#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 0.19 0.00 3.17 3.41 -1.26 -4.82 113.62 114.32 2k3m n SER 2 Ca 0.00 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 2k3m n SER 2 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2k3m n SER 2 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2k3m n ASP 3 N -0.58 0.00 -3.66 4.04 5.68 -1.26 -5.19 116.55 115.58 2k3m n ASP 3 Ca 0.10 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.24 2k3m n ASP 3 Cb 0.08 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.39 -0.06 2.11 5.36 -1.26 -5.17 117.98 118.57 2k3m s PHE 4 Ca 0.00 0.66 -0.19 0.00 -0.96 0.00 0.00 56.93 56.44 2k3m s PHE 4 Cb 0.00 0.23 0.04 0.00 -0.34 0.00 0.00 43.02 42.95 2k3m s PHE 4 CO 0.00 -0.48 0.44 -0.51 -1.46 0.00 0.00 175.22 173.21 2k3m s ASP 5 N -1.22 -0.37 0.63 6.13 1.01 -1.26 -5.04 116.67 116.54 2k3m s ASP 5 Ca -0.12 0.42 0.01 0.00 0.71 0.00 0.00 52.55 53.57 2k3m s ASP 5 Cb -0.03 0.50 0.11 0.00 1.01 0.00 0.00 42.92 44.51 2k3m s ASP 5 CO 0.07 -0.43 0.76 0.41 0.21 0.00 0.00 175.17 176.18 2k3m n THR 6 N 1.50 0.00 0.31 -1.27 -1.04 -1.26 -4.56 114.28 107.95 2k3m n THR 6 Ca -0.19 -1.28 -0.17 0.00 -2.04 0.00 0.00 64.05 60.37 2k3m n THR 6 Cb 0.56 -0.94 -0.09 0.00 -1.82 0.00 0.00 70.33 68.05 2k3m n THR 6 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2k3m h GLU 7 N 0.00 -0.72 0.30 -2.82 4.81 -2.01 8.89 114.58 123.04 2k3m h GLU 7 Ca -0.25 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2k3m h GLU 7 Cb 0.96 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2k3m h GLU 7 CO 0.28 -0.48 -0.48 0.07 -0.73 0.00 0.00 179.01 177.68 2k3m h ARG 8 N -0.74 -0.81 -0.05 1.92 0.11 -1.95 2.34 114.38 115.21 2k3m h ARG 8 Ca -0.07 0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2k3m h ARG 8 Cb 0.57 0.18 -0.00 0.00 1.11 0.00 0.00 29.97 31.83 2k3m h ARG 8 CO 0.12 -0.54 0.01 -0.39 0.10 0.00 0.00 179.97 179.27 2k3m h VAL 9 N -0.84 1.22 0.76 0.08 -1.51 -1.91 1.51 116.25 115.57 2k3m h VAL 9 Ca -0.02 -0.67 -0.04 0.00 -1.23 0.00 0.00 66.70 64.74 2k3m h VAL 9 Cb 0.78 1.59 0.01 0.00 -2.13 0.00 0.00 31.29 31.54 2k3m h VAL 9 CO -0.16 0.18 -0.37 -1.28 -1.23 0.00 0.00 177.57 174.71 2k3m h SER 10 N -0.18 -0.87 -0.81 4.19 0.87 1.94 2.59 113.55 121.27 2k3m h SER 10 Ca 0.01 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2k3m h SER 10 Cb 0.29 0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 2k3m h SER 10 CO 0.00 -0.59 0.42 -0.09 -0.53 0.00 0.00 176.83 176.04 2k3m h ARG 11 N -1.08 1.15 0.33 2.24 9.65 0.39 3.70 114.38 130.76 2k3m h ARG 11 Ca -0.10 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.61 2k3m h ARG 11 Cb 0.80 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2k3m h ARG 11 CO 0.17 0.87 -0.16 0.00 2.80 0.00 0.00 179.97 183.65 2k3m h ALA 12 N 1.22 -0.45 0.26 2.80 0.00 0.23 0.91 119.26 124.23 2k3m h ALA 12 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k3m h ALA 12 Cb 0.07 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k3m h ALA 12 CO -0.04 -0.55 -0.12 -0.39 0.00 0.00 0.00 179.25 178.15 2k3m h VAL 13 N -0.85 0.79 0.55 0.00 -1.51 0.47 1.20 116.25 116.91 2k3m h VAL 13 Ca -0.05 -0.32 -0.03 0.00 -1.23 0.00 0.00 66.70 65.08 2k3m h VAL 13 Cb 0.52 0.97 0.01 0.00 -2.13 0.00 0.00 31.29 30.66 2k3m h VAL 13 CO 0.07 0.07 -0.27 0.00 -1.23 0.00 0.00 177.57 176.22 2k3m h ALA 14 N 0.19 -1.16 0.37 5.19 0.00 0.70 0.95 119.26 125.49 2k3m h ALA 14 Ca -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k3m h ALA 14 Cb 0.38 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2k3m h ALA 14 CO 0.06 -1.11 -0.34 0.00 0.00 0.00 0.00 179.25 177.86 2k3m h ALA 15 N -1.64 -0.75 0.47 0.00 0.00 0.82 1.61 119.26 119.78 2k3m h ALA 15 Ca -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k3m h ALA 15 Cb 0.57 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k3m h ALA 15 CO 0.12 -0.96 -0.23 0.00 0.00 0.00 0.00 179.25 178.19 2k3m h ALA 16 N -0.26 -0.63 0.38 0.00 0.00 0.15 2.05 119.26 120.95 2k3m h ALA 16 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2k3m h ALA 16 Cb 0.65 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k3m h ALA 16 CO -0.05 -0.72 -0.26 1.25 0.00 0.00 0.00 179.25 179.48 2k3m h LEU 17 N -0.91 -0.65 0.32 0.00 6.46 0.14 -0.98 115.31 119.68 2k3m h LEU 17 Ca -0.06 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2k3m h LEU 17 Cb 0.59 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 2k3m h LEU 17 CO 0.11 -0.40 -0.15 -0.37 -0.62 0.00 0.00 178.44 177.00 2k3m h VAL 18 N -0.62 0.33 -1.82 1.05 -1.51 0.26 -3.39 116.25 110.55 2k3m h VAL 18 Ca -0.04 -0.77 -0.17 0.00 -1.23 0.00 0.00 66.70 64.49 2k3m h VAL 18 Cb 0.52 0.54 0.10 0.00 -2.13 0.00 0.00 31.29 30.33 2k3m h VAL 18 CO 0.02 0.08 -0.08 0.61 -1.23 0.00 0.00 177.57 176.97 2k3m n GLY 19 N 0.41 -3.35 0.11 5.19 0.00 0.69 -4.90 105.19 103.34 2k3m n GLY 19 Ca -0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 44.84 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 0.76 1.61 0.14 -1.79 -3.33 132.00 129.38 2k3m h PRO 20 Ca -0.18 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 65.92 2k3m h PRO 20 Cb 0.61 0.00 0.01 0.00 0.14 0.00 0.00 31.00 31.76 2k3m h PRO 20 CO 0.11 0.67 -0.36 0.78 0.14 0.00 0.00 178.00 179.33 2k3m h GLY 21 N 3.33 -1.06 0.31 1.56 0.00 -1.80 3.85 103.07 109.27 2k3m h GLY 21 Ca -0.03 0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.75 2k3m h GLY 21 CO 0.09 -0.39 -0.17 -1.33 0.00 0.00 0.00 176.54 174.74 2k3m h GLY 22 N -1.15 -0.03 1.85 4.60 0.00 -1.41 0.83 103.07 107.76 2k3m h GLY 22 Ca -0.10 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2k3m h GLY 22 CO 0.17 -0.17 0.01 -2.08 0.00 0.00 0.00 176.54 174.47 2k3m h VAL 23 N -0.17 1.09 0.59 4.60 2.07 -1.30 -1.60 116.25 121.53 2k3m h VAL 23 Ca 0.13 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2k3m h VAL 23 Cb 0.36 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2k3m h VAL 23 CO -0.32 0.11 -0.38 0.00 0.02 0.00 0.00 177.57 177.00 2k3m h ALA 24 N 1.82 -1.18 -0.49 1.67 0.00 1.44 0.19 119.26 122.71 2k3m h ALA 24 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k3m h ALA 24 Cb 0.13 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2k3m h ALA 24 CO 0.00 -1.15 0.27 1.37 0.00 0.00 0.00 179.25 179.75 2k3m h LEU 25 N -0.91 0.60 0.76 0.00 8.10 -1.12 0.19 115.31 122.93 2k3m h LEU 25 Ca -0.08 -0.08 -0.03 0.00 0.11 0.00 0.00 57.88 57.79 2k3m h LEU 25 Cb 0.73 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 2k3m h LEU 25 CO 0.07 0.51 -0.42 0.58 -4.11 0.00 0.00 178.44 175.08 2k3m h VAL 26 N 0.64 0.16 -0.55 0.15 2.07 -1.24 0.47 116.25 117.96 2k3m h VAL 26 Ca 0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 2k3m h VAL 26 Cb 0.04 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2k3m h VAL 26 CO -0.03 0.00 0.18 1.62 0.02 0.00 0.00 177.57 179.36 2k3m h VAL 27 N -1.09 1.21 0.58 2.57 3.04 -0.60 0.56 116.25 122.53 2k3m h VAL 27 Ca -0.10 -0.71 -0.03 0.00 -1.01 0.00 0.00 66.70 64.85 2k3m h VAL 27 Cb 0.86 0.60 0.01 0.00 -2.01 0.00 0.00 31.29 30.74 2k3m h VAL 27 CO 0.13 0.27 -0.28 0.50 -1.01 0.00 0.00 177.57 177.19 2k3m h LYS 28 N 0.79 -0.75 -0.17 4.17 1.63 -0.39 0.46 116.57 122.31 2k3m h LYS 28 Ca 0.18 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 2k3m h LYS 28 Cb 0.22 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2k3m h LYS 28 CO -0.01 -0.44 0.06 0.28 -3.45 0.00 0.00 179.45 175.89 2k3m h VAL 29 N -1.05 1.17 0.66 2.00 2.07 0.05 0.50 116.25 121.65 2k3m h VAL 29 Ca -0.08 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2k3m h VAL 29 Cb 0.66 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2k3m h VAL 29 CO 0.13 0.16 -0.32 0.00 0.02 0.00 0.00 177.57 177.56 2k3m h ALA 31 N -1.34 0.29 -3.86 0.00 0.00 -0.12 -3.48 119.26 110.75 2k3m h ALA 31 Ca -0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2k3m h ALA 31 Cb 0.68 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.43 2k3m h ALA 31 CO 0.15 -0.25 -0.16 0.41 0.00 0.00 0.00 179.25 179.40 2k3m n GLY 32 N -1.16 -0.20 0.00 0.00 0.00 0.18 -4.82 105.19 99.20 2k3m n GLY 32 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2k3m n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3m n LEU 33 N -1.73 -1.62 0.00 0.99 4.77 -1.25 -4.83 117.00 113.33 2k3m n LEU 33 Ca -0.01 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2k3m n LEU 33 Cb 0.52 0.79 0.47 0.00 -2.33 0.00 0.00 43.42 42.88 2k3m n LEU 33 CO 0.20 0.00 0.78 -0.81 -1.33 0.00 0.00 177.39 176.23 2k3m n PRO 34 N 0.17 0.29 0.37 3.23 -0.04 -1.26 -3.90 135.00 133.85 2k3m n PRO 34 Ca 0.00 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 2k3m n PRO 34 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2k3m n PRO 34 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2k3m h GLY 35 N 3.03 -1.00 0.00 0.55 0.00 -1.96 -3.44 103.07 100.25 2k3m h GLY 35 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2k3m h GLY 35 CO 0.00 -0.36 0.00 1.55 0.00 0.00 0.00 176.54 177.73 2k3m n VAL 36 N -4.81 0.00 -2.17 4.60 3.14 -1.25 -4.96 118.33 112.87 2k3m n VAL 36 Ca -0.12 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.24 2k3m n VAL 36 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 2k3m n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k3m n ILE 37 N 0.00 -5.98 -3.82 1.55 0.00 -1.26 -5.04 119.36 104.81 2k3m n ILE 37 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 62.75 62.84 2k3m n ILE 37 Cb 0.00 -5.41 -0.15 0.00 0.00 0.00 0.00 39.64 34.07 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2k3m s HIS 38 N -2.20 0.05 -0.20 9.51 3.76 -1.26 -5.11 115.29 119.84 2k3m s HIS 38 Ca 0.08 0.08 -0.05 0.00 -0.15 0.00 0.00 55.06 55.01 2k3m s HIS 38 Cb -0.02 -0.18 -0.02 0.00 1.11 0.00 0.00 32.58 33.46 2k3m s HIS 38 CO 0.36 -0.06 -0.00 -0.08 -0.85 0.00 0.00 174.74 174.11 2k3m s THR 39 N 0.73 3.94 0.63 1.30 -1.32 -1.26 -4.99 115.64 114.66 2k3m s THR 39 Ca -0.06 -0.32 0.26 0.00 -1.21 0.00 0.00 61.69 60.36 2k3m s THR 39 Cb -0.09 -2.78 0.31 0.00 -1.51 0.00 0.00 72.50 68.43 2k3m s THR 39 CO -0.02 0.43 1.74 -0.65 -2.21 0.00 0.00 174.62 173.91 2k3m h PRO 40 N 7.47 0.00 -5.24 7.08 0.11 -2.08 -3.38 132.00 135.96 2k3m h PRO 40 Ca -0.36 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.19 2k3m h PRO 40 Cb 1.18 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.97 2k3m h PRO 40 CO 0.61 0.00 -0.84 0.00 -0.21 0.00 0.00 178.00 177.57 2k3m s ALA 41 N -4.35 1.51 0.11 -0.75 0.00 -1.26 -5.14 121.76 111.89 2k3m s ALA 41 Ca -0.03 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 2k3m s ALA 41 Cb 0.11 -0.51 0.07 0.00 0.00 0.00 0.00 23.12 22.79 2k3m s ALA 41 CO 0.38 0.26 0.83 0.50 0.00 0.00 0.00 175.76 177.74 2k3m s ARG 42 N 0.09 1.15 0.00 0.00 3.52 -1.26 -4.99 118.95 117.46 2k3m s ARG 42 Ca -0.05 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 2k3m s ARG 42 Cb -0.12 0.46 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 2k3m s ARG 42 CO 0.02 -0.52 0.03 -2.13 -0.81 0.00 0.00 175.30 171.90 2k3m n ARG 43 N -0.37 0.05 0.00 5.12 3.00 -1.26 -4.64 116.66 118.55 2k3m n ARG 43 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2k3m n ARG 43 Cb 0.62 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.85 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 0.71 0.68 3.73 5.14 0.00 -1.26 -4.65 105.19 109.55 2k3m n GLY 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -0.09 0.00 1.61 5.36 -1.26 -5.05 117.98 118.55 2k3m s PHE 45 Ca 0.00 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 2k3m s PHE 45 Cb 0.00 0.62 0.00 0.00 -0.34 0.00 0.00 43.02 43.30 2k3m s PHE 45 CO 0.00 -0.68 0.00 1.19 -1.46 0.00 0.00 175.22 174.27 2k3m n PHE 46 N -0.50 0.00 0.00 10.12 3.01 -1.26 -5.03 117.46 123.80 2k3m n PHE 46 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 2k3m n PHE 46 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 2k3m n PHE 46 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2k3m n ARG 47 N 0.00 0.00 -2.69 -1.08 3.00 -1.26 -5.03 116.66 109.60 2k3m n ARG 47 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k3m s ASN 49 N -2.68 0.33 0.00 0.00 4.22 -1.26 -5.02 114.94 110.53 2k3m s ASN 49 Ca 0.04 -1.10 -0.01 0.00 -2.14 0.00 0.00 52.86 49.65 2k3m s ASN 49 Cb -0.01 0.28 -0.06 0.00 1.28 0.00 0.00 41.25 42.74 2k3m s ASN 49 CO 0.59 -0.70 1.22 -0.81 -2.04 0.00 0.00 177.10 175.36 2k3m n PRO 50 N -0.04 0.53 -1.01 3.55 -0.04 -1.26 -4.44 135.00 132.29 2k3m n PRO 50 Ca -0.09 -0.22 -0.04 0.00 -0.04 0.00 0.00 63.50 63.11 2k3m n PRO 50 Cb 0.63 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 2.55 -1.85 -3.13 0.54 1.02 -1.26 -4.93 120.64 113.58 2k3m n GLU 51 Ca 0.09 0.58 -0.34 0.00 -0.02 0.00 0.00 57.16 57.47 2k3m n GLU 51 Cb 0.25 -4.81 -0.06 0.00 -0.02 0.00 0.00 31.44 26.80 2k3m n GLU 51 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2k3m s ARG 52 N -2.14 4.12 0.26 3.49 1.70 -1.26 -4.98 118.95 120.13 2k3m s ARG 52 Ca 0.00 0.76 -0.29 0.00 -0.47 0.00 0.00 55.73 55.72 2k3m s ARG 52 Cb 0.00 -2.65 -0.14 0.00 -0.57 0.00 0.00 34.95 31.58 2k3m s ARG 52 CO 0.00 0.28 1.05 1.51 -1.08 0.00 0.00 175.30 177.05 2k3m n ILE 53 N 0.17 1.68 -2.34 4.99 0.13 -1.26 -4.81 119.36 117.91 2k3m n ILE 53 Ca 0.01 -0.42 -0.38 0.00 -1.10 0.00 0.00 62.75 60.86 2k3m n ILE 53 Cb 0.52 -0.95 -0.02 0.00 -0.84 0.00 0.00 39.64 38.35 2k3m n ILE 53 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2k3m n GLN 54 N 1.04 2.59 -3.83 9.51 0.00 -1.26 -4.86 117.38 120.57 2k3m n GLN 54 Ca 0.11 -2.95 -0.10 0.00 0.00 0.00 0.00 57.00 54.07 2k3m n GLN 54 Cb 0.30 -3.57 -0.08 0.00 0.00 0.00 0.00 30.24 26.90 2k3m n GLN 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2k3m s ILE 55 N 6.65 0.12 0.00 -0.39 1.01 -1.26 -4.91 121.20 122.41 2k3m s ILE 55 Ca 0.59 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2k3m s ILE 55 Cb 0.03 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.40 2k3m s ILE 55 CO 0.10 -0.54 0.00 0.61 0.00 0.00 0.00 174.94 175.11 2k3m n GLY 56 N 0.34 0.71 3.56 6.18 0.00 -1.26 -5.05 105.19 109.66 2k3m n GLY 56 Ca -0.17 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 -1.73 6.24 1.02 1.61 -4.77 -1.26 -5.01 116.67 112.76 2k3m s ASP 57 Ca 0.00 -0.31 -0.17 0.00 -3.30 0.00 0.00 52.55 48.77 2k3m s ASP 57 Cb 0.00 -2.55 0.23 0.00 -1.09 0.00 0.00 42.92 39.50 2k3m s ASP 57 CO 0.00 -1.73 1.31 0.26 0.70 0.00 0.00 175.17 175.72 2k3m s TRP 58 N 5.47 1.25 -0.27 2.11 0.52 -1.26 -5.03 118.94 121.71 2k3m s TRP 58 Ca 0.37 0.28 -0.12 0.00 0.02 0.00 0.00 56.10 56.64 2k3m s TRP 58 Cb -0.08 -4.11 -0.12 0.00 -1.15 0.00 0.00 33.47 28.00 2k3m s TRP 58 CO 0.18 -2.95 -0.34 0.54 0.02 0.00 0.00 176.95 174.40 2k3m n ARG 59 N -3.97 0.59 0.00 4.98 3.00 -1.26 -4.59 116.66 115.40 2k3m n ARG 59 Ca 0.16 0.25 0.13 0.00 -0.01 0.00 0.00 57.85 58.38 2k3m n ARG 59 Cb 0.59 -1.48 0.41 0.00 0.00 0.00 0.00 32.46 31.98 2k3m n ARG 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2k3m n TYR 60 N -4.15 0.00 0.56 -1.55 0.18 -1.26 -3.85 117.16 107.09 2k3m n TYR 60 Ca -0.53 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.37 2k3m n TYR 60 Cb 0.89 -0.34 0.45 0.00 -0.38 0.00 0.00 39.34 39.97 2k3m n TYR 60 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 2k3m n GLU 61 N -1.45 0.20 -0.27 -3.48 2.13 -1.26 -3.83 120.64 112.67 2k3m n GLU 61 Ca 0.07 0.28 0.02 0.00 0.66 0.00 0.00 57.16 58.19 2k3m n GLU 61 Cb 0.33 -1.79 0.09 0.00 0.27 0.00 0.00 31.44 30.34 2k3m n GLU 61 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k3m h VAL 62 N 0.00 0.21 -0.15 6.31 2.07 -1.84 2.06 116.25 124.90 2k3m h VAL 62 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k3m h VAL 62 Cb 0.54 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2k3m h VAL 62 CO 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.55 2k3m h ALA 63 N 1.73 0.21 0.48 1.67 0.00 -1.87 2.57 119.26 124.04 2k3m h ALA 63 Ca 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2k3m h ALA 63 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2k3m h ALA 63 CO -0.81 -0.03 -0.48 1.25 0.00 0.00 0.00 179.25 179.19 2k3m h HIS 64 N -0.01 -1.32 0.22 0.00 6.17 -0.38 -1.63 115.15 118.20 2k3m h HIS 64 Ca 0.04 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 2k3m h HIS 64 Cb 0.48 0.51 0.00 0.00 2.52 0.00 0.00 27.41 30.93 2k3m h HIS 64 CO 0.05 -0.64 -0.11 0.22 0.71 0.00 0.00 177.93 178.16 2k3m h ASP 65 N -0.96 -0.25 0.00 3.26 3.58 0.30 -2.88 116.42 119.47 2k3m h ASP 65 Ca -0.05 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2k3m h ASP 65 Cb 0.84 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.96 2k3m h ASP 65 CO -0.07 0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 2k3m n GLY 66 N -0.24 0.39 0.00 -0.78 0.00 0.86 -3.19 105.19 102.22 2k3m n GLY 66 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 2k3m n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3m n ARG 67 N 1.03 0.61 -0.54 1.61 5.12 -0.62 -3.96 116.66 119.91 2k3m n ARG 67 Ca 0.00 0.02 0.40 0.00 -1.93 0.00 0.00 57.85 56.35 2k3m n ARG 67 Cb 0.08 -1.50 0.62 0.00 -1.16 0.00 0.00 32.46 30.51 2k3m n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2k3m n LEU 68 N -1.13 0.01 0.04 0.55 0.00 -1.19 0.06 117.00 115.33 2k3m n LEU 68 Ca 0.16 0.78 -0.02 0.00 0.00 0.00 0.00 56.01 56.93 2k3m n LEU 68 Cb 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 43.42 43.16 2k3m n LEU 68 CO 0.17 -0.78 0.27 -0.07 0.00 0.00 0.00 177.39 176.98 2k3m h LEU 69 N 0.00 -0.09 0.00 -1.96 4.07 -1.92 -3.08 115.31 112.33 2k3m h LEU 69 Ca 0.72 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.68 2k3m h LEU 69 Cb 2.85 0.02 0.00 0.00 1.08 0.00 0.00 40.66 44.62 2k3m h LEU 69 CO -0.03 -0.03 0.00 0.00 -1.08 0.00 0.00 178.44 177.30 2k3m n ALA 70 N -2.10 -0.02 0.00 1.53 0.00 0.11 -3.83 120.51 116.19 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 -0.97 1.28 0.00 0.00 0.00 -0.72 -4.46 120.51 115.63 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 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.39 0.00 -0.03 0.00 1.44 -0.94 0.30 115.22 115.60 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 -0.50 -0.11 0.00 0.12 0.00 0.00 29.99 29.50 2k3m n HIS 72 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k3m h MET 73 N 0.00 0.16 -0.86 -1.40 -0.00 -1.85 -3.33 114.93 107.64 2k3m h MET 73 Ca 0.00 -0.15 0.20 0.00 -0.00 0.00 0.00 59.70 59.75 2k3m h MET 73 Cb 0.00 0.04 -0.16 0.00 -0.00 0.00 0.00 31.60 31.48 2k3m h MET 73 CO 0.00 0.86 -0.09 0.28 -0.00 0.00 0.00 176.91 177.96 2k3m h VAL 74 N -0.49 0.17 0.00 -0.10 2.07 0.42 0.99 116.25 119.31 2k3m h VAL 74 Ca -0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k3m h VAL 74 Cb 0.92 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2k3m h VAL 74 CO 0.04 0.01 0.86 0.59 0.02 0.00 0.00 177.57 179.09 2k3m n ASN 75 N -5.48 0.00 0.11 0.57 4.13 -1.13 0.26 115.26 113.73 2k3m n ASN 75 Ca 0.16 0.42 0.20 0.00 1.68 0.00 0.00 54.58 57.03 2k3m n ASN 75 Cb 0.53 0.00 0.70 0.00 -1.54 0.00 0.00 39.78 39.46 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 -0.43 7.41 0.00 0.81 0.15 103.07 111.01 2k3m h GLY 76 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.57 2k3m h GLY 76 CO 0.00 0.00 0.29 0.16 0.00 0.00 0.00 176.54 176.99 2k3m h ILE 77 N 0.00 0.33 -0.09 2.60 3.07 0.35 1.06 117.51 124.83 2k3m h ILE 77 Ca 0.18 -0.08 0.03 0.00 1.55 0.00 0.00 64.86 66.54 2k3m h ILE 77 Cb 1.25 0.07 -0.00 0.00 -0.27 0.00 0.00 36.82 37.87 2k3m h ILE 77 CO -0.00 0.04 0.24 0.58 -1.05 0.00 0.00 178.15 177.96 2k3m h VAL 78 N 0.24 0.16 0.12 0.16 2.07 -1.20 1.05 116.25 118.85 2k3m h VAL 78 Ca 0.57 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.78 2k3m h VAL 78 Cb 1.18 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2k3m h VAL 78 CO -0.64 0.00 -1.67 0.16 0.02 0.00 0.00 177.57 175.44 2k3m h ILE 79 N 0.00 0.84 0.00 4.57 3.07 0.99 -3.00 117.51 123.98 2k3m h ILE 79 Ca 0.04 -2.37 -0.06 0.00 1.55 0.00 0.00 64.86 64.03 2k3m h ILE 79 Cb 0.52 2.58 -0.01 0.00 -0.27 0.00 0.00 36.82 39.64 2k3m h ILE 79 CO -0.00 0.76 -0.29 0.00 -1.05 0.00 0.00 178.15 177.57 2k3m h ALA 80 N -0.03 0.83 0.00 0.16 0.00 -0.67 -2.98 119.26 116.57 2k3m h ALA 80 Ca -0.36 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2k3m h ALA 80 Cb 1.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2k3m h ALA 80 CO 0.06 0.36 -0.10 0.39 0.00 0.00 0.00 179.25 179.96 2k3m n GLU 81 N -3.19 0.08 0.23 0.00 1.02 0.35 -4.64 120.64 114.48 2k3m n GLU 81 Ca 0.02 0.27 0.12 0.00 -0.02 0.00 0.00 57.16 57.56 2k3m n GLU 81 Cb 0.62 -0.89 0.39 0.00 -0.02 0.00 0.00 31.44 31.55 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2k3m h ASP 82 N -0.17 0.00 -0.87 1.62 5.19 -1.68 -3.32 116.42 117.18 2k3m h ASP 82 Ca 0.00 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.58 2k3m h ASP 82 Cb 0.10 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.44 2k3m h ASP 82 CO 0.00 0.11 -0.22 0.00 -3.12 0.00 0.00 179.24 176.01 2k3m n ALA 83 N -2.14 0.20 -0.11 3.45 0.00 -1.13 -1.41 120.51 119.37 2k3m n ALA 83 Ca 0.02 0.95 0.09 0.00 0.00 0.00 0.00 53.44 54.51 2k3m n ALA 83 Cb 0.46 -0.57 0.18 0.00 0.00 0.00 0.00 19.45 19.51 2k3m n ALA 83 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k3m n LEU 84 N -5.41 0.08 -0.13 0.00 -0.00 -1.25 0.12 117.00 110.41 2k3m n LEU 84 Ca 0.14 0.57 -0.25 0.00 -0.00 0.00 0.00 56.01 56.47 2k3m n LEU 84 Cb 0.43 -0.26 -0.11 0.00 -0.00 0.00 0.00 43.42 43.48 2k3m n LEU 84 CO -0.10 -0.63 -1.31 2.30 -0.00 0.00 0.00 177.39 177.64 2k3m n ILE 85 N -3.91 1.53 -0.27 1.47 -5.35 -0.50 -4.46 119.36 107.86 2k3m n ILE 85 Ca 0.12 -0.42 0.08 0.00 -0.27 0.00 0.00 62.75 62.26 2k3m n ILE 85 Cb 0.40 -1.76 0.22 0.00 -1.74 0.00 0.00 39.64 36.77 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m h ALA 86 N -0.62 1.15 -0.12 -1.28 0.00 0.13 0.94 119.26 119.46 2k3m h ALA 86 Ca -0.63 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2k3m h ALA 86 Cb 1.69 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2k3m h ALA 86 CO -0.29 -0.29 0.34 1.05 0.00 0.00 0.00 179.25 180.06 2k3m h GLU 87 N 0.37 0.00 0.00 0.00 4.11 0.71 1.18 114.58 120.96 2k3m h GLU 87 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 2k3m h GLU 87 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k3m h GLU 87 CO -0.48 0.00 -0.16 0.00 0.07 0.00 0.00 179.01 178.43 2k3m n ALA 88 N -2.04 2.50 -0.73 1.06 0.00 0.33 -3.35 120.51 118.27 2k3m n ALA 88 Ca 0.01 -0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 2k3m n ALA 88 Cb 0.43 -1.39 0.09 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.08 2.74 0.00 0.00 0.31 0.41 -4.45 118.33 115.27 2k3m n VAL 89 Ca 0.05 -1.65 -0.18 0.00 -0.01 0.00 0.00 64.34 62.55 2k3m n VAL 89 Cb 0.41 -0.95 -0.09 0.00 -0.91 0.00 0.00 33.84 32.30 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 2.19 0.72 -0.03 2.92 0.00 -1.66 -3.20 103.07 104.01 2k3m h GLY 90 Ca 0.41 -1.13 0.05 0.00 0.00 0.00 0.00 47.33 46.66 2k3m h GLY 90 CO 0.88 1.00 0.97 -2.55 0.00 0.00 0.00 176.54 176.84 2k3m h PRO 91 N 0.30 0.00 -0.96 4.80 0.11 -1.90 0.98 132.00 135.33 2k3m h PRO 91 Ca -0.08 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.18 2k3m h PRO 91 Cb 1.44 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.46 2k3m h PRO 91 CO 0.16 0.00 0.61 1.12 -0.21 0.00 0.00 178.00 179.67 2k3m h HIS 92 N 0.00 0.98 -0.41 0.65 2.07 -1.92 -1.28 115.15 115.24 2k3m h HIS 92 Ca 0.08 0.03 0.06 0.00 -2.85 0.00 0.00 60.37 57.68 2k3m h HIS 92 Cb 2.02 -0.31 -0.09 0.00 2.57 0.00 0.00 27.41 31.60 2k3m h HIS 92 CO 0.00 0.35 -0.52 1.37 -3.07 0.00 0.00 177.93 176.06 2k3m h LEU 93 N 0.82 -1.73 0.65 6.12 8.10 0.75 5.06 115.31 135.07 2k3m h LEU 93 Ca 0.49 0.24 -0.03 0.00 0.11 0.00 0.00 57.88 58.69 2k3m h LEU 93 Cb 0.67 0.72 0.00 0.00 -0.44 0.00 0.00 40.66 41.62 2k3m h LEU 93 CO -0.26 -0.40 -0.34 0.00 -4.11 0.00 0.00 178.44 173.34 2k3m h ALA 94 N 0.10 -0.91 0.36 0.17 0.00 -1.46 -1.69 119.26 115.84 2k3m h ALA 94 Ca 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 94 Cb 0.60 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2k3m h ALA 94 CO -0.59 -1.02 -0.45 0.00 0.00 0.00 0.00 179.25 177.19 2k3m h ARG 95 N -0.91 -0.83 0.00 0.00 3.08 -0.78 0.88 114.38 115.83 2k3m h ARG 95 Ca -0.09 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2k3m h ARG 95 Cb 0.71 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2k3m h ARG 95 CO 0.13 -0.55 0.48 0.00 -1.07 0.00 0.00 179.97 178.96 2k3m n ALA 96 N -2.79 0.26 0.00 0.04 0.00 1.65 -4.30 120.51 115.38 2k3m n ALA 96 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k3m n ALA 96 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.58 0.00 0.15 0.00 -0.00 0.30 0.39 117.00 116.25 2k3m n LEU 97 Ca -0.00 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.18 2k3m n LEU 97 Cb 0.49 0.00 0.61 0.00 -0.00 0.00 0.00 43.42 44.51 2k3m n LEU 97 CO 0.02 0.00 1.15 1.23 -0.00 0.00 0.00 177.39 179.79 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.85 3.45 103.07 102.72 2k3m h GLY 98 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2k3m h GLY 98 CO 0.00 0.00 -0.20 1.46 0.00 0.00 0.00 176.54 177.80 2k3m h GLN 99 N 0.00 0.00 -0.68 4.80 7.50 0.70 -1.67 115.11 125.77 2k3m h GLN 99 Ca 0.16 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.23 2k3m h GLN 99 Cb 1.42 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.93 2k3m h GLN 99 CO -0.00 0.20 0.10 0.82 -1.50 0.00 0.00 178.83 178.45 2k3m h ILE 100 N 0.00 1.27 0.61 2.54 1.08 0.63 -2.92 117.51 120.72 2k3m h ILE 100 Ca -0.00 -1.05 -0.02 0.00 -0.39 0.00 0.00 64.86 63.39 2k3m h ILE 100 Cb 0.64 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 2k3m h ILE 100 CO 0.03 0.40 -0.37 1.62 -0.69 0.00 0.00 178.15 179.13 2k3m h VAL 101 N 1.05 0.25 0.00 1.67 3.04 -1.16 -0.24 116.25 120.85 2k3m h VAL 101 Ca 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 2k3m h VAL 101 Cb 0.45 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 2k3m h VAL 101 CO 0.01 0.00 0.81 0.00 -1.01 0.00 0.00 177.57 177.38 2k3m n ARG 103 N -2.19 0.69 -0.60 0.00 0.63 -0.18 -2.14 116.66 112.87 2k3m n ARG 103 Ca -0.00 0.21 0.08 0.00 -0.92 0.00 0.00 57.85 57.22 2k3m n ARG 103 Cb 0.81 -1.68 0.31 0.00 0.45 0.00 0.00 32.46 32.36 2k3m n ARG 103 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 2k3m n TYR 104 N -3.18 1.36 -0.08 -0.14 9.36 0.86 -4.66 117.16 120.68 2k3m n TYR 104 Ca -0.29 -0.79 0.00 0.00 3.32 0.00 0.00 57.90 60.14 2k3m n TYR 104 Cb 1.06 -0.37 0.00 0.00 -0.63 0.00 0.00 39.34 39.40 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 0.06 0.08 0.00 2.98 0.00 0.93 -4.94 105.19 104.30 2k3m n GLY 105 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 1.04 4.61 0.00 -0.91 -4.51 120.51 120.74 2k3m n ALA 106 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2k3m n ALA 106 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2k3m n ALA 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3m n THR 107 N 0.00 0.00 -0.07 0.00 -1.04 -1.26 -4.34 114.28 107.57 2k3m n THR 107 Ca 0.00 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.05 61.66 2k3m n THR 107 Cb 0.00 1.14 -0.08 0.00 -1.82 0.00 0.00 70.33 69.57 2k3m n THR 107 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k3m h VAL 108 N 2.42 0.97 -1.03 12.58 2.07 -1.98 -3.38 116.25 127.91 2k3m h VAL 108 Ca 0.00 -1.78 0.28 0.00 0.82 0.00 0.00 66.70 66.01 2k3m h VAL 108 Cb 0.74 1.89 -0.12 0.00 -1.52 0.00 0.00 31.29 32.27 2k3m h VAL 108 CO 0.00 0.33 0.62 0.16 0.02 0.00 0.00 177.57 178.70 2k3m h ILE 109 N -1.00 0.46 -0.95 4.57 3.07 -1.96 -2.87 117.51 118.83 2k3m h ILE 109 Ca -0.04 -0.16 0.25 0.00 1.55 0.00 0.00 64.86 66.47 2k3m h ILE 109 Cb 0.67 -0.03 -0.13 0.00 -0.27 0.00 0.00 36.82 37.05 2k3m h ILE 109 CO -0.02 0.08 0.47 -0.65 -1.05 0.00 0.00 178.15 176.98 2k3m h PRO 110 N 0.45 0.40 0.05 0.16 0.11 -1.78 1.71 132.00 133.10 2k3m h PRO 110 Ca 0.66 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.75 2k3m h PRO 110 Cb 1.47 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2k3m h PRO 110 CO -0.45 0.26 -0.02 -0.97 -0.21 0.00 0.00 178.00 176.60 2k3m h ASN 111 N 0.41 -0.06 -0.47 -2.05 -0.00 -1.76 -3.05 115.58 108.60 2k3m h ASN 111 Ca 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.92 2k3m h ASN 111 Cb 1.27 0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 39.58 2k3m h ASN 111 CO -0.55 -0.04 0.25 0.16 -0.00 0.00 0.00 177.43 177.25 2k3m h ILE 112 N -0.08 1.17 -0.32 2.57 3.07 -1.65 -3.02 117.51 119.25 2k3m h ILE 112 Ca -0.01 -0.46 0.04 0.00 1.55 0.00 0.00 64.86 65.98 2k3m h ILE 112 Cb 0.05 0.62 -0.06 0.00 -0.27 0.00 0.00 36.82 37.16 2k3m h ILE 112 CO 0.01 0.19 -0.44 -1.13 -1.05 0.00 0.00 178.15 175.73 2k3m h ASN 113 N 0.62 -1.47 0.13 2.16 -1.24 0.25 1.94 115.58 117.97 2k3m h ASN 113 Ca 0.16 0.19 -0.01 0.00 0.71 0.00 0.00 56.30 57.36 2k3m h ASN 113 Cb 0.07 0.60 -0.00 0.00 0.73 0.00 0.00 38.32 39.72 2k3m h ASN 113 CO -0.02 -0.32 -0.04 0.00 -1.29 0.00 0.00 177.43 175.76 2k3m h ALA 114 N -0.31 1.40 0.00 1.57 0.00 -1.58 -1.07 119.26 119.26 2k3m h ALA 114 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k3m h ALA 114 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k3m h ALA 114 CO -0.47 0.05 -0.10 0.00 0.00 0.00 0.00 179.25 178.73 2k3m h ALA 115 N 1.96 0.00 -0.04 0.00 0.00 0.56 -3.30 119.26 118.45 2k3m h ALA 115 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 115 Cb 0.11 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2k3m h ALA 115 CO 0.00 0.10 -0.04 0.82 0.00 0.00 0.00 179.25 180.14 2k3m h ILE 116 N -0.86 1.38 -0.31 0.00 2.04 0.26 -2.84 117.51 117.19 2k3m h ILE 116 Ca 0.00 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.71 2k3m h ILE 116 Cb 0.10 2.10 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 2k3m h ILE 116 CO 0.00 0.32 -0.47 -0.08 0.00 0.00 0.00 178.15 177.92 2k3m h GLU 117 N -0.37 -0.34 0.00 2.37 4.81 -1.29 3.11 114.58 122.87 2k3m h GLU 117 Ca 0.01 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k3m h GLU 117 Cb 0.54 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k3m h GLU 117 CO 0.01 -0.23 0.23 0.28 -0.73 0.00 0.00 179.01 178.57 2k3m h VAL 118 N -0.36 0.00 0.00 0.32 2.07 -1.64 -2.08 116.25 114.57 2k3m h VAL 118 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2k3m h VAL 118 Cb 0.51 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2k3m h VAL 118 CO -0.49 0.00 -0.00 0.25 0.02 0.00 0.00 177.57 177.35 2k3m h LEU 119 N 0.00 0.00 0.00 2.57 7.12 0.58 -3.43 115.31 122.15 2k3m h LEU 119 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2k3m h LEU 119 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.59 2k3m h LEU 119 CO 0.00 0.43 0.00 0.61 -0.13 0.00 0.00 178.44 179.35 2k3m n GLY 120 N 1.81 -1.21 0.00 3.75 0.00 -0.15 -4.96 105.19 104.43 2k3m n GLY 120 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3m n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 121 N -0.22 0.00 0.00 2.61 -1.04 -1.11 -5.04 114.28 109.47 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3m n GLY 122 N -0.29 2.21 2.23 3.41 0.00 -1.23 -4.90 105.19 106.62 2k3m n GLY 122 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 2k3m n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 123 N 0.00 0.00 -3.79 2.61 5.66 -1.26 -4.80 114.28 112.70 2k3m n THR 123 Ca 0.00 -0.32 -0.13 0.00 -3.05 0.00 0.00 64.05 60.55 2k3m n THR 123 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 2k3m n THR 123 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k3m s ASP 124 N 0.00 -0.21 -0.04 1.09 -1.08 -1.26 -4.94 116.67 110.23 2k3m s ASP 124 Ca 0.81 0.31 -0.16 0.00 -0.52 0.00 0.00 52.55 53.00 2k3m s ASP 124 Cb -0.52 0.44 0.03 0.00 -1.46 0.00 0.00 42.92 41.40 2k3m s ASP 124 CO 0.35 -0.22 0.36 -0.72 0.52 0.00 0.00 175.17 175.46 2k3m s TYR 125 N -0.44 -0.27 -0.01 -5.34 1.13 -1.26 -5.17 117.35 105.99 2k3m s TYR 125 Ca -0.05 0.47 -0.09 0.00 -1.41 0.00 0.00 57.07 55.99 2k3m s TYR 125 Cb -0.04 0.14 0.01 0.00 -1.10 0.00 0.00 41.96 40.97 2k3m s TYR 125 CO 0.01 -0.38 0.18 1.03 -2.51 0.00 0.00 175.55 173.88 2k3m s ARG 126 N -1.08 0.48 0.00 -3.49 1.81 -1.26 -5.20 118.95 110.21 2k3m s ARG 126 Ca -0.11 -0.26 0.17 0.00 -1.72 0.00 0.00 55.73 53.81 2k3m s ARG 126 Cb -0.04 0.21 0.13 0.00 -0.45 0.00 0.00 34.95 34.79 2k3m s ARG 126 CO 0.04 -0.11 1.03 1.97 -0.68 0.00 0.00 175.30 177.55