#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 1.58 0.00 3.17 3.41 -1.26 -4.85 113.62 115.68 2k3m n SER 2 Ca 0.00 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 2k3m n SER 2 Cb 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.27 0.00 -3.75 4.04 8.00 -1.26 -5.18 116.55 118.67 2k3m n ASP 3 Ca 0.16 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.53 2k3m n ASP 3 Cb 0.31 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.32 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 -0.28 -0.06 1.24 5.36 -1.26 -5.17 117.98 117.81 2k3m s PHE 4 Ca 0.00 0.58 -0.14 0.00 -0.96 0.00 0.00 56.93 56.40 2k3m s PHE 4 Cb 0.00 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.82 2k3m s PHE 4 CO 0.00 -0.30 0.33 -0.51 -1.46 0.00 0.00 175.22 173.28 2k3m s ASP 5 N -0.66 -0.26 0.00 6.13 1.01 -1.26 -4.96 116.67 116.67 2k3m s ASP 5 Ca -0.08 0.32 0.00 0.00 0.71 0.00 0.00 52.55 53.50 2k3m s ASP 5 Cb -0.04 0.46 0.00 0.00 1.01 0.00 0.00 42.92 44.35 2k3m s ASP 5 CO 0.03 -0.34 0.00 0.41 0.21 0.00 0.00 175.17 175.48 2k3m n THR 6 N 1.83 0.00 -0.08 -1.27 -1.04 -1.26 -4.44 114.28 108.02 2k3m n THR 6 Ca -0.19 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.75 2k3m n THR 6 Cb 0.57 -0.18 -0.00 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.18 0.53 -2.82 4.22 -1.99 5.36 114.58 120.07 2k3m h GLU 7 Ca 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 2k3m h GLU 7 Cb 0.00 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2k3m h GLU 7 CO 0.00 0.12 -0.26 -0.09 -2.18 0.00 0.00 179.01 176.61 2k3m h ARG 8 N 0.19 -0.69 0.09 1.92 2.43 -1.95 0.84 114.38 117.20 2k3m h ARG 8 Ca 0.13 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2k3m h ARG 8 Cb 0.12 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2k3m h ARG 8 CO -0.16 -0.40 -0.04 0.28 -1.51 0.00 0.00 179.97 178.14 2k3m h VAL 9 N -1.08 1.07 0.32 0.20 2.07 -1.88 0.25 116.25 117.19 2k3m h VAL 9 Ca -0.07 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2k3m h VAL 9 Cb 0.61 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2k3m h VAL 9 CO 0.12 0.14 -0.15 0.28 0.02 0.00 0.00 177.57 177.98 2k3m h SER 10 N -0.38 -0.36 -0.10 0.57 0.02 1.07 -0.81 113.55 113.56 2k3m h SER 10 Ca -0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k3m h SER 10 Cb 0.32 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 2k3m h SER 10 CO 0.02 -0.12 0.03 -0.09 -1.14 0.00 0.00 176.83 175.53 2k3m h ARG 11 N -0.71 0.16 0.44 3.45 2.43 0.11 2.78 114.38 123.03 2k3m h ARG 11 Ca -0.04 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2k3m h ARG 11 Cb 0.33 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2k3m h ARG 11 CO 0.07 0.31 -0.21 0.00 -1.51 0.00 0.00 179.97 178.63 2k3m h ALA 12 N 0.85 -0.59 0.35 2.80 0.00 0.93 0.49 119.26 124.08 2k3m h ALA 12 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2k3m h ALA 12 Cb 0.21 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k3m h ALA 12 CO -0.00 -0.58 -0.17 0.28 0.00 0.00 0.00 179.25 178.78 2k3m h VAL 13 N -1.09 0.67 0.60 0.00 2.07 0.36 0.39 116.25 119.25 2k3m h VAL 13 Ca -0.06 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2k3m h VAL 13 Cb 0.52 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2k3m h VAL 13 CO 0.10 0.06 -0.29 0.00 0.02 0.00 0.00 177.57 177.46 2k3m h ALA 14 N -0.04 -1.04 0.20 1.67 0.00 0.54 0.79 119.26 121.38 2k3m h ALA 14 Ca -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2k3m h ALA 14 Cb 0.45 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2k3m h ALA 14 CO 0.08 -0.99 -0.33 0.00 0.00 0.00 0.00 179.25 178.01 2k3m h ALA 15 N -1.50 -0.63 0.51 0.00 0.00 0.26 1.70 119.26 119.60 2k3m h ALA 15 Ca -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k3m h ALA 15 Cb 0.62 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k3m h ALA 15 CO 0.14 -0.90 -0.24 0.00 0.00 0.00 0.00 179.25 178.24 2k3m h ALA 16 N -0.03 -0.68 0.15 0.00 0.00 -0.04 2.35 119.26 121.01 2k3m h ALA 16 Ca 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 16 Cb 0.61 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2k3m h ALA 16 CO -0.14 -0.73 -0.23 1.25 0.00 0.00 0.00 179.25 179.39 2k3m h LEU 17 N -0.99 -0.65 0.35 0.00 6.46 0.97 0.34 115.31 121.79 2k3m h LEU 17 Ca -0.07 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2k3m h LEU 17 Cb 0.61 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2k3m h LEU 17 CO 0.11 -0.33 -0.17 -0.37 -0.62 0.00 0.00 178.44 177.07 2k3m h VAL 18 N -0.45 0.32 -1.18 1.05 -1.51 0.27 -3.37 116.25 111.37 2k3m h VAL 18 Ca 0.02 -0.72 -0.05 0.00 -1.23 0.00 0.00 66.70 64.72 2k3m h VAL 18 Cb 0.46 0.51 0.03 0.00 -2.13 0.00 0.00 31.29 30.16 2k3m h VAL 18 CO -0.11 0.07 -0.02 0.61 -1.23 0.00 0.00 177.57 176.89 2k3m n GLY 19 N 0.28 -3.37 0.14 5.19 0.00 0.79 -4.85 105.19 103.37 2k3m n GLY 19 Ca -0.08 -1.11 0.03 0.00 0.00 0.00 0.00 46.02 44.87 2k3m n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3m h PRO 20 N 0.00 0.00 0.66 1.61 0.13 -1.75 -3.30 132.00 129.35 2k3m h PRO 20 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2k3m h PRO 20 Cb 0.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.32 2k3m h PRO 20 CO 0.03 0.41 -0.32 0.78 -0.23 0.00 0.00 178.00 178.68 2k3m h GLY 21 N 3.59 -0.93 0.30 1.56 0.00 -1.80 3.08 103.07 108.87 2k3m h GLY 21 Ca -0.03 0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.71 2k3m h GLY 21 CO 0.05 -0.34 -0.17 -1.33 0.00 0.00 0.00 176.54 174.76 2k3m h GLY 22 N -1.05 -0.02 1.33 4.60 0.00 -0.57 1.38 103.07 108.73 2k3m h GLY 22 Ca -0.09 0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.54 2k3m h GLY 22 CO 0.15 -0.17 0.26 -2.08 0.00 0.00 0.00 176.54 174.70 2k3m h VAL 23 N -0.16 0.86 0.73 4.60 2.07 -1.25 -1.60 116.25 121.49 2k3m h VAL 23 Ca 0.13 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 2k3m h VAL 23 Cb 0.36 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2k3m h VAL 23 CO -0.33 0.02 -0.43 0.00 0.02 0.00 0.00 177.57 176.85 2k3m h ALA 24 N 1.82 -1.24 -0.63 1.67 0.00 1.61 0.25 119.26 122.74 2k3m h ALA 24 Ca 0.17 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2k3m h ALA 24 Cb 0.57 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2k3m h ALA 24 CO -0.02 -1.20 0.36 -0.07 0.00 0.00 0.00 179.25 178.33 2k3m h LEU 25 N -1.08 0.56 0.85 0.00 4.07 -0.77 -0.01 115.31 118.93 2k3m h LEU 25 Ca -0.10 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 2k3m h LEU 25 Cb 0.86 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2k3m h LEU 25 CO 0.11 0.38 -0.48 0.58 -1.08 0.00 0.00 178.44 177.94 2k3m h VAL 26 N 0.69 0.00 -0.84 1.22 2.07 -1.14 -0.33 116.25 117.92 2k3m h VAL 26 Ca 0.27 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.83 2k3m h VAL 26 Cb 0.11 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 2k3m h VAL 26 CO -0.15 0.00 0.54 0.58 0.02 0.00 0.00 177.57 178.56 2k3m h VAL 27 N -1.23 1.12 0.26 2.57 2.07 -0.35 0.37 116.25 121.07 2k3m h VAL 27 Ca -0.12 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2k3m h VAL 27 Cb 0.97 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2k3m h VAL 27 CO 0.14 0.19 -0.13 0.07 0.02 0.00 0.00 177.57 177.87 2k3m h LYS 28 N 1.04 -0.34 0.07 1.57 5.09 -0.94 0.38 116.57 123.44 2k3m h LYS 28 Ca 0.34 0.02 -0.00 0.00 0.09 0.00 0.00 60.65 61.10 2k3m h LYS 28 Cb 0.03 0.08 0.00 0.00 0.10 0.00 0.00 32.23 32.43 2k3m h LYS 28 CO -0.12 0.01 -0.03 0.28 -2.09 0.00 0.00 179.45 177.49 2k3m h VAL 29 N -0.77 0.95 0.52 0.07 2.07 -0.98 0.54 116.25 118.66 2k3m h VAL 29 Ca -0.04 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2k3m h VAL 29 Cb 0.50 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2k3m h VAL 29 CO 0.06 0.02 -0.25 0.00 0.02 0.00 0.00 177.57 177.41 2k3m h ALA 31 N -1.50 0.08 -3.67 0.00 0.00 -0.28 -3.48 119.26 110.41 2k3m h ALA 31 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k3m h ALA 31 Cb 0.54 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k3m h ALA 31 CO 0.12 -0.50 -0.01 0.41 0.00 0.00 0.00 179.25 179.27 2k3m n GLY 32 N -1.21 -0.58 1.14 0.00 0.00 0.19 -4.73 105.19 100.00 2k3m n GLY 32 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k3m n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k3m n LEU 33 N -1.19 -1.53 0.12 0.99 7.94 -1.25 -4.77 117.00 117.32 2k3m n LEU 33 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 2k3m n LEU 33 Cb 0.48 -0.76 0.12 0.00 0.53 0.00 0.00 43.42 43.80 2k3m n LEU 33 CO 0.15 0.00 0.70 -2.65 -1.11 0.00 0.00 177.39 174.48 2k3m n PRO 34 N 0.09 0.04 0.37 1.96 -0.02 -1.26 -2.30 135.00 133.88 2k3m n PRO 34 Ca 0.00 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.75 2k3m n PRO 34 Cb 0.00 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 2k3m n PRO 34 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2k3m h GLY 35 N 0.00 -1.00 0.00 -1.23 0.00 -1.96 -3.44 103.07 95.44 2k3m h GLY 35 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2k3m h GLY 35 CO 0.00 -0.36 0.00 3.33 0.00 0.00 0.00 176.54 179.51 2k3m n VAL 36 N -4.90 0.00 -2.08 4.60 0.24 -0.97 -4.92 118.33 110.30 2k3m n VAL 36 Ca -0.12 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.16 2k3m n VAL 36 Cb 0.38 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 2k3m n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k3m n ILE 37 N 0.00 -5.24 -3.95 1.34 0.00 -1.26 -5.01 119.36 105.23 2k3m n ILE 37 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 62.75 62.74 2k3m n ILE 37 Cb 0.00 -5.13 -0.16 0.00 0.00 0.00 0.00 39.64 34.35 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 -2.27 0.30 -0.19 9.51 3.76 -1.26 -5.12 115.29 120.03 2k3m s HIS 38 Ca 0.05 -0.01 -0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2k3m s HIS 38 Cb -0.02 -0.36 0.05 0.00 1.11 0.00 0.00 32.58 33.37 2k3m s HIS 38 CO 0.31 -0.10 -0.04 -0.08 -0.85 0.00 0.00 174.74 173.97 2k3m s THR 39 N 0.79 1.17 0.03 1.30 -1.32 -1.26 -5.06 115.64 111.29 2k3m s THR 39 Ca -0.08 -0.80 -0.06 0.00 -1.21 0.00 0.00 61.69 59.53 2k3m s THR 39 Cb -0.11 -1.41 -0.02 0.00 -1.51 0.00 0.00 72.50 69.45 2k3m s THR 39 CO -0.01 0.02 1.11 -0.65 -2.21 0.00 0.00 174.62 172.87 2k3m h PRO 40 N 8.08 -0.03 -6.41 7.08 0.11 -2.06 -3.39 132.00 135.38 2k3m h PRO 40 Ca -0.21 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.36 2k3m h PRO 40 Cb 1.10 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2k3m h PRO 40 CO 0.40 -0.02 0.62 0.00 -0.21 0.00 0.00 178.00 178.78 2k3m s ALA 41 N -4.20 3.43 0.04 -0.75 0.00 -1.26 -4.92 121.76 114.10 2k3m s ALA 41 Ca -0.03 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 2k3m s ALA 41 Cb 0.02 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 19.76 2k3m s ALA 41 CO 0.12 -0.57 1.21 -0.98 0.00 0.00 0.00 175.76 175.54 2k3m s ARG 42 N 1.55 0.64 0.00 0.00 1.70 -1.26 -4.97 118.95 116.61 2k3m s ARG 42 Ca 0.58 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 2k3m s ARG 42 Cb -0.27 0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.30 2k3m s ARG 42 CO 0.26 -0.30 0.10 -2.13 -1.08 0.00 0.00 175.30 172.15 2k3m n ARG 43 N -0.69 0.18 0.00 3.89 3.00 -1.26 -4.67 116.66 117.10 2k3m n ARG 43 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2k3m n ARG 43 Cb 0.60 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.98 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 0.35 1.29 3.46 5.14 0.00 -1.26 -4.76 105.19 109.41 2k3m n GLY 44 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.10 -0.49 0.00 1.61 -0.12 -1.26 -5.12 117.98 112.49 2k3m s PHE 45 Ca 0.00 0.26 0.00 0.00 -0.05 0.00 0.00 56.93 57.14 2k3m s PHE 45 Cb 0.00 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 2k3m s PHE 45 CO 0.00 -0.88 0.00 1.19 -0.05 0.00 0.00 175.22 175.48 2k3m n PHE 46 N -0.38 0.00 0.00 3.49 3.72 -1.26 -5.11 117.46 117.91 2k3m n PHE 46 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2k3m n PHE 46 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 2k3m n PHE 46 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2k3m n ARG 47 N 0.00 0.00 -2.47 -1.08 0.63 -1.26 -5.05 116.66 107.42 2k3m n ARG 47 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k3m s ASN 49 N -2.46 0.89 0.00 0.00 6.03 -1.26 -5.03 114.94 113.10 2k3m s ASN 49 Ca 0.05 -0.72 0.00 0.00 -1.03 0.00 0.00 52.86 51.16 2k3m s ASN 49 Cb -0.01 0.07 0.00 0.00 -3.03 0.00 0.00 41.25 38.28 2k3m s ASN 49 CO 0.49 -0.32 0.78 -0.81 -2.03 0.00 0.00 177.10 175.21 2k3m n PRO 50 N 0.89 0.00 0.00 3.55 -0.04 -1.26 -4.43 135.00 133.72 2k3m n PRO 50 Ca -0.19 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 2k3m n PRO 50 Cb 0.57 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 4.19 0.00 -1.53 0.54 1.02 -1.26 -4.89 120.64 118.71 2k3m n GLU 51 Ca 0.00 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.65 2k3m n GLU 51 Cb 0.00 -1.08 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 2k3m n GLU 51 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k3m n ARG 52 N 0.00 0.81 -1.65 3.49 1.74 -1.26 -4.70 116.66 115.08 2k3m n ARG 52 Ca 0.00 0.29 -0.53 0.00 -0.77 0.00 0.00 57.85 56.84 2k3m n ARG 52 Cb 0.00 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 2k3m n ARG 52 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 2k3m n ILE 53 N 0.91 0.17 -1.50 0.55 0.13 -1.26 -4.64 119.36 113.71 2k3m n ILE 53 Ca 0.15 -0.03 -0.12 0.00 -1.10 0.00 0.00 62.75 61.65 2k3m n ILE 53 Cb 0.24 -1.16 -0.10 0.00 -0.84 0.00 0.00 39.64 37.78 2k3m n ILE 53 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 2k3m n GLN 54 N 4.05 0.09 -3.76 9.51 0.00 -1.26 -4.72 117.38 121.29 2k3m n GLN 54 Ca 0.21 -1.44 -0.09 0.00 -0.00 0.00 0.00 57.00 55.68 2k3m n GLN 54 Cb 0.19 -3.53 -0.04 0.00 0.00 0.00 0.00 30.24 26.86 2k3m n GLN 54 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 2k3m s ILE 55 N 15.00 0.03 0.00 1.69 2.07 -1.26 -4.97 121.20 133.76 2k3m s ILE 55 Ca 0.71 -0.84 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 2k3m s ILE 55 Cb -0.05 -1.63 0.00 0.00 0.13 0.00 0.00 42.46 40.91 2k3m s ILE 55 CO 0.16 -0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 2k3m n GLY 56 N -0.34 2.38 3.64 1.50 0.00 -1.26 -5.05 105.19 106.07 2k3m n GLY 56 Ca -0.09 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.42 2k3m n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k3m n ASP 57 N 0.00 2.90 -4.89 1.61 8.00 -1.26 -4.93 116.55 117.98 2k3m n ASP 57 Ca 0.00 0.86 -0.29 0.00 0.71 0.00 0.00 54.79 56.06 2k3m n ASP 57 Cb 0.00 -1.29 0.08 0.00 -0.02 0.00 0.00 41.12 39.88 2k3m n ASP 57 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2k3m s TRP 58 N 4.78 3.05 -0.07 1.24 0.52 -1.26 -5.05 118.94 122.16 2k3m s TRP 58 Ca 0.98 0.85 -0.03 0.00 0.02 0.00 0.00 56.10 57.92 2k3m s TRP 58 Cb -0.81 -3.36 -0.01 0.00 -1.15 0.00 0.00 33.47 28.13 2k3m s TRP 58 CO 0.54 -1.61 -0.06 0.00 0.02 0.00 0.00 176.95 175.84 2k3m h ARG 59 N -0.95 0.00 0.00 4.98 -0.00 -2.01 -3.38 114.38 113.03 2k3m h ARG 59 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.02 2k3m h ARG 59 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.28 2k3m h ARG 59 CO 0.65 0.00 -0.66 -0.92 0.00 0.00 0.00 179.97 179.04 2k3m h TYR 60 N -0.59 0.00 0.00 3.04 3.20 -2.04 -3.30 116.97 117.29 2k3m h TYR 60 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2k3m h TYR 60 Cb 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2k3m h TYR 60 CO -0.08 0.00 0.00 -1.91 -1.64 0.00 0.00 178.16 174.53 2k3m n GLU 61 N -2.31 0.16 -0.24 1.82 2.13 -1.26 -3.97 120.64 116.96 2k3m n GLU 61 Ca 0.03 0.14 -0.01 0.00 0.66 0.00 0.00 57.16 57.98 2k3m n GLU 61 Cb 0.47 -1.69 0.06 0.00 0.27 0.00 0.00 31.44 30.55 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 0.23 -0.08 6.31 -1.51 -1.74 2.74 116.25 122.21 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 0.63 0.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.02 2k3m h VAL 62 CO 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 177.57 176.30 2k3m h ALA 63 N 1.49 0.11 0.64 5.19 0.00 -1.85 2.54 119.26 127.37 2k3m h ALA 63 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2k3m h ALA 63 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k3m h ALA 63 CO -0.73 -0.13 -0.49 1.25 0.00 0.00 0.00 179.25 179.14 2k3m h HIS 64 N -0.20 -1.34 0.29 0.00 6.17 -0.94 -1.19 115.15 117.95 2k3m h HIS 64 Ca 0.02 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 2k3m h HIS 64 Cb 0.48 0.50 0.00 0.00 2.52 0.00 0.00 27.41 30.91 2k3m h HIS 64 CO 0.07 -0.69 -0.14 -0.44 0.71 0.00 0.00 177.93 177.43 2k3m h ASP 65 N -1.09 -0.34 0.00 3.26 5.19 0.46 -3.03 116.42 120.87 2k3m h ASP 65 Ca -0.08 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2k3m h ASP 65 Cb 0.91 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.51 2k3m h ASP 65 CO 0.02 0.10 0.00 0.61 -3.12 0.00 0.00 179.24 176.85 2k3m n GLY 66 N 0.05 0.90 0.00 2.75 0.00 0.85 -3.61 105.19 106.13 2k3m n GLY 66 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 1.15 0.90 -0.35 1.61 1.74 -0.45 -4.21 116.66 117.04 2k3m n ARG 67 Ca 0.00 0.00 0.29 0.00 -0.77 0.00 0.00 57.85 57.37 2k3m n ARG 67 Cb 0.18 -1.20 0.45 0.00 -1.02 0.00 0.00 32.46 30.87 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 -0.70 0.00 0.20 0.55 -0.00 -1.24 0.28 117.00 116.09 2k3m n LEU 68 Ca 0.09 0.59 -0.08 0.00 -0.00 0.00 0.00 56.01 56.61 2k3m n LEU 68 Cb 0.04 -0.27 -0.04 0.00 -0.00 0.00 0.00 43.42 43.15 2k3m n LEU 68 CO 0.07 -0.59 0.40 -0.07 -0.00 0.00 0.00 177.39 177.20 2k3m h LEU 69 N 0.00 -0.43 0.00 1.47 4.07 -1.93 -0.94 115.31 117.55 2k3m h LEU 69 Ca 0.51 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.49 2k3m h LEU 69 Cb 2.26 0.11 0.00 0.00 1.08 0.00 0.00 40.66 44.12 2k3m h LEU 69 CO -0.01 -0.26 0.00 0.00 -1.08 0.00 0.00 178.44 177.10 2k3m n ALA 70 N -2.34 -0.08 0.00 1.53 0.00 0.80 -3.50 120.51 116.93 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 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.67 0.29 0.00 0.00 0.00 0.24 -4.35 120.51 115.03 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 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.44 0.00 -0.00 0.00 1.44 -0.36 0.23 115.22 116.09 2k3m n HIS 72 Ca 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.54 2k3m n HIS 72 Cb 0.00 -0.20 -0.12 0.00 0.12 0.00 0.00 29.99 29.79 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 0.29 -0.73 -1.40 2.86 -1.84 -3.32 114.93 110.79 2k3m h MET 73 Ca 0.00 -0.34 0.14 0.00 -2.06 0.00 0.00 59.70 57.45 2k3m h MET 73 Cb 0.00 0.10 -0.14 0.00 0.06 0.00 0.00 31.60 31.62 2k3m h MET 73 CO 0.00 1.05 -0.20 0.28 1.06 0.00 0.00 176.91 179.10 2k3m h VAL 74 N -0.33 0.25 -0.23 -2.22 2.07 0.25 1.56 116.25 117.60 2k3m h VAL 74 Ca -0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.52 2k3m h VAL 74 Cb 1.23 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2k3m h VAL 74 CO 0.09 0.00 1.02 -3.20 0.02 0.00 0.00 177.57 175.51 2k3m n ASN 75 N -5.48 0.00 0.25 0.57 2.85 0.26 0.28 115.26 113.99 2k3m n ASN 75 Ca 0.09 0.54 0.08 0.00 -0.11 0.00 0.00 54.58 55.19 2k3m n ASN 75 Cb 0.37 -0.06 0.27 0.00 1.24 0.00 0.00 39.78 41.61 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 0.00 8.20 0.00 0.21 1.64 103.07 113.11 2k3m h GLY 76 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 2k3m h GLY 76 CO -0.00 0.00 -0.31 -2.22 0.00 0.00 0.00 176.54 174.01 2k3m h ILE 77 N 0.00 1.58 -1.19 2.60 2.04 -0.38 -3.12 117.51 119.03 2k3m h ILE 77 Ca 0.07 -2.30 0.39 0.00 1.00 0.00 0.00 64.86 64.02 2k3m h ILE 77 Cb 1.80 3.10 -0.10 0.00 -0.74 0.00 0.00 36.82 40.88 2k3m h ILE 77 CO -0.00 0.53 0.80 0.52 0.00 0.00 0.00 178.15 180.00 2k3m n VAL 78 N -4.57 -0.15 0.06 1.67 0.31 0.56 0.58 118.33 116.80 2k3m n VAL 78 Ca -0.15 1.34 0.02 0.00 -0.01 0.00 0.00 64.34 65.54 2k3m n VAL 78 Cb 0.53 -2.20 -0.05 0.00 -0.91 0.00 0.00 33.84 31.21 2k3m n VAL 78 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2k3m h ILE 79 N 0.00 0.48 -0.00 2.52 3.07 -1.63 -3.29 117.51 118.65 2k3m h ILE 79 Ca 0.70 -1.87 0.00 0.00 1.55 0.00 0.00 64.86 65.24 2k3m h ILE 79 Cb 2.40 2.02 0.00 0.00 -0.27 0.00 0.00 36.82 40.97 2k3m h ILE 79 CO -0.27 0.27 -0.45 0.00 -1.05 0.00 0.00 178.15 176.65 2k3m n ALA 80 N -2.33 3.45 -0.18 0.16 0.00 2.41 -3.28 120.51 120.75 2k3m n ALA 80 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2k3m n ALA 80 Cb 0.77 -1.13 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 -1.38 0.00 0.17 0.00 4.07 0.80 -4.43 120.64 119.88 2k3m n GLU 81 Ca 0.07 0.41 0.12 0.00 -0.06 0.00 0.00 57.16 57.70 2k3m n GLU 81 Cb 0.34 -0.97 0.20 0.00 -0.06 0.00 0.00 31.44 30.95 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2k3m h ASP 82 N 0.00 0.00 -0.69 4.31 5.19 -1.79 -3.38 116.42 120.07 2k3m h ASP 82 Ca 0.00 -0.01 0.13 0.00 -0.62 0.00 0.00 57.03 56.53 2k3m h ASP 82 Cb 0.00 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.38 2k3m h ASP 82 CO 0.00 0.01 -0.28 0.00 -3.12 0.00 0.00 179.24 175.85 2k3m h ALA 83 N 2.13 0.19 -1.02 3.45 0.00 -1.76 -2.65 119.26 119.60 2k3m h ALA 83 Ca 0.00 0.22 0.30 0.00 0.00 0.00 0.00 54.91 55.43 2k3m h ALA 83 Cb 0.94 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2k3m h ALA 83 CO 0.00 -0.56 0.81 1.47 0.00 0.00 0.00 179.25 180.97 2k3m n LEU 84 N -5.46 0.00 -0.10 0.00 -0.00 -1.26 0.18 117.00 110.36 2k3m n LEU 84 Ca 0.07 0.55 -0.11 0.00 -0.00 0.00 0.00 56.01 56.52 2k3m n LEU 84 Cb 0.37 -0.26 -0.04 0.00 -0.00 0.00 0.00 43.42 43.50 2k3m n LEU 84 CO -0.01 -0.55 -0.77 2.30 -0.00 0.00 0.00 177.39 178.37 2k3m n ILE 85 N -2.94 1.50 -0.29 1.47 -6.64 -1.00 -4.52 119.36 106.94 2k3m n ILE 85 Ca 0.23 0.08 0.13 0.00 -1.77 0.00 0.00 62.75 61.42 2k3m n ILE 85 Cb 1.12 -2.30 0.38 0.00 -1.44 0.00 0.00 39.64 37.40 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k3m h ALA 86 N -1.00 1.84 0.00 -1.28 0.00 -0.75 0.84 119.26 118.92 2k3m h ALA 86 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k3m h ALA 86 Cb 1.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k3m h ALA 86 CO -0.05 -0.12 0.37 -1.91 0.00 0.00 0.00 179.25 177.54 2k3m n GLU 87 N -4.59 0.02 0.00 0.00 2.13 0.48 0.28 120.64 118.96 2k3m n GLU 87 Ca 0.19 0.32 0.15 0.00 0.66 0.00 0.00 57.16 58.48 2k3m n GLU 87 Cb 0.52 -1.95 0.70 0.00 0.27 0.00 0.00 31.44 30.99 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3m n ALA 88 N -1.29 2.69 -0.65 4.31 0.00 0.29 -3.56 120.51 122.30 2k3m n ALA 88 Ca -0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 53.44 52.98 2k3m n ALA 88 Cb 0.38 -1.36 0.10 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.74 2.65 -0.10 0.00 0.31 0.80 -4.48 118.33 116.77 2k3m n VAL 89 Ca 0.18 -1.53 -0.11 0.00 -0.01 0.00 0.00 64.34 62.87 2k3m n VAL 89 Cb 0.24 -0.84 -0.04 0.00 -0.91 0.00 0.00 33.84 32.29 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 2.11 0.59 0.00 2.92 0.00 -1.76 -2.94 103.07 103.99 2k3m h GLY 90 Ca 0.42 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2k3m h GLY 90 CO 0.83 0.44 0.90 -1.05 0.00 0.00 0.00 176.54 177.66 2k3m n PRO 91 N -4.51 0.02 -0.23 4.80 -0.01 -1.26 0.95 135.00 134.76 2k3m n PRO 91 Ca -0.03 0.78 0.01 0.00 -0.01 0.00 0.00 63.50 64.25 2k3m n PRO 91 Cb 0.30 -2.40 0.13 0.00 -0.01 0.00 0.00 33.50 31.52 2k3m n PRO 91 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 175.50 176.61 2k3m h HIS 92 N 0.00 0.51 -0.73 6.00 2.07 -1.89 -1.00 115.15 120.12 2k3m h HIS 92 Ca 0.00 0.03 0.07 0.00 -2.85 0.00 0.00 60.37 57.62 2k3m h HIS 92 Cb 1.79 -0.13 -0.09 0.00 2.57 0.00 0.00 27.41 31.55 2k3m h HIS 92 CO 0.00 0.15 -0.50 1.37 -3.07 0.00 0.00 177.93 175.88 2k3m h LEU 93 N 0.49 -1.80 0.73 6.12 8.10 0.33 5.63 115.31 134.91 2k3m h LEU 93 Ca 0.34 0.27 -0.03 0.00 0.11 0.00 0.00 57.88 58.56 2k3m h LEU 93 Cb 0.40 0.78 -0.00 0.00 -0.44 0.00 0.00 40.66 41.40 2k3m h LEU 93 CO -0.30 -0.24 -0.44 0.00 -4.11 0.00 0.00 178.44 173.35 2k3m h ALA 94 N 0.16 -1.13 0.14 0.17 0.00 -1.52 -0.99 119.26 116.10 2k3m h ALA 94 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 94 Cb 0.40 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2k3m h ALA 94 CO -0.73 -1.15 -0.46 0.00 0.00 0.00 0.00 179.25 176.91 2k3m h ARG 95 N -1.10 -0.66 0.00 0.00 3.08 -0.17 0.75 114.38 116.28 2k3m h ARG 95 Ca -0.09 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2k3m h ARG 95 Cb 0.88 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2k3m h ARG 95 CO 0.10 -0.44 0.44 0.00 -1.07 0.00 0.00 179.97 179.00 2k3m n ALA 96 N -2.85 0.41 0.00 0.04 0.00 1.82 -4.30 120.51 115.62 2k3m n ALA 96 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 96 Cb 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.86 0.00 0.16 0.00 0.00 0.26 0.26 117.00 115.81 2k3m n LEU 97 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 56.01 56.18 2k3m n LEU 97 Cb 0.45 0.00 0.63 0.00 0.00 0.00 0.00 43.42 44.50 2k3m n LEU 97 CO 0.03 0.00 1.15 1.23 0.00 0.00 0.00 177.39 179.81 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.85 3.84 103.07 103.11 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 -0.18 4.80 1.08 0.33 -1.25 115.11 119.89 2k3m h GLN 99 Ca 0.15 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.29 2k3m h GLN 99 Cb 1.33 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.75 2k3m h GLN 99 CO -0.00 0.00 -0.17 0.82 -0.95 0.00 0.00 178.83 178.52 2k3m h ILE 100 N 0.00 1.21 0.80 2.54 2.04 0.72 -3.19 117.51 121.63 2k3m h ILE 100 Ca 0.00 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 2k3m h ILE 100 Cb 0.44 1.27 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2k3m h ILE 100 CO 0.00 0.30 -0.39 1.62 0.00 0.00 0.00 178.15 179.69 2k3m h VAL 101 N 0.28 0.00 0.00 1.67 3.04 -1.24 -0.31 116.25 119.69 2k3m h VAL 101 Ca 0.05 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 2k3m h VAL 101 Cb 0.48 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.76 2k3m h VAL 101 CO 0.03 0.00 0.54 0.00 -1.01 0.00 0.00 177.57 177.13 2k3m h ARG 103 N 0.00 0.29 -0.72 0.00 2.43 -1.36 -2.26 114.38 112.75 2k3m h ARG 103 Ca 0.00 -0.49 -0.11 0.00 -0.81 0.00 0.00 59.98 58.57 2k3m h ARG 103 Cb 1.09 0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 2k3m h ARG 103 CO 0.00 1.23 0.14 0.98 -1.51 0.00 0.00 179.97 180.82 2k3m n TYR 104 N -3.82 2.07 0.00 2.20 9.36 0.84 -4.80 117.16 123.01 2k3m n TYR 104 Ca -0.25 -0.90 0.00 0.00 3.32 0.00 0.00 57.90 60.07 2k3m n TYR 104 Cb 0.95 -0.57 0.00 0.00 -0.63 0.00 0.00 39.34 39.09 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 0.18 -1.49 2.77 2.98 0.00 0.69 -4.94 105.19 105.38 2k3m n GLY 105 Ca 0.32 0.60 -0.11 0.00 0.00 0.00 0.00 46.02 46.83 2k3m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3m n ALA 106 N -2.64 -1.87 1.24 4.61 0.00 -0.85 -4.90 120.51 116.11 2k3m n ALA 106 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.65 2k3m n ALA 106 Cb 0.00 -4.00 0.40 0.00 0.00 0.00 0.00 19.45 15.85 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 -2.83 0.00 -0.09 0.00 5.66 -1.26 -4.11 114.28 111.66 2k3m n THR 107 Ca -0.07 -0.11 -0.14 0.00 -3.05 0.00 0.00 64.05 60.67 2k3m n THR 107 Cb 0.59 0.32 -0.08 0.00 -1.55 0.00 0.00 70.33 69.61 2k3m n THR 107 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 2k3m h VAL 108 N 1.04 0.73 -0.98 1.08 -1.51 -1.97 -3.39 116.25 111.24 2k3m h VAL 108 Ca 0.00 -1.79 0.25 0.00 -1.23 0.00 0.00 66.70 63.93 2k3m h VAL 108 Cb 0.49 1.61 -0.07 0.00 -2.13 0.00 0.00 31.29 31.19 2k3m h VAL 108 CO 0.00 0.25 0.66 0.16 -1.23 0.00 0.00 177.57 177.40 2k3m h ILE 109 N -1.00 0.58 -0.94 7.19 3.07 -1.98 -2.49 117.51 121.94 2k3m h ILE 109 Ca -0.17 -0.11 0.16 0.00 1.55 0.00 0.00 64.86 66.29 2k3m h ILE 109 Cb 0.93 0.24 -0.08 0.00 -0.27 0.00 0.00 36.82 37.64 2k3m h ILE 109 CO -0.10 0.06 0.60 -0.65 -1.05 0.00 0.00 178.15 177.00 2k3m h PRO 110 N 0.31 0.69 0.20 0.16 0.11 -1.75 1.96 132.00 133.67 2k3m h PRO 110 Ca 0.52 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.58 2k3m h PRO 110 Cb 1.48 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2k3m h PRO 110 CO -0.18 0.45 -0.09 -0.97 -0.21 0.00 0.00 178.00 177.00 2k3m h ASN 111 N 0.71 -0.22 -0.51 -2.05 -0.00 -1.69 -3.09 115.58 108.72 2k3m h ASN 111 Ca 0.49 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.80 2k3m h ASN 111 Cb 0.81 0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 39.16 2k3m h ASN 111 CO -0.25 -0.13 0.33 0.16 -0.00 0.00 0.00 177.43 177.53 2k3m h ILE 112 N -0.32 1.14 -0.40 2.57 3.07 -1.61 -3.21 117.51 118.74 2k3m h ILE 112 Ca -0.03 -0.27 0.04 0.00 1.55 0.00 0.00 64.86 66.15 2k3m h ILE 112 Cb 0.20 0.41 -0.06 0.00 -0.27 0.00 0.00 36.82 37.10 2k3m h ILE 112 CO 0.04 0.14 -0.39 -1.13 -1.05 0.00 0.00 178.15 175.76 2k3m h ASN 113 N 0.68 -1.36 -0.11 2.16 -1.24 0.31 1.54 115.58 117.56 2k3m h ASN 113 Ca 0.18 0.19 0.03 0.00 0.71 0.00 0.00 56.30 57.41 2k3m h ASN 113 Cb -0.06 0.57 -0.00 0.00 0.73 0.00 0.00 38.32 39.56 2k3m h ASN 113 CO -0.04 -0.25 0.16 0.00 -1.29 0.00 0.00 177.43 176.02 2k3m h ALA 114 N -0.29 1.57 0.00 1.57 0.00 -1.58 -0.92 119.26 119.61 2k3m h ALA 114 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2k3m h ALA 114 Cb 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k3m h ALA 114 CO -0.48 -0.22 -0.26 0.00 0.00 0.00 0.00 179.25 178.29 2k3m h ALA 115 N 1.77 0.02 0.71 0.00 0.00 0.37 -3.32 119.26 118.80 2k3m h ALA 115 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2k3m h ALA 115 Cb 0.38 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k3m h ALA 115 CO -0.00 0.22 -0.34 0.82 0.00 0.00 0.00 179.25 179.96 2k3m h ILE 116 N -1.00 0.02 -0.36 0.00 2.04 0.20 -2.55 117.51 115.86 2k3m h ILE 116 Ca -0.02 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.58 2k3m h ILE 116 Cb 0.35 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.40 2k3m h ILE 116 CO -0.01 0.00 -0.42 -0.08 0.00 0.00 0.00 178.15 177.64 2k3m h GLU 117 N -1.24 -0.25 0.00 2.37 4.81 -1.33 2.23 114.58 121.17 2k3m h GLU 117 Ca -0.10 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2k3m h GLU 117 Cb 0.73 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2k3m h GLU 117 CO 0.16 -0.17 0.24 0.28 -0.73 0.00 0.00 179.01 178.79 2k3m n VAL 118 N -4.71 0.69 -0.04 0.32 0.31 -1.25 -1.56 118.33 112.10 2k3m n VAL 118 Ca -0.02 0.74 -0.00 0.00 -0.01 0.00 0.00 64.34 65.05 2k3m n VAL 118 Cb 0.25 -1.74 -0.00 0.00 -0.91 0.00 0.00 33.84 31.43 2k3m n VAL 118 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2k3m h LEU 119 N 0.00 -0.01 0.00 7.52 5.85 0.41 -3.43 115.31 125.65 2k3m h LEU 119 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k3m h LEU 119 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2k3m h LEU 119 CO 0.00 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 2k3m n GLY 120 N 1.76 -0.38 0.00 3.75 0.00 -0.56 -4.97 105.19 104.79 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 -0.25 0.00 0.00 2.61 -1.04 -1.01 -5.04 114.28 109.56 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 -0.11 2.38 2.19 3.41 0.00 -1.22 -4.89 105.19 106.96 2k3m n GLY 122 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.81 2.61 5.66 -1.26 -4.81 114.28 112.67 2k3m n THR 123 Ca 0.00 -0.27 -0.12 0.00 -3.05 0.00 0.00 64.05 60.60 2k3m n THR 123 Cb 0.00 -0.04 -0.11 0.00 -1.55 0.00 0.00 70.33 68.63 2k3m n THR 123 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2k3m s ASP 124 N 0.74 -0.16 -0.03 1.09 -4.77 -1.26 -5.11 116.67 107.18 2k3m s ASP 124 Ca 0.83 0.21 -0.17 0.00 -3.30 0.00 0.00 52.55 50.13 2k3m s ASP 124 Cb -0.57 0.37 0.03 0.00 -1.09 0.00 0.00 42.92 41.66 2k3m s ASP 124 CO 0.35 -0.22 0.37 -0.47 0.70 0.00 0.00 175.17 175.90 2k3m s TYR 125 N -0.53 -0.27 -0.00 2.11 6.14 -1.26 -5.17 117.35 118.36 2k3m s TYR 125 Ca -0.06 0.46 -0.15 0.00 0.64 0.00 0.00 57.07 57.96 2k3m s TYR 125 Cb -0.04 0.14 0.02 0.00 0.42 0.00 0.00 41.96 42.51 2k3m s TYR 125 CO 0.01 -0.40 0.31 1.03 0.64 0.00 0.00 175.55 177.14 2k3m s ARG 126 N -1.16 0.69 0.00 4.97 0.52 -1.26 -5.18 118.95 117.54 2k3m s ARG 126 Ca -0.12 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 2k3m s ARG 126 Cb -0.04 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.73 2k3m s ARG 126 CO 0.05 -0.20 0.29 0.34 0.02 0.00 0.00 175.30 175.80