#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 3.41 0.00 7.83 3.41 -1.26 -4.86 113.62 122.15 2k3m n SER 2 Ca 0.00 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 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 -0.90 -0.16 0.00 0.00 175.04 173.98 2k3m n ASP 3 N 1.25 0.00 -3.75 4.04 5.68 -1.26 -5.18 116.55 117.33 2k3m n ASP 3 Ca 0.18 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.34 2k3m n ASP 3 Cb 0.55 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.43 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2k3m s PHE 4 N 0.00 -0.29 0.02 2.11 2.19 -1.26 -5.17 117.98 115.58 2k3m s PHE 4 Ca 0.00 0.60 -0.24 0.00 0.33 0.00 0.00 56.93 57.61 2k3m s PHE 4 Cb 0.00 0.13 0.06 0.00 -1.31 0.00 0.00 43.02 41.89 2k3m s PHE 4 CO 0.00 -0.32 0.56 0.16 1.83 0.00 0.00 175.22 177.45 2k3m s ASP 5 N -0.69 -0.50 1.03 6.13 1.47 -1.26 -5.11 116.67 117.75 2k3m s ASP 5 Ca -0.08 0.31 -0.16 0.00 1.18 0.00 0.00 52.55 53.80 2k3m s ASP 5 Cb -0.04 0.50 0.21 0.00 -0.34 0.00 0.00 42.92 43.26 2k3m s ASP 5 CO 0.03 -0.69 1.20 -0.89 0.68 0.00 0.00 175.17 175.50 2k3m s THR 6 N -2.10 1.86 0.08 2.11 2.01 -1.26 -4.57 115.64 113.77 2k3m s THR 6 Ca -0.07 0.00 -0.32 0.00 0.31 0.00 0.00 61.69 61.61 2k3m s THR 6 Cb -0.01 -2.75 -0.17 0.00 0.01 0.00 0.00 72.50 69.58 2k3m s THR 6 CO 0.01 0.00 1.63 1.05 -0.69 0.00 0.00 174.62 176.62 2k3m h GLU 7 N -1.94 -0.77 -0.30 4.92 4.11 -2.02 4.73 114.58 123.32 2k3m h GLU 7 Ca -0.46 0.05 0.07 0.00 0.07 0.00 0.00 59.36 59.09 2k3m h GLU 7 Cb 1.28 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.63 2k3m h GLU 7 CO 0.43 -0.51 -0.33 0.00 0.07 0.00 0.00 179.01 178.67 2k3m h ARG 8 N -0.79 -0.30 -0.27 1.06 3.08 -1.97 2.02 114.38 117.21 2k3m h ARG 8 Ca -0.06 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2k3m h ARG 8 Cb 0.64 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2k3m h ARG 8 CO 0.07 -0.20 0.09 0.28 -1.07 0.00 0.00 179.97 179.15 2k3m h VAL 9 N -0.31 1.19 0.35 2.04 2.07 -1.87 -1.29 116.25 118.44 2k3m h VAL 9 Ca 0.14 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2k3m h VAL 9 Cb 0.54 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2k3m h VAL 9 CO -0.47 0.20 -0.17 -1.28 0.02 0.00 0.00 177.57 175.87 2k3m h SER 10 N 0.28 -0.40 0.44 0.57 0.87 1.14 -2.25 113.55 114.20 2k3m h SER 10 Ca 0.09 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2k3m h SER 10 Cb 0.22 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2k3m h SER 10 CO -0.00 -0.12 -0.21 0.03 -0.53 0.00 0.00 176.83 175.99 2k3m h ARG 11 N -0.80 -0.57 -0.40 2.24 2.47 0.30 2.33 114.38 119.97 2k3m h ARG 11 Ca -0.05 0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.79 2k3m h ARG 11 Cb 0.36 0.13 -0.08 0.00 -1.65 0.00 0.00 29.97 28.73 2k3m h ARG 11 CO 0.08 -0.28 -0.14 0.00 0.56 0.00 0.00 179.97 180.18 2k3m h ALA 12 N -0.33 0.19 0.22 0.04 0.00 -1.18 2.42 119.26 120.62 2k3m h ALA 12 Ca -0.06 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k3m h ALA 12 Cb 0.54 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2k3m h ALA 12 CO 0.10 -0.50 -0.11 0.28 0.00 0.00 0.00 179.25 179.02 2k3m h VAL 13 N -0.06 0.79 0.66 0.00 2.07 -1.26 0.72 116.25 119.18 2k3m h VAL 13 Ca 0.19 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 2k3m h VAL 13 Cb 0.35 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2k3m h VAL 13 CO -0.44 0.01 -0.39 0.00 0.02 0.00 0.00 177.57 176.77 2k3m h ALA 14 N 0.44 -1.22 -0.04 1.67 0.00 0.59 3.02 119.26 123.73 2k3m h ALA 14 Ca -0.03 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2k3m h ALA 14 Cb 0.25 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2k3m h ALA 14 CO 0.05 -1.17 -0.34 0.00 0.00 0.00 0.00 179.25 177.79 2k3m h ALA 15 N -1.36 -0.48 0.45 0.00 0.00 0.40 2.13 119.26 120.41 2k3m h ALA 15 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 15 Cb 0.78 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2k3m h ALA 15 CO 0.10 -0.85 -0.22 0.00 0.00 0.00 0.00 179.25 178.28 2k3m h ALA 16 N 0.24 -0.61 0.22 0.00 0.00 0.53 2.64 119.26 122.29 2k3m h ALA 16 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 16 Cb 0.58 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2k3m h ALA 16 CO -0.30 -0.81 -0.20 1.25 0.00 0.00 0.00 179.25 179.19 2k3m h LEU 17 N -0.67 -0.54 0.37 0.00 6.46 0.59 1.48 115.31 123.00 2k3m h LEU 17 Ca -0.06 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2k3m h LEU 17 Cb 0.50 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2k3m h LEU 17 CO 0.10 -0.31 -0.18 -0.37 -0.62 0.00 0.00 178.44 177.07 2k3m h VAL 18 N -0.45 0.45 -0.40 1.05 -1.51 0.35 -3.37 116.25 112.38 2k3m h VAL 18 Ca -0.01 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2k3m h VAL 18 Cb 0.41 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 2k3m h VAL 18 CO -0.03 0.09 0.00 0.61 -1.23 0.00 0.00 177.57 177.01 2k3m n GLY 19 N -0.04 -2.57 0.06 5.19 0.00 0.88 -4.89 105.19 103.82 2k3m n GLY 19 Ca -0.09 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.53 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 0.83 1.61 0.13 -1.74 -3.34 132.00 129.50 2k3m h PRO 20 Ca 0.00 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 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 0.99 -0.40 0.78 -0.23 0.00 0.00 178.00 179.14 2k3m h GLY 21 N 2.98 -1.17 0.93 1.56 0.00 -1.81 1.95 103.07 107.50 2k3m h GLY 21 Ca -0.01 0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 2k3m h GLY 21 CO 0.13 -0.42 -0.31 -1.33 0.00 0.00 0.00 176.54 174.60 2k3m h GLY 22 N -1.12 -0.87 1.53 4.60 0.00 0.19 -1.00 103.07 106.39 2k3m h GLY 22 Ca -0.11 0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.57 2k3m h GLY 22 CO 0.19 -0.32 0.30 -0.39 0.00 0.00 0.00 176.54 176.32 2k3m h VAL 23 N -0.82 1.10 0.64 4.60 -1.51 -1.45 0.12 116.25 118.94 2k3m h VAL 23 Ca -0.07 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 65.17 2k3m h VAL 23 Cb 0.65 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 2k3m h VAL 23 CO 0.10 0.11 -0.43 0.00 -1.23 0.00 0.00 177.57 176.12 2k3m h ALA 24 N 1.72 -1.20 -0.45 5.19 0.00 0.40 0.14 119.26 125.06 2k3m h ALA 24 Ca 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k3m h ALA 24 Cb -0.03 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2k3m h ALA 24 CO -0.04 -1.18 0.15 -0.07 0.00 0.00 0.00 179.25 178.11 2k3m h LEU 25 N -1.01 0.64 0.94 0.00 4.07 -0.89 0.98 115.31 120.04 2k3m h LEU 25 Ca -0.09 -0.20 -0.05 0.00 0.08 0.00 0.00 57.88 57.63 2k3m h LEU 25 Cb 0.82 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 42.40 2k3m h LEU 25 CO 0.06 0.67 -0.45 0.58 -1.08 0.00 0.00 178.44 178.22 2k3m h VAL 26 N 0.58 0.04 -0.93 1.22 2.07 -0.71 0.28 116.25 118.81 2k3m h VAL 26 Ca 0.14 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2k3m h VAL 26 Cb 0.25 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 2k3m h VAL 26 CO -0.01 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.78 2k3m h VAL 27 N -1.30 1.24 0.32 2.57 2.07 -0.76 0.74 116.25 121.13 2k3m h VAL 27 Ca -0.13 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2k3m h VAL 27 Cb 0.97 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2k3m h VAL 27 CO 0.21 0.23 -0.15 0.50 0.02 0.00 0.00 177.57 178.38 2k3m h LYS 28 N 1.25 -0.41 -0.12 1.57 3.64 -0.73 0.31 116.57 122.09 2k3m h LYS 28 Ca 0.34 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2k3m h LYS 28 Cb -0.14 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2k3m h LYS 28 CO -0.07 -0.11 0.04 0.28 -2.27 0.00 0.00 179.45 177.32 2k3m h VAL 29 N -0.72 1.18 0.66 2.00 2.07 -0.24 0.64 116.25 121.83 2k3m h VAL 29 Ca -0.04 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2k3m h VAL 29 Cb 0.49 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2k3m h VAL 29 CO 0.07 0.16 -0.32 0.00 0.02 0.00 0.00 177.57 177.50 2k3m h ALA 31 N -1.36 -0.32 -2.31 0.00 0.00 -0.43 -3.49 119.26 111.34 2k3m h ALA 31 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k3m h ALA 31 Cb 0.68 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k3m h ALA 31 CO 0.15 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.26 2k3m n GLY 32 N -0.52 -0.30 2.01 0.00 0.00 0.22 -4.76 105.19 101.85 2k3m n GLY 32 Ca -0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.47 -4.15 0.00 0.99 4.32 -1.26 -4.64 117.00 111.80 2k3m n LEU 33 Ca 0.00 1.23 0.00 0.00 -0.02 0.00 0.00 56.01 57.22 2k3m n LEU 33 Cb 0.08 -2.17 0.00 0.00 -1.62 0.00 0.00 43.42 39.71 2k3m n LEU 33 CO 0.00 -2.00 0.51 -0.81 -1.22 0.00 0.00 177.39 173.86 2k3m n PRO 34 N 0.88 0.00 0.50 3.23 -0.04 -1.26 -2.61 135.00 135.71 2k3m n PRO 34 Ca -0.19 0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.21 2k3m n PRO 34 Cb 0.30 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.78 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 0.00 -1.34 0.00 0.55 0.00 -1.98 -3.44 103.07 96.86 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 1.55 0.00 0.00 0.00 176.54 177.60 2k3m n VAL 36 N -5.63 0.00 -1.95 4.60 3.14 -1.07 -4.95 118.33 112.47 2k3m n VAL 36 Ca -0.16 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.20 2k3m n VAL 36 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 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 0.00 -4.56 -4.04 1.55 -0.00 -1.26 -5.03 119.36 106.02 2k3m n ILE 37 Ca 0.00 0.17 -0.20 0.00 -0.00 0.00 0.00 62.75 62.71 2k3m n ILE 37 Cb 0.00 -4.90 -0.17 0.00 -0.00 0.00 0.00 39.64 34.58 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2k3m s HIS 38 N -1.98 0.69 0.03 1.39 3.76 -1.26 -5.12 115.29 112.80 2k3m s HIS 38 Ca 0.05 -0.18 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 2k3m s HIS 38 Cb -0.01 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 2k3m s HIS 38 CO 0.24 -0.22 -0.02 0.95 -0.85 0.00 0.00 174.74 174.84 2k3m s THR 39 N 1.19 3.96 0.37 1.30 -4.23 -1.26 -5.02 115.64 111.94 2k3m s THR 39 Ca -0.07 -0.80 0.26 0.00 -1.18 0.00 0.00 61.69 59.90 2k3m s THR 39 Cb -0.14 -2.80 0.27 0.00 1.34 0.00 0.00 72.50 71.18 2k3m s THR 39 CO -0.02 0.28 2.02 1.55 -0.54 0.00 0.00 174.62 177.92 2k3m h PRO 40 N 4.05 0.00 -4.73 3.99 0.13 -2.09 -3.41 132.00 129.94 2k3m h PRO 40 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 2k3m h PRO 40 Cb 1.17 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.97 2k3m h PRO 40 CO 0.57 0.15 -0.83 0.00 -0.23 0.00 0.00 178.00 177.66 2k3m s ALA 41 N -4.11 1.46 0.08 -0.56 0.00 -1.26 -5.13 121.76 112.23 2k3m s ALA 41 Ca -0.02 -0.54 -0.25 0.00 0.00 0.00 0.00 51.96 51.15 2k3m s ALA 41 Cb 0.13 -0.62 0.07 0.00 0.00 0.00 0.00 23.12 22.70 2k3m s ALA 41 CO 0.60 0.16 0.61 0.50 0.00 0.00 0.00 175.76 177.62 2k3m s ARG 42 N 0.58 1.17 0.00 0.00 3.00 -1.26 -4.98 118.95 117.45 2k3m s ARG 42 Ca -0.15 -0.21 0.00 0.00 -1.00 0.00 0.00 55.73 54.37 2k3m s ARG 42 Cb -0.16 0.54 0.00 0.00 0.00 0.00 0.00 34.95 35.33 2k3m s ARG 42 CO 0.05 -0.46 0.09 -2.13 0.00 0.00 0.00 175.30 172.85 2k3m n ARG 43 N 0.15 0.15 0.00 5.12 3.00 -1.26 -4.67 116.66 119.15 2k3m n ARG 43 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 2k3m n ARG 43 Cb 0.62 -1.06 0.00 0.00 0.00 0.00 0.00 32.46 32.02 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 2.19 3.37 5.14 0.00 -1.26 -4.86 105.19 110.03 2k3m n GLY 44 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.23 -0.36 0.00 1.61 0.40 -1.26 -5.11 117.98 113.03 2k3m s PHE 45 Ca 0.00 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.61 2k3m s PHE 45 Cb 0.00 0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.86 2k3m s PHE 45 CO 0.00 -0.67 0.00 1.19 0.70 0.00 0.00 175.22 176.44 2k3m n PHE 46 N 0.18 0.00 0.00 0.36 3.01 -1.26 -5.09 117.46 114.67 2k3m n PHE 46 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2k3m n PHE 46 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 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 -1.85 -1.08 1.74 -1.26 -5.10 116.66 109.11 2k3m n ARG 47 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k3m s ASN 49 N -2.17 1.14 0.00 0.00 4.22 -1.26 -5.04 114.94 111.83 2k3m s ASN 49 Ca 0.00 0.06 -0.04 0.00 -2.14 0.00 0.00 52.86 50.74 2k3m s ASN 49 Cb -0.00 0.22 -0.05 0.00 1.28 0.00 0.00 41.25 42.70 2k3m s ASN 49 CO 0.17 -0.28 0.56 -2.65 -2.04 0.00 0.00 177.10 172.86 2k3m n PRO 50 N 5.32 0.00 -2.24 3.55 -0.02 -1.26 -2.99 135.00 137.36 2k3m n PRO 50 Ca -0.05 -0.25 -0.19 0.00 -2.02 0.00 0.00 63.50 60.99 2k3m n PRO 50 Cb 0.50 -1.44 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 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 4.04 -1.48 -3.99 -0.52 4.71 -1.26 -4.98 120.64 117.15 2k3m n GLU 51 Ca 0.06 0.95 -0.35 0.00 -0.01 0.00 0.00 57.16 57.81 2k3m n GLU 51 Cb 0.11 -5.47 -0.08 0.00 -1.01 0.00 0.00 31.44 24.99 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 -4.74 3.70 0.34 3.49 0.52 -1.16 -5.06 118.95 116.04 2k3m s ARG 52 Ca 0.00 -0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 2k3m s ARG 52 Cb 0.00 -3.17 -0.12 0.00 0.52 0.00 0.00 34.95 32.19 2k3m s ARG 52 CO 0.00 0.49 1.44 1.51 0.02 0.00 0.00 175.30 178.75 2k3m n ILE 53 N 2.88 1.72 -1.88 1.52 3.06 -1.26 -4.80 119.36 120.60 2k3m n ILE 53 Ca -0.18 -0.43 -0.23 0.00 -2.50 0.00 0.00 62.75 59.42 2k3m n ILE 53 Cb 0.53 -1.79 -0.08 0.00 0.54 0.00 0.00 39.64 38.84 2k3m n ILE 53 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 2k3m s GLN 54 N -1.57 1.95 0.08 9.51 -0.21 -1.26 -4.80 119.66 123.36 2k3m s GLN 54 Ca 0.57 -0.84 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 2k3m s GLN 54 Cb -0.53 -5.13 0.01 0.00 1.00 0.00 0.00 33.01 28.37 2k3m s GLN 54 CO 0.59 -4.60 0.26 0.42 -2.12 0.00 0.00 175.29 169.85 2k3m s ILE 55 N 13.49 0.11 0.00 1.08 1.01 -1.26 -4.92 121.20 130.70 2k3m s ILE 55 Ca 0.74 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2k3m s ILE 55 Cb -0.03 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.29 2k3m s ILE 55 CO 0.15 -0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.21 2k3m n GLY 56 N 0.16 0.81 3.55 6.18 0.00 -1.26 -5.05 105.19 109.57 2k3m n GLY 56 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2k3m n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k3m s ASP 57 N -1.42 6.15 0.70 1.61 1.01 -1.26 -4.99 116.67 118.48 2k3m s ASP 57 Ca 0.00 -0.59 -0.05 0.00 0.71 0.00 0.00 52.55 52.62 2k3m s ASP 57 Cb 0.00 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.45 2k3m s ASP 57 CO 0.00 -1.83 0.98 0.26 0.21 0.00 0.00 175.17 174.80 2k3m s TRP 58 N 5.88 2.51 -0.11 4.23 0.52 -1.26 -5.06 118.94 125.66 2k3m s TRP 58 Ca 0.40 0.18 -0.02 0.00 0.02 0.00 0.00 56.10 56.68 2k3m s TRP 58 Cb -0.07 -3.14 -0.01 0.00 -1.15 0.00 0.00 33.47 29.10 2k3m s TRP 58 CO 0.10 -1.46 -0.04 0.00 0.02 0.00 0.00 176.95 175.57 2k3m h ARG 59 N -0.53 0.00 0.00 4.98 -0.00 -2.01 -3.37 114.38 113.44 2k3m h ARG 59 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.06 2k3m h ARG 59 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.26 2k3m h ARG 59 CO 0.52 0.00 -0.82 0.98 0.00 0.00 0.00 179.97 180.65 2k3m n TYR 60 N -4.62 0.33 0.64 3.04 9.36 -1.26 -4.00 117.16 120.65 2k3m n TYR 60 Ca -0.02 0.10 0.13 0.00 3.32 0.00 0.00 57.90 61.43 2k3m n TYR 60 Cb 0.06 -0.48 0.41 0.00 -0.63 0.00 0.00 39.34 38.70 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 -1.95 0.25 -0.18 2.98 2.13 -1.26 -4.09 120.64 118.53 2k3m n GLU 61 Ca 0.03 0.20 -0.06 0.00 0.66 0.00 0.00 57.16 57.99 2k3m n GLU 61 Cb 0.42 -1.79 -0.00 0.00 0.27 0.00 0.00 31.44 30.34 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 0.19 -0.09 6.31 -1.51 -1.73 2.21 116.25 121.62 2k3m h VAL 62 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 2k3m h VAL 62 Cb 0.73 0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.07 2k3m h VAL 62 CO 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 176.32 2k3m h ALA 63 N 0.92 0.12 0.05 5.19 0.00 -1.86 3.90 119.26 127.58 2k3m h ALA 63 Ca 0.21 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k3m h ALA 63 Cb 0.55 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2k3m h ALA 63 CO -0.64 -0.15 -0.45 1.25 0.00 0.00 0.00 179.25 179.25 2k3m h HIS 64 N -0.16 -1.29 0.05 0.00 6.17 -1.22 0.54 115.15 119.24 2k3m h HIS 64 Ca 0.02 0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.14 2k3m h HIS 64 Cb 0.43 0.56 0.00 0.00 2.52 0.00 0.00 27.41 30.91 2k3m h HIS 64 CO 0.05 -0.53 -0.02 -0.44 0.71 0.00 0.00 177.93 177.70 2k3m h ASP 65 N -0.64 -0.05 0.00 3.26 5.19 0.36 -3.10 116.42 121.43 2k3m h ASP 65 Ca 0.03 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 2k3m h ASP 65 Cb 0.69 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2k3m h ASP 65 CO -0.30 0.65 0.00 0.61 -3.12 0.00 0.00 179.24 177.09 2k3m n GLY 66 N 0.98 1.06 0.00 2.75 0.00 1.29 -3.17 105.19 108.10 2k3m n GLY 66 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 0.50 0.59 -0.37 1.61 1.74 0.19 -4.04 116.66 116.87 2k3m n ARG 67 Ca 0.00 0.00 0.28 0.00 -0.77 0.00 0.00 57.85 57.36 2k3m n ARG 67 Cb 0.23 -1.14 0.43 0.00 -1.02 0.00 0.00 32.46 30.97 2k3m n ARG 67 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k3m n LEU 68 N -0.64 0.00 0.18 0.55 4.77 -1.19 0.19 117.00 120.86 2k3m n LEU 68 Ca 0.04 0.53 -0.07 0.00 -0.03 0.00 0.00 56.01 56.48 2k3m n LEU 68 Cb 0.02 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2k3m n LEU 68 CO 0.03 -0.53 0.45 -0.07 -1.33 0.00 0.00 177.39 175.95 2k3m h LEU 69 N 0.00 -0.39 0.00 2.23 4.07 -1.92 -1.69 115.31 117.60 2k3m h LEU 69 Ca 0.50 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.47 2k3m h LEU 69 Cb 1.99 0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.83 2k3m h LEU 69 CO -0.01 -0.26 0.00 0.00 -1.08 0.00 0.00 178.44 177.09 2k3m n ALA 70 N -2.27 -0.01 0.00 1.53 0.00 0.50 -3.79 120.51 116.48 2k3m n ALA 70 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k3m n ALA 70 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.16 0.48 -0.03 0.00 0.00 -0.14 -4.21 120.51 115.46 2k3m n ALA 71 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 71 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.37 -0.03 -0.05 0.00 -0.00 -0.64 0.64 115.22 114.78 2k3m n HIS 72 Ca 0.00 0.10 -0.12 0.00 0.46 0.00 0.00 57.72 58.16 2k3m n HIS 72 Cb 0.00 -0.28 -0.06 0.00 -0.12 0.00 0.00 29.99 29.53 2k3m n HIS 72 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k3m h MET 73 N 0.00 0.26 -0.99 1.57 -0.00 -1.84 -3.15 114.93 110.78 2k3m h MET 73 Ca 0.01 -0.09 0.35 0.00 -0.00 0.00 0.00 59.70 59.97 2k3m h MET 73 Cb 0.03 -0.02 -0.17 0.00 -0.00 0.00 0.00 31.60 31.45 2k3m h MET 73 CO -0.07 0.52 0.46 0.28 -0.00 0.00 0.00 176.91 178.10 2k3m h VAL 74 N -0.03 0.14 0.00 -0.10 2.07 -0.09 -1.16 116.25 117.08 2k3m h VAL 74 Ca 0.04 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k3m h VAL 74 Cb 0.41 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2k3m h VAL 74 CO 0.01 0.02 0.42 -3.20 0.02 0.00 0.00 177.57 174.84 2k3m n ASN 75 N -5.21 0.00 0.17 0.57 2.85 0.69 -0.21 115.26 114.12 2k3m n ASN 75 Ca 0.33 0.08 0.16 0.00 -0.11 0.00 0.00 54.58 55.04 2k3m n ASN 75 Cb 1.07 0.00 0.60 0.00 1.24 0.00 0.00 39.78 42.69 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 0.23 8.20 0.00 -1.47 0.20 103.07 110.23 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 -0.11 0.16 0.00 0.00 0.00 176.54 176.59 2k3m h ILE 77 N 0.00 0.02 -1.35 2.60 3.07 -0.88 -1.17 117.51 119.80 2k3m h ILE 77 Ca 0.14 -0.79 0.40 0.00 1.55 0.00 0.00 64.86 66.16 2k3m h ILE 77 Cb 1.38 0.04 -0.07 0.00 -0.27 0.00 0.00 36.82 37.91 2k3m h ILE 77 CO -0.00 0.01 0.96 0.52 -1.05 0.00 0.00 178.15 178.59 2k3m n VAL 78 N -4.98 -0.04 -0.06 0.16 0.31 0.68 0.43 118.33 114.83 2k3m n VAL 78 Ca -0.04 1.12 -0.09 0.00 -0.01 0.00 0.00 64.34 65.32 2k3m n VAL 78 Cb 0.12 -1.87 -0.15 0.00 -0.91 0.00 0.00 33.84 31.04 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2k3m n ILE 79 N -3.53 1.48 0.93 2.52 -5.35 -1.13 -4.25 119.36 110.03 2k3m n ILE 79 Ca 0.32 -0.83 0.13 0.00 -0.27 0.00 0.00 62.75 62.10 2k3m n ILE 79 Cb 1.40 -0.72 0.37 0.00 -1.74 0.00 0.00 39.64 38.95 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 -2.65 3.03 -0.01 -1.28 0.00 1.46 -2.19 120.51 118.87 2k3m n ALA 80 Ca -0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 53.44 52.94 2k3m n ALA 80 Cb 1.10 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 0.00 0.00 0.00 5.08 0.17 -3.38 114.58 116.45 2k3m h GLU 81 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3m h GLU 81 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k3m h GLU 81 CO 0.00 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.61 2k3m n ASP 82 N -2.46 0.66 -0.05 1.42 5.75 -1.26 -4.11 116.55 116.50 2k3m n ASP 82 Ca -0.00 0.61 0.02 0.00 -0.01 0.00 0.00 54.79 55.41 2k3m n ASP 82 Cb 0.01 -0.77 0.04 0.00 -1.03 0.00 0.00 41.12 39.37 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3m n ALA 83 N -1.75 0.07 -0.42 2.12 0.00 -0.93 0.18 120.51 119.78 2k3m n ALA 83 Ca 0.04 0.17 0.36 0.00 0.00 0.00 0.00 53.44 54.00 2k3m n ALA 83 Cb 0.32 -0.12 0.60 0.00 0.00 0.00 0.00 19.45 20.26 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 -4.01 0.19 -0.12 0.00 0.00 -1.26 0.29 117.00 112.09 2k3m n LEU 84 Ca 0.03 1.25 -0.22 0.00 0.00 0.00 0.00 56.01 57.07 2k3m n LEU 84 Cb 0.11 -0.61 -0.12 0.00 0.00 0.00 0.00 43.42 42.80 2k3m n LEU 84 CO -0.01 -1.36 -1.30 2.30 0.00 0.00 0.00 177.39 177.02 2k3m n ILE 85 N -4.51 1.53 0.26 1.96 -5.35 0.13 -4.15 119.36 109.23 2k3m n ILE 85 Ca 0.36 -0.51 -0.17 0.00 -0.27 0.00 0.00 62.75 62.17 2k3m n ILE 85 Cb 1.39 -1.60 -0.08 0.00 -1.74 0.00 0.00 39.64 37.61 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m h ALA 86 N -0.28 -0.88 0.00 -1.28 0.00 -0.29 -1.56 119.26 114.97 2k3m h ALA 86 Ca -0.59 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2k3m h ALA 86 Cb 1.81 0.55 0.00 0.00 0.00 0.00 0.00 17.79 20.15 2k3m h ALA 86 CO -0.17 -1.03 0.00 -1.91 0.00 0.00 0.00 179.25 176.14 2k3m n GLU 87 N -5.50 0.97 -0.00 0.00 2.13 0.83 -2.35 120.64 116.72 2k3m n GLU 87 Ca -0.11 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.73 2k3m n GLU 87 Cb 0.39 -1.18 -0.03 0.00 0.27 0.00 0.00 31.44 30.89 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 0.34 2.29 -1.34 4.31 0.00 -0.60 -4.55 120.51 120.95 2k3m n ALA 88 Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 2k3m n ALA 88 Cb 0.40 -0.13 0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.40 3.58 -0.05 0.00 0.24 -0.99 -4.61 118.33 115.10 2k3m n VAL 89 Ca -0.00 -2.88 -0.14 0.00 -2.04 0.00 0.00 64.34 59.28 2k3m n VAL 89 Cb 0.08 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 31.32 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 1.93 0.88 0.65 7.63 0.00 -1.80 -2.90 103.07 109.45 2k3m h GLY 90 Ca 0.61 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k3m h GLY 90 CO 1.54 0.95 0.43 -1.05 0.00 0.00 0.00 176.54 178.42 2k3m n PRO 91 N -3.99 0.03 0.24 4.80 -0.02 -1.26 0.73 135.00 135.54 2k3m n PRO 91 Ca -0.05 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 61.95 2k3m n PRO 91 Cb 0.64 -2.04 0.77 0.00 -0.02 0.00 0.00 33.50 32.86 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 0.58 6.00 2.07 -1.89 -0.78 115.15 121.13 2k3m h HIS 92 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2k3m h HIS 92 Cb 0.87 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.85 2k3m h HIS 92 CO 0.00 0.00 -0.28 1.37 -3.07 0.00 0.00 177.93 175.95 2k3m h LEU 93 N 0.00 -0.66 0.10 6.12 8.10 0.04 2.01 115.31 131.02 2k3m h LEU 93 Ca 0.00 -0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.00 2k3m h LEU 93 Cb 0.21 0.17 -0.03 0.00 -0.44 0.00 0.00 40.66 40.58 2k3m h LEU 93 CO 0.00 -0.26 -0.20 0.00 -4.11 0.00 0.00 178.44 173.86 2k3m h ALA 94 N -1.11 -0.33 0.54 0.17 0.00 -1.42 -0.53 119.26 116.58 2k3m h ALA 94 Ca -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 94 Cb 0.62 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k3m h ALA 94 CO 0.13 -0.73 -0.38 0.00 0.00 0.00 0.00 179.25 178.27 2k3m h ARG 95 N -0.38 -0.86 0.00 0.00 3.08 -1.29 0.70 114.38 115.63 2k3m h ARG 95 Ca 0.03 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2k3m h ARG 95 Cb 0.40 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2k3m h ARG 95 CO -0.11 -0.57 0.39 0.00 -1.07 0.00 0.00 179.97 178.60 2k3m n ALA 96 N -2.63 0.38 0.00 0.04 0.00 0.68 -4.32 120.51 114.67 2k3m n ALA 96 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k3m n ALA 96 Cb 0.40 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.55 0.00 0.11 0.00 7.94 0.24 0.31 117.00 124.06 2k3m n LEU 97 Ca -0.00 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.09 2k3m n LEU 97 Cb 0.39 0.00 0.63 0.00 0.53 0.00 0.00 43.42 44.97 2k3m n LEU 97 CO 0.02 0.00 1.17 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 -1.85 6.12 103.07 105.38 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 -0.40 4.80 7.50 0.47 0.10 115.11 127.58 2k3m h GLN 99 Ca 0.19 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.28 2k3m h GLN 99 Cb 1.47 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.98 2k3m h GLN 99 CO -0.00 0.00 -0.02 0.97 -1.50 0.00 0.00 178.83 178.28 2k3m h ILE 100 N 0.00 1.26 0.34 2.54 6.09 1.24 -2.72 117.51 126.26 2k3m h ILE 100 Ca 0.00 -1.04 0.00 0.00 -1.37 0.00 0.00 64.86 62.45 2k3m h ILE 100 Cb 0.17 1.14 -0.03 0.00 0.47 0.00 0.00 36.82 38.57 2k3m h ILE 100 CO 0.00 0.35 -0.44 1.62 -3.07 0.00 0.00 178.15 176.61 2k3m h VAL 101 N 0.55 0.12 -0.09 2.19 3.04 -1.00 0.39 116.25 121.45 2k3m h VAL 101 Ca 0.11 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.83 2k3m h VAL 101 Cb 0.50 0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 29.90 2k3m h VAL 101 CO 0.02 0.00 0.78 0.00 -1.01 0.00 0.00 177.57 177.37 2k3m n ARG 103 N -2.72 0.66 -0.76 0.00 3.00 1.00 -3.12 116.66 114.71 2k3m n ARG 103 Ca 0.01 0.35 0.02 0.00 -0.00 0.00 0.00 57.85 58.24 2k3m n ARG 103 Cb 0.83 -1.67 0.30 0.00 0.00 0.00 0.00 32.46 31.92 2k3m n ARG 103 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2k3m n TYR 104 N -3.87 1.67 -0.45 -0.14 4.11 0.12 -4.65 117.16 113.95 2k3m n TYR 104 Ca -0.37 -1.03 0.00 0.00 -0.00 0.00 0.00 57.90 56.50 2k3m n TYR 104 Cb 0.90 -0.49 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k3m n GLY 105 N -0.24 0.42 1.13 -7.48 0.00 1.54 -4.89 105.19 95.66 2k3m n GLY 105 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2k3m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3m n ALA 106 N 0.00 0.00 1.19 4.61 0.00 -0.52 -4.43 120.51 121.35 2k3m n ALA 106 Ca 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.39 2k3m n ALA 106 Cb 0.01 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.84 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 1.30 0.16 -0.07 0.00 5.66 -1.26 -3.95 114.28 116.11 2k3m n THR 107 Ca 0.00 -0.38 -0.06 0.00 -3.05 0.00 0.00 64.05 60.56 2k3m n THR 107 Cb 0.08 0.59 -0.03 0.00 -1.55 0.00 0.00 70.33 69.42 2k3m n THR 107 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2k3m h VAL 108 N 2.75 0.30 -0.62 1.08 2.07 -1.98 -3.41 116.25 116.44 2k3m h VAL 108 Ca 0.00 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.14 2k3m h VAL 108 Cb 0.59 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2k3m h VAL 108 CO 0.00 0.10 0.02 -0.29 0.02 0.00 0.00 177.57 177.42 2k3m h ILE 109 N -1.00 1.26 -0.69 4.57 2.10 -1.96 -3.30 117.51 118.50 2k3m h ILE 109 Ca -0.04 -1.13 0.15 0.00 1.08 0.00 0.00 64.86 64.91 2k3m h ILE 109 Cb 0.47 0.77 -0.12 0.00 -1.09 0.00 0.00 36.82 36.85 2k3m h ILE 109 CO -0.03 0.42 0.02 1.55 -1.08 0.00 0.00 178.15 179.03 2k3m h PRO 110 N 0.99 0.12 0.23 2.19 0.13 -1.79 1.76 132.00 135.63 2k3m h PRO 110 Ca 0.18 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 2k3m h PRO 110 Cb 0.54 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2k3m h PRO 110 CO 0.03 0.08 -0.11 -0.97 -0.23 0.00 0.00 178.00 176.80 2k3m h ASN 111 N 0.13 -0.26 -1.01 1.44 -1.24 -1.78 -2.47 115.58 110.39 2k3m h ASN 111 Ca 0.37 0.01 0.23 0.00 0.71 0.00 0.00 56.30 57.62 2k3m h ASN 111 Cb 0.63 0.07 -0.12 0.00 0.73 0.00 0.00 38.32 39.62 2k3m h ASN 111 CO -0.58 -0.15 0.60 0.40 -1.29 0.00 0.00 177.43 176.41 2k3m h ILE 112 N -0.38 0.58 -0.60 2.57 1.08 -1.61 0.66 117.51 119.81 2k3m h ILE 112 Ca -0.03 -0.22 0.12 0.00 -0.39 0.00 0.00 64.86 64.34 2k3m h ILE 112 Cb 0.24 -0.10 -0.12 0.00 -3.07 0.00 0.00 36.82 33.77 2k3m h ILE 112 CO 0.05 0.11 -0.21 -1.13 -0.69 0.00 0.00 178.15 176.29 2k3m h ASN 113 N 0.63 -0.74 0.11 1.72 -0.73 0.28 1.86 115.58 118.72 2k3m h ASN 113 Ca 0.63 0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.97 2k3m h ASN 113 Cb 1.14 0.44 -0.00 0.00 0.27 0.00 0.00 38.32 40.17 2k3m h ASN 113 CO -0.45 -0.24 -0.11 0.00 -0.37 0.00 0.00 177.43 176.27 2k3m h ALA 114 N 1.44 1.80 0.13 1.57 0.00 -0.39 0.14 119.26 123.95 2k3m h ALA 114 Ca 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2k3m h ALA 114 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k3m h ALA 114 CO -0.65 0.14 -0.06 0.00 0.00 0.00 0.00 179.25 178.68 2k3m h ALA 115 N 1.89 -0.18 -0.50 0.00 0.00 0.24 -3.11 119.26 117.60 2k3m h ALA 115 Ca -0.00 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2k3m h ALA 115 Cb 0.19 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 2k3m h ALA 115 CO 0.01 -0.17 -0.13 0.97 0.00 0.00 0.00 179.25 179.94 2k3m h ILE 116 N -1.00 0.49 -0.80 0.00 6.09 0.16 0.33 117.51 122.77 2k3m h ILE 116 Ca -0.02 0.00 0.12 0.00 -1.37 0.00 0.00 64.86 63.59 2k3m h ILE 116 Cb 0.13 0.49 -0.13 0.00 0.47 0.00 0.00 36.82 37.79 2k3m h ILE 116 CO 0.03 0.00 -0.42 -0.33 -3.07 0.00 0.00 178.15 174.36 2k3m h GLU 117 N -0.00 -0.10 0.24 2.19 5.08 -0.86 2.22 114.58 123.36 2k3m h GLU 117 Ca 0.24 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2k3m h GLU 117 Cb 0.37 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2k3m h GLU 117 CO -0.52 -0.06 -0.16 0.28 -1.00 0.00 0.00 179.01 177.55 2k3m h VAL 118 N -0.10 0.65 0.00 3.13 2.07 -0.83 0.79 116.25 121.96 2k3m h VAL 118 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2k3m h VAL 118 Cb 0.55 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2k3m h VAL 118 CO -0.84 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 176.64 2k3m n LEU 119 N -5.29 0.00 0.00 2.57 -0.00 0.30 -4.12 117.00 110.47 2k3m n LEU 119 Ca -0.09 0.87 0.00 0.00 -0.00 0.00 0.00 56.01 56.79 2k3m n LEU 119 Cb 0.20 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 2k3m n LEU 119 CO 0.33 -0.37 0.21 0.61 -0.00 0.00 0.00 177.39 178.16 2k3m n GLY 120 N -0.92 -1.82 0.00 -3.96 0.00 0.67 -5.00 105.19 94.16 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 -0.65 0.00 0.00 2.61 -1.04 0.27 -4.87 114.28 110.61 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 2.50 3.49 3.41 0.00 -1.26 -4.80 105.19 108.53 2k3m n GLY 122 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.58 0.00 -3.86 2.61 5.66 -1.26 -4.59 114.28 111.26 2k3m n THR 123 Ca 0.00 -0.18 -0.04 0.00 -3.05 0.00 0.00 64.05 60.78 2k3m n THR 123 Cb 0.00 -1.64 0.02 0.00 -1.55 0.00 0.00 70.33 67.16 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 7.47 -0.01 -0.03 1.09 1.01 -1.26 -4.74 116.67 120.19 2k3m s ASP 124 Ca 0.75 -0.70 -0.02 0.00 0.71 0.00 0.00 52.55 53.28 2k3m s ASP 124 Cb -0.09 0.54 0.01 0.00 1.01 0.00 0.00 42.92 44.38 2k3m s ASP 124 CO 0.16 -1.06 0.07 -0.47 0.21 0.00 0.00 175.17 174.08 2k3m s TYR 125 N -2.28 -0.07 -0.02 4.23 5.04 -1.26 -5.09 117.35 117.89 2k3m s TYR 125 Ca 0.20 0.18 -0.09 0.00 -2.44 0.00 0.00 57.07 54.92 2k3m s TYR 125 Cb -0.03 0.02 0.01 0.00 0.35 0.00 0.00 41.96 42.32 2k3m s TYR 125 CO 0.06 -0.04 0.20 1.03 -1.34 0.00 0.00 175.55 175.45 2k3m s ARG 126 N 0.00 0.49 0.00 4.97 1.81 -1.26 -4.96 118.95 120.00 2k3m s ARG 126 Ca -0.00 -0.22 0.19 0.00 -1.72 0.00 0.00 55.73 53.98 2k3m s ARG 126 Cb -0.01 0.21 1.13 0.00 -0.45 0.00 0.00 34.95 35.83 2k3m s ARG 126 CO 0.00 -0.12 1.52 1.97 -0.68 0.00 0.00 175.30 178.00