#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 2.76 0.00 7.83 2.88 -1.26 -4.88 113.62 120.96 2k3m n SER 2 Ca 0.00 -1.82 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 2k3m n SER 2 Cb 0.00 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2k3m n SER 2 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k3m n ASP 3 N 0.86 0.00 -3.73 -3.46 5.68 -1.26 -5.18 116.55 109.47 2k3m n ASP 3 Ca 0.12 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.28 2k3m n ASP 3 Cb 0.43 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.33 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 -0.32 -0.00 2.11 2.19 -1.26 -5.17 117.98 115.52 2k3m s PHE 4 Ca 0.00 0.63 -0.24 0.00 0.33 0.00 0.00 56.93 57.65 2k3m s PHE 4 Cb 0.00 0.15 0.05 0.00 -1.31 0.00 0.00 43.02 41.91 2k3m s PHE 4 CO 0.00 -0.36 0.52 -0.51 1.83 0.00 0.00 175.22 176.71 2k3m s ASP 5 N -0.81 -0.45 0.99 6.13 1.01 -1.26 -4.99 116.67 117.28 2k3m s ASP 5 Ca -0.09 0.34 -0.12 0.00 0.71 0.00 0.00 52.55 53.39 2k3m s ASP 5 Cb -0.04 0.46 0.18 0.00 1.01 0.00 0.00 42.92 44.54 2k3m s ASP 5 CO 0.04 -0.62 1.09 -0.89 0.21 0.00 0.00 175.17 175.00 2k3m s THR 6 N -1.74 2.19 0.07 -1.27 2.01 -1.26 -4.41 115.64 111.23 2k3m s THR 6 Ca -0.09 0.06 -0.37 0.00 0.31 0.00 0.00 61.69 61.60 2k3m s THR 6 Cb -0.01 -2.52 -0.19 0.00 0.01 0.00 0.00 72.50 69.78 2k3m s THR 6 CO 0.04 -0.08 1.56 -0.08 -0.69 0.00 0.00 174.62 175.37 2k3m h GLU 7 N -1.87 -1.18 -0.36 4.92 4.22 -2.01 5.56 114.58 123.85 2k3m h GLU 7 Ca -0.54 0.08 0.08 0.00 0.08 0.00 0.00 59.36 59.06 2k3m h GLU 7 Cb 1.32 0.27 -0.09 0.00 0.50 0.00 0.00 28.75 30.75 2k3m h GLU 7 CO 0.56 -0.79 -0.29 -0.09 -2.18 0.00 0.00 179.01 176.22 2k3m h ARG 8 N -1.23 -0.23 0.04 1.92 2.43 -1.95 2.72 114.38 118.08 2k3m h ARG 8 Ca -0.11 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2k3m h ARG 8 Cb 0.98 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2k3m h ARG 8 CO 0.12 -0.15 -0.02 -0.39 -1.51 0.00 0.00 179.97 178.02 2k3m h VAL 9 N -0.24 1.20 0.54 0.20 -1.51 -1.88 0.06 116.25 114.62 2k3m h VAL 9 Ca 0.17 -0.79 -0.03 0.00 -1.23 0.00 0.00 66.70 64.82 2k3m h VAL 9 Cb 0.51 1.72 0.01 0.00 -2.13 0.00 0.00 31.29 31.40 2k3m h VAL 9 CO -0.50 0.20 -0.26 -1.28 -1.23 0.00 0.00 177.57 174.50 2k3m h SER 10 N -0.41 -0.62 0.62 4.19 0.87 1.22 -1.98 113.55 117.45 2k3m h SER 10 Ca -0.01 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2k3m h SER 10 Cb 0.37 0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2k3m h SER 10 CO 0.01 -0.40 -0.30 -0.09 -0.53 0.00 0.00 176.83 175.52 2k3m h ARG 11 N -0.82 -0.80 -0.68 2.24 2.43 0.47 1.38 114.38 118.60 2k3m h ARG 11 Ca -0.07 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.30 2k3m h ARG 11 Cb 0.56 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 30.18 2k3m h ARG 11 CO 0.12 -0.54 0.04 0.00 -1.51 0.00 0.00 179.97 178.09 2k3m h ALA 12 N -1.36 0.73 0.09 2.80 0.00 -0.81 2.42 119.26 123.13 2k3m h ALA 12 Ca -0.09 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k3m h ALA 12 Cb 0.64 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k3m h ALA 12 CO 0.14 -0.39 -0.05 0.28 0.00 0.00 0.00 179.25 179.24 2k3m h VAL 13 N 0.15 0.98 0.53 0.00 2.07 -1.26 1.59 116.25 120.31 2k3m h VAL 13 Ca 0.37 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 2k3m h VAL 13 Cb 0.61 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2k3m h VAL 13 CO -0.56 0.06 -0.44 0.00 0.02 0.00 0.00 177.57 176.65 2k3m h ALA 14 N 0.66 -1.15 -0.11 1.67 0.00 0.63 3.47 119.26 124.43 2k3m h ALA 14 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 14 Cb 0.20 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 14 CO 0.02 -1.16 -0.29 0.00 0.00 0.00 0.00 179.25 177.82 2k3m h ALA 15 N -1.09 -0.34 0.60 0.00 0.00 0.39 2.26 119.26 121.07 2k3m h ALA 15 Ca -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 15 Cb 0.80 0.56 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2k3m h ALA 15 CO -0.01 -0.77 -0.29 0.00 0.00 0.00 0.00 179.25 178.18 2k3m h ALA 16 N 0.47 -0.81 0.14 0.00 0.00 0.25 3.04 119.26 122.35 2k3m h ALA 16 Ca 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 16 Cb 0.52 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2k3m h ALA 16 CO -0.32 -0.86 -0.19 1.25 0.00 0.00 0.00 179.25 179.13 2k3m h LEU 17 N -0.99 -0.53 0.49 0.00 6.46 0.67 1.17 115.31 122.59 2k3m h LEU 17 Ca -0.08 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 2k3m h LEU 17 Cb 0.67 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 2k3m h LEU 17 CO 0.14 -0.28 -0.24 -0.37 -0.62 0.00 0.00 178.44 177.07 2k3m h VAL 18 N -0.38 0.21 -0.73 1.05 -1.51 0.38 -3.34 116.25 111.92 2k3m h VAL 18 Ca 0.02 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2k3m h VAL 18 Cb 0.39 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 29.86 2k3m h VAL 18 CO -0.09 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 176.91 2k3m n GLY 19 N -0.16 -2.91 0.09 5.19 0.00 1.01 -4.86 105.19 103.55 2k3m n GLY 19 Ca -0.09 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 0.15 0.80 1.61 0.14 -1.76 -3.36 132.00 129.58 2k3m h PRO 20 Ca 0.00 -0.23 -0.04 0.00 0.14 0.00 0.00 66.00 65.87 2k3m h PRO 20 Cb 0.00 0.08 0.01 0.00 0.14 0.00 0.00 31.00 31.23 2k3m h PRO 20 CO 0.00 1.07 -0.38 0.78 0.14 0.00 0.00 178.00 179.61 2k3m h GLY 21 N 2.17 -1.12 0.54 1.56 0.00 -1.84 1.56 103.07 105.95 2k3m h GLY 21 Ca -0.07 0.41 0.04 0.00 0.00 0.00 0.00 47.33 47.71 2k3m h GLY 21 CO 0.16 -0.41 -0.14 -1.33 0.00 0.00 0.00 176.54 174.82 2k3m h GLY 22 N -1.08 -0.09 1.86 4.60 0.00 0.12 0.46 103.07 108.94 2k3m h GLY 22 Ca -0.11 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2k3m h GLY 22 CO 0.18 -0.14 0.05 -0.39 0.00 0.00 0.00 176.54 176.24 2k3m h VAL 23 N -0.19 1.06 0.66 4.60 -1.51 -1.42 -0.35 116.25 119.10 2k3m h VAL 23 Ca 0.08 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 65.32 2k3m h VAL 23 Cb 0.30 0.90 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2k3m h VAL 23 CO -0.20 0.07 -0.40 0.00 -1.23 0.00 0.00 177.57 175.81 2k3m h ALA 24 N 1.87 -1.21 -0.30 5.19 0.00 0.70 0.34 119.26 125.85 2k3m h ALA 24 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 24 Cb 0.05 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k3m h ALA 24 CO -0.01 -1.17 0.13 1.37 0.00 0.00 0.00 179.25 179.57 2k3m h LEU 25 N -0.98 0.41 0.59 0.00 -0.00 -0.99 0.28 115.31 114.61 2k3m h LEU 25 Ca -0.09 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 57.62 2k3m h LEU 25 Cb 0.78 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.33 2k3m h LEU 25 CO 0.09 0.45 -0.41 0.58 -0.00 0.00 0.00 178.44 179.15 2k3m h VAL 26 N 0.34 0.18 -0.70 0.15 2.07 -1.03 0.50 116.25 117.74 2k3m h VAL 26 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2k3m h VAL 26 Cb 0.16 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2k3m h VAL 26 CO -0.01 0.00 0.43 0.58 0.02 0.00 0.00 177.57 178.59 2k3m h VAL 27 N -0.96 1.20 0.47 2.57 2.07 -0.30 0.57 116.25 121.87 2k3m h VAL 27 Ca -0.07 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2k3m h VAL 27 Cb 0.79 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2k3m h VAL 27 CO 0.04 0.20 -0.23 0.11 0.02 0.00 0.00 177.57 177.72 2k3m h LYS 28 N 0.97 -0.61 -0.14 1.57 1.79 0.01 0.53 116.57 120.68 2k3m h LYS 28 Ca 0.25 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 2k3m h LYS 28 Cb -0.05 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2k3m h LYS 28 CO -0.05 -0.31 0.05 0.28 -1.08 0.00 0.00 179.45 178.35 2k3m h VAL 29 N -0.93 1.16 0.62 0.50 2.07 0.13 0.68 116.25 120.47 2k3m h VAL 29 Ca -0.07 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2k3m h VAL 29 Cb 0.59 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2k3m h VAL 29 CO 0.11 0.15 -0.30 0.00 0.02 0.00 0.00 177.57 177.54 2k3m h ALA 31 N -1.34 -0.23 -2.65 0.00 0.00 0.02 -3.49 119.26 111.57 2k3m h ALA 31 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k3m h ALA 31 Cb 0.64 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k3m h ALA 31 CO 0.14 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2k3m n GLY 32 N -0.77 -0.09 0.72 0.00 0.00 0.24 -4.90 105.19 100.40 2k3m n GLY 32 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.92 -0.96 0.15 0.99 4.77 -1.25 -4.92 117.00 114.85 2k3m n LEU 33 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 2k3m n LEU 33 Cb 0.44 -0.48 0.78 0.00 -2.33 0.00 0.00 43.42 41.83 2k3m n LEU 33 CO 0.00 0.00 1.16 -0.65 -1.33 0.00 0.00 177.39 176.57 2k3m h PRO 34 N 0.00 0.00 0.64 3.23 0.11 -1.90 -2.63 132.00 131.45 2k3m h PRO 34 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2k3m h PRO 34 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2k3m h PRO 34 CO 0.00 0.00 -0.46 0.78 -0.21 0.00 0.00 178.00 178.11 2k3m h GLY 35 N 0.00 -1.19 -2.31 -0.55 0.00 -1.93 -3.43 103.07 93.67 2k3m h GLY 35 Ca 0.14 0.51 -0.43 0.00 0.00 0.00 0.00 47.33 47.56 2k3m h GLY 35 CO -0.00 -0.40 -0.20 0.54 0.00 0.00 0.00 176.54 176.48 2k3m s VAL 36 N -5.95 3.03 0.00 4.60 0.11 -0.99 -5.04 120.40 116.16 2k3m s VAL 36 Ca -0.18 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 2k3m s VAL 36 Cb 0.04 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 2k3m s VAL 36 CO 0.61 -0.02 0.00 0.00 -3.33 0.00 0.00 175.10 172.36 2k3m n ILE 37 N -1.96 0.00 -3.90 7.04 3.06 -1.26 -4.75 119.36 117.59 2k3m n ILE 37 Ca 0.07 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.15 2k3m n ILE 37 Cb 0.59 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.61 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 2k3m s HIS 38 N 0.00 0.28 -0.17 9.51 3.76 -1.26 -5.08 115.29 122.34 2k3m s HIS 38 Ca 0.00 0.02 -0.10 0.00 -0.15 0.00 0.00 55.06 54.83 2k3m s HIS 38 Cb 0.00 -0.41 -0.05 0.00 1.11 0.00 0.00 32.58 33.24 2k3m s HIS 38 CO 0.00 -0.13 0.15 0.99 -0.85 0.00 0.00 174.74 174.90 2k3m s THR 39 N 1.10 5.42 0.00 1.30 2.01 -1.26 -5.07 115.64 119.15 2k3m s THR 39 Ca -0.09 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.15 2k3m s THR 39 Cb -0.13 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.91 2k3m s THR 39 CO -0.02 0.49 0.00 -0.81 -0.69 0.00 0.00 174.62 173.59 2k3m n PRO 40 N 3.03 0.00 -1.81 4.92 -0.04 -1.26 -4.73 135.00 135.12 2k3m n PRO 40 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 2k3m n PRO 40 Cb 0.53 -0.13 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 2k3m n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3m s ALA 41 N -2.63 3.69 0.05 0.55 0.00 -1.26 -4.92 121.76 117.24 2k3m s ALA 41 Ca 0.00 1.30 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 2k3m s ALA 41 Cb 0.00 -3.75 0.09 0.00 0.00 0.00 0.00 23.12 19.46 2k3m s ALA 41 CO 0.00 -1.26 1.05 1.03 0.00 0.00 0.00 175.76 176.58 2k3m s ARG 42 N 3.13 0.85 0.00 0.00 1.81 -1.26 -4.98 118.95 118.49 2k3m s ARG 42 Ca 0.79 -0.44 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 2k3m s ARG 42 Cb -0.42 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.39 2k3m s ARG 42 CO 0.35 -0.38 0.27 2.89 -0.68 0.00 0.00 175.30 177.75 2k3m n ARG 43 N -0.40 0.32 0.00 3.54 1.85 -1.26 -4.65 116.66 116.06 2k3m n ARG 43 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 2k3m n ARG 43 Cb 0.61 -1.28 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k3m n GLY 44 N 0.67 2.71 3.82 2.89 0.00 -1.26 -4.86 105.19 109.16 2k3m n GLY 44 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2k3m n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3m s PHE 45 N -0.47 -0.00 0.00 1.61 2.19 -1.26 -5.06 117.98 114.99 2k3m s PHE 45 Ca 0.00 -0.15 0.00 0.00 0.33 0.00 0.00 56.93 57.11 2k3m s PHE 45 Cb 0.00 0.57 0.00 0.00 -1.31 0.00 0.00 43.02 42.28 2k3m s PHE 45 CO 0.00 -0.37 0.00 0.34 1.83 0.00 0.00 175.22 177.02 2k3m n PHE 46 N -0.70 0.00 -3.62 10.12 7.35 -1.26 -5.03 117.46 124.32 2k3m n PHE 46 Ca -0.02 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.68 2k3m n PHE 46 Cb 0.60 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.43 2k3m n PHE 46 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2k3m s ARG 47 N 0.00 0.38 -0.28 -4.13 0.52 -1.26 -4.95 118.95 109.23 2k3m s ARG 47 Ca 0.00 -0.21 -0.00 0.00 -0.52 0.00 0.00 55.73 55.00 2k3m s ARG 47 Cb 0.00 0.13 -0.00 0.00 0.52 0.00 0.00 34.95 35.60 2k3m s ARG 47 CO 0.00 -0.17 0.26 0.00 0.02 0.00 0.00 175.30 175.41 2k3m s ASN 49 N -2.42 1.66 0.00 0.00 0.01 -1.26 -5.03 114.94 107.90 2k3m s ASN 49 Ca 0.01 -0.20 -0.08 0.00 -0.71 0.00 0.00 52.86 51.88 2k3m s ASN 49 Cb -0.00 -0.64 -0.10 0.00 0.41 0.00 0.00 41.25 40.93 2k3m s ASN 49 CO 0.28 -0.10 0.76 -2.65 -1.51 0.00 0.00 177.10 173.87 2k3m n PRO 50 N 4.62 0.00 -1.80 -0.60 -0.02 -1.26 -2.52 135.00 133.42 2k3m n PRO 50 Ca -0.15 -0.27 -0.18 0.00 -2.02 0.00 0.00 63.50 60.87 2k3m n PRO 50 Cb 0.50 -1.42 -0.05 0.00 -0.02 0.00 0.00 33.50 32.51 2k3m n PRO 50 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2k3m n GLU 51 N 4.62 -1.31 -4.06 -0.52 0.00 -1.26 -4.99 120.64 113.13 2k3m n GLU 51 Ca 0.12 1.04 -0.22 0.00 0.00 0.00 0.00 57.16 58.10 2k3m n GLU 51 Cb 0.26 -5.38 -0.04 0.00 0.00 0.00 0.00 31.44 26.29 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2k3m s ARG 52 N -3.98 3.12 0.22 3.44 0.52 -1.05 -5.05 118.95 116.17 2k3m s ARG 52 Ca 0.00 -0.92 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 2k3m s ARG 52 Cb 0.00 -2.69 -0.08 0.00 0.52 0.00 0.00 34.95 32.69 2k3m s ARG 52 CO 0.00 0.42 1.10 -1.50 0.02 0.00 0.00 175.30 175.34 2k3m s ILE 53 N -2.04 3.72 -1.05 1.52 1.10 -1.26 -4.75 121.20 118.44 2k3m s ILE 53 Ca 0.33 1.58 -0.26 0.00 -0.51 0.00 0.00 60.65 61.78 2k3m s ILE 53 Cb -0.09 -4.01 -0.21 0.00 0.15 0.00 0.00 42.46 38.31 2k3m s ILE 53 CO 0.26 0.31 2.15 -1.10 -2.11 0.00 0.00 174.94 174.46 2k3m s GLN 54 N -0.79 1.27 0.08 3.50 -0.21 -1.26 -4.79 119.66 117.46 2k3m s GLN 54 Ca 0.47 -0.32 -0.11 0.00 0.02 0.00 0.00 55.36 55.42 2k3m s GLN 54 Cb -0.30 -4.96 0.01 0.00 1.00 0.00 0.00 33.01 28.75 2k3m s GLN 54 CO 0.37 -5.32 0.24 -1.50 -2.12 0.00 0.00 175.29 166.96 2k3m s ILE 55 N 16.57 0.12 0.00 1.08 2.07 -1.26 -4.93 121.20 134.85 2k3m s ILE 55 Ca 0.83 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 59.09 2k3m s ILE 55 Cb -0.06 -1.21 0.00 0.00 0.13 0.00 0.00 42.46 41.32 2k3m s ILE 55 CO 0.17 -0.54 0.00 0.61 -1.91 0.00 0.00 174.94 173.27 2k3m n GLY 56 N 0.07 0.82 3.54 1.50 0.00 -1.26 -5.05 105.19 104.81 2k3m n GLY 56 Ca -0.16 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 0.51 0.00 0.00 0.00 173.32 173.83 2k3m s ASP 57 N -1.39 6.25 0.70 1.61 -4.77 -1.26 -4.98 116.67 112.83 2k3m s ASP 57 Ca 0.00 -0.75 -0.04 0.00 -3.30 0.00 0.00 52.55 48.46 2k3m s ASP 57 Cb 0.00 -2.55 0.09 0.00 -1.09 0.00 0.00 42.92 39.37 2k3m s ASP 57 CO 0.00 -1.72 0.98 0.26 0.70 0.00 0.00 175.17 175.40 2k3m s TRP 58 N 5.36 2.37 -0.12 2.11 0.52 -1.26 -5.07 118.94 122.86 2k3m s TRP 58 Ca 0.36 0.11 -0.05 0.00 0.02 0.00 0.00 56.10 56.55 2k3m s TRP 58 Cb -0.07 -3.13 -0.02 0.00 -1.15 0.00 0.00 33.47 29.11 2k3m s TRP 58 CO 0.09 -1.50 -0.09 0.00 0.02 0.00 0.00 176.95 175.47 2k3m h ARG 59 N -0.53 0.00 0.00 4.98 -0.00 -1.98 -3.38 114.38 113.47 2k3m h ARG 59 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.07 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 0.50 0.00 -0.92 0.98 0.00 0.00 0.00 179.97 180.53 2k3m n TYR 60 N -4.62 0.62 0.69 3.04 9.36 -1.26 -3.94 117.16 121.05 2k3m n TYR 60 Ca -0.04 0.18 0.13 0.00 3.32 0.00 0.00 57.90 61.49 2k3m n TYR 60 Cb 0.13 -0.71 0.47 0.00 -0.63 0.00 0.00 39.34 38.60 2k3m n TYR 60 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2k3m n GLU 61 N -2.30 0.17 -0.14 2.98 -0.58 -1.26 -4.00 120.64 115.51 2k3m n GLU 61 Ca 0.01 0.19 -0.08 0.00 -0.42 0.00 0.00 57.16 56.86 2k3m n GLU 61 Cb 0.49 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2k3m h VAL 62 N 0.00 0.16 0.06 2.62 -1.51 -1.75 2.81 116.25 118.65 2k3m h VAL 62 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2k3m h VAL 62 Cb 0.59 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 2k3m h VAL 62 CO 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 177.57 176.31 2k3m h ALA 63 N 0.65 -0.09 0.39 5.19 0.00 -1.87 3.42 119.26 126.96 2k3m h ALA 63 Ca 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k3m h ALA 63 Cb 0.56 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k3m h ALA 63 CO -0.58 -0.37 -0.37 0.45 0.00 0.00 0.00 179.25 178.38 2k3m h HIS 64 N -0.45 -0.99 0.12 0.00 -0.00 -1.52 -1.72 115.15 110.59 2k3m h HIS 64 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2k3m h HIS 64 Cb 0.39 0.38 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 2k3m h HIS 64 CO 0.04 -0.52 -0.06 0.22 -0.00 0.00 0.00 177.93 177.62 2k3m h ASP 65 N -0.77 -0.14 0.00 2.45 3.58 0.49 -3.15 116.42 118.88 2k3m h ASP 65 Ca -0.03 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2k3m h ASP 65 Cb 0.69 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2k3m h ASP 65 CO -0.05 0.43 0.00 0.61 -2.88 0.00 0.00 179.24 177.35 2k3m n GLY 66 N 0.54 0.54 0.06 -0.78 0.00 1.13 -3.04 105.19 103.64 2k3m n GLY 66 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 2k3m n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k3m n ARG 67 N 0.90 1.08 -0.66 1.61 0.63 -0.65 -4.07 116.66 115.51 2k3m n ARG 67 Ca 0.00 -0.12 0.50 0.00 -0.92 0.00 0.00 57.85 57.31 2k3m n ARG 67 Cb 0.13 -1.44 0.78 0.00 0.45 0.00 0.00 32.46 32.39 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2k3m n LEU 68 N -0.80 0.04 0.04 6.15 -0.00 -1.17 -1.79 117.00 119.48 2k3m n LEU 68 Ca 0.21 1.05 -0.02 0.00 -0.00 0.00 0.00 56.01 57.25 2k3m n LEU 68 Cb 0.13 -0.52 -0.01 0.00 -0.00 0.00 0.00 43.42 43.02 2k3m n LEU 68 CO 0.16 -1.07 0.31 0.25 -0.00 0.00 0.00 177.39 177.03 2k3m h LEU 69 N 0.00 -0.10 0.00 1.47 6.46 -1.92 -3.02 115.31 118.20 2k3m h LEU 69 Ca 0.92 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.68 2k3m h LEU 69 Cb 3.55 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 43.51 2k3m h LEU 69 CO -0.09 -0.04 0.00 0.00 -0.62 0.00 0.00 178.44 177.68 2k3m n ALA 70 N -2.10 -0.03 0.18 1.25 0.00 -0.74 -3.81 120.51 115.27 2k3m n ALA 70 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 70 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2k3m n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3m n ALA 71 N -0.74 1.41 0.00 0.00 0.00 -1.10 -4.58 120.51 115.51 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 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.05 0.00 0.18 0.00 1.44 -1.10 0.23 115.22 115.91 2k3m n HIS 72 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 2k3m n HIS 72 Cb 0.01 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.05 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 -0.45 -0.77 -1.40 2.86 -1.85 -3.29 114.93 110.04 2k3m h MET 73 Ca 0.00 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.81 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 -0.14 -0.31 -0.39 1.06 0.00 0.00 176.91 177.13 2k3m h VAL 74 N -0.77 0.13 0.00 -2.22 -1.51 0.24 0.76 116.25 112.87 2k3m h VAL 74 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2k3m h VAL 74 Cb 0.51 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 2k3m h VAL 74 CO 0.08 0.00 0.92 0.59 -1.23 0.00 0.00 177.57 177.92 2k3m n ASN 75 N -5.47 0.00 0.04 4.19 4.13 -1.24 0.20 115.26 117.12 2k3m n ASN 75 Ca 0.08 0.45 0.21 0.00 1.68 0.00 0.00 54.58 57.00 2k3m n ASN 75 Cb 0.38 0.00 0.62 0.00 -1.54 0.00 0.00 39.78 39.24 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2k3m h GLY 76 N 0.00 0.00 0.91 7.41 0.00 0.37 0.44 103.07 112.20 2k3m h GLY 76 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2k3m h GLY 76 CO 0.00 0.00 0.45 0.16 0.00 0.00 0.00 176.54 177.15 2k3m h ILE 77 N 0.00 1.12 -0.18 2.60 3.07 0.21 -0.33 117.51 124.01 2k3m h ILE 77 Ca 0.25 -0.30 0.05 0.00 1.55 0.00 0.00 64.86 66.41 2k3m h ILE 77 Cb 1.65 0.16 -0.01 0.00 -0.27 0.00 0.00 36.82 38.35 2k3m h ILE 77 CO -0.00 0.16 0.21 0.58 -1.05 0.00 0.00 178.15 178.05 2k3m h VAL 78 N 0.89 0.44 0.08 0.16 2.07 -0.34 2.55 116.25 122.09 2k3m h VAL 78 Ca 0.27 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.45 2k3m h VAL 78 Cb -0.02 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2k3m h VAL 78 CO -0.09 0.00 -1.96 2.30 0.02 0.00 0.00 177.57 177.84 2k3m n ILE 79 N -3.75 1.71 0.41 4.57 -6.64 -0.82 -3.00 119.36 111.84 2k3m n ILE 79 Ca 0.01 -0.69 0.13 0.00 -1.77 0.00 0.00 62.75 60.43 2k3m n ILE 79 Cb 0.33 -1.50 0.29 0.00 -1.44 0.00 0.00 39.64 37.32 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k3m h ALA 80 N 0.34 1.00 0.00 -1.28 0.00 0.28 -2.07 119.26 117.53 2k3m h ALA 80 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k3m h ALA 80 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2k3m h ALA 80 CO 0.07 0.00 -0.16 0.39 0.00 0.00 0.00 179.25 179.56 2k3m n GLU 81 N -2.71 0.12 0.22 0.00 -0.58 0.84 -4.48 120.64 114.05 2k3m n GLU 81 Ca 0.05 0.27 0.15 0.00 -0.42 0.00 0.00 57.16 57.21 2k3m n GLU 81 Cb 0.48 -0.95 0.54 0.00 -0.57 0.00 0.00 31.44 30.94 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2k3m h ASP 82 N -0.26 0.00 -0.05 1.62 5.19 -1.71 -3.35 116.42 117.85 2k3m h ASP 82 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2k3m h ASP 82 Cb 0.16 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2k3m h ASP 82 CO 0.00 0.00 -0.02 0.00 -3.12 0.00 0.00 179.24 176.10 2k3m n ALA 83 N -1.98 0.01 -0.20 3.45 0.00 -0.78 -0.18 120.51 120.83 2k3m n ALA 83 Ca 0.02 0.06 0.20 0.00 0.00 0.00 0.00 53.44 53.71 2k3m n ALA 83 Cb 0.32 -0.03 0.36 0.00 0.00 0.00 0.00 19.45 20.10 2k3m n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k3m n LEU 84 N -4.09 0.20 -0.06 0.00 7.99 -1.26 0.12 117.00 119.91 2k3m n LEU 84 Ca 0.01 0.98 -0.20 0.00 -0.01 0.00 0.00 56.01 56.78 2k3m n LEU 84 Cb 0.03 -0.48 -0.13 0.00 -0.11 0.00 0.00 43.42 42.73 2k3m n LEU 84 CO -0.01 -1.09 -1.07 -0.38 -1.51 0.00 0.00 177.39 173.33 2k3m n ILE 85 N -4.31 1.64 0.21 -0.08 5.41 0.75 -4.09 119.36 118.89 2k3m n ILE 85 Ca 0.23 -0.60 -0.17 0.00 1.00 0.00 0.00 62.75 63.21 2k3m n ILE 85 Cb 0.79 -1.60 -0.09 0.00 -0.71 0.00 0.00 39.64 38.03 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 0.01 -1.02 0.00 -1.39 0.00 0.94 -0.14 119.26 117.66 2k3m h ALA 86 Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2k3m h ALA 86 Cb 1.95 0.76 0.00 0.00 0.00 0.00 0.00 17.79 20.51 2k3m h ALA 86 CO -0.01 -1.13 0.00 -0.85 0.00 0.00 0.00 179.25 177.26 2k3m n GLU 87 N -5.52 0.13 0.21 0.00 0.28 0.01 0.21 120.64 115.96 2k3m n GLU 87 Ca -0.10 0.57 0.13 0.00 -0.16 0.00 0.00 57.16 57.60 2k3m n GLU 87 Cb 0.43 -1.89 0.34 0.00 1.43 0.00 0.00 31.44 31.76 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3m h ALA 88 N 2.07 1.00 -0.57 -1.84 0.00 -1.18 -3.00 119.26 115.73 2k3m h ALA 88 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 2k3m h ALA 88 Cb 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.63 2k3m h ALA 88 CO 0.00 0.00 -0.23 1.33 0.00 0.00 0.00 179.25 180.35 2k3m n VAL 89 N -2.93 2.69 0.06 0.00 0.24 0.13 -4.72 118.33 113.82 2k3m n VAL 89 Ca 0.03 -3.36 -0.04 0.00 -2.04 0.00 0.00 64.34 58.93 2k3m n VAL 89 Cb 0.45 -0.74 0.17 0.00 -1.47 0.00 0.00 33.84 32.25 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 1.58 0.36 0.39 7.63 0.00 -1.43 -3.13 103.07 108.47 2k3m h GLY 90 Ca 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2k3m h GLY 90 CO 0.69 0.33 0.14 -1.05 0.00 0.00 0.00 176.54 176.65 2k3m n PRO 91 N -4.00 0.00 0.18 4.80 -0.02 -1.26 -2.59 135.00 132.12 2k3m n PRO 91 Ca -0.02 0.06 0.06 0.00 -2.02 0.00 0.00 63.50 61.58 2k3m n PRO 91 Cb 0.51 -1.64 0.32 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.56 6.00 2.07 -1.95 0.31 115.15 122.14 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 0.29 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.27 2k3m h HIS 92 CO 0.00 0.00 -0.27 1.37 -3.07 0.00 0.00 177.93 175.96 2k3m h LEU 93 N 0.00 -0.64 0.81 6.12 8.10 -1.83 0.76 115.31 128.63 2k3m h LEU 93 Ca 0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 57.88 57.91 2k3m h LEU 93 Cb 0.83 0.17 0.01 0.00 -0.44 0.00 0.00 40.66 41.22 2k3m h LEU 93 CO 0.00 -0.27 -0.40 0.00 -4.11 0.00 0.00 178.44 173.66 2k3m h ALA 94 N -0.88 -1.11 0.61 0.17 0.00 -0.70 -1.04 119.26 116.31 2k3m h ALA 94 Ca -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2k3m h ALA 94 Cb 0.64 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2k3m h ALA 94 CO 0.13 -1.13 -0.29 0.00 0.00 0.00 0.00 179.25 177.96 2k3m h ARG 95 N -1.11 -0.79 0.00 0.00 3.08 -1.56 -0.26 114.38 113.74 2k3m h ARG 95 Ca -0.11 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2k3m h ARG 95 Cb 0.86 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2k3m h ARG 95 CO 0.18 -0.53 0.29 0.00 -1.07 0.00 0.00 179.97 178.84 2k3m n ALA 96 N -2.44 0.48 0.00 0.04 0.00 0.26 -4.32 120.51 114.52 2k3m n ALA 96 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k3m n ALA 96 Cb 0.32 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.40 0.00 0.12 0.00 0.00 -0.11 0.38 117.00 115.99 2k3m n LEU 97 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 56.01 56.20 2k3m n LEU 97 Cb 0.30 0.00 0.71 0.00 0.00 0.00 0.00 43.42 44.42 2k3m n LEU 97 CO 0.01 0.00 1.17 1.23 0.00 0.00 0.00 177.39 179.80 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.84 6.82 103.07 106.09 2k3m h GLY 98 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2k3m h GLY 98 CO 0.00 0.00 -0.09 1.46 0.00 0.00 0.00 176.54 177.91 2k3m h GLN 99 N 0.00 0.00 -0.51 4.80 4.20 0.67 0.19 115.11 124.46 2k3m h GLN 99 Ca 0.18 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2k3m h GLN 99 Cb 1.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 2k3m h GLN 99 CO -0.00 0.09 0.06 0.97 -0.67 0.00 0.00 178.83 179.27 2k3m h ILE 100 N 0.00 1.24 0.54 2.54 6.09 1.41 -2.84 117.51 126.48 2k3m h ILE 100 Ca -0.00 -0.92 -0.02 0.00 -1.37 0.00 0.00 64.86 62.54 2k3m h ILE 100 Cb 0.35 0.79 -0.00 0.00 0.47 0.00 0.00 36.82 38.42 2k3m h ILE 100 CO 0.01 0.33 -0.34 0.58 -3.07 0.00 0.00 178.15 175.66 2k3m h VAL 101 N 0.77 0.00 0.00 2.19 2.07 -0.40 0.48 116.25 121.36 2k3m h VAL 101 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2k3m h VAL 101 Cb 0.39 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2k3m h VAL 101 CO 0.01 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.07 2k3m h ARG 103 N 0.00 0.09 -0.51 0.00 2.43 -0.89 -2.90 114.38 112.61 2k3m h ARG 103 Ca 0.00 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 2k3m h ARG 103 Cb 0.93 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 2k3m h ARG 103 CO 0.00 1.08 0.07 2.48 -1.51 0.00 0.00 179.97 182.09 2k3m n TYR 104 N -4.13 1.78 -0.44 2.20 4.11 0.15 -4.62 117.16 116.21 2k3m n TYR 104 Ca -0.31 -0.97 0.00 0.00 -0.00 0.00 0.00 57.90 56.62 2k3m n TYR 104 Cb 0.80 -0.50 0.00 0.00 -0.00 0.00 0.00 39.34 39.64 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 -0.07 0.44 0.01 -7.48 0.00 1.80 -4.87 105.19 95.02 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 0.89 4.61 0.00 -0.30 -4.41 120.51 121.30 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 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.01 0.00 0.04 0.00 -1.04 -1.26 -3.95 114.28 108.07 2k3m n THR 107 Ca 0.00 -0.28 0.09 0.00 -2.04 0.00 0.00 64.05 61.82 2k3m n THR 107 Cb 0.00 1.22 0.27 0.00 -1.82 0.00 0.00 70.33 70.00 2k3m n THR 107 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2k3m n VAL 108 N -0.11 1.02 -0.03 12.58 0.24 -1.26 -4.18 118.33 126.58 2k3m n VAL 108 Ca 0.08 -0.83 -0.02 0.00 -2.04 0.00 0.00 64.34 61.53 2k3m n VAL 108 Cb 0.41 0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 32.99 2k3m n VAL 108 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2k3m n ILE 109 N 1.09 0.40 -0.11 1.34 -5.35 -1.25 -4.77 119.36 110.69 2k3m n ILE 109 Ca 0.20 -0.28 -0.06 0.00 -0.27 0.00 0.00 62.75 62.34 2k3m n ILE 109 Cb 0.58 -0.57 0.13 0.00 -1.74 0.00 0.00 39.64 38.03 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2k3m h PRO 110 N 0.00 0.82 0.16 6.28 0.13 -1.76 0.62 132.00 138.25 2k3m h PRO 110 Ca -0.16 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2k3m h PRO 110 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k3m h PRO 110 CO 0.01 0.85 -0.08 -0.97 -0.23 0.00 0.00 178.00 177.58 2k3m h ASN 111 N 0.75 -0.18 -0.85 1.44 -1.24 -1.86 -1.06 115.58 112.58 2k3m h ASN 111 Ca 0.14 0.01 0.15 0.00 0.71 0.00 0.00 56.30 57.30 2k3m h ASN 111 Cb 0.52 0.05 -0.10 0.00 0.73 0.00 0.00 38.32 39.53 2k3m h ASN 111 CO 0.03 -0.11 0.44 0.16 -1.29 0.00 0.00 177.43 176.66 2k3m h ILE 112 N -0.26 0.72 -0.30 2.57 3.07 -1.86 -1.11 117.51 120.32 2k3m h ILE 112 Ca -0.02 -0.21 0.07 0.00 1.55 0.00 0.00 64.86 66.25 2k3m h ILE 112 Cb 0.17 0.05 -0.08 0.00 -0.27 0.00 0.00 36.82 36.69 2k3m h ILE 112 CO 0.04 0.11 -0.27 0.78 -1.05 0.00 0.00 178.15 177.76 2k3m h ASN 113 N 0.61 -0.88 -0.27 2.16 4.21 -0.78 2.89 115.58 123.51 2k3m h ASN 113 Ca 0.47 0.16 -0.04 0.00 1.21 0.00 0.00 56.30 58.10 2k3m h ASN 113 Cb 0.67 0.42 -0.02 0.00 -1.12 0.00 0.00 38.32 38.27 2k3m h ASN 113 CO -0.37 -0.30 0.07 0.00 -1.29 0.00 0.00 177.43 175.54 2k3m h ALA 114 N 0.80 1.45 0.00 -0.83 0.00 0.05 -1.98 119.26 118.75 2k3m h ALA 114 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k3m h ALA 114 Cb 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k3m h ALA 114 CO -0.45 0.40 -0.23 0.00 0.00 0.00 0.00 179.25 178.97 2k3m h ALA 115 N 1.56 0.00 0.38 0.00 0.00 -0.02 -3.17 119.26 118.02 2k3m h ALA 115 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 115 Cb 0.23 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2k3m h ALA 115 CO -0.00 0.23 -0.42 0.97 0.00 0.00 0.00 179.25 180.03 2k3m h ILE 116 N -1.00 0.00 -0.75 0.00 2.10 0.49 1.09 117.51 119.45 2k3m h ILE 116 Ca 0.00 0.00 0.16 0.00 1.08 0.00 0.00 64.86 66.10 2k3m h ILE 116 Cb 0.23 0.00 -0.14 0.00 -1.09 0.00 0.00 36.82 35.82 2k3m h ILE 116 CO 0.00 0.00 -0.13 -0.33 -1.08 0.00 0.00 178.15 176.61 2k3m h GLU 117 N -0.81 0.03 -0.01 2.19 5.08 -1.37 3.13 114.58 122.82 2k3m h GLU 117 Ca -0.05 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2k3m h GLU 117 Cb 0.71 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2k3m h GLU 117 CO -0.07 0.02 -0.13 0.28 -1.00 0.00 0.00 179.01 178.11 2k3m h VAL 118 N 0.03 1.10 0.00 3.13 2.07 -1.31 0.36 116.25 121.63 2k3m h VAL 118 Ca 0.37 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2k3m h VAL 118 Cb 0.61 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2k3m h VAL 118 CO -0.74 0.14 -0.02 0.25 0.02 0.00 0.00 177.57 177.22 2k3m h LEU 119 N 0.02 0.00 0.00 2.57 5.85 1.36 -3.42 115.31 121.70 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 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2k3m h LEU 119 CO 0.02 0.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.09 2k3m n GLY 120 N 1.83 -2.29 0.00 3.75 0.00 0.53 -5.01 105.19 104.01 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 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 121 N -0.16 0.00 0.00 2.61 5.66 0.12 -4.95 114.28 117.57 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k3m n GLY 122 N 0.00 2.33 3.48 1.09 0.00 -1.26 -4.76 105.19 106.08 2k3m n GLY 122 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.78 0.00 -3.80 2.61 5.66 -1.26 -4.65 114.28 111.06 2k3m n THR 123 Ca 0.00 -0.40 -0.05 0.00 -3.05 0.00 0.00 64.05 60.55 2k3m n THR 123 Cb 0.00 -1.26 -0.01 0.00 -1.55 0.00 0.00 70.33 67.51 2k3m n THR 123 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2k3m s ASP 124 N 6.43 -0.16 -0.06 1.09 1.01 -1.26 -4.91 116.67 118.82 2k3m s ASP 124 Ca 0.90 -0.55 -0.12 0.00 0.71 0.00 0.00 52.55 53.49 2k3m s ASP 124 Cb -0.28 0.58 0.02 0.00 1.01 0.00 0.00 42.92 44.26 2k3m s ASP 124 CO 0.22 -1.10 0.28 -0.47 0.21 0.00 0.00 175.17 174.31 2k3m s TYR 125 N -3.26 -0.22 -0.00 4.23 5.04 -1.26 -5.12 117.35 116.76 2k3m s TYR 125 Ca 0.13 0.46 -0.08 0.00 -2.44 0.00 0.00 57.07 55.14 2k3m s TYR 125 Cb -0.03 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.37 2k3m s TYR 125 CO 0.05 -0.27 0.17 1.03 -1.34 0.00 0.00 175.55 175.18 2k3m s ARG 126 N -0.66 0.50 0.00 4.97 1.81 -1.26 -4.96 118.95 119.35 2k3m s ARG 126 Ca -0.08 -0.33 0.30 0.00 -1.72 0.00 0.00 55.73 53.91 2k3m s ARG 126 Cb -0.04 0.21 1.57 0.00 -0.45 0.00 0.00 34.95 36.24 2k3m s ARG 126 CO 0.02 -0.12 2.04 1.97 -0.68 0.00 0.00 175.30 178.53