#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 2.06 -2.81 7.83 7.64 -1.26 -4.88 113.62 122.21 2k3m n SER 2 Ca 0.00 -1.53 0.03 0.00 1.01 0.00 0.00 58.87 58.38 2k3m n SER 2 Cb 0.00 0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.30 2k3m n SER 2 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2k3m s ASP 3 N -1.32 -0.09 -0.05 6.43 -4.77 -1.26 -5.17 116.67 110.44 2k3m s ASP 3 Ca 0.16 -0.03 -0.17 0.00 -3.30 0.00 0.00 52.55 49.21 2k3m s ASP 3 Cb 0.12 0.37 0.03 0.00 -1.09 0.00 0.00 42.92 42.35 2k3m s ASP 3 CO 0.22 -0.01 0.39 0.12 0.70 0.00 0.00 175.17 176.58 2k3m s PHE 4 N 2.26 -0.31 0.02 2.11 2.19 -1.26 -5.17 117.98 117.81 2k3m s PHE 4 Ca 0.19 0.59 -0.24 0.00 0.33 0.00 0.00 56.93 57.80 2k3m s PHE 4 Cb 0.03 0.16 0.05 0.00 -1.31 0.00 0.00 43.02 41.95 2k3m s PHE 4 CO -0.18 -0.39 0.54 0.16 1.83 0.00 0.00 175.22 177.18 2k3m s ASP 5 N -0.96 -0.47 0.01 6.13 1.47 -1.26 -4.98 116.67 116.61 2k3m s ASP 5 Ca -0.10 0.30 0.00 0.00 1.18 0.00 0.00 52.55 53.93 2k3m s ASP 5 Cb -0.04 0.49 0.00 0.00 -0.34 0.00 0.00 42.92 43.03 2k3m s ASP 5 CO 0.04 -0.66 0.01 0.41 0.68 0.00 0.00 175.17 175.65 2k3m n THR 6 N 0.62 0.00 -0.34 2.11 -1.04 -1.26 -4.55 114.28 109.83 2k3m n THR 6 Ca -0.19 -0.04 0.03 0.00 -2.04 0.00 0.00 64.05 61.81 2k3m n THR 6 Cb 0.59 -0.86 0.18 0.00 -1.82 0.00 0.00 70.33 68.42 2k3m n THR 6 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2k3m h GLU 7 N 0.00 0.98 0.37 -2.82 4.81 -2.00 4.52 114.58 120.43 2k3m h GLU 7 Ca -0.01 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2k3m h GLU 7 Cb 0.03 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.19 2k3m h GLU 7 CO 0.01 0.65 -0.18 0.07 -0.73 0.00 0.00 179.01 178.83 2k3m h ARG 8 N 1.00 -0.48 -0.13 1.92 0.11 -1.94 0.32 114.38 115.18 2k3m h ARG 8 Ca 0.42 0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.53 2k3m h ARG 8 Cb 0.28 0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 2k3m h ARG 8 CO -0.21 -0.32 0.06 -0.39 0.10 0.00 0.00 179.97 179.21 2k3m h VAL 9 N -0.86 1.13 0.10 0.08 -1.51 -1.90 0.12 116.25 113.41 2k3m h VAL 9 Ca -0.05 -0.39 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 2k3m h VAL 9 Cb 0.38 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2k3m h VAL 9 CO 0.08 0.12 -0.05 0.28 -1.23 0.00 0.00 177.57 176.77 2k3m h SER 10 N 0.07 -0.12 -0.00 4.19 0.02 0.88 -2.78 113.55 115.81 2k3m h SER 10 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2k3m h SER 10 Cb 0.14 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2k3m h SER 10 CO -0.00 -0.05 -0.00 0.03 -1.14 0.00 0.00 176.83 175.66 2k3m h ARG 11 N -0.20 0.01 0.86 3.45 2.47 -0.36 2.83 114.38 123.44 2k3m h ARG 11 Ca -0.01 -0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 2k3m h ARG 11 Cb 0.11 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2k3m h ARG 11 CO 0.02 0.40 -0.41 0.00 0.56 0.00 0.00 179.97 180.54 2k3m h ALA 12 N 0.61 -1.16 0.04 0.04 0.00 0.11 2.76 119.26 121.67 2k3m h ALA 12 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k3m h ALA 12 Cb 0.39 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k3m h ALA 12 CO 0.00 -1.13 -0.02 -0.24 0.00 0.00 0.00 179.25 177.86 2k3m h VAL 13 N -1.19 0.96 0.53 0.00 3.04 -0.88 1.33 116.25 120.05 2k3m h VAL 13 Ca -0.12 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.55 2k3m h VAL 13 Cb 0.89 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2k3m h VAL 13 CO 0.19 0.00 -0.30 0.00 -1.01 0.00 0.00 177.57 176.46 2k3m h ALA 14 N 0.92 -1.16 -0.08 3.17 0.00 0.53 5.37 119.26 128.01 2k3m h ALA 14 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 14 Cb 0.04 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2k3m h ALA 14 CO 0.01 -1.12 -0.32 0.00 0.00 0.00 0.00 179.25 177.82 2k3m h ALA 15 N -1.53 -0.40 0.63 0.00 0.00 0.50 2.90 119.26 121.34 2k3m h ALA 15 Ca -0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 15 Cb 0.60 0.58 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k3m h ALA 15 CO 0.09 -0.81 -0.30 0.00 0.00 0.00 0.00 179.25 178.24 2k3m h ALA 16 N 0.36 -0.84 0.21 0.00 0.00 0.19 2.90 119.26 122.08 2k3m h ALA 16 Ca 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 16 Cb 0.54 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2k3m h ALA 16 CO -0.31 -0.86 -0.29 1.25 0.00 0.00 0.00 179.25 179.03 2k3m h LEU 17 N -1.06 -0.82 0.41 0.00 5.85 1.12 0.26 115.31 121.07 2k3m h LEU 17 Ca -0.09 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k3m h LEU 17 Cb 0.69 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2k3m h LEU 17 CO 0.14 -0.40 -0.19 -0.37 -0.34 0.00 0.00 178.44 177.27 2k3m h VAL 18 N -0.57 0.13 -0.77 1.05 -1.51 0.53 -3.37 116.25 111.73 2k3m h VAL 18 Ca 0.01 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2k3m h VAL 18 Cb 0.55 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 2k3m h VAL 18 CO -0.11 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 176.87 2k3m n GLY 19 N 0.29 -3.09 0.08 5.19 0.00 0.97 -4.88 105.19 103.74 2k3m n GLY 19 Ca -0.08 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.86 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 0.97 1.61 0.13 -1.76 -3.34 132.00 129.61 2k3m h PRO 20 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 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 0.68 -0.47 0.78 -0.23 0.00 0.00 178.00 178.76 2k3m h GLY 21 N 3.32 -1.36 0.66 1.56 0.00 -1.80 3.95 103.07 109.39 2k3m h GLY 21 Ca -0.14 0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.71 2k3m h GLY 21 CO 0.10 -0.50 -0.20 -1.33 0.00 0.00 0.00 176.54 174.61 2k3m h GLY 22 N -1.33 -0.36 1.27 4.60 0.00 -0.75 0.77 103.07 107.27 2k3m h GLY 22 Ca -0.13 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.52 2k3m h GLY 22 CO 0.22 -0.18 0.28 -2.08 0.00 0.00 0.00 176.54 174.78 2k3m h VAL 23 N -0.38 0.86 0.64 4.60 2.07 -1.20 -0.65 116.25 122.20 2k3m h VAL 23 Ca 0.03 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2k3m h VAL 23 Cb 0.40 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2k3m h VAL 23 CO -0.11 0.03 -0.34 0.00 0.02 0.00 0.00 177.57 177.17 2k3m h ALA 24 N 1.79 -1.22 -0.34 1.67 0.00 1.42 0.31 119.26 122.89 2k3m h ALA 24 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k3m h ALA 24 Cb 0.57 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2k3m h ALA 24 CO -0.02 -1.16 0.17 -0.07 0.00 0.00 0.00 179.25 178.16 2k3m h LEU 25 N -0.89 0.45 0.88 0.00 3.38 -0.79 0.28 115.31 118.61 2k3m h LEU 25 Ca -0.09 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2k3m h LEU 25 Cb 0.70 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2k3m h LEU 25 CO 0.12 0.44 -0.44 0.58 0.09 0.00 0.00 178.44 179.23 2k3m h VAL 26 N 0.42 0.10 -0.72 1.22 2.07 -1.13 0.66 116.25 118.87 2k3m h VAL 26 Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2k3m h VAL 26 Cb 0.11 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 2k3m h VAL 26 CO -0.02 0.00 0.44 1.62 0.02 0.00 0.00 177.57 179.64 2k3m h VAL 27 N -1.20 1.20 0.52 2.57 3.04 -0.36 0.52 116.25 122.54 2k3m h VAL 27 Ca -0.12 -0.43 -0.03 0.00 -1.01 0.00 0.00 66.70 65.12 2k3m h VAL 27 Cb 0.93 0.17 0.01 0.00 -2.01 0.00 0.00 31.29 30.39 2k3m h VAL 27 CO 0.18 0.21 -0.25 0.50 -1.01 0.00 0.00 177.57 177.20 2k3m h LYS 28 N 0.99 -0.68 -0.17 4.17 3.64 -0.18 0.53 116.57 124.88 2k3m h LYS 28 Ca 0.26 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2k3m h LYS 28 Cb -0.05 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2k3m h LYS 28 CO -0.05 -0.37 0.07 0.28 -2.27 0.00 0.00 179.45 177.11 2k3m h VAL 29 N -0.97 1.16 0.70 2.00 2.07 0.50 0.65 116.25 122.37 2k3m h VAL 29 Ca -0.07 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 2k3m h VAL 29 Cb 0.62 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2k3m h VAL 29 CO 0.12 0.15 -0.34 0.00 0.02 0.00 0.00 177.57 177.52 2k3m h ALA 31 N -1.34 0.38 -3.69 0.00 0.00 0.05 -3.47 119.26 111.19 2k3m h ALA 31 Ca -0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k3m h ALA 31 Cb 0.72 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.51 2k3m h ALA 31 CO 0.16 -0.25 -0.05 0.41 0.00 0.00 0.00 179.25 179.51 2k3m n GLY 32 N -1.20 -0.39 0.19 0.00 0.00 0.23 -4.84 105.19 99.18 2k3m n GLY 32 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k3m n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3m n LEU 33 N -1.39 -0.26 -0.39 0.99 4.77 -1.24 -4.87 117.00 114.62 2k3m n LEU 33 Ca -0.00 0.00 0.39 0.00 -0.03 0.00 0.00 56.01 56.36 2k3m n LEU 33 Cb 0.51 -0.13 0.75 0.00 -2.33 0.00 0.00 43.42 42.22 2k3m n LEU 33 CO 0.16 0.00 1.35 -0.65 -1.33 0.00 0.00 177.39 176.92 2k3m h PRO 34 N 0.00 0.00 0.94 3.23 0.11 -1.86 -1.95 132.00 132.47 2k3m h PRO 34 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 2k3m h PRO 34 Cb 0.02 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.14 2k3m h PRO 34 CO 0.00 0.00 -0.45 0.78 -0.21 0.00 0.00 178.00 178.12 2k3m h GLY 35 N 0.00 -1.32 -1.78 -0.55 0.00 -1.99 -3.44 103.07 93.99 2k3m h GLY 35 Ca 0.63 0.49 -0.48 0.00 0.00 0.00 0.00 47.33 47.97 2k3m h GLY 35 CO -0.01 -0.48 -0.08 0.54 0.00 0.00 0.00 176.54 176.52 2k3m s VAL 36 N -5.73 2.20 0.00 4.60 0.11 -0.73 -5.04 120.40 115.81 2k3m s VAL 36 Ca -0.18 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 57.93 2k3m s VAL 36 Cb 0.02 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 2k3m s VAL 36 CO 0.55 0.00 0.00 -0.38 -3.33 0.00 0.00 175.10 171.94 2k3m n ILE 37 N -2.30 0.00 -3.81 7.04 2.08 -1.26 -4.69 119.36 116.42 2k3m n ILE 37 Ca 0.15 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.33 2k3m n ILE 37 Cb 0.61 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.37 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 2k3m s HIS 38 N 0.00 -0.11 -0.15 1.39 3.76 -1.26 -5.05 115.29 113.86 2k3m s HIS 38 Ca 0.00 0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 55.04 2k3m s HIS 38 Cb 0.00 -0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.64 2k3m s HIS 38 CO 0.00 -0.08 0.49 0.99 -0.85 0.00 0.00 174.74 175.29 2k3m s THR 39 N 0.39 5.16 0.45 1.30 2.01 -1.26 -4.97 115.64 118.71 2k3m s THR 39 Ca -0.03 0.94 0.13 0.00 0.31 0.00 0.00 61.69 63.04 2k3m s THR 39 Cb -0.04 -3.82 0.20 0.00 0.01 0.00 0.00 72.50 68.85 2k3m s THR 39 CO -0.02 0.26 2.01 1.55 -0.69 0.00 0.00 174.62 177.74 2k3m h PRO 40 N 7.04 0.07 -3.67 4.92 0.13 -2.08 -3.37 132.00 135.04 2k3m h PRO 40 Ca -0.38 -0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 64.03 2k3m h PRO 40 Cb 1.17 -0.01 -0.34 0.00 0.13 0.00 0.00 31.00 31.95 2k3m h PRO 40 CO 0.75 0.19 -0.30 0.00 -0.23 0.00 0.00 178.00 178.41 2k3m s ALA 41 N -4.77 3.65 0.01 -0.56 0.00 -1.26 -5.03 121.76 113.79 2k3m s ALA 41 Ca -0.05 -3.23 0.00 0.00 0.00 0.00 0.00 51.96 48.68 2k3m s ALA 41 Cb 0.16 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 2k3m s ALA 41 CO 0.70 -2.12 -0.01 -0.98 0.00 0.00 0.00 175.76 173.35 2k3m s ARG 42 N 0.04 0.11 0.37 0.00 1.70 -1.26 -5.01 118.95 114.90 2k3m s ARG 42 Ca 0.17 -0.19 0.14 0.00 -0.47 0.00 0.00 55.73 55.37 2k3m s ARG 42 Cb -0.19 0.01 0.75 0.00 -0.57 0.00 0.00 34.95 34.96 2k3m s ARG 42 CO -0.04 -0.01 1.32 -0.09 -1.08 0.00 0.00 175.30 175.40 2k3m h ARG 43 N 5.69 0.00 0.00 3.89 2.43 -1.97 -3.43 114.38 121.00 2k3m h ARG 43 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2k3m h ARG 43 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2k3m h ARG 43 CO 0.48 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.35 2k3m n GLY 44 N -1.27 1.34 3.43 2.80 0.00 -1.26 -5.00 105.19 105.23 2k3m n GLY 44 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2k3m n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k3m s PHE 45 N -1.53 -0.31 0.00 1.61 -0.71 -1.26 -5.08 117.98 110.69 2k3m s PHE 45 Ca 0.00 0.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.91 2k3m s PHE 45 Cb 0.00 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.23 2k3m s PHE 45 CO 0.00 -0.83 0.00 1.97 -1.34 0.00 0.00 175.22 175.02 2k3m n PHE 46 N -0.32 0.00 -0.24 3.49 -1.74 -1.26 -5.12 117.46 112.27 2k3m n PHE 46 Ca -0.14 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.78 2k3m n PHE 46 Cb 0.64 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.62 2k3m n PHE 46 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2k3m n ARG 47 N 0.65 -0.55 -2.95 3.97 1.74 -1.26 -4.98 116.66 113.27 2k3m n ARG 47 Ca 0.00 0.44 -0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2k3m n ARG 47 Cb 0.00 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 -2.93 0.11 0.00 0.00 4.22 -1.26 -5.03 114.94 110.04 2k3m s ASN 49 Ca 0.00 -0.88 0.00 0.00 -2.14 0.00 0.00 52.86 49.85 2k3m s ASN 49 Cb -0.00 0.39 0.00 0.00 1.28 0.00 0.00 41.25 42.92 2k3m s ASN 49 CO 0.70 -0.82 0.67 -0.81 -2.04 0.00 0.00 177.10 174.79 2k3m n PRO 50 N -0.15 0.00 -3.47 3.55 -0.04 -1.26 -4.08 135.00 129.55 2k3m n PRO 50 Ca -0.09 -0.31 -0.25 0.00 -0.04 0.00 0.00 63.50 62.81 2k3m n PRO 50 Cb 0.63 -1.64 0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k3m n GLU 51 N 4.04 -5.10 -4.00 0.54 1.02 -1.26 -4.96 120.64 110.91 2k3m n GLU 51 Ca 0.00 0.69 -0.14 0.00 -0.02 0.00 0.00 57.16 57.69 2k3m n GLU 51 Cb 0.00 -5.55 -0.02 0.00 -0.02 0.00 0.00 31.44 25.86 2k3m n GLU 51 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2k3m s ARG 52 N -6.16 2.09 0.74 3.49 3.03 -1.26 -5.03 118.95 115.85 2k3m s ARG 52 Ca 0.48 -1.72 -0.10 0.00 2.03 0.00 0.00 55.73 56.42 2k3m s ARG 52 Cb -0.23 0.50 0.06 0.00 -1.03 0.00 0.00 34.95 34.25 2k3m s ARG 52 CO 0.59 -0.91 1.09 -1.50 -1.13 0.00 0.00 175.30 173.45 2k3m s ILE 53 N -2.64 2.45 -0.04 4.99 1.10 -1.26 -4.67 121.20 121.13 2k3m s ILE 53 Ca 0.26 -0.01 0.02 0.00 -0.51 0.00 0.00 60.65 60.41 2k3m s ILE 53 Cb -0.02 -3.11 0.01 0.00 0.15 0.00 0.00 42.46 39.49 2k3m s ILE 53 CO 0.19 -0.14 -0.08 -1.58 -2.11 0.00 0.00 174.94 171.23 2k3m s GLN 54 N -5.39 1.06 0.04 3.50 2.00 -1.26 -4.99 119.66 114.62 2k3m s GLN 54 Ca 0.60 -0.24 -0.07 0.00 -2.00 0.00 0.00 55.36 53.65 2k3m s GLN 54 Cb -0.11 -0.98 -0.01 0.00 0.80 0.00 0.00 33.01 32.72 2k3m s GLN 54 CO 0.48 0.01 0.13 -1.50 -0.50 0.00 0.00 175.29 173.91 2k3m s ILE 55 N 0.60 0.13 0.00 -2.34 2.07 -1.26 -4.87 121.20 115.52 2k3m s ILE 55 Ca -0.10 -1.03 0.00 0.00 -1.41 0.00 0.00 60.65 58.11 2k3m s ILE 55 Cb -0.13 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.54 2k3m s ILE 55 CO 0.01 -0.57 0.00 0.61 -1.91 0.00 0.00 174.94 173.08 2k3m n GLY 56 N 0.70 0.61 3.57 1.50 0.00 -1.26 -5.06 105.19 105.25 2k3m n GLY 56 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2k3m n GLY 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k3m s ASP 57 N -2.67 6.34 0.93 1.61 -1.08 -1.26 -5.07 116.67 115.48 2k3m s ASP 57 Ca 0.00 0.06 -0.11 0.00 -0.52 0.00 0.00 52.55 51.98 2k3m s ASP 57 Cb 0.00 -2.28 0.18 0.00 -1.46 0.00 0.00 42.92 39.36 2k3m s ASP 57 CO 0.00 -0.47 1.08 0.79 0.52 0.00 0.00 175.17 177.09 2k3m n TRP 58 N 5.75 -3.76 -0.10 -5.34 7.02 -1.26 -5.02 117.44 114.73 2k3m n TRP 58 Ca -0.04 -1.13 -0.15 0.00 -1.02 0.00 0.00 57.50 55.15 2k3m n TRP 58 Cb 0.49 -0.82 -0.06 0.00 -2.42 0.00 0.00 31.31 28.49 2k3m n TRP 58 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2k3m n ARG 59 N -3.23 0.53 0.00 -0.99 1.85 -1.26 -4.38 116.66 109.18 2k3m n ARG 59 Ca 0.14 0.41 0.13 0.00 -1.00 0.00 0.00 57.85 57.53 2k3m n ARG 59 Cb 0.50 -1.60 0.68 0.00 -1.05 0.00 0.00 32.46 30.99 2k3m n ARG 59 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2k3m n TYR 60 N -4.45 0.00 0.40 2.89 9.36 -1.26 -3.14 117.16 120.96 2k3m n TYR 60 Ca -0.25 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.10 2k3m n TYR 60 Cb 0.56 -0.20 0.37 0.00 -0.63 0.00 0.00 39.34 39.44 2k3m n TYR 60 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2k3m h GLU 61 N 0.00 0.00 -0.72 2.98 4.81 -1.99 -3.32 114.58 116.35 2k3m h GLU 61 Ca 0.00 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.38 2k3m h GLU 61 Cb 0.17 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.42 2k3m h GLU 61 CO 0.00 0.00 -0.12 0.28 -0.73 0.00 0.00 179.01 178.44 2k3m h VAL 62 N 0.00 0.31 -0.05 0.32 2.07 -1.79 2.47 116.25 119.59 2k3m h VAL 62 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k3m h VAL 62 Cb 0.75 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2k3m h VAL 62 CO 0.00 0.01 0.01 0.00 0.02 0.00 0.00 177.57 177.60 2k3m h ALA 63 N 1.70 0.06 0.51 1.67 0.00 -1.87 1.49 119.26 122.84 2k3m h ALA 63 Ca 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2k3m h ALA 63 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k3m h ALA 63 CO -0.71 -0.31 -0.43 1.25 0.00 0.00 0.00 179.25 179.06 2k3m h HIS 64 N -0.16 -1.17 0.29 0.00 6.17 0.23 -2.47 115.15 118.05 2k3m h HIS 64 Ca 0.01 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 2k3m h HIS 64 Cb 0.26 0.44 0.00 0.00 2.52 0.00 0.00 27.41 30.63 2k3m h HIS 64 CO 0.01 -0.59 -0.14 0.22 0.71 0.00 0.00 177.93 178.14 2k3m h ASP 65 N -0.92 -0.33 0.00 3.26 3.58 0.38 -3.01 116.42 119.39 2k3m h ASP 65 Ca -0.07 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2k3m h ASP 65 Cb 0.77 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2k3m h ASP 65 CO -0.00 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 2k3m n GLY 66 N -0.32 0.44 0.00 -0.78 0.00 0.51 -3.61 105.19 101.42 2k3m n GLY 66 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.01 2k3m n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3m n ARG 67 N 1.22 0.85 -0.47 1.61 1.74 -0.93 -4.11 116.66 116.57 2k3m n ARG 67 Ca 0.00 0.00 0.36 0.00 -0.77 0.00 0.00 57.85 57.44 2k3m n ARG 67 Cb 0.07 -1.29 0.56 0.00 -1.02 0.00 0.00 32.46 30.78 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k3m n LEU 68 N -0.79 0.03 0.21 0.55 -0.00 -1.24 0.37 117.00 116.13 2k3m n LEU 68 Ca 0.12 0.75 -0.08 0.00 -0.00 0.00 0.00 56.01 56.79 2k3m n LEU 68 Cb 0.05 -0.37 -0.04 0.00 -0.00 0.00 0.00 43.42 43.06 2k3m n LEU 68 CO 0.09 -0.76 0.43 0.17 -0.00 0.00 0.00 177.39 177.32 2k3m h LEU 69 N 0.00 -0.47 0.00 1.47 -0.00 -1.92 -1.48 115.31 112.91 2k3m h LEU 69 Ca 0.65 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.55 2k3m h LEU 69 Cb 2.54 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 43.32 2k3m h LEU 69 CO -0.07 -0.29 0.00 0.00 -0.00 0.00 0.00 178.44 178.08 2k3m n ALA 70 N -2.34 -0.05 0.00 0.17 0.00 1.19 -3.68 120.51 115.80 2k3m n ALA 70 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k3m n ALA 70 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.45 0.73 0.00 0.00 0.00 0.30 -4.37 120.51 115.71 2k3m n ALA 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3m n ALA 71 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.51 0.00 0.02 0.00 1.44 -0.56 0.25 115.22 115.86 2k3m n HIS 72 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 2k3m n HIS 72 Cb 0.00 -0.33 -0.14 0.00 0.12 0.00 0.00 29.99 29.64 2k3m n HIS 72 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k3m h MET 73 N 0.00 0.23 -0.99 -1.40 -0.00 -1.82 -3.35 114.93 107.59 2k3m h MET 73 Ca 0.00 -0.39 0.33 0.00 -0.00 0.00 0.00 59.70 59.64 2k3m h MET 73 Cb 0.00 0.15 -0.18 0.00 -0.00 0.00 0.00 31.60 31.57 2k3m h MET 73 CO 0.00 1.19 0.28 0.28 -0.00 0.00 0.00 176.91 178.65 2k3m h VAL 74 N -0.50 0.04 0.00 -0.10 2.07 0.30 0.78 116.25 118.84 2k3m h VAL 74 Ca -0.14 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2k3m h VAL 74 Cb 1.53 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2k3m h VAL 74 CO 0.10 0.01 0.82 -3.20 0.02 0.00 0.00 177.57 175.32 2k3m n ASN 75 N -5.36 0.00 0.28 0.57 2.85 -0.24 0.24 115.26 113.60 2k3m n ASN 75 Ca 0.30 0.40 0.14 0.00 -0.11 0.00 0.00 54.58 55.31 2k3m n ASN 75 Cb 0.99 0.00 0.65 0.00 1.24 0.00 0.00 39.78 42.65 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 0.45 8.20 0.00 0.31 -1.99 103.07 110.04 2k3m h GLY 76 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2k3m h GLY 76 CO 0.00 0.00 0.15 0.16 0.00 0.00 0.00 176.54 176.85 2k3m h ILE 77 N 0.00 0.78 0.00 2.60 3.07 0.28 -0.96 117.51 123.28 2k3m h ILE 77 Ca 0.05 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.35 2k3m h ILE 77 Cb 1.05 0.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 2k3m h ILE 77 CO -0.00 0.06 0.03 0.58 -1.05 0.00 0.00 178.15 177.77 2k3m h VAL 78 N 0.32 0.00 0.10 0.16 2.07 -1.61 0.48 116.25 117.76 2k3m h VAL 78 Ca 0.25 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.61 2k3m h VAL 78 Cb 0.30 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2k3m h VAL 78 CO -0.28 0.00 -0.72 0.16 0.02 0.00 0.00 177.57 176.75 2k3m h ILE 79 N 0.00 1.48 0.00 4.57 3.07 -1.35 -3.19 117.51 122.10 2k3m h ILE 79 Ca 0.00 -2.45 0.00 0.00 1.55 0.00 0.00 64.86 63.96 2k3m h ILE 79 Cb 0.07 3.13 0.00 0.00 -0.27 0.00 0.00 36.82 39.75 2k3m h ILE 79 CO 0.00 0.67 -0.39 0.00 -1.05 0.00 0.00 178.15 177.38 2k3m h ALA 80 N 0.01 0.79 -0.55 0.16 0.00 -1.24 -3.13 119.26 115.30 2k3m h ALA 80 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 80 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2k3m h ALA 80 CO 0.08 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.72 2k3m n GLU 81 N -2.73 0.00 0.22 0.00 1.02 0.16 -4.43 120.64 114.88 2k3m n GLU 81 Ca 0.03 0.31 0.15 0.00 -0.02 0.00 0.00 57.16 57.63 2k3m n GLU 81 Cb 0.51 -0.79 0.59 0.00 -0.02 0.00 0.00 31.44 31.73 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2k3m h ASP 82 N 0.00 0.00 -0.81 1.62 3.32 -1.75 -3.26 116.42 115.55 2k3m h ASP 82 Ca 0.00 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.20 2k3m h ASP 82 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 2k3m h ASP 82 CO 0.00 0.00 -0.22 0.00 -1.72 0.00 0.00 179.24 177.30 2k3m n ALA 83 N -1.98 0.14 -0.15 3.45 0.00 -1.18 -1.58 120.51 119.20 2k3m n ALA 83 Ca 0.01 0.87 0.06 0.00 0.00 0.00 0.00 53.44 54.39 2k3m n ALA 83 Cb 0.30 -0.50 0.12 0.00 0.00 0.00 0.00 19.45 19.37 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 -5.29 -0.06 -0.10 0.00 -0.00 -1.23 0.21 117.00 110.53 2k3m n LEU 84 Ca 0.12 0.75 -0.17 0.00 -0.00 0.00 0.00 56.01 56.71 2k3m n LEU 84 Cb 0.39 -0.27 -0.07 0.00 -0.00 0.00 0.00 43.42 43.47 2k3m n LEU 84 CO -0.10 -0.75 -0.78 -0.38 -0.00 0.00 0.00 177.39 175.38 2k3m n ILE 85 N -4.49 1.50 -0.33 1.96 5.41 -0.62 -4.36 119.36 118.43 2k3m n ILE 85 Ca 0.10 -0.03 0.26 0.00 1.00 0.00 0.00 62.75 64.08 2k3m n ILE 85 Cb 0.33 -2.15 0.51 0.00 -0.71 0.00 0.00 39.64 37.62 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 -0.87 2.02 -0.51 -1.39 0.00 -0.58 1.61 119.26 119.54 2k3m h ALA 86 Ca -0.29 0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.98 2k3m h ALA 86 Cb 1.14 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2k3m h ALA 86 CO -0.17 -0.69 0.38 1.49 0.00 0.00 0.00 179.25 180.26 2k3m h GLU 87 N 0.23 0.00 0.00 0.00 4.81 0.24 1.04 114.58 120.90 2k3m h GLU 87 Ca 0.77 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.00 2k3m h GLU 87 Cb 1.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.23 2k3m h GLU 87 CO -0.65 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 177.63 2k3m n ALA 88 N -2.62 2.16 -0.70 2.92 0.00 0.55 -3.12 120.51 119.70 2k3m n ALA 88 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 2k3m n ALA 88 Cb 0.60 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.64 2k3m n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3m n VAL 89 N -1.89 2.50 0.20 0.00 0.31 0.36 -4.50 118.33 115.31 2k3m n VAL 89 Ca 0.05 -1.28 0.18 0.00 -0.01 0.00 0.00 64.34 63.28 2k3m n VAL 89 Cb 0.35 -1.33 0.83 0.00 -0.91 0.00 0.00 33.84 32.78 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k3m h GLY 90 N 2.68 0.00 0.00 2.92 0.00 -1.68 -3.05 103.07 103.94 2k3m h GLY 90 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2k3m h GLY 90 CO 0.54 0.00 0.11 -1.05 0.00 0.00 0.00 176.54 176.14 2k3m n PRO 91 N -3.63 0.00 -0.20 4.80 -0.01 -1.26 -1.88 135.00 132.83 2k3m n PRO 91 Ca 0.02 0.00 0.28 0.00 -0.01 0.00 0.00 63.50 63.79 2k3m n PRO 91 Cb 0.38 -1.04 0.69 0.00 -0.01 0.00 0.00 33.50 33.53 2k3m n PRO 91 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 2k3m h HIS 92 N 0.00 0.09 0.80 6.00 -0.00 -1.86 0.24 115.15 120.41 2k3m h HIS 92 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 2k3m h HIS 92 Cb 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2k3m h HIS 92 CO 0.00 0.02 -0.41 1.37 -0.00 0.00 0.00 177.93 178.90 2k3m h LEU 93 N 0.06 -1.00 -0.45 0.26 8.10 -1.72 2.29 115.31 122.85 2k3m h LEU 93 Ca 0.44 0.04 0.09 0.00 0.11 0.00 0.00 57.88 58.56 2k3m h LEU 93 Cb 1.66 0.27 -0.10 0.00 -0.44 0.00 0.00 40.66 42.06 2k3m h LEU 93 CO -0.04 -0.68 -0.28 0.00 -4.11 0.00 0.00 178.44 173.33 2k3m h ALA 94 N -0.93 -0.03 -0.03 0.17 0.00 -0.86 4.05 119.26 121.62 2k3m h ALA 94 Ca -0.11 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2k3m h ALA 94 Cb 0.87 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2k3m h ALA 94 CO 0.16 -0.65 0.03 0.00 0.00 0.00 0.00 179.25 178.79 2k3m h ARG 95 N -0.19 0.00 0.22 0.00 -0.00 -0.90 -0.70 114.38 112.82 2k3m h ARG 95 Ca 0.20 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.67 2k3m h ARG 95 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.48 2k3m h ARG 95 CO -0.55 0.00 -0.13 0.00 0.00 0.00 0.00 179.97 179.28 2k3m h ALA 96 N 1.97 -0.33 -1.64 0.04 0.00 2.40 0.51 119.26 122.22 2k3m h ALA 96 Ca 0.02 -0.06 0.50 0.00 0.00 0.00 0.00 54.91 55.36 2k3m h ALA 96 Cb 0.08 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 2k3m h ALA 96 CO -0.00 -0.69 1.14 1.28 0.00 0.00 0.00 179.25 180.98 2k3m n LEU 97 N -5.25 0.07 -0.07 0.00 4.77 0.36 0.68 117.00 117.56 2k3m n LEU 97 Ca -0.09 1.04 -0.13 0.00 -0.03 0.00 0.00 56.01 56.81 2k3m n LEU 97 Cb 0.17 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 2k3m n LEU 97 CO 0.33 -1.08 0.14 1.23 -1.33 0.00 0.00 177.39 176.68 2k3m h GLY 98 N 0.00 0.00 0.04 -0.72 0.00 -0.50 -3.23 103.07 98.66 2k3m h GLY 98 Ca 0.85 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.18 2k3m h GLY 98 CO -0.16 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.32 2k3m n GLN 99 N -4.61 0.92 0.10 4.80 1.13 0.45 -3.60 117.38 116.58 2k3m n GLN 99 Ca -0.12 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.81 2k3m n GLN 99 Cb 0.42 -1.02 -0.07 0.00 0.11 0.00 0.00 30.24 29.68 2k3m n GLN 99 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 2k3m h ILE 100 N 0.00 0.83 0.49 5.09 2.10 2.23 0.24 117.51 128.49 2k3m h ILE 100 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 2k3m h ILE 100 Cb 0.00 0.83 -0.01 0.00 -1.09 0.00 0.00 36.82 36.55 2k3m h ILE 100 CO 0.00 0.00 -0.37 0.58 -1.08 0.00 0.00 178.15 177.28 2k3m h VAL 101 N -0.20 0.24 -0.46 2.19 2.07 -1.79 0.74 116.25 119.05 2k3m h VAL 101 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 2k3m h VAL 101 Cb 0.17 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2k3m h VAL 101 CO 0.01 0.00 0.84 0.00 0.02 0.00 0.00 177.57 178.44 2k3m n ARG 103 N -3.09 0.69 -0.84 0.00 0.63 0.76 -2.28 116.66 112.53 2k3m n ARG 103 Ca 0.10 0.34 0.03 0.00 -0.92 0.00 0.00 57.85 57.40 2k3m n ARG 103 Cb 1.00 -1.70 0.34 0.00 0.45 0.00 0.00 32.46 32.56 2k3m n ARG 103 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 2k3m n TYR 104 N -3.76 1.93 -0.38 -0.14 9.36 0.23 -4.51 117.16 119.89 2k3m n TYR 104 Ca -0.34 -0.93 0.00 0.00 3.32 0.00 0.00 57.90 59.95 2k3m n TYR 104 Cb 0.94 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 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 0.10 0.38 0.00 2.98 0.00 1.09 -4.89 105.19 104.86 2k3m n GLY 105 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2k3m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3m n ALA 106 N 0.00 0.00 0.94 4.61 0.00 -0.70 -4.51 120.51 120.85 2k3m n ALA 106 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2k3m n ALA 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k3m n ALA 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3m n THR 107 N 0.00 0.00 -0.07 0.00 -1.04 -1.26 -4.49 114.28 107.42 2k3m n THR 107 Ca 0.00 -0.30 -0.05 0.00 -2.04 0.00 0.00 64.05 61.66 2k3m n THR 107 Cb 0.00 1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 69.75 2k3m n THR 107 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2k3m h VAL 108 N 2.48 0.24 -0.87 12.58 -1.51 -1.97 -3.39 116.25 123.81 2k3m h VAL 108 Ca 0.00 -1.22 0.21 0.00 -1.23 0.00 0.00 66.70 64.46 2k3m h VAL 108 Cb 0.73 0.50 -0.12 0.00 -2.13 0.00 0.00 31.29 30.26 2k3m h VAL 108 CO 0.00 0.08 0.34 0.16 -1.23 0.00 0.00 177.57 176.92 2k3m h ILE 109 N -1.00 0.46 -1.16 7.19 3.07 -1.97 -2.60 117.51 121.50 2k3m h ILE 109 Ca -0.03 -0.12 0.44 0.00 1.55 0.00 0.00 64.86 66.69 2k3m h ILE 109 Cb 0.42 0.07 -0.16 0.00 -0.27 0.00 0.00 36.82 36.88 2k3m h ILE 109 CO -0.02 0.06 0.69 1.55 -1.05 0.00 0.00 178.15 179.38 2k3m h PRO 110 N 0.35 0.03 0.14 0.16 0.13 -1.79 1.42 132.00 132.44 2k3m h PRO 110 Ca 0.54 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.66 2k3m h PRO 110 Cb 1.02 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2k3m h PRO 110 CO -0.54 0.02 -0.07 -0.97 -0.23 0.00 0.00 178.00 176.21 2k3m h ASN 111 N 0.03 -0.16 0.46 1.44 -0.73 -1.72 -3.13 115.58 111.78 2k3m h ASN 111 Ca 0.85 0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.97 2k3m h ASN 111 Cb 2.45 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 41.07 2k3m h ASN 111 CO -0.63 -0.09 -0.30 0.16 -0.37 0.00 0.00 177.43 176.20 2k3m h ILE 112 N -0.22 0.99 0.44 2.57 3.07 -1.54 -3.17 117.51 119.64 2k3m h ILE 112 Ca -0.02 -1.10 -0.01 0.00 1.55 0.00 0.00 64.86 65.28 2k3m h ILE 112 Cb 0.14 1.63 -0.02 0.00 -0.27 0.00 0.00 36.82 38.30 2k3m h ILE 112 CO 0.03 0.29 -0.44 -1.13 -1.05 0.00 0.00 178.15 175.85 2k3m h ASN 113 N 0.00 -1.20 0.16 2.16 -1.24 0.19 0.76 115.58 116.41 2k3m h ASN 113 Ca -0.00 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 2k3m h ASN 113 Cb 0.61 0.40 -0.00 0.00 0.73 0.00 0.00 38.32 40.05 2k3m h ASN 113 CO 0.04 -0.58 -0.02 0.00 -1.29 0.00 0.00 177.43 175.58 2k3m h ALA 114 N -1.03 1.22 0.07 1.57 0.00 -1.59 -0.84 119.26 118.66 2k3m h ALA 114 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 114 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k3m h ALA 114 CO -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 179.25 179.19 2k3m h ALA 115 N 1.98 -0.10 -0.16 0.00 0.00 -1.11 -3.29 119.26 116.58 2k3m h ALA 115 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 115 Cb 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k3m h ALA 115 CO 0.00 -0.09 -0.13 0.82 0.00 0.00 0.00 179.25 179.85 2k3m h ILE 116 N -0.95 1.34 -0.13 0.00 2.04 0.56 -3.18 117.51 117.18 2k3m h ILE 116 Ca -0.01 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.61 2k3m h ILE 116 Cb 0.07 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2k3m h ILE 116 CO 0.02 0.37 -0.31 -0.33 0.00 0.00 0.00 178.15 177.90 2k3m h GLU 117 N 0.01 -0.28 0.00 2.37 5.08 -1.31 1.27 114.58 121.71 2k3m h GLU 117 Ca 0.03 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k3m h GLU 117 Cb 0.65 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2k3m h GLU 117 CO 0.03 -0.19 0.31 -0.24 -1.00 0.00 0.00 179.01 177.93 2k3m h VAL 118 N -0.29 0.00 0.13 3.13 3.04 -1.67 -0.48 116.25 120.11 2k3m h VAL 118 Ca 0.03 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.71 2k3m h VAL 118 Cb 0.37 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 2k3m h VAL 118 CO -0.28 0.00 -0.06 0.25 -1.01 0.00 0.00 177.57 176.47 2k3m h LEU 119 N 0.00 -0.15 0.00 3.16 6.46 0.16 -3.42 115.31 121.52 2k3m h LEU 119 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2k3m h LEU 119 Cb 0.63 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2k3m h LEU 119 CO 0.00 0.28 0.00 0.61 -0.62 0.00 0.00 178.44 178.71 2k3m n GLY 120 N 1.31 -0.46 0.00 3.75 0.00 -0.23 -4.95 105.19 104.61 2k3m n GLY 120 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.44 0.00 0.00 2.61 -1.04 -0.92 -5.01 114.28 109.47 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 2.65 1.96 3.41 0.00 -1.12 -4.86 105.19 107.22 2k3m n GLY 122 Ca 0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 0.00 -3.86 2.61 5.66 -1.26 -4.84 114.28 112.59 2k3m n THR 123 Ca 0.00 -0.14 -0.12 0.00 -3.05 0.00 0.00 64.05 60.74 2k3m n THR 123 Cb 0.00 -0.14 -0.12 0.00 -1.55 0.00 0.00 70.33 68.53 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 2.50 -0.04 -0.04 1.09 1.01 -1.26 -5.05 116.67 114.89 2k3m s ASP 124 Ca 0.75 0.02 -0.18 0.00 0.71 0.00 0.00 52.55 53.85 2k3m s ASP 124 Cb -0.59 0.23 0.03 0.00 1.01 0.00 0.00 42.92 43.60 2k3m s ASP 124 CO 0.30 -0.19 0.39 -0.72 0.21 0.00 0.00 175.17 175.16 2k3m s TYR 125 N -0.61 -0.30 0.01 4.23 1.13 -1.26 -5.17 117.35 115.37 2k3m s TYR 125 Ca -0.07 0.52 -0.15 0.00 -1.41 0.00 0.00 57.07 55.96 2k3m s TYR 125 Cb -0.04 0.16 0.02 0.00 -1.10 0.00 0.00 41.96 41.00 2k3m s TYR 125 CO 0.01 -0.41 0.31 0.50 -2.51 0.00 0.00 175.55 173.44 2k3m s ARG 126 N -1.14 0.73 0.00 -3.49 6.06 -1.26 -5.23 118.95 114.61 2k3m s ARG 126 Ca -0.12 -0.30 0.00 0.00 -2.50 0.00 0.00 55.73 52.81 2k3m s ARG 126 Cb -0.04 0.32 0.00 0.00 0.06 0.00 0.00 34.95 35.29 2k3m s ARG 126 CO 0.05 -0.21 0.00 1.97 -2.50 0.00 0.00 175.30 174.61