#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3m n SER 2 N 0.00 3.37 0.00 7.83 3.41 -1.26 -4.85 113.62 122.12 2k3m n SER 2 Ca 0.00 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 2k3m n SER 2 Cb 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2k3m n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k3m n ASP 3 N 0.89 0.00 -3.77 4.04 2.03 -1.26 -5.18 116.55 113.30 2k3m n ASP 3 Ca 0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 2k3m n ASP 3 Cb 0.52 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.83 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2k3m s PHE 4 N 0.00 -0.26 -0.01 -0.67 5.36 -1.26 -5.17 117.98 115.97 2k3m s PHE 4 Ca 0.00 0.56 -0.22 0.00 -0.96 0.00 0.00 56.93 56.31 2k3m s PHE 4 Cb 0.00 0.10 0.05 0.00 -0.34 0.00 0.00 43.02 42.83 2k3m s PHE 4 CO 0.00 -0.27 0.49 0.16 -1.46 0.00 0.00 175.22 174.14 2k3m s ASP 5 N -0.55 -0.41 1.20 6.13 1.47 -1.26 -5.08 116.67 118.18 2k3m s ASP 5 Ca -0.07 0.31 -0.18 0.00 1.18 0.00 0.00 52.55 53.80 2k3m s ASP 5 Cb -0.04 0.44 0.28 0.00 -0.34 0.00 0.00 42.92 43.27 2k3m s ASP 5 CO 0.02 -0.58 1.07 -0.89 0.68 0.00 0.00 175.17 175.47 2k3m s THR 6 N -1.63 1.63 0.07 2.11 2.01 -1.26 -4.33 115.64 114.24 2k3m s THR 6 Ca -0.10 0.00 -0.36 0.00 0.31 0.00 0.00 61.69 61.54 2k3m s THR 6 Cb -0.02 -2.40 -0.19 0.00 0.01 0.00 0.00 72.50 69.90 2k3m s THR 6 CO 0.04 0.00 1.59 -0.08 -0.69 0.00 0.00 174.62 175.48 2k3m h GLU 7 N -2.62 -1.07 -0.40 4.92 4.81 -2.01 5.04 114.58 123.25 2k3m h GLU 7 Ca -0.47 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 58.91 2k3m h GLU 7 Cb 1.31 0.24 -0.09 0.00 0.63 0.00 0.00 28.75 30.84 2k3m h GLU 7 CO 0.38 -0.71 -0.35 0.00 -0.73 0.00 0.00 179.01 177.60 2k3m h ARG 8 N -1.11 -0.26 -0.06 1.92 3.08 -1.96 2.30 114.38 118.29 2k3m h ARG 8 Ca -0.10 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2k3m h ARG 8 Cb 0.88 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 2k3m h ARG 8 CO 0.11 -0.17 0.01 0.28 -1.07 0.00 0.00 179.97 179.13 2k3m h VAL 9 N -0.27 1.20 0.28 2.04 2.07 -1.87 -1.60 116.25 118.09 2k3m h VAL 9 Ca 0.17 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2k3m h VAL 9 Cb 0.55 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2k3m h VAL 9 CO -0.55 0.17 -0.13 0.28 0.02 0.00 0.00 177.57 177.35 2k3m h SER 10 N -0.14 -0.31 0.68 0.57 0.02 1.17 -2.47 113.55 113.07 2k3m h SER 10 Ca 0.02 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2k3m h SER 10 Cb 0.26 0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.89 2k3m h SER 10 CO 0.00 -0.14 -0.33 -0.09 -1.14 0.00 0.00 176.83 175.14 2k3m h ARG 11 N -0.55 -0.88 -0.66 3.45 2.43 0.36 1.19 114.38 119.74 2k3m h ARG 11 Ca -0.04 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.33 2k3m h ARG 11 Cb 0.28 0.20 -0.12 0.00 -0.42 0.00 0.00 29.97 29.92 2k3m h ARG 11 CO 0.06 -0.55 -0.05 0.00 -1.51 0.00 0.00 179.97 177.92 2k3m h ALA 12 N -0.97 0.59 0.08 2.80 0.00 -1.06 1.83 119.26 122.54 2k3m h ALA 12 Ca -0.09 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k3m h ALA 12 Cb 0.73 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k3m h ALA 12 CO 0.15 -0.41 -0.04 0.28 0.00 0.00 0.00 179.25 179.23 2k3m h VAL 13 N 0.07 0.99 0.55 0.00 2.07 -1.35 0.81 116.25 119.39 2k3m h VAL 13 Ca 0.34 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2k3m h VAL 13 Cb 0.56 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2k3m h VAL 13 CO -0.61 0.06 -0.39 0.00 0.02 0.00 0.00 177.57 176.65 2k3m h ALA 14 N 0.70 -1.15 -0.18 1.67 0.00 0.54 4.30 119.26 125.13 2k3m h ALA 14 Ca -0.01 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 14 Cb 0.18 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2k3m h ALA 14 CO 0.02 -1.14 -0.29 0.00 0.00 0.00 0.00 179.25 177.84 2k3m h ALA 15 N -1.24 -0.27 0.44 0.00 0.00 0.26 2.17 119.26 120.61 2k3m h ALA 15 Ca -0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k3m h ALA 15 Cb 0.74 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2k3m h ALA 15 CO 0.04 -0.75 -0.21 0.00 0.00 0.00 0.00 179.25 178.33 2k3m h ALA 16 N 0.58 -0.59 0.11 0.00 0.00 0.82 2.54 119.26 122.73 2k3m h ALA 16 Ca 0.11 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k3m h ALA 16 Cb 0.51 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2k3m h ALA 16 CO -0.37 -0.79 -0.25 1.25 0.00 0.00 0.00 179.25 179.08 2k3m h LEU 17 N -0.66 -0.72 0.41 0.00 5.85 0.90 1.55 115.31 122.64 2k3m h LEU 17 Ca -0.06 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k3m h LEU 17 Cb 0.49 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2k3m h LEU 17 CO 0.10 -0.34 -0.19 -0.37 -0.34 0.00 0.00 178.44 177.29 2k3m h VAL 18 N -0.45 0.40 -1.29 1.05 -1.51 0.36 -3.35 116.25 111.46 2k3m h VAL 18 Ca 0.03 -0.61 -0.03 0.00 -1.23 0.00 0.00 66.70 64.87 2k3m h VAL 18 Cb 0.48 0.61 0.02 0.00 -2.13 0.00 0.00 31.29 30.27 2k3m h VAL 18 CO -0.15 0.08 -0.01 0.61 -1.23 0.00 0.00 177.57 176.87 2k3m n GLY 19 N -0.11 -3.35 0.11 5.19 0.00 0.85 -4.87 105.19 103.02 2k3m n GLY 19 Ca -0.09 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 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 0.40 1.61 0.13 -1.76 -3.30 132.00 129.08 2k3m h PRO 20 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2k3m h PRO 20 Cb 0.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.21 2k3m h PRO 20 CO 0.02 0.68 -0.33 0.78 -0.23 0.00 0.00 178.00 178.92 2k3m h GLY 21 N 3.18 -0.80 0.99 1.56 0.00 -1.83 4.05 103.07 110.22 2k3m h GLY 21 Ca -0.01 0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 2k3m h GLY 21 CO 0.09 -0.29 -0.28 -1.33 0.00 0.00 0.00 176.54 174.72 2k3m h GLY 22 N -0.73 -0.82 1.46 4.60 0.00 0.21 -1.34 103.07 106.44 2k3m h GLY 22 Ca -0.03 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.61 2k3m h GLY 22 CO -0.02 -0.30 0.35 -2.08 0.00 0.00 0.00 176.54 174.50 2k3m h VAL 23 N -0.80 1.12 0.65 4.60 2.07 -1.35 0.30 116.25 122.83 2k3m h VAL 23 Ca -0.08 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2k3m h VAL 23 Cb 0.61 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2k3m h VAL 23 CO 0.13 0.13 -0.40 0.00 0.02 0.00 0.00 177.57 177.44 2k3m h ALA 24 N 1.67 -1.21 -0.53 1.67 0.00 0.85 0.65 119.26 122.37 2k3m h ALA 24 Ca 0.20 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2k3m h ALA 24 Cb -0.05 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k3m h ALA 24 CO -0.05 -1.17 0.07 1.25 0.00 0.00 0.00 179.25 179.35 2k3m h LEU 25 N -0.99 0.85 0.90 0.00 5.85 -1.08 -0.02 115.31 120.83 2k3m h LEU 25 Ca -0.09 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 2k3m h LEU 25 Cb 0.79 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.61 2k3m h LEU 25 CO 0.09 0.91 -0.43 0.58 -0.34 0.00 0.00 178.44 179.24 2k3m h VAL 26 N 0.77 0.00 -0.70 1.05 2.07 -0.90 0.36 116.25 118.90 2k3m h VAL 26 Ca 0.16 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2k3m h VAL 26 Cb 0.43 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2k3m h VAL 26 CO 0.01 0.00 0.30 0.58 0.02 0.00 0.00 177.57 178.48 2k3m h VAL 27 N -1.29 1.23 0.40 2.57 2.07 -0.92 0.67 116.25 120.98 2k3m h VAL 27 Ca -0.12 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2k3m h VAL 27 Cb 0.93 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2k3m h VAL 27 CO 0.20 0.29 -0.19 0.50 0.02 0.00 0.00 177.57 178.39 2k3m h LYS 28 N 1.00 -0.52 -0.35 1.57 3.64 -0.97 0.82 116.57 121.76 2k3m h LYS 28 Ca 0.24 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2k3m h LYS 28 Cb 0.16 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2k3m h LYS 28 CO -0.02 -0.24 0.09 0.28 -2.27 0.00 0.00 179.45 177.28 2k3m h VAL 29 N -0.76 1.22 0.64 2.00 2.07 -0.83 0.95 116.25 121.55 2k3m h VAL 29 Ca -0.05 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 2k3m h VAL 29 Cb 0.52 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2k3m h VAL 29 CO 0.09 0.26 -0.31 0.00 0.02 0.00 0.00 177.57 177.63 2k3m h ALA 31 N -1.35 -0.79 -1.51 0.00 0.00 0.66 -3.49 119.26 112.78 2k3m h ALA 31 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k3m h ALA 31 Cb 0.66 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k3m h ALA 31 CO 0.14 -0.85 0.00 0.41 0.00 0.00 0.00 179.25 178.95 2k3m n GLY 32 N -0.90 0.15 0.94 0.00 0.00 0.33 -4.95 105.19 100.76 2k3m n GLY 32 Ca -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2k3m n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k3m n LEU 33 N -0.40 -1.26 -0.10 0.99 7.94 -1.25 -4.94 117.00 117.98 2k3m n LEU 33 Ca 0.00 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.04 2k3m n LEU 33 Cb 0.15 -0.63 0.53 0.00 0.53 0.00 0.00 43.42 44.00 2k3m n LEU 33 CO 0.00 0.00 1.19 -0.65 -1.11 0.00 0.00 177.39 176.82 2k3m h PRO 34 N 0.00 0.34 0.45 1.96 0.11 -1.90 -2.99 132.00 129.97 2k3m h PRO 34 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2k3m h PRO 34 Cb 0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 2k3m h PRO 34 CO 0.00 0.22 -0.45 0.78 -0.21 0.00 0.00 178.00 178.34 2k3m h GLY 35 N 0.35 -1.10 -1.98 -0.55 0.00 -1.94 -3.41 103.07 94.45 2k3m h GLY 35 Ca 0.30 0.52 -0.49 0.00 0.00 0.00 0.00 47.33 47.66 2k3m h GLY 35 CO -0.08 -0.35 0.13 -1.34 0.00 0.00 0.00 176.54 174.91 2k3m s VAL 36 N -5.92 4.88 0.00 4.60 -7.23 -1.13 -5.00 120.40 110.60 2k3m s VAL 36 Ca -0.18 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 2k3m s VAL 36 Cb 0.05 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.13 2k3m s VAL 36 CO 0.62 -0.87 0.00 0.00 -0.31 0.00 0.00 175.10 174.54 2k3m n ILE 37 N -2.30 0.00 -3.79 -0.62 3.06 -1.26 -4.79 119.36 109.66 2k3m n ILE 37 Ca 0.01 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.12 2k3m n ILE 37 Cb 0.55 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.58 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 -0.03 0.01 9.51 3.76 -1.26 -5.11 115.29 122.17 2k3m s HIS 38 Ca 0.00 0.19 0.06 0.00 -0.15 0.00 0.00 55.06 55.16 2k3m s HIS 38 Cb 0.00 -0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.53 2k3m s HIS 38 CO 0.00 -0.08 -0.16 0.95 -0.85 0.00 0.00 174.74 174.60 2k3m s THR 39 N 0.77 2.96 0.00 1.30 -4.23 -1.26 -5.09 115.64 110.08 2k3m s THR 39 Ca -0.06 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2k3m s THR 39 Cb -0.09 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.53 2k3m s THR 39 CO -0.03 0.42 0.14 -0.81 -0.54 0.00 0.00 174.62 173.80 2k3m n PRO 40 N 1.77 0.00 -2.60 3.99 -0.04 -1.26 -4.82 135.00 132.04 2k3m n PRO 40 Ca -0.16 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.87 2k3m n PRO 40 Cb 0.52 -0.56 -0.02 0.00 -0.04 0.00 0.00 33.50 33.40 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 -3.22 3.49 0.07 0.55 0.00 -1.26 -4.93 121.76 116.46 2k3m s ALA 41 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 2k3m s ALA 41 Cb 0.00 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.72 2k3m s ALA 41 CO 0.00 -0.76 1.12 -0.98 0.00 0.00 0.00 175.76 175.13 2k3m s ARG 42 N 2.37 0.81 0.00 0.00 1.70 -1.26 -4.96 118.95 117.60 2k3m s ARG 42 Ca 0.50 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 2k3m s ARG 42 Cb -0.20 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.46 2k3m s ARG 42 CO 0.17 -0.37 0.05 -2.13 -1.08 0.00 0.00 175.30 171.94 2k3m n ARG 43 N -0.47 0.08 0.00 3.89 3.00 -1.26 -4.61 116.66 117.29 2k3m n ARG 43 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2k3m n ARG 43 Cb 0.62 -1.03 0.00 0.00 0.00 0.00 0.00 32.46 32.04 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 0.29 2.83 3.81 5.14 0.00 -1.26 -4.88 105.19 111.11 2k3m n GLY 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2k3m n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k3m s PHE 45 N -0.89 -0.07 0.00 1.61 0.40 -1.26 -5.13 117.98 112.64 2k3m s PHE 45 Ca 0.00 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2k3m s PHE 45 Cb 0.00 0.70 0.00 0.00 0.51 0.00 0.00 43.02 44.23 2k3m s PHE 45 CO 0.00 -1.04 0.00 1.19 0.70 0.00 0.00 175.22 176.07 2k3m n PHE 46 N -0.52 0.00 0.00 0.36 3.72 -1.26 -5.07 117.46 114.69 2k3m n PHE 46 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2k3m n PHE 46 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 2k3m n PHE 46 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2k3m n ARG 47 N 0.00 0.00 -2.47 -1.08 1.85 -1.26 -5.10 116.66 108.60 2k3m n ARG 47 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k3m s ASN 49 N -2.69 0.15 -1.27 0.00 0.01 -1.26 -5.07 114.94 104.82 2k3m s ASN 49 Ca 0.03 -0.42 -0.16 0.00 -0.71 0.00 0.00 52.86 51.60 2k3m s ASN 49 Cb -0.00 0.18 -0.02 0.00 0.41 0.00 0.00 41.25 41.82 2k3m s ASN 49 CO 0.46 -0.40 2.15 -0.81 -1.51 0.00 0.00 177.10 176.99 2k3m n PRO 50 N 1.23 2.47 -2.05 -0.60 -0.04 -1.26 -4.26 135.00 130.50 2k3m n PRO 50 Ca -0.22 -2.38 -0.16 0.00 -0.04 0.00 0.00 63.50 60.70 2k3m n PRO 50 Cb 0.56 -3.18 -0.03 0.00 -0.04 0.00 0.00 33.50 30.82 2k3m n PRO 50 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k3m n GLU 51 N 6.33 -1.24 -4.03 0.54 4.07 -1.26 -4.99 120.64 120.06 2k3m n GLU 51 Ca 0.51 0.87 -0.36 0.00 -0.06 0.00 0.00 57.16 58.12 2k3m n GLU 51 Cb 0.39 -5.20 -0.07 0.00 -0.06 0.00 0.00 31.44 26.50 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2k3m s ARG 52 N -4.36 3.37 0.33 5.31 1.81 -1.26 -5.07 118.95 119.07 2k3m s ARG 52 Ca 0.00 -0.23 -0.29 0.00 -1.72 0.00 0.00 55.73 53.49 2k3m s ARG 52 Cb 0.00 -3.08 -0.10 0.00 -0.45 0.00 0.00 34.95 31.31 2k3m s ARG 52 CO 0.00 0.70 1.32 -1.50 -0.68 0.00 0.00 175.30 175.15 2k3m s ILE 53 N -0.84 2.69 -1.11 1.52 2.07 -1.26 -4.83 121.20 119.44 2k3m s ILE 53 Ca 0.13 0.69 -0.25 0.00 -1.41 0.00 0.00 60.65 59.81 2k3m s ILE 53 Cb -0.12 -3.44 -0.18 0.00 0.13 0.00 0.00 42.46 38.85 2k3m s ILE 53 CO 0.03 0.16 2.06 0.00 -1.91 0.00 0.00 174.94 175.28 2k3m s GLN 54 N -1.70 1.57 0.06 3.50 -2.07 -1.26 -4.80 119.66 114.97 2k3m s GLN 54 Ca 0.50 -0.65 -0.11 0.00 -1.82 0.00 0.00 55.36 53.28 2k3m s GLN 54 Cb -0.40 -5.06 0.01 0.00 -1.09 0.00 0.00 33.01 26.47 2k3m s GLN 54 CO 0.53 -5.05 0.23 -1.50 -1.32 0.00 0.00 175.29 168.18 2k3m s ILE 55 N 15.22 0.11 0.00 3.63 2.07 -1.26 -4.92 121.20 136.05 2k3m s ILE 55 Ca 0.78 -0.92 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 2k3m s ILE 55 Cb -0.04 -1.08 0.00 0.00 0.13 0.00 0.00 42.46 41.48 2k3m s ILE 55 CO 0.17 -0.51 0.00 0.61 -1.91 0.00 0.00 174.94 173.30 2k3m n GLY 56 N 0.35 0.92 3.55 1.50 0.00 -1.26 -5.05 105.19 105.21 2k3m n GLY 56 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.45 6.21 0.80 1.61 -4.77 -1.26 -4.98 116.67 112.84 2k3m s ASP 57 Ca 0.00 -0.75 -0.07 0.00 -3.30 0.00 0.00 52.55 48.42 2k3m s ASP 57 Cb 0.00 -2.56 0.14 0.00 -1.09 0.00 0.00 42.92 39.41 2k3m s ASP 57 CO 0.00 -1.77 1.11 0.26 0.70 0.00 0.00 175.17 175.47 2k3m s TRP 58 N 5.72 1.84 -0.15 2.11 0.52 -1.26 -5.06 118.94 122.66 2k3m s TRP 58 Ca 0.41 0.06 -0.13 0.00 0.02 0.00 0.00 56.10 56.46 2k3m s TRP 58 Cb -0.06 -3.43 -0.09 0.00 -1.15 0.00 0.00 33.47 28.75 2k3m s TRP 58 CO 0.07 -1.98 0.05 0.00 0.02 0.00 0.00 176.95 175.11 2k3m h ARG 59 N -0.93 0.00 0.00 4.98 -0.00 -2.01 -3.39 114.38 113.04 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 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.23 2k3m h ARG 59 CO 0.43 0.37 -1.16 0.98 0.00 0.00 0.00 179.97 180.59 2k3m n TYR 60 N -4.59 0.42 0.71 3.04 9.36 -1.26 -4.15 117.16 120.68 2k3m n TYR 60 Ca -0.13 0.12 0.13 0.00 3.32 0.00 0.00 57.90 61.34 2k3m n TYR 60 Cb 0.35 -0.59 0.47 0.00 -0.63 0.00 0.00 39.34 38.94 2k3m n TYR 60 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2k3m n GLU 61 N -2.20 0.17 -0.11 2.98 2.13 -1.26 -4.05 120.64 118.29 2k3m n GLU 61 Ca 0.00 0.17 -0.09 0.00 0.66 0.00 0.00 57.16 57.91 2k3m n GLU 61 Cb 0.49 -1.71 -0.03 0.00 0.27 0.00 0.00 31.44 30.45 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 0.17 0.18 6.31 -1.51 -1.75 2.28 116.25 121.93 2k3m h VAL 62 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2k3m h VAL 62 Cb 0.62 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 2k3m h VAL 62 CO 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 176.25 2k3m h ALA 63 N 0.57 -0.25 -0.03 5.19 0.00 -1.88 3.20 119.26 126.06 2k3m h ALA 63 Ca 0.15 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2k3m h ALA 63 Cb 0.57 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2k3m h ALA 63 CO -0.55 -0.51 -0.44 1.25 0.00 0.00 0.00 179.25 179.00 2k3m h HIS 64 N -0.50 -1.27 -0.11 0.00 6.17 -1.46 -0.68 115.15 117.31 2k3m h HIS 64 Ca -0.03 0.04 -0.05 0.00 0.71 0.00 0.00 60.37 61.05 2k3m h HIS 64 Cb 0.38 0.56 -0.00 0.00 2.52 0.00 0.00 27.41 30.87 2k3m h HIS 64 CO 0.01 -0.51 -0.12 0.22 0.71 0.00 0.00 177.93 178.24 2k3m h ASP 65 N -0.57 0.30 0.00 3.26 1.82 0.38 -3.05 116.42 118.55 2k3m h ASP 65 Ca 0.05 -0.50 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2k3m h ASP 65 Cb 0.66 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.59 2k3m h ASP 65 CO -0.35 0.73 0.00 0.61 -1.61 0.00 0.00 179.24 178.63 2k3m n GLY 66 N 0.25 0.97 0.04 -0.78 0.00 1.07 -3.05 105.19 103.68 2k3m n GLY 66 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 0.66 0.76 -0.56 1.61 3.00 -0.30 -3.87 116.66 117.96 2k3m n ARG 67 Ca 0.00 -0.08 0.45 0.00 -0.00 0.00 0.00 57.85 58.22 2k3m n ARG 67 Cb 0.23 -1.50 0.76 0.00 0.00 0.00 0.00 32.46 31.96 2k3m n ARG 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2k3m h LEU 68 N 0.21 0.07 0.08 6.15 5.85 -1.83 -2.22 115.31 123.61 2k3m h LEU 68 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k3m h LEU 68 Cb 0.19 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2k3m h LEU 68 CO 0.00 -0.05 -0.04 0.25 -0.34 0.00 0.00 178.44 178.26 2k3m h LEU 69 N 0.03 -0.09 0.00 2.25 6.46 -1.91 -3.11 115.31 118.93 2k3m h LEU 69 Ca 0.84 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.60 2k3m h LEU 69 Cb 3.15 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 43.11 2k3m h LEU 69 CO -0.12 -0.04 0.00 0.00 -0.62 0.00 0.00 178.44 177.66 2k3m n ALA 70 N -2.10 0.00 0.00 1.25 0.00 -0.85 -3.84 120.51 114.96 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.59 0.97 0.00 0.00 0.00 -1.14 -4.50 120.51 114.24 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 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.10 0.00 0.27 0.00 1.44 -1.10 0.27 115.22 116.19 2k3m n HIS 72 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 2k3m n HIS 72 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 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 -0.66 -0.78 -1.40 2.86 -1.86 -3.27 114.93 109.82 2k3m h MET 73 Ca 0.00 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.84 2k3m h MET 73 Cb 0.00 0.15 -0.15 0.00 0.06 0.00 0.00 31.60 31.66 2k3m h MET 73 CO 0.00 -0.36 -0.24 -0.39 1.06 0.00 0.00 176.91 176.99 2k3m h VAL 74 N -0.93 0.18 0.00 -2.22 -1.51 0.33 0.30 116.25 112.40 2k3m h VAL 74 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2k3m h VAL 74 Cb 0.61 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 2k3m h VAL 74 CO 0.12 0.00 0.75 -3.20 -1.23 0.00 0.00 177.57 174.00 2k3m n ASN 75 N -5.50 0.00 -0.22 4.19 4.05 -1.23 0.37 115.26 116.91 2k3m n ASN 75 Ca 0.10 0.34 0.31 0.00 0.45 0.00 0.00 54.58 55.78 2k3m n ASN 75 Cb 0.40 0.00 0.71 0.00 1.23 0.00 0.00 39.78 42.11 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2k3m h GLY 76 N 0.00 0.00 0.54 8.20 0.00 -0.59 0.43 103.07 111.64 2k3m h GLY 76 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k3m h GLY 76 CO 0.00 0.00 -0.05 0.16 0.00 0.00 0.00 176.54 176.65 2k3m h ILE 77 N 0.00 1.13 -1.37 2.60 3.07 -0.33 0.13 117.51 122.74 2k3m h ILE 77 Ca 0.48 -0.98 0.43 0.00 1.55 0.00 0.00 64.86 66.34 2k3m h ILE 77 Cb 2.14 1.74 -0.09 0.00 -0.27 0.00 0.00 36.82 40.34 2k3m h ILE 77 CO -0.01 0.23 0.94 0.52 -1.05 0.00 0.00 178.15 178.79 2k3m n VAL 78 N -4.94 -0.11 -0.08 0.16 0.31 0.15 0.35 118.33 114.18 2k3m n VAL 78 Ca -0.09 1.35 -0.11 0.00 -0.01 0.00 0.00 64.34 65.49 2k3m n VAL 78 Cb 0.25 -2.23 -0.15 0.00 -0.91 0.00 0.00 33.84 30.79 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2k3m n ILE 79 N -3.96 1.48 1.11 2.52 -6.64 -1.12 -4.25 119.36 108.50 2k3m n ILE 79 Ca 0.35 -0.80 0.14 0.00 -1.77 0.00 0.00 62.75 60.67 2k3m n ILE 79 Cb 1.47 -0.80 0.57 0.00 -1.44 0.00 0.00 39.64 39.44 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k3m n ALA 80 N -2.77 2.63 -0.27 -1.28 0.00 1.07 -3.01 120.51 116.89 2k3m n ALA 80 Ca -0.30 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2k3m n ALA 80 Cb 1.11 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2k3m n ALA 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k3m n GLU 81 N -1.40 0.00 0.03 0.00 -0.58 0.91 -4.75 120.64 114.85 2k3m n GLU 81 Ca 0.09 0.16 0.11 0.00 -0.42 0.00 0.00 57.16 57.10 2k3m n GLU 81 Cb 0.32 -0.59 0.06 0.00 -0.57 0.00 0.00 31.44 30.67 2k3m n GLU 81 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2k3m n ASP 82 N -1.95 0.63 -0.22 1.62 -0.08 -1.26 -4.44 116.55 110.84 2k3m n ASP 82 Ca 0.00 -0.15 0.01 0.00 -1.51 0.00 0.00 54.79 53.14 2k3m n ASP 82 Cb 0.00 0.63 0.12 0.00 2.34 0.00 0.00 41.12 44.21 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k3m h ALA 83 N 2.56 0.89 0.00 -1.67 0.00 -1.76 -1.35 119.26 117.94 2k3m h ALA 83 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k3m h ALA 83 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k3m h ALA 83 CO 0.00 -0.12 0.64 1.47 0.00 0.00 0.00 179.25 181.24 2k3m n LEU 84 N -4.93 0.08 -0.05 0.00 -0.00 -1.26 0.28 117.00 111.11 2k3m n LEU 84 Ca 0.10 0.31 -0.09 0.00 -0.00 0.00 0.00 56.01 56.33 2k3m n LEU 84 Cb 0.28 -0.11 -0.15 0.00 -0.00 0.00 0.00 43.42 43.43 2k3m n LEU 84 CO 0.24 -0.34 -0.76 -0.38 -0.00 0.00 0.00 177.39 176.15 2k3m n ILE 85 N -1.79 1.50 0.02 1.47 2.08 -0.51 -4.24 119.36 117.90 2k3m n ILE 85 Ca -0.00 -0.82 0.03 0.00 0.56 0.00 0.00 62.75 62.52 2k3m n ILE 85 Cb 0.64 -0.80 -0.09 0.00 -0.75 0.00 0.00 39.64 38.64 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k3m n ALA 86 N -2.62 2.14 0.19 -1.39 0.00 0.79 -4.15 120.51 115.46 2k3m n ALA 86 Ca -0.23 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2k3m n ALA 86 Cb 1.08 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2k3m n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k3m n GLU 87 N -2.73 0.19 0.00 0.00 2.13 0.25 0.34 120.64 120.82 2k3m n GLU 87 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2k3m n GLU 87 Cb 0.78 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 31.21 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3m n ALA 88 N 0.70 1.78 -0.31 4.31 0.00 -1.26 -4.67 120.51 121.06 2k3m n ALA 88 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 2k3m n ALA 88 Cb 0.08 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.61 2.08 -0.00 0.00 0.31 0.15 -4.35 118.33 115.91 2k3m n VAL 89 Ca 0.00 -0.83 -0.18 0.00 -0.01 0.00 0.00 64.34 63.31 2k3m n VAL 89 Cb 0.01 -1.26 -0.08 0.00 -0.91 0.00 0.00 33.84 31.60 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 2.96 0.81 0.08 2.92 0.00 -1.83 -3.12 103.07 104.90 2k3m h GLY 90 Ca 0.13 -1.23 0.08 0.00 0.00 0.00 0.00 47.33 46.31 2k3m h GLY 90 CO 0.31 1.09 0.88 -2.55 0.00 0.00 0.00 176.54 176.28 2k3m h PRO 91 N 0.44 0.00 0.00 4.80 0.11 -2.00 1.71 132.00 137.06 2k3m h PRO 91 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2k3m h PRO 91 Cb 1.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.58 2k3m h PRO 91 CO 0.17 0.00 0.21 1.25 -0.21 0.00 0.00 178.00 179.42 2k3m h HIS 92 N 0.00 0.00 -0.24 0.65 2.76 -1.90 0.06 115.15 116.48 2k3m h HIS 92 Ca 0.13 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 2k3m h HIS 92 Cb 1.90 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.78 2k3m h HIS 92 CO 0.00 0.00 -0.27 1.37 -1.30 0.00 0.00 177.93 177.73 2k3m h LEU 93 N 0.00 -0.86 -0.71 0.26 8.10 0.23 8.35 115.31 130.69 2k3m h LEU 93 Ca 0.00 0.15 0.12 0.00 0.11 0.00 0.00 57.88 58.26 2k3m h LEU 93 Cb 0.43 0.39 -0.09 0.00 -0.44 0.00 0.00 40.66 40.96 2k3m h LEU 93 CO 0.00 -0.30 0.27 0.00 -4.11 0.00 0.00 178.44 174.30 2k3m h ALA 94 N 0.73 0.96 0.00 0.17 0.00 -1.20 0.97 119.26 120.88 2k3m h ALA 94 Ca 0.14 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2k3m h ALA 94 Cb 0.49 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k3m h ALA 94 CO -0.40 -0.20 -0.02 0.00 0.00 0.00 0.00 179.25 178.63 2k3m h ARG 95 N 0.43 0.01 -1.35 0.00 2.47 -1.09 -2.99 114.38 111.86 2k3m h ARG 95 Ca 0.38 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2k3m h ARG 95 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2k3m h ARG 95 CO -0.37 0.92 0.00 0.00 0.56 0.00 0.00 179.97 181.07 2k3m n ALA 96 N -2.56 1.87 -0.30 0.04 0.00 2.65 -4.16 120.51 118.04 2k3m n ALA 96 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.45 2k3m n ALA 96 Cb 0.45 -1.00 0.25 0.00 0.00 0.00 0.00 19.45 19.14 2k3m n ALA 96 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k3m h LEU 97 N 1.38 -0.31 -1.89 0.00 -0.00 0.11 3.88 115.31 118.48 2k3m h LEU 97 Ca 0.00 0.23 0.26 0.00 -0.00 0.00 0.00 57.88 58.37 2k3m h LEU 97 Cb 0.38 0.38 -0.04 0.00 -0.00 0.00 0.00 40.66 41.39 2k3m h LEU 97 CO 0.00 -0.24 0.73 1.23 -0.00 0.00 0.00 178.44 180.16 2k3m h GLY 98 N 0.09 0.00 1.93 0.17 0.00 -1.83 6.55 103.07 109.98 2k3m h GLY 98 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2k3m h GLY 98 CO -0.77 0.00 0.03 0.06 0.00 0.00 0.00 176.54 175.87 2k3m h GLN 99 N 0.00 0.00 0.10 4.80 -0.00 0.72 -0.38 115.11 120.35 2k3m h GLN 99 Ca 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.06 2k3m h GLN 99 Cb 1.88 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.36 2k3m h GLN 99 CO -0.00 0.00 -0.05 0.82 -0.00 0.00 0.00 178.83 179.60 2k3m h ILE 100 N 0.00 1.10 0.27 1.86 1.08 1.36 -2.37 117.51 120.82 2k3m h ILE 100 Ca 0.01 -0.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2k3m h ILE 100 Cb 0.07 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 2k3m h ILE 100 CO -0.00 0.20 -0.47 1.62 -0.69 0.00 0.00 178.15 178.81 2k3m h VAL 101 N -0.52 0.00 -0.07 1.67 3.04 -1.07 2.08 116.25 121.39 2k3m h VAL 101 Ca -0.01 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.70 2k3m h VAL 101 Cb 0.42 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 29.70 2k3m h VAL 101 CO 0.02 0.00 0.21 0.00 -1.01 0.00 0.00 177.57 176.79 2k3m h ARG 103 N 0.00 0.00 -0.70 0.00 1.12 -0.16 -3.04 114.38 111.60 2k3m h ARG 103 Ca 0.03 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.85 2k3m h ARG 103 Cb 0.46 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.39 2k3m h ARG 103 CO -0.00 0.61 0.06 0.98 -3.11 0.00 0.00 179.97 178.51 2k3m n TYR 104 N -4.60 1.82 0.00 2.20 9.36 0.68 -4.75 117.16 121.86 2k3m n TYR 104 Ca -0.14 -0.72 0.00 0.00 3.32 0.00 0.00 57.90 60.37 2k3m n TYR 104 Cb 0.40 -0.49 0.00 0.00 -0.63 0.00 0.00 39.34 38.62 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 0.35 0.15 1.90 2.98 0.00 1.71 -4.86 105.19 107.42 2k3m n GLY 105 Ca 0.26 0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.00 -2.43 0.08 4.61 0.00 -0.27 -4.86 120.51 114.63 2k3m n ALA 106 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2k3m n ALA 106 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2k3m n ALA 106 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k3m n THR 107 N 1.19 0.21 0.36 0.00 5.66 -1.26 -4.70 114.28 115.73 2k3m n THR 107 Ca -0.02 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2k3m n THR 107 Cb 0.03 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 2k3m n THR 107 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2k3m n VAL 108 N -3.13 0.13 0.00 1.08 0.24 -1.26 -2.47 118.33 112.92 2k3m n VAL 108 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 2k3m n VAL 108 Cb 0.00 -0.36 -0.01 0.00 -1.47 0.00 0.00 33.84 32.00 2k3m n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k3m n ILE 109 N 0.50 1.02 -0.34 1.34 3.06 -1.26 -4.42 119.36 119.25 2k3m n ILE 109 Ca 0.00 0.22 0.09 0.00 -2.50 0.00 0.00 62.75 60.56 2k3m n ILE 109 Cb 0.12 -1.71 0.28 0.00 0.54 0.00 0.00 39.64 38.87 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 2k3m h PRO 110 N -0.23 0.87 0.15 9.51 0.13 -1.76 0.16 132.00 140.83 2k3m h PRO 110 Ca -0.05 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2k3m h PRO 110 Cb 0.49 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2k3m h PRO 110 CO -0.03 0.58 -0.07 -0.97 -0.23 0.00 0.00 178.00 177.28 2k3m h ASN 111 N 0.90 -0.17 -0.10 1.44 -1.24 -1.83 -2.62 115.58 111.96 2k3m h ASN 111 Ca 0.51 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.55 2k3m h ASN 111 Cb 0.62 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.71 2k3m h ASN 111 CO -0.28 -0.08 0.38 0.16 -1.29 0.00 0.00 177.43 176.33 2k3m h ILE 112 N -0.29 0.09 0.28 2.57 -0.00 -1.76 0.17 117.51 118.57 2k3m h ILE 112 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.83 2k3m h ILE 112 Cb 0.15 0.64 0.00 0.00 -0.00 0.00 0.00 36.82 37.62 2k3m h ILE 112 CO 0.03 0.00 -0.13 -1.13 -0.00 0.00 0.00 178.15 176.92 2k3m h ASN 113 N 0.00 -0.32 -0.16 2.16 -0.00 -0.49 1.77 115.58 118.54 2k3m h ASN 113 Ca 0.05 -0.01 0.05 0.00 -0.00 0.00 0.00 56.30 56.39 2k3m h ASN 113 Cb 0.81 0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 39.20 2k3m h ASN 113 CO -0.00 -0.20 0.13 0.00 -0.00 0.00 0.00 177.43 177.35 2k3m h ALA 114 N 0.31 2.05 0.00 1.57 0.00 -0.28 0.30 119.26 123.20 2k3m h ALA 114 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 114 Cb 0.31 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k3m h ALA 114 CO 0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 179.25 178.98 2k3m h ALA 115 N 1.90 0.02 -0.90 0.00 0.00 -1.28 -3.05 119.26 115.96 2k3m h ALA 115 Ca 0.08 -0.47 0.18 0.00 0.00 0.00 0.00 54.91 54.70 2k3m h ALA 115 Cb 0.33 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.03 2k3m h ALA 115 CO -0.00 0.07 -0.20 0.97 0.00 0.00 0.00 179.25 180.09 2k3m h ILE 116 N -1.00 0.11 -0.55 0.00 6.09 0.32 3.08 117.51 125.56 2k3m h ILE 116 Ca -0.03 -0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.54 2k3m h ILE 116 Cb 0.83 0.10 -0.10 0.00 0.47 0.00 0.00 36.82 38.12 2k3m h ILE 116 CO -0.02 0.00 -0.47 -0.33 -3.07 0.00 0.00 178.15 174.26 2k3m h GLU 117 N 0.00 -0.25 0.43 2.19 5.08 -0.51 1.30 114.58 122.82 2k3m h GLU 117 Ca 0.44 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2k3m h GLU 117 Cb 0.69 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2k3m h GLU 117 CO -0.91 -0.17 -0.21 0.28 -1.00 0.00 0.00 179.01 177.00 2k3m h VAL 118 N -0.26 0.38 0.00 3.13 2.07 0.44 0.70 116.25 122.72 2k3m h VAL 118 Ca 0.15 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2k3m h VAL 118 Cb 0.57 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2k3m h VAL 118 CO -0.67 0.07 0.36 0.25 0.02 0.00 0.00 177.57 177.60 2k3m h LEU 119 N -0.99 0.00 0.00 2.57 5.85 0.50 -3.35 115.31 119.89 2k3m h LEU 119 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2k3m h LEU 119 Cb 0.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2k3m h LEU 119 CO 0.10 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.81 2k3m n GLY 120 N -1.23 0.05 0.00 3.75 0.00 0.44 -5.01 105.19 103.18 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 -1.93 0.00 0.00 2.61 -1.04 0.24 -4.92 114.28 109.24 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 1.84 3.50 3.41 0.00 -1.26 -4.69 105.19 107.99 2k3m n GLY 122 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k3m n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 123 N -1.52 0.00 -3.86 2.61 5.66 -1.26 -4.58 114.28 111.32 2k3m n THR 123 Ca 0.00 -0.12 -0.04 0.00 -3.05 0.00 0.00 64.05 60.84 2k3m n THR 123 Cb 0.00 -1.70 0.02 0.00 -1.55 0.00 0.00 70.33 67.10 2k3m n THR 123 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2k3m s ASP 124 N 7.50 -0.01 -0.02 1.09 1.01 -1.26 -4.98 116.67 120.01 2k3m s ASP 124 Ca 0.73 -0.73 -0.03 0.00 0.71 0.00 0.00 52.55 53.23 2k3m s ASP 124 Cb -0.06 0.55 0.00 0.00 1.01 0.00 0.00 42.92 44.42 2k3m s ASP 124 CO 0.16 -1.10 0.06 -0.72 0.21 0.00 0.00 175.17 173.79 2k3m s TYR 125 N -2.25 -0.01 -0.04 4.23 -0.85 -1.26 -5.17 117.35 112.00 2k3m s TYR 125 Ca 0.20 0.03 -0.11 0.00 -0.52 0.00 0.00 57.07 56.67 2k3m s TYR 125 Cb -0.03 -0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.31 2k3m s TYR 125 CO 0.06 -0.10 0.25 0.50 -1.52 0.00 0.00 175.55 174.74 2k3m s ARG 126 N -0.41 0.48 0.00 -3.49 6.06 -1.26 -5.08 118.95 115.25 2k3m s ARG 126 Ca -0.05 -0.02 0.00 0.00 -2.50 0.00 0.00 55.73 53.16 2k3m s ARG 126 Cb -0.03 0.21 0.00 0.00 0.06 0.00 0.00 34.95 35.19 2k3m s ARG 126 CO 0.00 -0.11 0.24 0.34 -2.50 0.00 0.00 175.30 173.28