#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 1.27 0.00 3.17 3.41 -1.26 -4.85 113.62 115.36 2k3m n SER 2 Ca 0.00 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 2k3m n SER 2 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.17 0.00 -3.62 4.04 2.03 -1.26 -5.19 116.55 112.71 2k3m n ASP 3 Ca 0.09 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.25 2k3m n ASP 3 Cb 0.21 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.43 -0.04 -0.67 5.36 -1.26 -5.17 117.98 115.76 2k3m s PHE 4 Ca 0.00 0.67 -0.16 0.00 -0.96 0.00 0.00 56.93 56.48 2k3m s PHE 4 Cb 0.00 0.27 0.03 0.00 -0.34 0.00 0.00 43.02 42.98 2k3m s PHE 4 CO 0.00 -0.53 0.36 -0.51 -1.46 0.00 0.00 175.22 173.08 2k3m s ASP 5 N -1.40 -0.28 0.95 6.13 1.01 -1.26 -5.07 116.67 116.76 2k3m s ASP 5 Ca -0.11 0.28 -0.12 0.00 0.71 0.00 0.00 52.55 53.31 2k3m s ASP 5 Cb -0.02 0.42 0.16 0.00 1.01 0.00 0.00 42.92 44.50 2k3m s ASP 5 CO 0.06 -0.41 1.09 -0.89 0.21 0.00 0.00 175.17 175.24 2k3m s THR 6 N -1.03 2.30 0.08 -1.27 2.01 -1.26 -4.46 115.64 112.01 2k3m s THR 6 Ca -0.11 0.10 -0.34 0.00 0.31 0.00 0.00 61.69 61.65 2k3m s THR 6 Cb -0.04 -2.60 -0.17 0.00 0.01 0.00 0.00 72.50 69.70 2k3m s THR 6 CO 0.04 -0.13 1.60 1.05 -0.69 0.00 0.00 174.62 176.50 2k3m h GLU 7 N -1.74 -0.90 0.02 4.92 4.11 -2.01 5.79 114.58 124.76 2k3m h GLU 7 Ca -0.52 0.06 0.03 0.00 0.07 0.00 0.00 59.36 59.00 2k3m h GLU 7 Cb 1.31 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.72 2k3m h GLU 7 CO 0.57 -0.60 -0.36 -0.09 0.07 0.00 0.00 179.01 178.60 2k3m h ARG 8 N -0.94 -0.51 0.03 1.06 2.43 -1.95 3.22 114.38 117.73 2k3m h ARG 8 Ca -0.07 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k3m h ARG 8 Cb 0.78 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2k3m h ARG 8 CO 0.04 -0.34 -0.02 -0.39 -1.51 0.00 0.00 179.97 177.76 2k3m h VAL 9 N -0.53 1.13 0.45 0.20 -1.51 -1.89 0.10 116.25 114.21 2k3m h VAL 9 Ca 0.05 -0.51 -0.02 0.00 -1.23 0.00 0.00 66.70 64.99 2k3m h VAL 9 Cb 0.60 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2k3m h VAL 9 CO -0.27 0.13 -0.22 -1.28 -1.23 0.00 0.00 177.57 174.70 2k3m h SER 10 N -0.27 -0.51 0.74 4.19 0.87 1.24 -2.10 113.55 117.71 2k3m h SER 10 Ca -0.00 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2k3m h SER 10 Cb 0.25 0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2k3m h SER 10 CO 0.01 -0.29 -0.36 -0.09 -0.53 0.00 0.00 176.83 175.58 2k3m h ARG 11 N -0.77 -0.96 -0.52 2.24 9.65 0.58 1.20 114.38 125.79 2k3m h ARG 11 Ca -0.06 0.07 0.11 0.00 -1.10 0.00 0.00 59.98 58.99 2k3m h ARG 11 Cb 0.47 0.22 -0.09 0.00 -1.39 0.00 0.00 29.97 29.17 2k3m h ARG 11 CO 0.10 -0.62 -0.08 0.00 2.80 0.00 0.00 179.97 182.17 2k3m h ALA 12 N -1.09 0.41 -0.05 2.80 0.00 -0.62 2.53 119.26 123.24 2k3m h ALA 12 Ca -0.10 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k3m h ALA 12 Cb 0.78 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k3m h ALA 12 CO 0.17 -0.42 0.03 0.28 0.00 0.00 0.00 179.25 179.31 2k3m h VAL 13 N 0.04 1.05 0.61 0.00 2.07 -1.28 0.95 116.25 119.69 2k3m h VAL 13 Ca 0.26 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 2k3m h VAL 13 Cb 0.40 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2k3m h VAL 13 CO -0.50 0.04 -0.40 0.00 0.02 0.00 0.00 177.57 176.73 2k3m h ALA 14 N 0.97 -1.19 -0.23 1.67 0.00 0.53 3.38 119.26 124.40 2k3m h ALA 14 Ca 0.02 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 14 Cb 0.04 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2k3m h ALA 14 CO -0.00 -1.16 -0.26 0.00 0.00 0.00 0.00 179.25 177.83 2k3m h ALA 15 N -1.29 -0.18 0.44 0.00 0.00 0.42 2.10 119.26 120.75 2k3m h ALA 15 Ca -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k3m h ALA 15 Cb 0.77 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2k3m h ALA 15 CO 0.07 -0.69 -0.21 0.00 0.00 0.00 0.00 179.25 178.41 2k3m h ALA 16 N 0.72 -0.59 0.13 0.00 0.00 0.11 2.78 119.26 122.42 2k3m h ALA 16 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k3m h ALA 16 Cb 0.48 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2k3m h ALA 16 CO -0.39 -0.76 -0.24 1.25 0.00 0.00 0.00 179.25 179.11 2k3m h LEU 17 N -0.74 -0.68 0.40 0.00 6.46 0.69 1.13 115.31 122.57 2k3m h LEU 17 Ca -0.06 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2k3m h LEU 17 Cb 0.53 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 2k3m h LEU 17 CO 0.10 -0.33 -0.19 -0.37 -0.62 0.00 0.00 178.44 177.02 2k3m h VAL 18 N -0.45 0.36 -0.85 1.05 -1.51 0.34 -3.35 116.25 111.83 2k3m h VAL 18 Ca 0.02 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2k3m h VAL 18 Cb 0.47 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 2k3m h VAL 18 CO -0.13 0.07 0.00 0.61 -1.23 0.00 0.00 177.57 176.90 2k3m n GLY 19 N -0.01 -3.35 0.07 5.19 0.00 0.93 -4.89 105.19 103.13 2k3m n GLY 19 Ca -0.09 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 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 0.06 0.75 1.61 0.14 -1.76 -3.37 132.00 129.43 2k3m h PRO 20 Ca 0.00 -0.10 -0.04 0.00 0.14 0.00 0.00 66.00 66.00 2k3m h PRO 20 Cb 0.00 0.04 0.01 0.00 0.14 0.00 0.00 31.00 31.18 2k3m h PRO 20 CO 0.00 1.03 -0.37 0.78 0.14 0.00 0.00 178.00 179.58 2k3m h GLY 21 N 2.64 -1.06 0.61 1.56 0.00 -1.84 1.94 103.07 106.92 2k3m h GLY 21 Ca -0.04 0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.70 2k3m h GLY 21 CO 0.14 -0.38 -0.24 -1.33 0.00 0.00 0.00 176.54 174.73 2k3m h GLY 22 N -1.01 -0.46 1.78 4.60 0.00 0.11 0.98 103.07 109.07 2k3m h GLY 22 Ca -0.10 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2k3m h GLY 22 CO 0.16 -0.21 0.10 -0.39 0.00 0.00 0.00 176.54 176.20 2k3m h VAL 23 N -0.46 1.08 0.49 4.60 -1.51 -1.46 -0.61 116.25 118.38 2k3m h VAL 23 Ca 0.02 -0.24 -0.02 0.00 -1.23 0.00 0.00 66.70 65.24 2k3m h VAL 23 Cb 0.47 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 2k3m h VAL 23 CO -0.12 0.09 -0.40 0.00 -1.23 0.00 0.00 177.57 175.91 2k3m h ALA 24 N 1.82 -1.12 -0.32 5.19 0.00 0.56 0.48 119.26 125.87 2k3m h ALA 24 Ca 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 24 Cb 0.04 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k3m h ALA 24 CO -0.01 -1.12 0.03 -0.07 0.00 0.00 0.00 179.25 178.08 2k3m h LEU 25 N -0.86 0.52 0.92 0.00 4.07 -1.10 -1.06 115.31 117.80 2k3m h LEU 25 Ca -0.06 -0.28 -0.05 0.00 0.08 0.00 0.00 57.88 57.57 2k3m h LEU 25 Cb 0.73 -0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.34 2k3m h LEU 25 CO -0.00 0.67 -0.44 0.58 -1.08 0.00 0.00 178.44 178.16 2k3m h VAL 26 N 0.35 0.09 -0.53 1.22 2.07 -1.09 0.11 116.25 118.47 2k3m h VAL 26 Ca 0.09 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2k3m h VAL 26 Cb 0.38 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2k3m h VAL 26 CO 0.01 0.00 0.35 1.62 0.02 0.00 0.00 177.57 179.57 2k3m h VAL 27 N -1.25 1.12 0.27 2.57 3.04 -0.97 0.21 116.25 121.24 2k3m h VAL 27 Ca -0.13 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 2k3m h VAL 27 Cb 0.95 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2k3m h VAL 27 CO 0.21 0.13 -0.13 0.50 -1.01 0.00 0.00 177.57 177.27 2k3m h LYS 28 N 0.70 -0.35 -0.10 4.17 3.64 -1.02 -0.22 116.57 123.38 2k3m h LYS 28 Ca 0.20 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2k3m h LYS 28 Cb -0.04 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2k3m h LYS 28 CO -0.05 -0.03 0.03 0.28 -2.27 0.00 0.00 179.45 177.41 2k3m h VAL 29 N -0.69 1.19 0.71 2.00 2.07 -0.51 1.00 116.25 122.02 2k3m h VAL 29 Ca -0.04 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2k3m h VAL 29 Cb 0.48 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2k3m h VAL 29 CO 0.06 0.17 -0.34 0.00 0.02 0.00 0.00 177.57 177.48 2k3m h ALA 31 N -1.00 -0.44 -1.97 0.00 0.00 -1.07 -3.49 119.26 111.29 2k3m h ALA 31 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k3m h ALA 31 Cb 0.76 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k3m h ALA 31 CO 0.16 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 179.11 2k3m n GLY 32 N -1.04 -0.05 0.98 0.00 0.00 0.34 -4.97 105.19 100.46 2k3m n GLY 32 Ca -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.51 -1.39 0.20 0.99 0.00 -1.23 -4.93 117.00 110.12 2k3m n LEU 33 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 56.01 56.07 2k3m n LEU 33 Cb 0.18 -0.70 0.37 0.00 0.00 0.00 0.00 43.42 43.28 2k3m n LEU 33 CO 0.00 0.00 0.71 1.55 0.00 0.00 0.00 177.39 179.65 2k3m h PRO 34 N 0.00 0.00 0.95 1.96 0.13 -1.89 -3.30 132.00 129.84 2k3m h PRO 34 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 2k3m h PRO 34 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2k3m h PRO 34 CO 0.00 0.35 -0.46 0.78 -0.23 0.00 0.00 178.00 178.43 2k3m h GLY 35 N 1.95 -1.35 -2.18 1.56 0.00 -1.93 -3.42 103.07 97.70 2k3m h GLY 35 Ca -0.00 0.50 -0.48 0.00 0.00 0.00 0.00 47.33 47.35 2k3m h GLY 35 CO 0.04 -0.49 -0.01 0.54 0.00 0.00 0.00 176.54 176.63 2k3m s VAL 36 N -6.00 4.52 0.00 4.60 0.11 -1.24 -5.00 120.40 117.40 2k3m s VAL 36 Ca -0.20 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 2k3m s VAL 36 Cb 0.02 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2k3m s VAL 36 CO 0.60 -0.58 0.00 0.00 -3.33 0.00 0.00 175.10 171.79 2k3m n ILE 37 N -2.14 0.00 -3.82 7.04 3.06 -1.26 -4.77 119.36 117.46 2k3m n ILE 37 Ca 0.00 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.12 2k3m n ILE 37 Cb 0.56 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.60 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 -0.01 -0.06 9.51 3.76 -1.26 -5.09 115.29 122.13 2k3m s HIS 38 Ca 0.00 0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.05 2k3m s HIS 38 Cb 0.00 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.57 2k3m s HIS 38 CO 0.00 -0.05 -0.11 0.95 -0.85 0.00 0.00 174.74 174.68 2k3m s THR 39 N 0.50 3.34 0.00 1.30 -4.23 -1.26 -5.09 115.64 110.21 2k3m s THR 39 Ca -0.04 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2k3m s THR 39 Cb -0.06 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2k3m s THR 39 CO -0.02 0.59 0.07 -0.81 -0.54 0.00 0.00 174.62 173.91 2k3m n PRO 40 N 2.29 0.00 -2.02 3.99 -0.04 -1.26 -4.79 135.00 133.18 2k3m n PRO 40 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 2k3m n PRO 40 Cb 0.52 -0.37 -0.03 0.00 -0.04 0.00 0.00 33.50 33.59 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 -3.09 3.65 0.05 0.55 0.00 -1.26 -4.92 121.76 116.74 2k3m s ALA 41 Ca 0.00 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.78 2k3m s ALA 41 Cb 0.00 -3.66 0.09 0.00 0.00 0.00 0.00 23.12 19.55 2k3m s ALA 41 CO 0.00 -1.05 1.10 -0.98 0.00 0.00 0.00 175.76 174.83 2k3m s ARG 42 N 2.57 0.79 0.00 0.00 1.70 -1.26 -4.98 118.95 117.78 2k3m s ARG 42 Ca 0.71 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.55 2k3m s ARG 42 Cb -0.37 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.29 2k3m s ARG 42 CO 0.30 -0.36 0.12 -2.13 -1.08 0.00 0.00 175.30 172.15 2k3m n ARG 43 N -0.43 0.17 0.00 3.89 0.00 -1.26 -4.57 116.66 114.46 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 0.61 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.83 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 0.66 2.87 3.82 5.14 0.00 -1.26 -4.79 105.19 111.63 2k3m n GLY 44 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.32 -0.01 0.00 1.61 0.08 -1.26 -5.06 117.98 112.03 2k3m s PHE 45 Ca 0.00 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.68 2k3m s PHE 45 Cb 0.00 0.68 0.00 0.00 -0.57 0.00 0.00 43.02 43.13 2k3m s PHE 45 CO 0.00 -0.91 0.00 1.19 -0.10 0.00 0.00 175.22 175.40 2k3m n PHE 46 N -0.60 0.00 0.00 0.36 3.72 -1.26 -5.04 117.46 114.65 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 0.54 -0.05 0.00 0.00 176.76 177.25 2k3m n ARG 47 N 0.00 0.00 -2.32 -1.08 5.12 -1.26 -5.09 116.66 112.04 2k3m n ARG 47 Ca 0.00 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k3m s ASN 49 N -2.49 2.60 -0.63 0.00 2.20 -1.26 -5.03 114.94 110.34 2k3m s ASN 49 Ca 0.01 -0.78 -0.05 0.00 -0.94 0.00 0.00 52.86 51.09 2k3m s ASN 49 Cb -0.00 -0.15 -0.11 0.00 -2.00 0.00 0.00 41.25 38.99 2k3m s ASN 49 CO 0.40 0.01 2.41 -0.81 -2.94 0.00 0.00 177.10 176.16 2k3m n PRO 50 N 0.67 1.97 -0.53 3.55 -0.04 -1.26 -4.38 135.00 134.98 2k3m n PRO 50 Ca -0.16 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 2k3m n PRO 50 Cb 0.55 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 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 3.48 0.00 -1.77 0.54 -0.58 -1.26 -4.96 120.64 116.09 2k3m n GLU 51 Ca 0.42 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.85 2k3m n GLU 51 Cb 0.34 -3.51 0.02 0.00 -0.57 0.00 0.00 31.44 27.73 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2k3m s ARG 52 N -0.44 3.34 0.22 3.49 0.52 -1.26 -5.02 118.95 119.80 2k3m s ARG 52 Ca 0.00 0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 55.76 2k3m s ARG 52 Cb 0.00 -2.04 -0.08 0.00 0.52 0.00 0.00 34.95 33.34 2k3m s ARG 52 CO 0.00 -0.78 1.00 -1.50 0.02 0.00 0.00 175.30 174.04 2k3m s ILE 53 N -3.09 3.97 -1.08 1.52 2.07 -1.26 -4.85 121.20 118.47 2k3m s ILE 53 Ca 0.57 1.89 -0.26 0.00 -1.41 0.00 0.00 60.65 61.44 2k3m s ILE 53 Cb -0.12 -4.20 -0.18 0.00 0.13 0.00 0.00 42.46 38.08 2k3m s ILE 53 CO 0.53 0.41 2.09 -1.10 -1.91 0.00 0.00 174.94 174.97 2k3m s GLN 54 N -0.97 1.57 0.05 3.50 -1.52 -1.26 -4.80 119.66 116.23 2k3m s GLN 54 Ca 0.44 -0.54 -0.10 0.00 -1.95 0.00 0.00 55.36 53.21 2k3m s GLN 54 Cb -0.27 -5.03 0.00 0.00 -0.22 0.00 0.00 33.01 27.49 2k3m s GLN 54 CO 0.34 -4.99 0.20 -1.50 -0.25 0.00 0.00 175.29 169.09 2k3m s ILE 55 N 15.18 0.11 0.00 1.08 2.07 -1.26 -4.91 121.20 133.47 2k3m s ILE 55 Ca 0.79 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 2k3m s ILE 55 Cb -0.05 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.53 2k3m s ILE 55 CO 0.16 -0.52 0.00 0.61 -1.91 0.00 0.00 174.94 173.28 2k3m n GLY 56 N 0.50 0.75 3.55 1.50 0.00 -1.26 -5.05 105.19 105.18 2k3m n GLY 56 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.61 6.12 0.63 1.61 -4.77 -1.26 -4.98 116.67 112.41 2k3m s ASP 57 Ca 0.00 -0.45 -0.02 0.00 -3.30 0.00 0.00 52.55 48.78 2k3m s ASP 57 Cb 0.00 -2.56 0.05 0.00 -1.09 0.00 0.00 42.92 39.32 2k3m s ASP 57 CO 0.00 -1.86 0.89 0.26 0.70 0.00 0.00 175.17 175.16 2k3m s TRP 58 N 5.90 2.78 -0.12 2.11 0.52 -1.26 -5.02 118.94 123.85 2k3m s TRP 58 Ca 0.37 0.15 -0.07 0.00 0.02 0.00 0.00 56.10 56.57 2k3m s TRP 58 Cb -0.08 -2.96 -0.06 0.00 -1.15 0.00 0.00 33.47 29.23 2k3m s TRP 58 CO 0.14 -1.16 0.10 0.07 0.02 0.00 0.00 176.95 176.13 2k3m h ARG 59 N -0.25 0.00 0.00 4.98 0.11 -1.95 -3.37 114.38 113.90 2k3m h ARG 59 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2k3m h ARG 59 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2k3m h ARG 59 CO 0.54 0.21 -0.99 0.98 0.10 0.00 0.00 179.97 180.81 2k3m n TYR 60 N -4.71 0.41 0.62 4.08 9.36 -1.26 -4.05 117.16 121.61 2k3m n TYR 60 Ca -0.04 0.12 0.13 0.00 3.32 0.00 0.00 57.90 61.42 2k3m n TYR 60 Cb 0.16 -0.56 0.45 0.00 -0.63 0.00 0.00 39.34 38.76 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 -2.11 0.21 -0.12 2.98 2.13 -1.26 -3.99 120.64 118.48 2k3m n GLU 61 Ca 0.02 0.24 -0.08 0.00 0.66 0.00 0.00 57.16 57.99 2k3m n GLU 61 Cb 0.46 -1.77 -0.02 0.00 0.27 0.00 0.00 31.44 30.38 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 0.22 0.04 6.31 -1.51 -1.73 1.95 116.25 121.53 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 0.61 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 2k3m h VAL 62 CO 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 176.32 2k3m h ALA 63 N 0.72 -0.05 -0.20 5.19 0.00 -1.86 4.13 119.26 127.18 2k3m h ALA 63 Ca 0.17 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k3m h ALA 63 Cb 0.54 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2k3m h ALA 63 CO -0.54 -0.33 -0.49 1.25 0.00 0.00 0.00 179.25 179.14 2k3m h HIS 64 N -0.45 -1.45 -0.00 0.00 6.17 -1.46 0.78 115.15 118.74 2k3m h HIS 64 Ca -0.01 0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.13 2k3m h HIS 64 Cb 0.42 0.66 0.00 0.00 2.52 0.00 0.00 27.41 31.00 2k3m h HIS 64 CO 0.06 -0.51 -0.00 0.22 0.71 0.00 0.00 177.93 178.41 2k3m h ASP 65 N -0.50 0.00 0.00 3.26 1.82 0.30 -2.96 116.42 118.34 2k3m h ASP 65 Ca 0.07 -0.58 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2k3m h ASP 65 Cb 0.65 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2k3m h ASP 65 CO -0.46 0.58 0.00 0.61 -1.61 0.00 0.00 179.24 178.36 2k3m n GLY 66 N 0.48 1.05 0.00 -0.78 0.00 1.36 -3.03 105.19 104.27 2k3m n GLY 66 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.03 2k3m n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3m n ARG 67 N 0.50 0.79 -0.33 1.61 5.12 0.27 -3.95 116.66 120.66 2k3m n ARG 67 Ca 0.00 0.00 0.30 0.00 -1.93 0.00 0.00 57.85 56.22 2k3m n ARG 67 Cb 0.23 -1.38 0.46 0.00 -1.16 0.00 0.00 32.46 30.62 2k3m n ARG 67 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k3m n LEU 68 N -0.88 0.00 0.25 0.55 4.32 -1.17 0.28 117.00 120.36 2k3m n LEU 68 Ca 0.14 0.66 -0.10 0.00 -0.02 0.00 0.00 56.01 56.69 2k3m n LEU 68 Cb 0.07 -0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 41.54 2k3m n LEU 68 CO 0.11 -0.66 0.45 0.25 -1.22 0.00 0.00 177.39 176.32 2k3m h LEU 69 N 0.00 -0.55 0.00 2.23 7.12 -1.91 -1.80 115.31 120.39 2k3m h LEU 69 Ca 0.53 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.56 2k3m h LEU 69 Cb 2.54 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 42.81 2k3m h LEU 69 CO -0.01 -0.36 0.00 0.00 -0.13 0.00 0.00 178.44 177.95 2k3m n ALA 70 N -2.38 -0.01 0.00 1.25 0.00 0.78 -3.74 120.51 116.41 2k3m n ALA 70 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k3m n ALA 70 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.32 0.39 -0.19 0.00 0.00 0.72 -4.13 120.51 115.97 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 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2k3m n ALA 71 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k3m n HIS 72 N -0.42 0.00 0.21 0.00 -0.00 -0.68 0.23 115.22 114.57 2k3m n HIS 72 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2k3m n HIS 72 Cb 0.00 -0.15 -0.07 0.00 -0.00 0.00 0.00 29.99 29.76 2k3m n HIS 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k3m h MET 73 N 0.00 -0.55 -1.01 1.57 -0.00 -1.84 -2.42 114.93 110.68 2k3m h MET 73 Ca 0.00 0.04 0.37 0.00 -0.00 0.00 0.00 59.70 60.11 2k3m h MET 73 Cb 0.00 0.12 -0.16 0.00 -0.00 0.00 0.00 31.60 31.56 2k3m h MET 73 CO 0.00 -0.36 0.57 0.28 -0.00 0.00 0.00 176.91 177.39 2k3m h VAL 74 N -0.57 0.15 0.00 -0.10 2.07 -0.31 0.05 116.25 117.54 2k3m h VAL 74 Ca -0.03 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2k3m h VAL 74 Cb 0.48 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2k3m h VAL 74 CO 0.01 0.03 0.57 -0.46 0.02 0.00 0.00 177.57 177.75 2k3m n ASN 75 N -5.14 0.00 0.33 0.57 6.94 0.64 0.23 115.26 118.83 2k3m n ASN 75 Ca 0.35 0.20 0.11 0.00 -0.02 0.00 0.00 54.58 55.22 2k3m n ASN 75 Cb 1.15 0.00 0.59 0.00 -2.36 0.00 0.00 39.78 39.16 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2k3m h GLY 76 N 0.00 0.00 0.65 4.83 0.00 -1.18 0.52 103.07 107.88 2k3m h GLY 76 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2k3m h GLY 76 CO 0.00 0.00 -0.07 0.16 0.00 0.00 0.00 176.54 176.63 2k3m h ILE 77 N 0.00 0.78 -0.04 2.60 3.07 0.25 0.71 117.51 124.88 2k3m h ILE 77 Ca 0.00 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.42 2k3m h ILE 77 Cb 1.04 0.78 -0.00 0.00 -0.27 0.00 0.00 36.82 38.36 2k3m h ILE 77 CO 0.00 0.00 0.27 0.58 -1.05 0.00 0.00 178.15 177.95 2k3m h VAL 78 N -0.07 0.05 0.11 0.16 2.07 -1.15 0.88 116.25 118.30 2k3m h VAL 78 Ca 0.07 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.23 2k3m h VAL 78 Cb 0.18 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2k3m h VAL 78 CO -0.17 0.00 -2.05 2.30 0.02 0.00 0.00 177.57 177.67 2k3m n ILE 79 N -3.03 1.74 0.23 4.57 -5.35 -0.35 -3.27 119.36 113.90 2k3m n ILE 79 Ca -0.01 -0.63 0.12 0.00 -0.27 0.00 0.00 62.75 61.96 2k3m n ILE 79 Cb 0.34 -1.70 0.20 0.00 -1.74 0.00 0.00 39.64 36.74 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m h ALA 80 N 0.04 1.00 -0.46 -1.28 0.00 0.45 -3.25 119.26 115.78 2k3m h ALA 80 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k3m h ALA 80 Cb 2.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2k3m h ALA 80 CO 0.06 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.46 2k3m n GLU 81 N -3.08 0.00 0.06 0.00 -0.00 0.29 -4.76 120.64 113.16 2k3m n GLU 81 Ca 0.04 0.12 0.12 0.00 -0.00 0.00 0.00 57.16 57.44 2k3m n GLU 81 Cb 0.52 -0.57 0.15 0.00 -0.00 0.00 0.00 31.44 31.54 2k3m n GLU 81 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2k3m h ASP 82 N 0.00 0.00 -0.70 -1.84 3.58 -1.76 -3.39 116.42 112.32 2k3m h ASP 82 Ca 0.00 -0.22 0.15 0.00 0.42 0.00 0.00 57.03 57.38 2k3m h ASP 82 Cb 0.00 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 40.95 2k3m h ASP 82 CO 0.00 0.11 0.15 0.00 -2.88 0.00 0.00 179.24 176.62 2k3m h ALA 83 N 2.50 0.87 -0.99 -0.78 0.00 -1.58 -1.78 119.26 117.49 2k3m h ALA 83 Ca 0.00 0.16 0.30 0.00 0.00 0.00 0.00 54.91 55.37 2k3m h ALA 83 Cb 0.75 0.23 -0.18 0.00 0.00 0.00 0.00 17.79 18.59 2k3m h ALA 83 CO 0.00 -0.34 0.11 -0.11 0.00 0.00 0.00 179.25 178.91 2k3m n LEU 84 N -5.16 -0.04 0.01 0.00 -0.00 -1.26 0.35 117.00 110.89 2k3m n LEU 84 Ca 0.13 1.67 -0.03 0.00 -0.00 0.00 0.00 56.01 57.78 2k3m n LEU 84 Cb 0.42 -0.64 0.22 0.00 -0.00 0.00 0.00 43.42 43.42 2k3m n LEU 84 CO 0.13 -1.73 0.79 -0.29 -0.00 0.00 0.00 177.39 176.30 2k3m h ILE 85 N 0.00 1.25 0.00 1.96 2.10 -1.63 -3.09 117.51 118.10 2k3m h ILE 85 Ca 0.64 -1.13 -0.12 0.00 1.08 0.00 0.00 64.86 65.32 2k3m h ILE 85 Cb 1.40 1.23 -0.02 0.00 -1.09 0.00 0.00 36.82 38.34 2k3m h ILE 85 CO -0.90 0.37 -1.59 0.00 -1.08 0.00 0.00 178.15 174.94 2k3m n ALA 86 N -2.48 2.19 0.30 0.18 0.00 0.41 -4.08 120.51 117.03 2k3m n ALA 86 Ca 0.00 -0.58 0.15 0.00 0.00 0.00 0.00 53.44 53.01 2k3m n ALA 86 Cb 0.36 -0.84 0.79 0.00 0.00 0.00 0.00 19.45 19.76 2k3m n ALA 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k3m h GLU 87 N 0.00 0.00 0.00 0.00 4.57 0.61 2.54 114.58 122.29 2k3m h GLU 87 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2k3m h GLU 87 Cb 1.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 2k3m h GLU 87 CO 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.85 2k3m n ALA 88 N -1.85 2.19 -0.35 2.92 0.00 -1.25 -2.61 120.51 119.56 2k3m n ALA 88 Ca -0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 2k3m n ALA 88 Cb 0.30 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.41 2k3m n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2k3m n VAL 89 N -1.29 2.19 0.33 0.00 0.24 0.85 -4.54 118.33 116.11 2k3m n VAL 89 Ca 0.11 -0.99 0.18 0.00 -2.04 0.00 0.00 64.34 61.60 2k3m n VAL 89 Cb 0.19 -1.19 0.97 0.00 -1.47 0.00 0.00 33.84 32.33 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 2.84 0.00 0.00 7.63 0.00 -1.69 -3.21 103.07 108.64 2k3m h GLY 90 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2k3m h GLY 90 CO 0.43 0.00 0.00 -1.05 0.00 0.00 0.00 176.54 175.92 2k3m n PRO 91 N -2.92 0.00 -0.35 4.80 -0.01 -1.26 -2.84 135.00 132.41 2k3m n PRO 91 Ca -0.02 0.00 0.28 0.00 -0.01 0.00 0.00 63.50 63.75 2k3m n PRO 91 Cb 0.24 -0.96 0.58 0.00 -0.01 0.00 0.00 33.50 33.36 2k3m n PRO 91 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 2k3m h HIS 92 N 0.00 0.51 -0.35 6.00 2.76 -1.96 2.60 115.15 124.70 2k3m h HIS 92 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2k3m h HIS 92 Cb 0.00 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 2k3m h HIS 92 CO 0.00 -0.01 0.16 1.25 -1.30 0.00 0.00 177.93 178.03 2k3m h LEU 93 N 0.25 0.46 0.25 0.26 5.85 -1.89 3.27 115.31 123.78 2k3m h LEU 93 Ca 0.64 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 59.24 2k3m h LEU 93 Cb 1.90 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.77 2k3m h LEU 93 CO -0.27 0.47 -0.44 0.00 -0.34 0.00 0.00 178.44 177.86 2k3m h ALA 94 N 1.01 -0.87 -0.16 1.25 0.00 0.40 0.37 119.26 121.27 2k3m h ALA 94 Ca 0.12 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2k3m h ALA 94 Cb 0.13 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k3m h ALA 94 CO -0.01 -1.04 0.12 0.00 0.00 0.00 0.00 179.25 178.31 2k3m h ARG 95 N -0.77 0.00 -0.19 0.00 -0.00 -0.02 -2.29 114.38 111.11 2k3m h ARG 95 Ca -0.01 0.00 0.05 0.00 -0.50 0.00 0.00 59.98 59.52 2k3m h ARG 95 Cb 0.73 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.65 2k3m h ARG 95 CO -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 179.97 179.67 2k3m h ALA 96 N 1.91 0.03 -1.17 0.04 0.00 1.03 0.25 119.26 121.34 2k3m h ALA 96 Ca 0.08 0.07 0.34 0.00 0.00 0.00 0.00 54.91 55.40 2k3m h ALA 96 Cb 0.32 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2k3m h ALA 96 CO -0.00 -0.55 0.96 -0.11 0.00 0.00 0.00 179.25 179.55 2k3m n LEU 97 N -5.28 0.00 -0.09 0.00 -0.00 -0.63 0.74 117.00 111.73 2k3m n LEU 97 Ca -0.02 0.64 -0.16 0.00 -0.00 0.00 0.00 56.01 56.48 2k3m n LEU 97 Cb 0.20 -0.29 -0.08 0.00 -0.00 0.00 0.00 43.42 43.24 2k3m n LEU 97 CO 0.21 -0.64 -0.42 1.23 -0.00 0.00 0.00 177.39 177.76 2k3m h GLY 98 N 0.00 0.00 0.35 -3.96 0.00 -0.71 -3.33 103.07 95.42 2k3m h GLY 98 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 2k3m h GLY 98 CO -0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 2k3m n GLN 99 N -4.50 0.80 0.05 4.80 1.13 0.79 -3.16 117.38 117.28 2k3m n GLN 99 Ca -0.23 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.70 2k3m n GLN 99 Cb 0.53 -1.18 -0.08 0.00 0.11 0.00 0.00 30.24 29.62 2k3m n GLN 99 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 2k3m h ILE 100 N 0.00 1.07 0.19 5.09 2.10 2.59 0.38 117.51 128.94 2k3m h ILE 100 Ca 0.00 -0.39 0.01 0.00 1.08 0.00 0.00 64.86 65.55 2k3m h ILE 100 Cb 0.00 1.33 -0.04 0.00 -1.09 0.00 0.00 36.82 37.02 2k3m h ILE 100 CO 0.00 0.10 -0.52 0.58 -1.08 0.00 0.00 178.15 177.23 2k3m h VAL 101 N -0.24 0.00 -0.34 2.19 2.07 -1.75 1.30 116.25 119.48 2k3m h VAL 101 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 2k3m h VAL 101 Cb 0.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2k3m h VAL 101 CO 0.01 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.00 2k3m h ARG 103 N 0.00 0.00 -0.72 0.00 2.43 0.31 -2.93 114.38 113.47 2k3m h ARG 103 Ca 0.16 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2k3m h ARG 103 Cb 0.95 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.45 2k3m h ARG 103 CO -0.00 0.79 0.10 0.98 -1.51 0.00 0.00 179.97 180.33 2k3m n TYR 104 N -4.57 1.86 0.00 2.20 4.19 0.41 -4.78 117.16 116.48 2k3m n TYR 104 Ca -0.16 -0.78 0.00 0.00 3.31 0.00 0.00 57.90 60.27 2k3m n TYR 104 Cb 0.48 -0.51 0.00 0.00 0.49 0.00 0.00 39.34 39.80 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2k3m n GLY 105 N 0.27 -0.24 2.22 2.98 0.00 1.49 -4.86 105.19 107.04 2k3m n GLY 105 Ca 0.28 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.03 0.10 4.61 0.00 -0.38 -4.85 120.51 114.95 2k3m n ALA 106 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2k3m n ALA 106 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.86 0.35 0.52 0.00 -1.04 -1.26 -4.78 114.28 109.93 2k3m n THR 107 Ca 0.00 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2k3m n THR 107 Cb 0.00 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 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 -3.34 0.61 -0.05 12.58 0.24 -1.26 -3.24 118.33 123.88 2k3m n VAL 108 Ca 0.00 -0.02 -0.08 0.00 -2.04 0.00 0.00 64.34 62.20 2k3m n VAL 108 Cb 0.00 -0.82 -0.05 0.00 -1.47 0.00 0.00 33.84 31.50 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 0.78 0.61 0.27 1.34 -5.35 -1.26 -4.63 119.36 111.12 2k3m n ILE 109 Ca 0.00 -0.23 0.14 0.00 -0.27 0.00 0.00 62.75 62.39 2k3m n ILE 109 Cb 0.29 -0.91 0.75 0.00 -1.74 0.00 0.00 39.64 38.03 2k3m n ILE 109 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 2k3m h PRO 110 N -0.02 0.00 0.22 6.28 0.11 -1.89 -2.20 132.00 134.50 2k3m h PRO 110 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2k3m h PRO 110 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2k3m h PRO 110 CO -0.04 0.10 -0.11 -2.95 -0.21 0.00 0.00 178.00 174.79 2k3m h ASN 111 N 0.00 -0.25 -0.82 -2.05 -1.07 -1.82 -1.37 115.58 108.20 2k3m h ASN 111 Ca -0.00 0.01 0.21 0.00 0.07 0.00 0.00 56.30 56.58 2k3m h ASN 111 Cb 0.34 0.07 -0.05 0.00 -2.07 0.00 0.00 38.32 36.61 2k3m h ASN 111 CO 0.01 -0.13 0.56 -0.29 0.07 0.00 0.00 177.43 177.66 2k3m h ILE 112 N -0.40 0.66 0.18 6.14 -0.00 -1.82 0.11 117.51 122.39 2k3m h ILE 112 Ca -0.03 -0.07 0.01 0.00 -0.00 0.00 0.00 64.86 64.77 2k3m h ILE 112 Cb 0.23 0.43 -0.03 0.00 -0.00 0.00 0.00 36.82 37.45 2k3m h ILE 112 CO 0.05 0.04 -0.30 0.78 -0.00 0.00 0.00 178.15 178.72 2k3m h ASN 113 N 0.21 -0.84 0.03 2.19 4.21 -1.27 2.08 115.58 122.19 2k3m h ASN 113 Ca 0.41 0.09 -0.00 0.00 1.21 0.00 0.00 56.30 58.00 2k3m h ASN 113 Cb 1.27 0.31 -0.00 0.00 -1.12 0.00 0.00 38.32 38.78 2k3m h ASN 113 CO -0.09 -0.40 -0.02 0.00 -1.29 0.00 0.00 177.43 175.63 2k3m h ALA 114 N 0.08 1.89 0.10 -0.83 0.00 0.38 0.27 119.26 121.15 2k3m h ALA 114 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k3m h ALA 114 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k3m h ALA 114 CO -0.13 0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.10 2k3m h ALA 115 N 1.98 -0.14 -0.56 0.00 0.00 -0.20 -3.11 119.26 117.24 2k3m h ALA 115 Ca -0.00 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2k3m h ALA 115 Cb 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 2k3m h ALA 115 CO 0.00 -0.13 0.01 0.97 0.00 0.00 0.00 179.25 180.11 2k3m h ILE 116 N -1.03 0.56 -0.94 0.00 6.09 0.34 0.58 117.51 123.11 2k3m h ILE 116 Ca -0.01 -0.05 0.10 0.00 -1.37 0.00 0.00 64.86 63.53 2k3m h ILE 116 Cb 0.14 0.42 -0.12 0.00 0.47 0.00 0.00 36.82 37.73 2k3m h ILE 116 CO 0.02 0.02 -0.51 -0.62 -3.07 0.00 0.00 178.15 174.00 2k3m n GLU 117 N -5.24 -0.37 0.11 2.19 1.02 0.93 0.39 120.64 119.67 2k3m n GLU 117 Ca 0.07 1.43 -0.13 0.00 -0.02 0.00 0.00 57.16 58.52 2k3m n GLU 117 Cb 0.31 -2.11 -0.06 0.00 -0.02 0.00 0.00 31.44 29.55 2k3m n GLU 117 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k3m h VAL 118 N 0.00 0.74 0.02 2.62 2.07 -0.40 0.81 116.25 122.12 2k3m h VAL 118 Ca 0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2k3m h VAL 118 Cb 0.43 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2k3m h VAL 118 CO -0.90 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 176.92 2k3m h LEU 119 N -0.26 -0.05 0.00 2.57 7.12 0.75 -3.39 115.31 122.05 2k3m h LEU 119 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2k3m h LEU 119 Cb 0.24 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2k3m h LEU 119 CO -0.03 -0.03 0.00 0.61 -0.13 0.00 0.00 178.44 178.87 2k3m n GLY 120 N -1.02 0.00 0.00 3.75 0.00 1.27 -5.04 105.19 104.16 2k3m n GLY 120 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3m n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 121 N -0.24 0.00 0.00 2.61 5.66 0.28 -4.91 114.28 117.67 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 3.35 3.51 1.09 0.00 -1.26 -4.83 105.19 107.04 2k3m n GLY 122 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2k3m n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 123 N -1.65 0.00 -3.83 2.61 -1.04 -1.26 -4.65 114.28 104.46 2k3m n THR 123 Ca 0.00 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.05 61.48 2k3m n THR 123 Cb 0.00 -0.77 0.01 0.00 -1.82 0.00 0.00 70.33 67.75 2k3m n THR 123 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k3m s ASP 124 N 4.16 -0.06 -0.04 8.00 2.15 -1.26 -4.87 116.67 124.74 2k3m s ASP 124 Ca 1.12 -0.65 -0.09 0.00 0.43 0.00 0.00 52.55 53.36 2k3m s ASP 124 Cb -0.54 0.55 0.02 0.00 -0.30 0.00 0.00 42.92 42.65 2k3m s ASP 124 CO 0.36 -1.07 0.22 -0.47 -0.17 0.00 0.00 175.17 174.05 2k3m s TYR 125 N -2.62 -0.15 -0.04 -5.34 5.04 -1.26 -5.16 117.35 107.82 2k3m s TYR 125 Ca 0.17 0.32 -0.10 0.00 -2.44 0.00 0.00 57.07 55.02 2k3m s TYR 125 Cb -0.03 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.35 2k3m s TYR 125 CO 0.05 -0.24 0.24 1.03 -1.34 0.00 0.00 175.55 175.29 2k3m s ARG 126 N -0.67 0.48 0.00 4.97 1.81 -1.26 -5.00 118.95 119.28 2k3m s ARG 126 Ca -0.08 -0.07 0.24 0.00 -1.72 0.00 0.00 55.73 54.10 2k3m s ARG 126 Cb -0.04 0.21 0.19 0.00 -0.45 0.00 0.00 34.95 34.86 2k3m s ARG 126 CO 0.02 -0.11 1.25 1.97 -0.68 0.00 0.00 175.30 177.74