.29 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 2k3m h ASP 82 CO 0.00 -0.75 0.00 0.00 -2.04 0.00 0.00 179.24 176.46 2k3m n ALA 83 N -2.63 0.00 -0.29 4.15 0.00 -0.94 -3.10 120.51 117.70 2k3m n ALA 83 Ca -0.15 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.55 2k3m n ALA 83 Cb 0.49 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.39 2k3m n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k3m n LEU 84 N 0.00 0.18 -0.11 0.00 4.77 -1.26 0.16 117.00 120.74 2k3m n LEU 84 Ca 0.00 1.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.88 2k3m n LEU 84 Cb 0.00 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.45 2k3m n LEU 84 CO 0.00 -1.13 -1.23 2.30 -1.33 0.00 0.00 177.39 176.00 2k3m n ILE 85 N -4.25 1.40 0.40 -0.08 -0.00 -1.18 -4.37 119.36 111.28 2k3m n ILE 85 Ca 0.27 -0.72 -0.16 0.00 -0.00 0.00 0.00 62.75 62.15 2k3m n ILE 85 Cb 1.02 -0.88 -0.08 0.00 -0.00 0.00 0.00 39.64 39.70 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k3m h ALA 86 N 0.54 -1.14 0.00 -1.28 0.00 0.14 -2.28 119.26 115.24 2k3m h ALA 86 Ca -0.55 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2k3m h ALA 86 Cb 2.07 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.26 2k3m h ALA 86 CO -0.02 -1.06 0.00 -1.91 0.00 0.00 0.00 179.25 176.25 2k3m n GLU 87 N -5.11 0.23 -0.00 0.00 4.07 0.36 -0.04 120.64 120.15 2k3m n GLU 87 Ca -0.13 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 56.99 2k3m n GLU 87 Cb 0.41 -1.07 -0.03 0.00 -0.06 0.00 0.00 31.44 30.68 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k3m n ALA 88 N 0.06 2.36 -1.45 4.31 0.00 -0.88 -4.52 120.51 120.39 2k3m n ALA 88 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 2k3m n ALA 88 Cb 0.04 -0.15 0.17 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.37 2.78 -0.13 0.00 0.24 0.94 -4.64 118.33 116.15 2k3m n VAL 89 Ca 0.00 -2.72 -0.12 0.00 -2.04 0.00 0.00 64.34 59.45 2k3m n VAL 89 Cb 0.09 -0.48 -0.01 0.00 -1.47 0.00 0.00 33.84 31.97 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2k3m h GLY 90 N 1.17 1.03 0.76 7.63 0.00 -1.79 -2.89 103.07 108.98 2k3m h GLY 90 Ca 0.35 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2k3m h GLY 90 CO 0.66 0.91 0.25 -1.05 0.00 0.00 0.00 176.54 177.31 2k3m n PRO 91 N -4.07 0.00 0.15 4.80 -0.02 -1.26 -0.64 135.00 133.95 2k3m n PRO 91 Ca -0.01 0.18 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 2k3m n PRO 91 Cb 0.52 -1.75 0.48 0.00 -0.02 0.00 0.00 33.50 32.73 2k3m n PRO 91 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2k3m n HIS 92 N -1.13 0.60 0.27 6.00 -0.00 -1.09 -0.85 115.22 119.02 2k3m n HIS 92 Ca 0.00 0.32 -0.15 0.00 0.46 0.00 0.00 57.72 58.34 2k3m n HIS 92 Cb 0.25 -0.96 -0.08 0.00 -0.12 0.00 0.00 29.99 29.08 2k3m n HIS 92 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 2k3m h LEU 93 N 0.00 -0.57 -0.13 0.27 8.10 -1.16 3.01 115.31 124.82 2k3m h LEU 93 Ca 0.00 -0.05 0.03 0.00 0.11 0.00 0.00 57.88 57.97 2k3m h LEU 93 Cb 0.14 0.15 -0.03 0.00 -0.44 0.00 0.00 40.66 40.48 2k3m h LEU 93 CO 0.00 -0.29 -0.07 0.00 -4.11 0.00 0.00 178.44 173.97 2k3m h ALA 94 N -0.45 0.04 0.94 0.17 0.00 -1.25 0.53 119.26 119.25 2k3m h ALA 94 Ca -0.07 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 94 Cb 0.59 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2k3m h ALA 94 CO 0.11 -0.52 -0.47 -0.09 0.00 0.00 0.00 179.25 178.28 2k3m h ARG 95 N -0.06 -1.25 0.00 0.00 2.43 -1.35 0.33 114.38 114.48 2k3m h ARG 95 Ca 0.08 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2k3m h ARG 95 Cb 0.18 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2k3m h ARG 95 CO -0.17 -0.83 0.45 0.00 -1.51 0.00 0.00 179.97 177.91 2k3m n ALA 96 N -2.67 0.37 0.00 2.80 0.00 1.00 -4.34 120.51 117.68 2k3m n ALA 96 Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k3m n ALA 96 Cb 0.52 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2k3m n ALA 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 97 N -1.82 0.00 0.15 0.00 7.94 0.12 0.35 117.00 123.73 2k3m n LEU 97 Ca -0.00 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.08 2k3m n LEU 97 Cb 0.46 0.00 0.68 0.00 0.53 0.00 0.00 43.42 45.10 2k3m n LEU 97 CO 0.03 0.00 1.16 1.23 -1.11 0.00 0.00 177.39 178.70 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.84 5.28 103.07 104.54 2k3m h GLY 98 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k3m h GLY 98 CO 0.00 0.00 -0.02 -1.61 0.00 0.00 0.00 176.54 174.91 2k3m h GLN 99 N 0.00 0.00 -0.75 4.80 5.75 0.58 0.14 115.11 125.63 2k3m h GLN 99 Ca 0.16 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.60 2k3m h GLN 99 Cb 1.23 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.74 2k3m h GLN 99 CO -0.00 0.02 0.27 0.97 -2.65 0.00 0.00 178.83 177.43 2k3m h ILE 100 N 0.00 1.26 0.78 2.39 6.09 1.05 -2.00 117.51 127.08 2k3m h ILE 100 Ca -0.00 -0.86 -0.04 0.00 -1.37 0.00 0.00 64.86 62.59 2k3m h ILE 100 Cb 0.36 0.40 0.00 0.00 0.47 0.00 0.00 36.82 38.05 2k3m h ILE 100 CO 0.00 0.34 -0.41 0.58 -3.07 0.00 0.00 178.15 175.60 2k3m h VAL 101 N 1.11 0.00 -1.02 2.19 2.07 -0.61 0.54 116.25 120.53 2k3m h VAL 101 Ca 0.25 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.06 2k3m h VAL 101 Cb 0.26 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 2k3m h VAL 101 CO -0.01 0.00 0.95 0.00 0.02 0.00 0.00 177.57 178.53 2k3m h ARG 103 N 0.00 0.09 -0.77 0.00 2.43 -0.61 -3.08 114.38 112.44 2k3m h ARG 103 Ca 0.48 -0.16 -0.20 0.00 -0.81 0.00 0.00 59.98 59.29 2k3m h ARG 103 Cb 2.38 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 31.87 2k3m h ARG 103 CO -0.01 1.08 0.26 0.98 -1.51 0.00 0.00 179.97 180.77 2k3m n TYR 104 N -4.25 2.34 0.00 2.20 9.36 0.18 -4.81 117.16 122.19 2k3m n TYR 104 Ca -0.26 -1.13 0.00 0.00 3.32 0.00 0.00 57.90 59.83 2k3m n TYR 104 Cb 0.74 -0.66 0.00 0.00 -0.63 0.00 0.00 39.34 38.78 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 -0.09 -0.80 2.29 2.98 0.00 1.49 -4.86 105.19 106.20 2k3m n GLY 105 Ca 0.39 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.89 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 -3.00 -1.60 -0.05 4.61 0.00 -1.01 -4.88 120.51 114.58 2k3m n ALA 106 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 2k3m n ALA 106 Cb 0.00 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 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 -0.28 0.40 -0.01 0.00 2.02 -1.91 -3.35 112.91 109.79 2k3m h THR 107 Ca -0.19 -1.30 -0.00 0.00 0.77 0.00 0.00 66.41 65.68 2k3m h THR 107 Cb 1.10 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2k3m h THR 107 CO 0.18 0.14 0.00 0.52 0.37 0.00 0.00 175.52 176.73 2k3m n VAL 108 N -4.74 0.53 -0.07 3.16 0.31 -1.26 -3.74 118.33 112.52 2k3m n VAL 108 Ca -0.02 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.20 2k3m n VAL 108 Cb 0.11 -0.75 -0.07 0.00 -0.91 0.00 0.00 33.84 32.22 2k3m n VAL 108 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2k3m n ILE 109 N 0.25 0.78 0.26 2.52 -6.64 -1.26 -4.49 119.36 110.78 2k3m n ILE 109 Ca 0.00 -0.33 0.13 0.00 -1.77 0.00 0.00 62.75 60.79 2k3m n ILE 109 Cb 0.39 -0.94 0.66 0.00 -1.44 0.00 0.00 39.64 38.31 2k3m n ILE 109 CO 0.00 0.00 0.00 -0.65 -1.77 0.00 0.00 176.55 174.13 2k3m h PRO 110 N 0.00 0.00 0.12 6.28 0.11 -1.73 -2.50 132.00 134.28 2k3m h PRO 110 Ca -0.31 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 2k3m h PRO 110 Cb 1.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.62 2k3m h PRO 110 CO -0.04 0.12 -0.06 -0.97 -0.21 0.00 0.00 178.00 176.85 2k3m h ASN 111 N 0.00 -0.14 -1.09 -2.05 -0.73 -1.81 -2.65 115.58 107.11 2k3m h ASN 111 Ca -0.00 0.00 0.31 0.00 1.87 0.00 0.00 56.30 58.49 2k3m h ASN 111 Cb 0.49 0.04 -0.05 0.00 0.27 0.00 0.00 38.32 39.07 2k3m h ASN 111 CO 0.02 -0.05 0.78 -0.29 -0.37 0.00 0.00 177.43 177.52 2k3m h ILE 112 N -0.26 0.46 0.19 2.57 2.10 -1.78 0.17 117.51 120.96 2k3m h ILE 112 Ca -0.02 -0.01 0.01 0.00 1.08 0.00 0.00 64.86 65.93 2k3m h ILE 112 Cb 0.12 0.43 -0.03 0.00 -1.09 0.00 0.00 36.82 36.25 2k3m h ILE 112 CO 0.03 0.00 -0.31 -1.13 -1.08 0.00 0.00 178.15 175.66 2k3m h ASN 113 N 0.02 -0.88 -0.45 2.19 -1.24 -1.36 0.75 115.58 114.62 2k3m h ASN 113 Ca 0.53 0.09 0.09 0.00 0.71 0.00 0.00 56.30 57.72 2k3m h ASN 113 Cb 2.06 0.32 -0.02 0.00 0.73 0.00 0.00 38.32 41.41 2k3m h ASN 113 CO -0.02 -0.42 0.31 0.00 -1.29 0.00 0.00 177.43 176.01 2k3m h ALA 114 N 0.03 2.15 0.00 1.57 0.00 -0.28 0.46 119.26 123.20 2k3m h ALA 114 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k3m h ALA 114 Cb 0.58 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k3m h ALA 114 CO -0.14 -0.26 -0.13 0.00 0.00 0.00 0.00 179.25 178.73 2k3m h ALA 115 N 1.77 0.03 -0.18 0.00 0.00 -1.21 -3.23 119.26 116.44 2k3m h ALA 115 Ca 0.21 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2k3m h ALA 115 Cb 0.55 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2k3m h ALA 115 CO -0.04 0.07 -0.46 0.82 0.00 0.00 0.00 179.25 179.65 2k3m h ILE 116 N -1.00 0.10 -0.89 0.00 2.04 0.73 1.04 117.51 119.53 2k3m h ILE 116 Ca -0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.94 2k3m h ILE 116 Cb 0.99 0.10 -0.13 0.00 -0.74 0.00 0.00 36.82 37.04 2k3m h ILE 116 CO -0.02 0.00 -0.41 1.21 0.00 0.00 0.00 178.15 178.93 2k3m n GLU 117 N -5.43 -0.27 0.04 2.37 2.13 0.13 0.24 120.64 119.85 2k3m n GLU 117 Ca -0.04 1.37 -0.11 0.00 0.66 0.00 0.00 57.16 59.04 2k3m n GLU 117 Cb 0.37 -2.03 -0.06 0.00 0.27 0.00 0.00 31.44 29.99 2k3m n GLU 117 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k3m h VAL 118 N 0.00 0.88 0.00 6.31 2.07 -1.03 -1.91 116.25 122.57 2k3m h VAL 118 Ca 0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 2k3m h VAL 118 Cb 0.48 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2k3m h VAL 118 CO -0.87 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 176.61 2k3m n LEU 119 N -5.16 0.00 0.00 2.57 7.94 0.64 -4.60 117.00 118.39 2k3m n LEU 119 Ca -0.06 0.80 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 2k3m n LEU 119 Cb 0.09 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.74 2k3m n LEU 119 CO 0.30 -0.30 0.02 0.61 -1.11 0.00 0.00 177.39 176.91 2k3m n GLY 120 N -0.83 1.25 0.00 -3.96 0.00 0.34 -4.97 105.19 97.04 2k3m n GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.39 0.00 0.00 2.61 -1.04 -0.72 -5.00 114.28 109.74 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 -0.08 2.28 3.35 3.41 0.00 -1.23 -4.68 105.19 108.23 2k3m n GLY 122 Ca 0.00 -0.36 -0.53 0.00 0.00 0.00 0.00 46.02 45.13 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 0.02 -3.88 2.61 -1.04 -1.26 -4.81 114.28 105.92 2k3m n THR 123 Ca 0.00 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.05 61.85 2k3m n THR 123 Cb 0.00 -0.69 -0.12 0.00 -1.82 0.00 0.00 70.33 67.70 2k3m n THR 123 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2k3m s ASP 124 N 7.17 0.01 -0.07 8.00 1.01 -1.26 -5.10 116.67 126.44 2k3m s ASP 124 Ca 1.23 -0.08 -0.17 0.00 0.71 0.00 0.00 52.55 54.24 2k3m s ASP 124 Cb -1.33 0.17 0.03 0.00 1.01 0.00 0.00 42.92 42.81 2k3m s ASP 124 CO 0.58 -0.19 0.39 -0.47 0.21 0.00 0.00 175.17 175.69 2k3m s TYR 125 N -0.69 -0.33 0.01 4.23 6.14 -1.26 -5.17 117.35 120.27 2k3m s TYR 125 Ca -0.08 0.65 -0.10 0.00 0.64 0.00 0.00 57.07 58.18 2k3m s TYR 125 Cb -0.05 0.16 0.01 0.00 0.42 0.00 0.00 41.96 42.50 2k3m s TYR 125 CO 0.00 -0.36 0.21 1.03 0.64 0.00 0.00 175.55 177.07 2k3m s ARG 126 N -0.79 0.62 0.00 4.97 1.81 -1.26 -5.23 118.95 119.06 2k3m s ARG 126 Ca -0.09 -0.42 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 2k3m s ARG 126 Cb -0.04 0.26 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 2k3m s ARG 126 CO 0.04 -0.17 0.07 1.97 -0.68 0.00 0.00 175.30 176.53