#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 3.47 0.00 7.83 3.41 -1.26 -4.85 113.62 122.22 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 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2k3m n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k3m n ASP 3 N 1.21 0.00 -3.76 4.04 8.00 -1.26 -5.18 116.55 119.61 2k3m n ASP 3 Ca 0.19 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.56 2k3m n ASP 3 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.00 -0.27 0.04 1.24 5.36 -1.26 -5.17 117.98 117.92 2k3m s PHE 4 Ca 0.00 0.55 -0.21 0.00 -0.96 0.00 0.00 56.93 56.31 2k3m s PHE 4 Cb 0.00 0.11 0.05 0.00 -0.34 0.00 0.00 43.02 42.84 2k3m s PHE 4 CO 0.00 -0.31 0.48 -0.51 -1.46 0.00 0.00 175.22 173.42 2k3m s ASP 5 N -0.70 -0.38 0.53 6.13 1.11 -1.26 -5.03 116.67 117.07 2k3m s ASP 5 Ca -0.08 0.13 -0.06 0.00 0.18 0.00 0.00 52.55 52.72 2k3m s ASP 5 Cb -0.04 0.46 -0.04 0.00 1.07 0.00 0.00 42.92 44.37 2k3m s ASP 5 CO 0.03 -0.68 -0.33 0.41 1.18 0.00 0.00 175.17 175.77 2k3m n THR 6 N 0.50 0.00 0.30 -1.27 -1.04 -1.26 -3.68 114.28 107.84 2k3m n THR 6 Ca -0.19 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.68 2k3m n THR 6 Cb 0.60 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.04 2k3m n THR 6 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2k3m h GLU 7 N -1.50 -0.76 -0.07 -2.82 5.08 -2.02 0.43 114.58 112.92 2k3m h GLU 7 Ca -0.08 0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2k3m h GLU 7 Cb 0.30 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2k3m h GLU 7 CO 0.04 -0.46 -0.40 0.07 -1.00 0.00 0.00 179.01 177.26 2k3m h ARG 8 N -1.11 0.15 0.34 2.33 0.11 -1.95 1.26 114.38 115.51 2k3m h ARG 8 Ca -0.08 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 59.92 2k3m h ARG 8 Cb 0.66 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2k3m h ARG 8 CO 0.13 0.53 -0.17 0.28 0.10 0.00 0.00 179.97 180.85 2k3m h VAL 9 N 0.13 0.62 -0.40 0.08 2.07 -1.85 0.88 116.25 117.79 2k3m h VAL 9 Ca 0.01 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 2k3m h VAL 9 Cb 0.77 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2k3m h VAL 9 CO 0.06 0.10 -0.27 -1.28 0.02 0.00 0.00 177.57 176.19 2k3m h SER 10 N -0.80 0.87 0.18 0.57 0.87 -0.06 -1.90 113.55 113.28 2k3m h SER 10 Ca -0.05 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 2k3m h SER 10 Cb 0.52 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2k3m h SER 10 CO 0.08 1.09 -0.09 -0.09 -0.53 0.00 0.00 176.83 177.29 2k3m h ARG 11 N 0.72 -0.23 -0.79 2.24 2.43 0.16 -2.88 114.38 116.04 2k3m h ARG 11 Ca 0.09 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.49 2k3m h ARG 11 Cb 0.82 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 2k3m h ARG 11 CO 0.07 -0.15 0.56 0.00 -1.51 0.00 0.00 179.97 178.94 2k3m h ALA 12 N -1.47 2.65 -0.02 2.80 0.00 0.67 0.91 119.26 124.79 2k3m h ALA 12 Ca -0.02 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k3m h ALA 12 Cb 0.18 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2k3m h ALA 12 CO 0.04 -0.88 -0.14 0.28 0.00 0.00 0.00 179.25 178.56 2k3m h VAL 13 N 0.06 0.65 0.60 0.00 2.07 -1.36 2.34 116.25 120.62 2k3m h VAL 13 Ca 0.38 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.87 2k3m h VAL 13 Cb 1.42 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2k3m h VAL 13 CO -0.03 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.24 2k3m h ALA 14 N 0.75 -1.20 -0.03 1.67 0.00 0.10 1.91 119.26 122.46 2k3m h ALA 14 Ca 0.05 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2k3m h ALA 14 Cb 0.29 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2k3m h ALA 14 CO -0.15 -1.15 -0.29 0.00 0.00 0.00 0.00 179.25 177.65 2k3m h ALA 15 N -1.53 -0.40 0.32 0.00 0.00 -0.97 1.49 119.26 118.18 2k3m h ALA 15 Ca -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 15 Cb 0.66 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k3m h ALA 15 CO 0.12 -0.79 -0.16 0.00 0.00 0.00 0.00 179.25 178.42 2k3m h ALA 16 N 0.36 -0.44 0.09 0.00 0.00 0.40 2.28 119.26 121.96 2k3m h ALA 16 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 16 Cb 0.52 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2k3m h ALA 16 CO -0.27 -0.67 -0.15 1.25 0.00 0.00 0.00 179.25 179.42 2k3m h LEU 17 N -0.59 -0.41 0.42 0.00 5.85 0.33 0.77 115.31 121.69 2k3m h LEU 17 Ca -0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k3m h LEU 17 Cb 0.43 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2k3m h LEU 17 CO 0.07 -0.22 -0.20 -0.37 -0.34 0.00 0.00 178.44 177.38 2k3m h VAL 18 N -0.29 0.45 -0.79 1.05 -1.51 0.21 -3.36 116.25 112.00 2k3m h VAL 18 Ca 0.02 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2k3m h VAL 18 Cb 0.31 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2k3m h VAL 18 CO -0.08 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2k3m n GLY 19 N -0.28 -3.44 0.09 5.19 0.00 0.77 -4.89 105.19 102.62 2k3m n GLY 19 Ca -0.10 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 0.14 0.59 1.61 0.13 -1.77 -3.33 132.00 129.37 2k3m h PRO 20 Ca 0.00 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 2k3m h PRO 20 Cb 0.00 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 2k3m h PRO 20 CO 0.00 1.04 -0.38 0.78 -0.23 0.00 0.00 178.00 179.22 2k3m h GLY 21 N 2.34 -1.00 0.87 1.56 0.00 -1.85 3.63 103.07 108.61 2k3m h GLY 21 Ca -0.12 0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.64 2k3m h GLY 21 CO 0.15 -0.36 0.00 -1.33 0.00 0.00 0.00 176.54 175.01 2k3m h GLY 22 N -0.92 0.09 1.42 4.60 0.00 0.33 0.32 103.07 108.91 2k3m h GLY 22 Ca -0.07 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.30 2k3m h GLY 22 CO 0.07 -0.01 0.31 -2.08 0.00 0.00 0.00 176.54 174.82 2k3m h VAL 23 N 0.04 1.03 0.68 4.60 2.07 -1.19 -0.46 116.25 123.01 2k3m h VAL 23 Ca 0.04 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2k3m h VAL 23 Cb 0.05 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2k3m h VAL 23 CO -0.07 0.09 -0.40 0.00 0.02 0.00 0.00 177.57 177.20 2k3m h ALA 24 N 1.74 -1.22 -0.52 1.67 0.00 1.07 0.15 119.26 122.15 2k3m h ALA 24 Ca 0.19 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 24 Cb 0.15 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2k3m h ALA 24 CO -0.05 -1.18 0.12 -0.07 0.00 0.00 0.00 179.25 178.07 2k3m h LEU 25 N -1.01 0.80 0.86 0.00 3.38 -1.00 -0.89 115.31 117.45 2k3m h LEU 25 Ca -0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2k3m h LEU 25 Cb 0.80 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2k3m h LEU 25 CO 0.10 0.83 -0.41 0.58 0.09 0.00 0.00 178.44 179.63 2k3m h VAL 26 N 0.73 0.13 -0.46 1.22 2.07 -1.07 -0.22 116.25 118.65 2k3m h VAL 26 Ca 0.16 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2k3m h VAL 26 Cb 0.35 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2k3m h VAL 26 CO 0.00 0.00 0.29 1.62 0.02 0.00 0.00 177.57 179.50 2k3m h VAL 27 N -1.18 1.13 0.27 2.57 3.04 -0.99 0.19 116.25 121.27 2k3m h VAL 27 Ca -0.12 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.29 2k3m h VAL 27 Cb 0.89 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 2k3m h VAL 27 CO 0.19 0.13 -0.13 0.50 -1.01 0.00 0.00 177.57 177.26 2k3m h LYS 28 N 0.63 -0.34 -0.28 4.17 1.63 -1.00 0.23 116.57 121.61 2k3m h LYS 28 Ca 0.17 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 2k3m h LYS 28 Cb -0.04 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2k3m h LYS 28 CO -0.03 -0.05 0.11 0.28 -3.45 0.00 0.00 179.45 176.31 2k3m h VAL 29 N -0.63 1.17 0.73 2.00 2.07 -0.78 0.85 116.25 121.66 2k3m h VAL 29 Ca -0.04 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2k3m h VAL 29 Cb 0.45 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2k3m h VAL 29 CO 0.06 0.18 -0.35 0.00 0.02 0.00 0.00 177.57 177.47 2k3m h ALA 31 N -1.24 -0.32 -2.46 0.00 0.00 -0.53 -3.49 119.26 111.22 2k3m h ALA 31 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k3m h ALA 31 Cb 0.76 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k3m h ALA 31 CO 0.17 -0.67 0.00 0.41 0.00 0.00 0.00 179.25 179.15 2k3m n GLY 32 N -1.19 -0.36 0.83 0.00 0.00 0.30 -4.97 105.19 99.80 2k3m n GLY 32 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.51 -1.50 0.21 0.99 7.94 -1.25 -4.87 117.00 118.01 2k3m n LEU 33 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 2k3m n LEU 33 Cb 0.10 -0.75 0.46 0.00 0.53 0.00 0.00 43.42 43.76 2k3m n LEU 33 CO 0.00 0.00 0.79 1.55 -1.11 0.00 0.00 177.39 178.62 2k3m h PRO 34 N 0.00 0.00 0.95 1.96 0.13 -1.92 -3.28 132.00 129.84 2k3m h PRO 34 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 2k3m h PRO 34 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2k3m h PRO 34 CO 0.00 0.29 -0.46 0.78 -0.23 0.00 0.00 178.00 178.39 2k3m h GLY 35 N 1.27 -1.33 -3.72 1.56 0.00 -1.92 -3.41 103.07 95.52 2k3m h GLY 35 Ca -0.00 0.49 -0.51 0.00 0.00 0.00 0.00 47.33 47.31 2k3m h GLY 35 CO 0.04 -0.48 0.18 0.54 0.00 0.00 0.00 176.54 176.81 2k3m s VAL 36 N -5.81 4.42 0.00 4.60 0.11 -1.24 -4.93 120.40 117.55 2k3m s VAL 36 Ca -0.19 1.55 0.00 0.00 -2.93 0.00 0.00 61.98 60.41 2k3m s VAL 36 Cb 0.02 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 2k3m s VAL 36 CO 0.58 0.32 0.00 2.30 -3.33 0.00 0.00 175.10 174.97 2k3m n ILE 37 N 1.03 0.00 -4.09 7.04 -5.35 -1.26 -4.75 119.36 111.99 2k3m n ILE 37 Ca -0.03 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.25 2k3m n ILE 37 Cb 0.50 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.23 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2k3m s HIS 38 N 0.00 0.72 0.24 4.28 3.76 -1.26 -5.14 115.29 117.89 2k3m s HIS 38 Ca 0.00 -0.20 0.11 0.00 -0.15 0.00 0.00 55.06 54.82 2k3m s HIS 38 Cb 0.00 -0.68 -0.05 0.00 1.11 0.00 0.00 32.58 32.96 2k3m s HIS 38 CO 0.00 -0.21 -0.20 0.95 -0.85 0.00 0.00 174.74 174.43 2k3m s THR 39 N 1.09 2.27 0.00 1.30 -4.23 -1.26 -5.11 115.64 109.70 2k3m s THR 39 Ca -0.08 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.17 2k3m s THR 39 Cb -0.14 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.52 2k3m s THR 39 CO -0.01 -0.37 0.00 -0.81 -0.54 0.00 0.00 174.62 172.89 2k3m n PRO 40 N -0.33 0.00 -2.48 3.99 -0.04 -1.26 -4.90 135.00 129.97 2k3m n PRO 40 Ca -0.08 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2k3m n PRO 40 Cb 0.59 -0.43 -0.02 0.00 -0.04 0.00 0.00 33.50 33.60 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 -4.11 3.55 0.07 0.55 0.00 -1.26 -4.93 121.76 115.64 2k3m s ALA 41 Ca 0.00 0.52 -0.27 0.00 0.00 0.00 0.00 51.96 52.21 2k3m s ALA 41 Cb 0.00 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.67 2k3m s ALA 41 CO 0.00 -0.89 1.13 1.03 0.00 0.00 0.00 175.76 177.02 2k3m s ARG 42 N 2.66 0.82 0.00 0.00 0.52 -1.26 -4.98 118.95 116.70 2k3m s ARG 42 Ca 0.54 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 2k3m s ARG 42 Cb -0.22 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.52 2k3m s ARG 42 CO 0.18 -0.38 0.11 -2.13 0.02 0.00 0.00 175.30 173.10 2k3m n ARG 43 N -0.52 0.18 0.00 3.54 3.00 -1.26 -4.66 116.66 116.94 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 -1.07 0.00 0.00 0.00 0.00 0.00 32.46 32.00 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 0.27 2.76 3.57 5.14 0.00 -1.26 -4.88 105.19 110.79 2k3m n GLY 44 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2k3m n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3m s PHE 45 N -0.63 -0.39 0.00 1.61 5.36 -1.26 -5.12 117.98 117.55 2k3m s PHE 45 Ca 0.00 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 2k3m s PHE 45 Cb 0.00 0.60 0.00 0.00 -0.34 0.00 0.00 43.02 43.28 2k3m s PHE 45 CO 0.00 -0.89 0.00 1.19 -1.46 0.00 0.00 175.22 174.06 2k3m n PHE 46 N -0.38 0.00 0.00 10.12 3.01 -1.26 -5.05 117.46 123.90 2k3m n PHE 46 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 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 0.54 1.01 0.00 0.00 176.76 178.31 2k3m n ARG 47 N 0.00 0.00 -2.05 -1.08 5.12 -1.26 -5.10 116.66 112.29 2k3m n ARG 47 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k3m s ASN 49 N -2.21 1.33 0.00 0.00 2.20 -1.26 -5.04 114.94 109.97 2k3m s ASN 49 Ca 0.02 -0.06 -0.07 0.00 -0.94 0.00 0.00 52.86 51.81 2k3m s ASN 49 Cb -0.01 -0.37 -0.09 0.00 -2.00 0.00 0.00 41.25 38.78 2k3m s ASN 49 CO 0.27 -0.18 0.83 -2.65 -2.94 0.00 0.00 177.10 172.43 2k3m n PRO 50 N 4.97 0.00 -2.99 3.55 -0.02 -1.26 -3.20 135.00 136.05 2k3m n PRO 50 Ca -0.10 -0.43 -0.17 0.00 -2.02 0.00 0.00 63.50 60.78 2k3m n PRO 50 Cb 0.50 -1.73 0.04 0.00 -0.02 0.00 0.00 33.50 32.29 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 4.91 -4.47 -4.66 -0.52 4.71 -1.26 -5.01 120.64 114.33 2k3m n GLU 51 Ca 0.11 0.67 -0.34 0.00 -0.01 0.00 0.00 57.16 57.59 2k3m n GLU 51 Cb 0.14 -5.07 -0.12 0.00 -1.01 0.00 0.00 31.44 25.38 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2k3m s ARG 52 N -5.60 2.82 0.37 3.49 0.52 -1.19 -5.09 118.95 114.26 2k3m s ARG 52 Ca 0.30 -0.58 -0.27 0.00 -0.52 0.00 0.00 55.73 54.66 2k3m s ARG 52 Cb -0.13 -2.58 -0.10 0.00 0.52 0.00 0.00 34.95 32.66 2k3m s ARG 52 CO 0.37 0.60 1.30 -1.50 0.02 0.00 0.00 175.30 176.09 2k3m s ILE 53 N -0.63 2.69 -1.10 1.52 1.10 -1.26 -4.81 121.20 118.71 2k3m s ILE 53 Ca 0.09 0.66 -0.26 0.00 -0.51 0.00 0.00 60.65 60.64 2k3m s ILE 53 Cb -0.11 -3.40 -0.19 0.00 0.15 0.00 0.00 42.46 38.91 2k3m s ILE 53 CO 0.02 0.13 2.08 0.00 -2.11 0.00 0.00 174.94 175.05 2k3m s GLN 54 N -2.02 1.53 0.09 3.50 0.00 -1.26 -4.82 119.66 116.68 2k3m s GLN 54 Ca 0.53 -0.59 -0.13 0.00 -0.00 0.00 0.00 55.36 55.17 2k3m s GLN 54 Cb -0.39 -5.04 0.02 0.00 0.00 0.00 0.00 33.01 27.60 2k3m s GLN 54 CO 0.50 -5.07 0.29 0.96 0.00 0.00 0.00 175.29 171.97 2k3m s ILE 55 N 15.39 0.10 0.00 3.63 -0.00 -1.26 -4.92 121.20 134.14 2k3m s ILE 55 Ca 0.78 -0.83 0.00 0.00 -0.00 0.00 0.00 60.65 60.61 2k3m s ILE 55 Cb -0.04 -1.16 0.00 0.00 -0.00 0.00 0.00 42.46 41.26 2k3m s ILE 55 CO 0.16 -0.46 0.00 0.61 -0.00 0.00 0.00 174.94 175.26 2k3m n GLY 56 N 0.09 0.78 3.55 6.27 0.00 -1.26 -5.04 105.19 109.58 2k3m n GLY 56 Ca -0.16 0.00 -0.40 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 -1.85 5.96 0.73 1.61 -4.77 -1.26 -4.96 116.67 112.14 2k3m s ASP 57 Ca 0.00 -0.45 -0.04 0.00 -3.30 0.00 0.00 52.55 48.76 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 -1.96 1.02 0.26 0.70 0.00 0.00 175.17 175.19 2k3m s TRP 58 N 6.59 2.02 -0.15 2.11 0.52 -1.26 -5.07 118.94 123.70 2k3m s TRP 58 Ca 0.46 -0.00 -0.11 0.00 0.02 0.00 0.00 56.10 56.46 2k3m s TRP 58 Cb -0.08 -3.18 -0.07 0.00 -1.15 0.00 0.00 33.47 29.00 2k3m s TRP 58 CO 0.11 -1.69 -0.05 0.00 0.02 0.00 0.00 176.95 175.35 2k3m h ARG 59 N -0.64 0.00 0.00 4.98 -0.00 -2.00 -3.39 114.38 113.33 2k3m h ARG 59 Ca -0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.08 2k3m h ARG 59 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.25 2k3m h ARG 59 CO 0.45 0.23 -0.95 0.98 0.00 0.00 0.00 179.97 180.68 2k3m n TYR 60 N -4.60 0.70 0.68 3.04 9.36 -1.26 -3.90 117.16 121.18 2k3m n TYR 60 Ca -0.11 0.20 0.12 0.00 3.32 0.00 0.00 57.90 61.44 2k3m n TYR 60 Cb 0.32 -0.77 0.47 0.00 -0.63 0.00 0.00 39.34 38.73 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 -2.39 0.15 -0.20 2.98 2.13 -1.26 -3.94 120.64 118.12 2k3m n GLU 61 Ca 0.01 0.19 -0.07 0.00 0.66 0.00 0.00 57.16 57.95 2k3m n GLU 61 Cb 0.50 -1.70 -0.02 0.00 0.27 0.00 0.00 31.44 30.49 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 0.12 -0.08 6.31 -1.51 -1.76 2.53 116.25 121.87 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 0.55 0.12 -0.00 0.00 -2.13 0.00 0.00 31.29 29.83 2k3m h VAL 62 CO 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 177.57 176.35 2k3m h ALA 63 N 0.73 0.10 0.25 5.19 0.00 -1.88 2.47 119.26 126.12 2k3m h ALA 63 Ca 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2k3m h ALA 63 Cb 0.56 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2k3m h ALA 63 CO -0.68 -0.25 -0.47 1.25 0.00 0.00 0.00 179.25 179.10 2k3m h HIS 64 N -0.12 -1.34 -0.29 0.00 6.17 -1.04 -0.21 115.15 118.32 2k3m h HIS 64 Ca 0.02 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.09 2k3m h HIS 64 Cb 0.29 0.55 -0.01 0.00 2.52 0.00 0.00 27.41 30.76 2k3m h HIS 64 CO 0.02 -0.59 0.04 -0.44 0.71 0.00 0.00 177.93 177.67 2k3m h ASP 65 N -0.80 0.47 0.00 3.26 5.19 0.42 -2.65 116.42 122.32 2k3m h ASP 65 Ca -0.01 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2k3m h ASP 65 Cb 0.76 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2k3m h ASP 65 CO -0.19 0.61 0.00 0.61 -3.12 0.00 0.00 179.24 177.15 2k3m n GLY 66 N -0.46 0.65 0.00 2.75 0.00 0.83 -2.59 105.19 106.38 2k3m n GLY 66 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2k3m n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k3m n ARG 67 N 0.53 0.02 -0.03 1.61 3.00 -0.15 -4.03 116.66 117.62 2k3m n ARG 67 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.85 57.84 2k3m n ARG 67 Cb 0.14 -1.50 0.29 0.00 0.00 0.00 0.00 32.46 31.39 2k3m n ARG 67 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 2k3m h LEU 68 N 0.02 0.55 0.11 6.15 -0.00 -1.76 -0.96 115.31 119.41 2k3m h LEU 68 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2k3m h LEU 68 Cb 0.50 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 2k3m h LEU 68 CO 0.00 0.57 -0.24 0.25 -0.00 0.00 0.00 178.44 179.02 2k3m h LEU 69 N 0.57 -0.70 0.00 0.17 6.46 -1.88 1.78 115.31 121.71 2k3m h LEU 69 Ca 0.13 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2k3m h LEU 69 Cb 0.26 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2k3m h LEU 69 CO 0.00 -0.27 0.00 0.00 -0.62 0.00 0.00 178.44 177.55 2k3m n ALA 70 N -2.62 -0.16 0.00 1.25 0.00 -1.22 -3.45 120.51 114.30 2k3m n ALA 70 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k3m n ALA 70 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.14 1.19 -0.05 0.00 0.00 -0.37 -4.63 120.51 115.51 2k3m n ALA 71 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2k3m n ALA 71 Cb 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 0.07 0.00 0.29 0.00 1.44 0.60 0.30 115.22 117.93 2k3m n HIS 72 Ca 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 2k3m n HIS 72 Cb 0.00 -0.04 -0.08 0.00 0.12 0.00 0.00 29.99 29.99 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 -0.71 -0.85 -1.40 2.86 -1.82 -3.16 114.93 109.85 2k3m h MET 73 Ca 0.08 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.93 2k3m h MET 73 Cb 0.34 0.16 -0.15 0.00 0.06 0.00 0.00 31.60 32.01 2k3m h MET 73 CO -0.00 -0.41 -0.24 0.28 1.06 0.00 0.00 176.91 177.59 2k3m n VAL 74 N -5.34 -0.38 0.12 -2.22 0.31 0.86 -1.14 118.33 110.54 2k3m n VAL 74 Ca -0.12 1.95 0.00 0.00 -0.01 0.00 0.00 64.34 66.16 2k3m n VAL 74 Cb 0.33 -2.67 0.00 0.00 -0.91 0.00 0.00 33.84 30.60 2k3m n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2k3m n ASN 75 N -5.34 0.00 0.00 4.52 5.15 -1.19 -0.73 115.26 117.67 2k3m n ASN 75 Ca 0.12 0.18 0.22 0.00 -0.60 0.00 0.00 54.58 54.50 2k3m n ASN 75 Cb 0.40 0.00 0.63 0.00 -0.53 0.00 0.00 39.78 40.28 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 0.34 8.20 0.00 -1.36 0.14 103.07 110.39 2k3m h GLY 76 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k3m h GLY 76 CO 0.00 0.00 -0.09 0.16 0.00 0.00 0.00 176.54 176.61 2k3m h ILE 77 N 0.00 0.68 -1.41 2.60 3.07 -1.22 2.76 117.51 124.00 2k3m h ILE 77 Ca 0.28 -1.06 0.47 0.00 1.55 0.00 0.00 64.86 66.10 2k3m h ILE 77 Cb 1.72 1.15 -0.12 0.00 -0.27 0.00 0.00 36.82 39.31 2k3m h ILE 77 CO -0.00 0.18 0.93 0.55 -1.05 0.00 0.00 178.15 178.76 2k3m n VAL 78 N -4.94 -0.19 -0.12 0.16 3.14 0.47 0.23 118.33 117.07 2k3m n VAL 78 Ca -0.07 1.63 -0.16 0.00 -2.96 0.00 0.00 64.34 62.78 2k3m n VAL 78 Cb 0.25 -2.69 -0.13 0.00 -1.06 0.00 0.00 33.84 30.21 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 -4.43 1.46 0.78 1.55 -5.35 -1.11 -4.21 119.36 108.05 2k3m n ILE 79 Ca 0.39 -0.64 0.13 0.00 -0.27 0.00 0.00 62.75 62.36 2k3m n ILE 79 Cb 1.56 -1.19 0.42 0.00 -1.74 0.00 0.00 39.64 38.69 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 -3.13 2.53 -0.31 -1.28 0.00 0.93 -3.13 120.51 116.11 2k3m n ALA 80 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2k3m n ALA 80 Cb 1.03 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2k3m n ALA 80 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k3m n GLU 81 N -1.92 0.00 0.04 0.00 2.13 0.63 -4.79 120.64 116.74 2k3m n GLU 81 Ca 0.06 0.13 0.11 0.00 0.66 0.00 0.00 57.16 58.12 2k3m n GLU 81 Cb 0.39 -0.54 -0.01 0.00 0.27 0.00 0.00 31.44 31.55 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2k3m n ASP 82 N -1.93 0.58 -0.32 4.31 8.00 -1.25 -4.39 116.55 121.54 2k3m n ASP 82 Ca 0.00 -0.03 0.08 0.00 0.71 0.00 0.00 54.79 55.55 2k3m n ASP 82 Cb 0.00 0.88 0.24 0.00 -0.02 0.00 0.00 41.12 42.22 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3m h ALA 83 N 2.32 1.40 0.00 2.24 0.00 -1.71 -0.99 119.26 122.51 2k3m h ALA 83 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k3m h ALA 83 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k3m h ALA 83 CO 0.00 0.01 0.76 1.28 0.00 0.00 0.00 179.25 181.31 2k3m n LEU 84 N -4.78 0.00 -0.08 0.00 4.77 -1.26 0.27 117.00 115.92 2k3m n LEU 84 Ca 0.18 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.33 2k3m n LEU 84 Cb 0.42 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 2k3m n LEU 84 CO 0.23 -0.28 -0.98 2.30 -1.33 0.00 0.00 177.39 177.34 2k3m n ILE 85 N -1.81 1.48 -0.04 -0.08 -5.35 -0.38 -4.50 119.36 108.69 2k3m n ILE 85 Ca 0.00 -0.80 -0.06 0.00 -0.27 0.00 0.00 62.75 61.61 2k3m n ILE 85 Cb 0.76 -0.79 -0.14 0.00 -1.74 0.00 0.00 39.64 37.73 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m n ALA 86 N -2.76 1.65 0.00 -1.28 0.00 0.75 -4.08 120.51 114.80 2k3m n ALA 86 Ca -0.30 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2k3m n ALA 86 Cb 1.11 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2k3m n ALA 86 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k3m n GLU 87 N -2.85 0.00 0.00 0.00 -0.00 0.98 0.14 120.64 118.91 2k3m n GLU 87 Ca -0.21 0.28 0.16 0.00 -0.00 0.00 0.00 57.16 57.38 2k3m n GLU 87 Cb 1.03 -1.61 0.91 0.00 -0.00 0.00 0.00 31.44 31.77 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k3m n ALA 88 N -1.25 2.64 -1.33 -1.84 0.00 -1.26 -2.96 120.51 114.52 2k3m n ALA 88 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 53.44 52.98 2k3m n ALA 88 Cb 0.11 -1.51 0.13 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.04 3.30 -0.13 0.00 0.24 0.37 -4.60 118.33 116.46 2k3m n VAL 89 Ca 0.22 -2.51 -0.08 0.00 -2.04 0.00 0.00 64.34 59.93 2k3m n VAL 89 Cb 0.13 -0.77 0.08 0.00 -1.47 0.00 0.00 33.84 31.81 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 1.46 0.94 0.63 7.63 0.00 -1.74 -2.54 103.07 109.45 2k3m h GLY 90 Ca 0.58 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2k3m h GLY 90 CO 1.23 0.69 0.26 -1.05 0.00 0.00 0.00 176.54 177.67 2k3m n PRO 91 N -4.14 0.00 0.32 4.80 -0.02 -1.26 -0.18 135.00 134.51 2k3m n PRO 91 Ca 0.01 0.14 0.19 0.00 -2.02 0.00 0.00 63.50 61.82 2k3m n PRO 91 Cb 0.40 -1.76 1.03 0.00 -0.02 0.00 0.00 33.50 33.15 2k3m n PRO 91 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2k3m h HIS 92 N 0.00 0.00 0.80 6.00 2.07 -1.83 -0.84 115.15 121.35 2k3m h HIS 92 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2k3m h HIS 92 Cb 0.52 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.51 2k3m h HIS 92 CO 0.00 0.00 -0.38 1.37 -3.07 0.00 0.00 177.93 175.85 2k3m h LEU 93 N 0.00 -0.91 -0.00 6.12 8.10 -0.84 3.36 115.31 131.13 2k3m h LEU 93 Ca 0.01 0.02 0.03 0.00 0.11 0.00 0.00 57.88 58.05 2k3m h LEU 93 Cb 0.28 0.23 -0.03 0.00 -0.44 0.00 0.00 40.66 40.70 2k3m h LEU 93 CO -0.00 -0.60 -0.16 0.00 -4.11 0.00 0.00 178.44 173.57 2k3m h ALA 94 N -1.00 -0.19 0.89 0.17 0.00 -1.42 0.33 119.26 118.03 2k3m h ALA 94 Ca -0.11 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 94 Cb 0.83 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k3m h ALA 94 CO 0.18 -0.65 -0.48 -0.09 0.00 0.00 0.00 179.25 178.21 2k3m h ARG 95 N -0.26 -1.22 0.00 0.00 2.43 -1.30 0.28 114.38 114.30 2k3m h ARG 95 Ca 0.05 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2k3m h ARG 95 Cb 0.33 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2k3m h ARG 95 CO -0.16 -0.81 0.44 0.00 -1.51 0.00 0.00 179.97 177.93 2k3m n ALA 96 N -2.69 0.37 0.00 2.80 0.00 1.11 -4.31 120.51 117.80 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 0.51 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.75 0.00 0.09 0.00 -0.00 0.97 0.41 117.00 116.72 2k3m n LEU 97 Ca -0.00 0.00 0.20 0.00 -0.00 0.00 0.00 56.01 56.20 2k3m n LEU 97 Cb 0.45 0.00 0.66 0.00 -0.00 0.00 0.00 43.42 44.53 2k3m n LEU 97 CO 0.03 0.00 1.18 1.23 -0.00 0.00 0.00 177.39 179.82 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.84 5.12 103.07 104.39 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 0.00 1.46 0.00 0.00 0.00 176.54 178.00 2k3m h GLN 99 N 0.00 0.00 -0.38 4.80 4.20 0.77 -1.79 115.11 122.71 2k3m h GLN 99 Ca 0.21 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.85 2k3m h GLN 99 Cb 1.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 2k3m h GLN 99 CO -0.00 0.00 -0.03 0.82 -0.67 0.00 0.00 178.83 178.95 2k3m h ILE 100 N 0.00 1.27 0.68 2.54 1.08 1.01 0.24 117.51 124.33 2k3m h ILE 100 Ca 0.00 -1.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.38 2k3m h ILE 100 Cb 0.37 1.20 0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2k3m h ILE 100 CO 0.00 0.35 -0.33 1.62 -0.69 0.00 0.00 178.15 179.10 2k3m h VAL 101 N 0.50 0.32 -0.91 1.67 3.04 -1.26 2.26 116.25 121.87 2k3m h VAL 101 Ca 0.10 -0.02 0.25 0.00 -1.01 0.00 0.00 66.70 66.02 2k3m h VAL 101 Cb 0.52 0.33 -0.05 0.00 -2.01 0.00 0.00 31.29 30.08 2k3m h VAL 101 CO 0.03 0.00 0.64 0.00 -1.01 0.00 0.00 177.57 177.23 2k3m h ARG 103 N 0.13 0.10 0.00 0.00 2.43 0.27 -0.74 114.38 116.57 2k3m h ARG 103 Ca 0.45 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2k3m h ARG 103 Cb 1.57 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 2k3m h ARG 103 CO -0.07 1.08 0.50 -0.92 -1.51 0.00 0.00 179.97 179.05 2k3m h TYR 104 N -0.72 0.00 0.00 2.20 3.20 0.45 -3.39 116.97 118.72 2k3m h TYR 104 Ca -0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2k3m h TYR 104 Cb 1.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.67 2k3m h TYR 104 CO 0.16 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.09 2k3m n GLY 105 N -1.29 -0.12 2.18 1.82 0.00 -0.86 -5.06 105.19 101.86 2k3m n GLY 105 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.69 -3.08 1.09 4.61 0.00 -0.28 -4.91 120.51 116.25 2k3m n ALA 106 Ca 0.00 0.52 0.11 0.00 0.00 0.00 0.00 53.44 54.07 2k3m n ALA 106 Cb 0.00 -1.59 0.35 0.00 0.00 0.00 0.00 19.45 18.21 2k3m n ALA 106 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k3m n THR 107 N -0.20 0.21 -0.02 0.00 5.66 -1.26 -3.83 114.28 114.85 2k3m n THR 107 Ca 0.05 -0.41 0.04 0.00 -3.05 0.00 0.00 64.05 60.67 2k3m n THR 107 Cb 0.17 0.58 0.22 0.00 -1.55 0.00 0.00 70.33 69.75 2k3m n THR 107 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2k3m n VAL 108 N 0.58 1.49 0.12 1.08 0.31 -1.26 -4.04 118.33 116.61 2k3m n VAL 108 Ca 0.17 -0.75 0.08 0.00 -0.01 0.00 0.00 64.34 63.82 2k3m n VAL 108 Cb 0.40 -0.39 -0.11 0.00 -0.91 0.00 0.00 33.84 32.83 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 0.33 0.00 0.01 2.52 -5.35 -1.25 -4.63 119.36 110.99 2k3m n ILE 109 Ca 0.15 -0.31 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 2k3m n ILE 109 Cb 0.77 0.30 -0.06 0.00 -1.74 0.00 0.00 39.64 38.91 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 0.06 0.19 6.28 0.13 -1.87 0.26 132.00 137.04 2k3m h PRO 110 Ca 0.00 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2k3m h PRO 110 Cb 0.64 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2k3m h PRO 110 CO 0.00 0.04 -0.09 -0.97 -0.23 0.00 0.00 178.00 176.75 2k3m h ASN 111 N 0.06 -0.21 -1.03 1.44 -0.00 -1.88 0.15 115.58 114.11 2k3m h ASN 111 Ca 0.03 0.01 0.26 0.00 -0.00 0.00 0.00 56.30 56.60 2k3m h ASN 111 Cb 0.01 0.05 -0.11 0.00 -0.00 0.00 0.00 38.32 38.27 2k3m h ASN 111 CO -0.03 -0.08 0.63 -0.29 -0.00 0.00 0.00 177.43 177.66 2k3m h ILE 112 N -0.39 0.52 -0.50 2.57 2.10 -1.82 1.48 117.51 121.47 2k3m h ILE 112 Ca -0.03 -0.17 -0.12 0.00 1.08 0.00 0.00 64.86 65.63 2k3m h ILE 112 Cb 0.19 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 35.88 2k3m h ILE 112 CO 0.04 0.09 -0.14 -1.13 -1.08 0.00 0.00 178.15 175.93 2k3m h ASN 113 N 0.50 0.98 0.13 2.19 -0.00 -0.51 2.11 115.58 120.98 2k3m h ASN 113 Ca 0.63 -0.37 -0.01 0.00 -0.00 0.00 0.00 56.30 56.56 2k3m h ASN 113 Cb 1.37 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 39.42 2k3m h ASN 113 CO -0.42 1.13 -0.06 0.00 -0.00 0.00 0.00 177.43 178.08 2k3m h ALA 114 N 0.89 -0.18 0.00 1.57 0.00 0.44 -2.68 119.26 119.30 2k3m h ALA 114 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k3m h ALA 114 Cb 0.71 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 114 CO 0.05 -0.57 -0.00 0.00 0.00 0.00 0.00 179.25 178.73 2k3m h ALA 115 N 0.62 0.00 -0.61 0.00 0.00 0.18 -3.32 119.26 116.13 2k3m h ALA 115 Ca -0.02 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2k3m h ALA 115 Cb 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 2k3m h ALA 115 CO 0.03 0.00 -0.18 0.82 0.00 0.00 0.00 179.25 179.93 2k3m h ILE 116 N -1.00 0.35 -0.69 0.00 1.08 0.33 0.54 117.51 118.12 2k3m h ILE 116 Ca -0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2k3m h ILE 116 Cb 0.03 0.35 -0.11 0.00 -3.07 0.00 0.00 36.82 34.02 2k3m h ILE 116 CO -0.00 0.00 -0.52 1.05 -0.69 0.00 0.00 178.15 177.99 2k3m h GLU 117 N -0.03 -0.19 0.24 2.37 4.11 -1.50 2.37 114.58 121.95 2k3m h GLU 117 Ca 0.29 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.73 2k3m h GLU 117 Cb 0.47 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2k3m h GLU 117 CO -0.64 -0.12 -0.18 0.28 0.07 0.00 0.00 179.01 178.41 2k3m h VAL 118 N -0.19 0.61 0.00 -1.06 2.07 -0.94 0.76 116.25 117.49 2k3m h VAL 118 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2k3m h VAL 118 Cb 0.53 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k3m h VAL 118 CO -0.76 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 176.72 2k3m n LEU 119 N -5.31 0.00 0.00 2.57 0.00 0.17 -4.21 117.00 110.22 2k3m n LEU 119 Ca -0.09 0.91 0.00 0.00 0.00 0.00 0.00 56.01 56.84 2k3m n LEU 119 Cb 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 43.42 43.23 2k3m n LEU 119 CO 0.32 -0.41 0.17 0.61 0.00 0.00 0.00 177.39 178.08 2k3m n GLY 120 N -0.95 -0.92 0.00 -3.96 0.00 0.75 -5.01 105.19 95.11 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 -1.09 0.00 0.00 2.61 -1.04 0.26 -4.83 114.28 110.19 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3m n GLY 122 N 0.00 2.47 3.48 3.41 0.00 -1.26 -4.84 105.19 108.45 2k3m n GLY 122 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k3m n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 123 N -1.74 0.00 -3.79 2.61 5.66 -1.26 -4.65 114.28 111.11 2k3m n THR 123 Ca 0.00 -0.34 -0.05 0.00 -3.05 0.00 0.00 64.05 60.61 2k3m n THR 123 Cb 0.00 -1.40 -0.02 0.00 -1.55 0.00 0.00 70.33 67.36 2k3m n THR 123 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2k3m s ASP 124 N 6.88 -0.23 -0.05 1.09 1.01 -1.26 -4.96 116.67 119.15 2k3m s ASP 124 Ca 0.83 -0.48 -0.09 0.00 0.71 0.00 0.00 52.55 53.52 2k3m s ASP 124 Cb -0.20 0.60 0.02 0.00 1.01 0.00 0.00 42.92 44.34 2k3m s ASP 124 CO 0.18 -1.10 0.22 -0.47 0.21 0.00 0.00 175.17 174.21 2k3m s TYR 125 N -3.58 -0.16 -0.01 4.23 5.04 -1.26 -5.10 117.35 116.50 2k3m s TYR 125 Ca 0.11 0.35 -0.10 0.00 -2.44 0.00 0.00 57.07 54.99 2k3m s TYR 125 Cb -0.03 0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.33 2k3m s TYR 125 CO 0.04 -0.21 0.20 1.03 -1.34 0.00 0.00 175.55 175.26 2k3m s ARG 126 N -0.55 0.53 0.00 4.97 0.52 -1.26 -4.99 118.95 118.17 2k3m s ARG 126 Ca -0.07 -0.29 0.27 0.00 -0.52 0.00 0.00 55.73 55.13 2k3m s ARG 126 Cb -0.04 0.23 0.93 0.00 0.52 0.00 0.00 34.95 36.59 2k3m s ARG 126 CO 0.01 -0.13 1.68 0.34 0.02 0.00 0.00 175.30 177.22