#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3m n SER 2 N 0.00 2.80 0.00 7.83 3.41 -1.26 -4.83 113.62 121.57 2k3m n SER 2 Ca 0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 2k3m n SER 2 Cb 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2k3m n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k3m n ASP 3 N 0.99 0.00 -3.67 4.04 9.92 -1.26 -5.19 116.55 121.38 2k3m n ASP 3 Ca 0.17 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.28 2k3m n ASP 3 Cb 0.45 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.85 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2k3m s PHE 4 N 0.00 -0.38 -0.02 1.24 5.36 -1.26 -5.18 117.98 117.74 2k3m s PHE 4 Ca 0.00 0.66 -0.23 0.00 -0.96 0.00 0.00 56.93 56.40 2k3m s PHE 4 Cb 0.00 0.22 0.05 0.00 -0.34 0.00 0.00 43.02 42.95 2k3m s PHE 4 CO 0.00 -0.46 0.51 0.16 -1.46 0.00 0.00 175.22 173.97 2k3m s ASP 5 N -1.15 -0.44 0.00 6.13 1.47 -1.26 -5.05 116.67 116.37 2k3m s ASP 5 Ca -0.12 0.38 0.00 0.00 1.18 0.00 0.00 52.55 54.00 2k3m s ASP 5 Cb -0.03 0.44 0.00 0.00 -0.34 0.00 0.00 42.92 42.99 2k3m s ASP 5 CO 0.06 -0.56 0.00 0.41 0.68 0.00 0.00 175.17 175.76 2k3m n THR 6 N 0.97 0.00 0.04 2.11 -1.04 -1.26 -4.42 114.28 110.68 2k3m n THR 6 Ca -0.20 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.79 2k3m n THR 6 Cb 0.57 -0.11 -0.01 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.13 -0.69 -2.82 4.81 -2.02 -2.03 114.58 111.69 2k3m h GLU 7 Ca 0.00 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 2k3m h GLU 7 Cb 0.00 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.33 2k3m h GLU 7 CO 0.00 -0.09 0.27 -0.09 -0.73 0.00 0.00 179.01 178.37 2k3m h ARG 8 N -0.39 0.42 0.09 1.92 2.43 -1.97 0.81 114.38 117.69 2k3m h ARG 8 Ca -0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k3m h ARG 8 Cb 0.10 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2k3m h ARG 8 CO 0.02 0.28 -0.04 0.28 -1.51 0.00 0.00 179.97 179.00 2k3m h VAL 9 N 0.43 1.06 -0.73 0.20 2.07 -1.91 0.42 116.25 117.79 2k3m h VAL 9 Ca 0.36 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2k3m h VAL 9 Cb 0.51 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2k3m h VAL 9 CO -0.36 0.13 0.27 -1.28 0.02 0.00 0.00 177.57 176.35 2k3m h SER 10 N -0.36 1.03 0.00 0.57 0.87 -0.54 -1.18 113.55 113.94 2k3m h SER 10 Ca -0.01 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2k3m h SER 10 Cb 0.30 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2k3m h SER 10 CO 0.02 0.93 -0.01 -0.09 -0.53 0.00 0.00 176.83 177.15 2k3m h ARG 11 N 1.06 0.00 -0.73 2.24 2.43 0.60 -2.58 114.38 117.39 2k3m h ARG 11 Ca 0.24 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.57 2k3m h ARG 11 Cb 0.24 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.66 2k3m h ARG 11 CO -0.02 0.51 -0.07 0.00 -1.51 0.00 0.00 179.97 178.89 2k3m h ALA 12 N -0.50 0.66 0.24 2.80 0.00 -0.22 3.03 119.26 125.28 2k3m h ALA 12 Ca -0.00 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2k3m h ALA 12 Cb 0.51 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k3m h ALA 12 CO -0.00 -0.42 -0.12 -0.39 0.00 0.00 0.00 179.25 178.32 2k3m h VAL 13 N 0.06 0.77 0.47 0.00 -1.51 -1.30 0.61 116.25 115.36 2k3m h VAL 13 Ca 0.38 -0.06 -0.02 0.00 -1.23 0.00 0.00 66.70 65.77 2k3m h VAL 13 Cb 0.64 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2k3m h VAL 13 CO -0.69 0.01 -0.27 0.00 -1.23 0.00 0.00 177.57 175.40 2k3m h ALA 14 N 0.40 -1.13 0.06 5.19 0.00 0.21 2.70 119.26 126.69 2k3m h ALA 14 Ca -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2k3m h ALA 14 Cb 0.27 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2k3m h ALA 14 CO 0.05 -1.10 -0.35 0.00 0.00 0.00 0.00 179.25 177.86 2k3m h ALA 15 N -1.55 -0.56 0.31 0.00 0.00 0.48 1.72 119.26 119.66 2k3m h ALA 15 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 15 Cb 0.54 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k3m h ALA 15 CO 0.08 -0.88 -0.15 0.00 0.00 0.00 0.00 179.25 178.29 2k3m h ALA 16 N 0.10 -0.42 0.16 0.00 0.00 0.23 2.65 119.26 121.97 2k3m h ALA 16 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 16 Cb 0.60 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2k3m h ALA 16 CO -0.24 -0.64 -0.21 1.25 0.00 0.00 0.00 179.25 179.41 2k3m h LEU 17 N -0.62 -0.59 0.38 0.00 5.85 0.50 0.75 115.31 121.59 2k3m h LEU 17 Ca -0.04 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k3m h LEU 17 Cb 0.45 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2k3m h LEU 17 CO 0.07 -0.31 -0.18 -0.37 -0.34 0.00 0.00 178.44 177.31 2k3m h VAL 18 N -0.43 0.36 -1.78 1.05 -1.51 0.26 -3.38 116.25 110.82 2k3m h VAL 18 Ca 0.01 -0.67 -0.11 0.00 -1.23 0.00 0.00 66.70 64.71 2k3m h VAL 18 Cb 0.43 0.56 0.06 0.00 -2.13 0.00 0.00 31.29 30.21 2k3m h VAL 18 CO -0.09 0.08 -0.01 0.61 -1.23 0.00 0.00 177.57 176.93 2k3m n GLY 19 N 0.09 -3.17 0.20 5.19 0.00 0.89 -4.92 105.19 103.47 2k3m n GLY 19 Ca -0.09 -1.35 0.09 0.00 0.00 0.00 0.00 46.02 44.67 2k3m n GLY 19 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3m h PRO 20 N 0.00 0.00 0.77 1.61 0.11 -1.75 -3.35 132.00 129.39 2k3m h PRO 20 Ca -0.11 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 2k3m h PRO 20 Cb 0.36 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.48 2k3m h PRO 20 CO 0.07 0.24 -0.38 0.78 -0.21 0.00 0.00 178.00 178.50 2k3m h GLY 21 N 3.05 -1.10 0.83 -0.55 0.00 -1.81 2.95 103.07 106.44 2k3m h GLY 21 Ca -0.00 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 2k3m h GLY 21 CO 0.03 -0.40 -0.28 -1.33 0.00 0.00 0.00 176.54 174.56 2k3m h GLY 22 N -1.05 -0.73 1.48 4.60 0.00 0.35 -1.48 103.07 106.24 2k3m h GLY 22 Ca -0.11 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 2k3m h GLY 22 CO 0.17 -0.27 0.24 -0.39 0.00 0.00 0.00 176.54 176.28 2k3m h VAL 23 N -0.69 1.16 0.44 4.60 -1.51 -1.46 -0.01 116.25 118.78 2k3m h VAL 23 Ca -0.04 -0.46 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 2k3m h VAL 23 Cb 0.58 0.54 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 2k3m h VAL 23 CO 0.03 0.19 -0.47 0.00 -1.23 0.00 0.00 177.57 176.09 2k3m h ALA 24 N 1.58 -1.11 -0.39 5.19 0.00 0.63 0.16 119.26 125.31 2k3m h ALA 24 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k3m h ALA 24 Cb 0.07 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2k3m h ALA 24 CO -0.02 -1.15 0.16 1.25 0.00 0.00 0.00 179.25 179.49 2k3m h LEU 25 N -0.92 0.53 1.00 0.00 5.85 -1.08 -0.49 115.31 120.20 2k3m h LEU 25 Ca -0.05 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2k3m h LEU 25 Cb 0.80 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.71 2k3m h LEU 25 CO -0.08 0.54 -0.49 0.58 -0.34 0.00 0.00 178.44 178.65 2k3m h VAL 26 N 0.49 0.00 -0.77 1.05 2.07 -0.83 0.98 116.25 119.24 2k3m h VAL 26 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2k3m h VAL 26 Cb 0.17 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 2k3m h VAL 26 CO -0.01 0.00 0.51 0.58 0.02 0.00 0.00 177.57 178.66 2k3m h VAL 27 N -1.36 1.14 0.33 2.57 2.07 -0.73 0.34 116.25 120.62 2k3m h VAL 27 Ca -0.14 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2k3m h VAL 27 Cb 1.04 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2k3m h VAL 27 CO 0.22 0.18 -0.16 0.50 0.02 0.00 0.00 177.57 178.33 2k3m h LYS 28 N 0.97 -0.43 -0.23 1.57 3.64 -0.95 0.29 116.57 121.43 2k3m h LYS 28 Ca 0.30 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2k3m h LYS 28 Cb -0.01 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2k3m h LYS 28 CO -0.08 -0.14 0.09 0.28 -2.27 0.00 0.00 179.45 177.33 2k3m h VAL 29 N -0.71 1.17 0.56 2.00 2.07 -0.55 0.24 116.25 121.04 2k3m h VAL 29 Ca -0.05 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2k3m h VAL 29 Cb 0.49 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2k3m h VAL 29 CO 0.08 0.17 -0.27 0.00 0.02 0.00 0.00 177.57 177.57 2k3m h ALA 31 N -1.31 -0.40 -2.66 0.00 0.00 -0.47 -3.49 119.26 110.93 2k3m h ALA 31 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k3m h ALA 31 Cb 0.58 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k3m h ALA 31 CO 0.13 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.17 2k3m n GLY 32 N -0.67 -0.26 1.06 0.00 0.00 0.84 -4.90 105.19 101.27 2k3m n GLY 32 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2k3m n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3m n LEU 33 N -0.78 -1.41 0.19 0.99 4.77 -1.26 -4.91 117.00 114.58 2k3m n LEU 33 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 2k3m n LEU 33 Cb 0.34 -0.71 0.79 0.00 -2.33 0.00 0.00 43.42 41.51 2k3m n LEU 33 CO 0.00 0.00 1.14 -0.65 -1.33 0.00 0.00 177.39 176.55 2k3m h PRO 34 N 0.00 0.00 0.28 3.23 0.11 -1.90 -2.74 132.00 130.98 2k3m h PRO 34 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2k3m h PRO 34 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2k3m h PRO 34 CO 0.00 0.00 -0.38 0.78 -0.21 0.00 0.00 178.00 178.19 2k3m h GLY 35 N 0.00 -0.84 -2.70 -0.55 0.00 -1.92 -3.42 103.07 93.64 2k3m h GLY 35 Ca 0.10 0.44 -0.46 0.00 0.00 0.00 0.00 47.33 47.42 2k3m h GLY 35 CO -0.00 -0.29 -0.26 0.54 0.00 0.00 0.00 176.54 176.53 2k3m s VAL 36 N -5.97 4.48 0.00 4.60 0.11 -1.03 -5.03 120.40 117.56 2k3m s VAL 36 Ca -0.17 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 2k3m s VAL 36 Cb 0.06 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 2k3m s VAL 36 CO 0.63 -0.31 0.00 -0.38 -3.33 0.00 0.00 175.10 171.71 2k3m n ILE 37 N -1.74 0.00 -3.86 7.04 2.08 -1.26 -4.75 119.36 116.86 2k3m n ILE 37 Ca -0.02 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.12 2k3m n ILE 37 Cb 0.57 0.00 -0.16 0.00 -0.75 0.00 0.00 39.64 39.30 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.38 0.56 0.00 0.00 176.55 175.73 2k3m s HIS 38 N 0.00 0.21 0.21 1.39 -3.43 -1.26 -5.09 115.29 107.32 2k3m s HIS 38 Ca 0.00 0.06 -0.02 0.00 -0.80 0.00 0.00 55.06 54.30 2k3m s HIS 38 Cb 0.00 -0.36 -0.05 0.00 -1.43 0.00 0.00 32.58 30.75 2k3m s HIS 38 CO 0.00 -0.12 0.42 0.95 -2.00 0.00 0.00 174.74 173.98 2k3m s THR 39 N 1.11 5.17 0.02 -5.38 -4.23 -1.26 -5.04 115.64 106.03 2k3m s THR 39 Ca -0.09 -0.25 -0.18 0.00 -1.18 0.00 0.00 61.69 59.99 2k3m s THR 39 Cb -0.13 -3.72 -0.27 0.00 1.34 0.00 0.00 72.50 69.71 2k3m s THR 39 CO -0.02 -0.17 1.06 1.55 -0.54 0.00 0.00 174.62 176.50 2k3m h PRO 40 N 2.04 0.50 -5.02 3.99 0.13 -2.08 -3.45 132.00 128.11 2k3m h PRO 40 Ca -0.48 -0.64 -0.58 0.00 -0.87 0.00 0.00 66.00 63.43 2k3m h PRO 40 Cb 1.19 0.21 -0.33 0.00 0.13 0.00 0.00 31.00 32.20 2k3m h PRO 40 CO 0.68 1.26 -0.84 0.00 -0.23 0.00 0.00 178.00 178.87 2k3m s ALA 41 N -2.96 1.62 0.06 -0.56 0.00 -1.26 -5.13 121.76 113.52 2k3m s ALA 41 Ca -0.11 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 50.90 2k3m s ALA 41 Cb 0.04 -0.62 0.09 0.00 0.00 0.00 0.00 23.12 22.62 2k3m s ALA 41 CO 0.88 0.22 0.91 -0.98 0.00 0.00 0.00 175.76 176.79 2k3m s ARG 42 N 0.38 0.96 0.00 0.00 1.70 -1.26 -4.99 118.95 115.74 2k3m s ARG 42 Ca -0.13 -0.43 0.00 0.00 -0.47 0.00 0.00 55.73 54.70 2k3m s ARG 42 Cb -0.15 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 2k3m s ARG 42 CO 0.05 -0.43 0.12 -2.13 -1.08 0.00 0.00 175.30 171.83 2k3m n ARG 43 N -0.33 0.19 0.00 3.89 3.00 -1.26 -4.69 116.66 117.46 2k3m n ARG 43 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2k3m n ARG 43 Cb 0.61 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.91 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 0.51 1.51 3.29 5.14 0.00 -1.26 -4.83 105.19 109.55 2k3m n GLY 44 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.12 -0.27 0.00 1.61 2.19 -1.26 -5.10 117.98 115.03 2k3m s PHE 45 Ca 0.00 0.43 0.00 0.00 0.33 0.00 0.00 56.93 57.69 2k3m s PHE 45 Cb 0.00 0.15 0.00 0.00 -1.31 0.00 0.00 43.02 41.86 2k3m s PHE 45 CO 0.00 -0.42 0.00 1.19 1.83 0.00 0.00 175.22 177.82 2k3m n PHE 46 N 1.26 0.00 0.00 10.12 3.72 -1.26 -5.06 117.46 126.24 2k3m n PHE 46 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2k3m n PHE 46 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 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 -1.72 -1.08 5.12 -1.26 -5.08 116.66 112.64 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 -2.19 4.10 -0.98 0.00 0.01 -1.26 -5.01 114.94 109.61 2k3m s ASN 49 Ca 0.00 -0.42 -0.06 0.00 -0.71 0.00 0.00 52.86 51.67 2k3m s ASN 49 Cb -0.00 -0.72 -0.07 0.00 0.41 0.00 0.00 41.25 40.88 2k3m s ASN 49 CO 0.10 0.21 2.30 -0.81 -1.51 0.00 0.00 177.10 177.40 2k3m n PRO 50 N 1.08 2.33 -3.31 -0.60 -0.04 -1.26 -4.42 135.00 128.78 2k3m n PRO 50 Ca -0.15 -1.54 -0.17 0.00 -0.04 0.00 0.00 63.50 61.60 2k3m n PRO 50 Cb 0.52 -2.47 0.07 0.00 -0.04 0.00 0.00 33.50 31.58 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 3.97 -2.40 -4.13 0.54 -0.58 -1.26 -5.03 120.64 111.75 2k3m n GLU 51 Ca 0.50 0.82 -0.16 0.00 -0.42 0.00 0.00 57.16 57.90 2k3m n GLU 51 Cb 0.18 -5.64 -0.05 0.00 -0.57 0.00 0.00 31.44 25.36 2k3m n GLU 51 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2k3m s ARG 52 N -4.64 1.88 0.09 3.49 1.70 -1.26 -5.01 118.95 115.20 2k3m s ARG 52 Ca 0.43 -1.82 -0.23 0.00 -0.47 0.00 0.00 55.73 53.64 2k3m s ARG 52 Cb -0.07 0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 2k3m s ARG 52 CO 0.75 -0.76 0.68 -1.50 -1.08 0.00 0.00 175.30 173.39 2k3m s ILE 53 N -3.13 4.62 -1.03 4.99 1.10 -1.26 -4.94 121.20 121.55 2k3m s ILE 53 Ca 0.33 1.46 -0.26 0.00 -0.51 0.00 0.00 60.65 61.68 2k3m s ILE 53 Cb 0.00 -4.02 -0.18 0.00 0.15 0.00 0.00 42.46 38.41 2k3m s ILE 53 CO 0.22 0.50 2.14 0.00 -2.11 0.00 0.00 174.94 175.69 2k3m s GLN 54 N -0.86 1.52 0.08 3.50 -2.07 -1.26 -4.80 119.66 115.77 2k3m s GLN 54 Ca 0.33 -0.34 -0.12 0.00 -1.82 0.00 0.00 55.36 53.41 2k3m s GLN 54 Cb -0.21 -4.98 0.01 0.00 -1.09 0.00 0.00 33.01 26.74 2k3m s GLN 54 CO 0.22 -4.97 0.28 -1.50 -1.32 0.00 0.00 175.29 167.99 2k3m s ILE 55 N 15.38 0.11 0.00 3.63 2.07 -1.26 -4.92 121.20 136.20 2k3m s ILE 55 Ca 0.81 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2k3m s ILE 55 Cb -0.06 -1.16 0.00 0.00 0.13 0.00 0.00 42.46 41.37 2k3m s ILE 55 CO 0.14 -0.48 0.00 0.61 -1.91 0.00 0.00 174.94 173.30 2k3m n GLY 56 N 0.12 0.71 3.55 1.50 0.00 -1.26 -5.05 105.19 104.77 2k3m n GLY 56 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2k3m n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k3m s ASP 57 N -1.84 6.02 0.73 1.61 -4.77 -1.26 -4.98 116.67 112.18 2k3m s ASP 57 Ca 0.00 -0.22 -0.04 0.00 -3.30 0.00 0.00 52.55 48.99 2k3m s ASP 57 Cb 0.00 -2.55 0.11 0.00 -1.09 0.00 0.00 42.92 39.38 2k3m s ASP 57 CO 0.00 -1.90 1.02 0.26 0.70 0.00 0.00 175.17 175.24 2k3m s TRP 58 N 6.29 2.10 -0.10 2.11 0.51 -1.26 -5.06 118.94 123.52 2k3m s TRP 58 Ca 0.42 0.02 -0.02 0.00 -2.12 0.00 0.00 56.10 54.40 2k3m s TRP 58 Cb -0.09 -3.18 -0.02 0.00 -0.81 0.00 0.00 33.47 29.37 2k3m s TRP 58 CO 0.17 -1.65 0.04 0.00 -0.51 0.00 0.00 176.95 175.00 2k3m h ARG 59 N -0.62 0.00 0.00 4.98 3.08 -2.00 -3.40 114.38 116.42 2k3m h ARG 59 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2k3m h ARG 59 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2k3m h ARG 59 CO 0.46 0.07 -0.43 2.48 -1.07 0.00 0.00 179.97 181.48 2k3m n TYR 60 N -4.76 0.00 0.45 3.04 4.11 -1.26 -4.11 117.16 114.63 2k3m n TYR 60 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.01 2k3m n TYR 60 Cb 0.05 -0.29 0.47 0.00 -0.00 0.00 0.00 39.34 39.57 2k3m n TYR 60 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 2k3m n GLU 61 N -1.50 0.19 -0.02 -3.48 0.28 -1.26 -3.89 120.64 110.96 2k3m n GLU 61 Ca 0.06 0.37 -0.14 0.00 -0.16 0.00 0.00 57.16 57.29 2k3m n GLU 61 Cb 0.34 -1.83 -0.08 0.00 1.43 0.00 0.00 31.44 31.29 2k3m n GLU 61 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2k3m h VAL 62 N 0.00 0.05 0.46 3.84 2.07 -1.80 2.40 116.25 123.27 2k3m h VAL 62 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2k3m h VAL 62 Cb 0.42 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2k3m h VAL 62 CO 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.37 2k3m h ALA 63 N -0.12 -0.62 0.10 1.67 0.00 -1.86 3.84 119.26 122.28 2k3m h ALA 63 Ca 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k3m h ALA 63 Cb 0.66 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2k3m h ALA 63 CO -0.45 -0.69 -0.36 0.45 0.00 0.00 0.00 179.25 178.20 2k3m h HIS 64 N -0.94 -1.00 0.01 0.00 3.86 -1.63 0.13 115.15 115.58 2k3m h HIS 64 Ca -0.06 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2k3m h HIS 64 Cb 0.58 0.43 0.00 0.00 1.06 0.00 0.00 27.41 29.48 2k3m h HIS 64 CO 0.01 -0.47 -0.01 0.22 0.86 0.00 0.00 177.93 178.55 2k3m h ASP 65 N -0.58 -0.01 0.00 2.45 1.82 0.40 -3.20 116.42 117.30 2k3m h ASP 65 Ca 0.03 -0.80 0.00 0.00 -0.39 0.00 0.00 57.03 55.87 2k3m h ASP 65 Cb 0.62 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.63 2k3m h ASP 65 CO -0.22 0.83 0.00 0.61 -1.61 0.00 0.00 179.24 178.85 2k3m n GLY 66 N 1.30 1.09 0.00 -0.78 0.00 1.27 -3.11 105.19 104.95 2k3m n GLY 66 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 0.55 0.75 -0.35 1.61 3.00 0.43 -4.05 116.66 118.59 2k3m n ARG 67 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 57.85 58.15 2k3m n ARG 67 Cb 0.25 -1.28 0.46 0.00 0.00 0.00 0.00 32.46 31.89 2k3m n ARG 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2k3m n LEU 68 N -0.78 0.00 0.15 6.15 4.77 -1.18 0.57 117.00 126.68 2k3m n LEU 68 Ca 0.10 0.61 -0.06 0.00 -0.03 0.00 0.00 56.01 56.64 2k3m n LEU 68 Cb 0.05 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2k3m n LEU 68 CO 0.08 -0.61 0.36 0.25 -1.33 0.00 0.00 177.39 176.14 2k3m h LEU 69 N 0.00 -0.33 0.00 2.23 6.46 -1.92 -2.91 115.31 118.85 2k3m h LEU 69 Ca 0.52 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.29 2k3m h LEU 69 Cb 2.36 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 42.37 2k3m h LEU 69 CO -0.01 -0.17 0.00 0.00 -0.62 0.00 0.00 178.44 177.64 2k3m n ALA 70 N -2.28 -0.00 0.00 1.25 0.00 0.19 -3.92 120.51 115.75 2k3m n ALA 70 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k3m n ALA 70 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.75 0.77 -0.09 0.00 0.00 -0.87 -4.38 120.51 115.21 2k3m n ALA 71 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2k3m n ALA 71 Cb 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.28 -0.07 -0.06 0.00 1.44 -1.10 0.26 115.22 115.41 2k3m n HIS 72 Ca 0.00 0.26 -0.13 0.00 -2.01 0.00 0.00 57.72 55.85 2k3m n HIS 72 Cb 0.00 -0.53 -0.06 0.00 0.12 0.00 0.00 29.99 29.52 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 0.39 -0.90 -1.40 2.86 -1.85 -3.22 114.93 110.81 2k3m h MET 73 Ca 0.04 -0.19 0.25 0.00 -2.06 0.00 0.00 59.70 57.74 2k3m h MET 73 Cb 0.09 -0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.61 2k3m h MET 73 CO -0.20 0.72 0.28 0.28 1.06 0.00 0.00 176.91 179.05 2k3m h VAL 74 N 0.06 0.30 0.00 -2.22 2.07 0.33 0.21 116.25 117.01 2k3m h VAL 74 Ca 0.04 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k3m h VAL 74 Cb 0.62 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2k3m h VAL 74 CO 0.03 0.04 0.55 -0.46 0.02 0.00 0.00 177.57 177.75 2k3m n ASN 75 N -5.21 0.00 -0.36 0.57 0.23 -0.77 -0.92 115.26 108.81 2k3m n ASN 75 Ca 0.23 0.06 0.37 0.00 -0.53 0.00 0.00 54.58 54.70 2k3m n ASN 75 Cb 0.73 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 39.05 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2k3m h GLY 76 N 0.00 0.00 0.59 4.83 0.00 -0.81 3.79 103.07 111.48 2k3m h GLY 76 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k3m h GLY 76 CO 0.00 0.00 -0.02 0.16 0.00 0.00 0.00 176.54 176.68 2k3m h ILE 77 N 0.00 1.35 -0.67 2.60 3.07 -1.30 -1.41 117.51 121.14 2k3m h ILE 77 Ca 0.62 -1.05 0.27 0.00 1.55 0.00 0.00 64.86 66.25 2k3m h ILE 77 Cb 2.98 2.00 -0.11 0.00 -0.27 0.00 0.00 36.82 41.42 2k3m h ILE 77 CO -0.01 0.28 0.38 0.55 -1.05 0.00 0.00 178.15 178.31 2k3m n VAL 78 N -4.84 -0.24 -0.03 0.16 3.14 1.25 0.39 118.33 118.17 2k3m n VAL 78 Ca -0.08 1.22 0.01 0.00 -2.96 0.00 0.00 64.34 62.54 2k3m n VAL 78 Cb 0.24 -1.99 -0.14 0.00 -1.06 0.00 0.00 33.84 30.89 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k3m n ILE 79 N -4.29 0.76 0.97 1.55 -6.64 -1.19 -4.24 119.36 106.28 2k3m n ILE 79 Ca 0.24 -0.67 0.13 0.00 -1.77 0.00 0.00 62.75 60.68 2k3m n ILE 79 Cb 0.84 -0.32 0.35 0.00 -1.44 0.00 0.00 39.64 39.07 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 -2.46 3.15 -0.12 -1.28 0.00 1.26 -2.58 120.51 118.48 2k3m n ALA 80 Ca -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2k3m n ALA 80 Cb 0.83 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2k3m n ALA 80 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k3m n GLU 81 N -1.55 0.00 0.05 0.00 2.13 1.03 -4.23 120.64 118.06 2k3m n GLU 81 Ca 0.06 0.27 0.09 0.00 0.66 0.00 0.00 57.16 58.24 2k3m n GLU 81 Cb 0.34 -0.75 0.38 0.00 0.27 0.00 0.00 31.44 31.69 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2k3m n ASP 82 N -2.03 0.24 0.00 4.31 9.92 -1.26 -3.99 116.55 123.73 2k3m n ASP 82 Ca 0.00 0.56 0.00 0.00 -0.53 0.00 0.00 54.79 54.82 2k3m n ASP 82 Cb 0.00 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k3m n ALA 83 N -1.60 0.00 -0.23 2.24 0.00 -1.06 -1.63 120.51 118.22 2k3m n ALA 83 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.65 2k3m n ALA 83 Cb 0.20 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.92 2k3m n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k3m n LEU 84 N -3.12 0.01 -0.09 0.00 4.77 -1.26 0.63 117.00 117.94 2k3m n LEU 84 Ca 0.00 0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 56.22 2k3m n LEU 84 Cb 0.00 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 2k3m n LEU 84 CO 0.00 -0.35 -1.09 0.00 -1.33 0.00 0.00 177.39 174.61 2k3m n ILE 85 N -2.71 1.44 -0.00 -0.08 3.06 -0.65 -4.46 119.36 115.96 2k3m n ILE 85 Ca 0.15 -0.81 -0.03 0.00 -2.50 0.00 0.00 62.75 59.55 2k3m n ILE 85 Cb 0.67 -0.67 -0.11 0.00 0.54 0.00 0.00 39.64 40.07 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2k3m n ALA 86 N -2.79 1.78 -0.26 1.51 0.00 2.81 -3.29 120.51 120.28 2k3m n ALA 86 Ca -0.32 -0.71 0.33 0.00 0.00 0.00 0.00 53.44 52.73 2k3m n ALA 86 Cb 1.12 -0.82 0.72 0.00 0.00 0.00 0.00 19.45 20.47 2k3m n ALA 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k3m h GLU 87 N 0.00 0.00 0.00 0.00 4.11 0.91 -1.56 114.58 118.04 2k3m h GLU 87 Ca -0.24 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.10 2k3m h GLU 87 Cb 1.77 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.84 2k3m h GLU 87 CO 0.05 0.00 -0.72 0.00 0.07 0.00 0.00 179.01 178.42 2k3m n ALA 88 N -2.63 2.24 0.03 1.06 0.00 -1.26 -4.89 120.51 115.06 2k3m n ALA 88 Ca 0.23 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2k3m n ALA 88 Cb 1.23 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2k3m n ALA 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2k3m n VAL 89 N 0.23 1.28 -0.20 0.00 3.14 -0.59 -4.23 118.33 117.97 2k3m n VAL 89 Ca 0.02 -0.25 -0.10 0.00 -2.96 0.00 0.00 64.34 61.05 2k3m n VAL 89 Cb 0.90 -1.21 0.02 0.00 -1.06 0.00 0.00 33.84 32.49 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2k3m h GLY 90 N 3.34 1.14 0.36 7.55 0.00 -1.90 -2.31 103.07 111.25 2k3m h GLY 90 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2k3m h GLY 90 CO 0.00 0.81 0.81 -2.55 0.00 0.00 0.00 176.54 175.61 2k3m h PRO 91 N 0.94 0.00 0.00 4.80 0.11 -2.01 1.69 132.00 137.54 2k3m h PRO 91 Ca 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 2k3m h PRO 91 Cb 0.63 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 2k3m h PRO 91 CO 0.04 0.00 -0.02 1.12 -0.21 0.00 0.00 178.00 178.93 2k3m h HIS 92 N 0.00 0.00 0.73 0.65 2.07 -1.76 0.75 115.15 117.59 2k3m h HIS 92 Ca 0.01 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.49 2k3m h HIS 92 Cb 1.64 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.62 2k3m h HIS 92 CO 0.00 0.02 -0.35 1.37 -3.07 0.00 0.00 177.93 175.90 2k3m h LEU 93 N 0.00 -0.83 0.30 6.12 8.10 0.23 2.33 115.31 131.56 2k3m h LEU 93 Ca -0.00 0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.00 2k3m h LEU 93 Cb 0.05 0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 40.46 2k3m h LEU 93 CO 0.00 -0.50 -0.32 0.00 -4.11 0.00 0.00 178.44 173.51 2k3m h ALA 94 N -1.03 -0.67 0.83 0.17 0.00 -1.55 -0.71 119.26 116.31 2k3m h ALA 94 Ca -0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2k3m h ALA 94 Cb 0.78 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k3m h ALA 94 CO 0.17 -0.91 -0.44 -0.09 0.00 0.00 0.00 179.25 177.97 2k3m h ARG 95 N -0.66 -1.13 0.00 0.00 2.43 -0.87 0.12 114.38 114.27 2k3m h ARG 95 Ca -0.01 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2k3m h ARG 95 Cb 0.61 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2k3m h ARG 95 CO -0.07 -0.75 0.39 0.00 -1.51 0.00 0.00 179.97 178.02 2k3m n ALA 96 N -2.64 0.39 0.00 2.80 0.00 0.79 -4.40 120.51 117.45 2k3m n ALA 96 Ca -0.14 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k3m n ALA 96 Cb 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2k3m n ALA 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k3m n LEU 97 N -1.58 0.00 0.04 0.00 -0.00 0.41 0.26 117.00 116.14 2k3m n LEU 97 Ca -0.00 0.00 0.20 0.00 -0.00 0.00 0.00 56.01 56.21 2k3m n LEU 97 Cb 0.39 0.00 0.58 0.00 -0.00 0.00 0.00 43.42 44.39 2k3m n LEU 97 CO 0.02 0.00 1.18 1.23 -0.00 0.00 0.00 177.39 179.82 2k3m h GLY 98 N 0.00 0.00 2.00 1.47 0.00 -1.85 8.72 103.07 113.41 2k3m h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k3m h GLY 98 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.00 2k3m h GLN 99 N 0.00 0.00 -0.37 4.80 1.08 0.32 0.96 115.11 121.89 2k3m h GLN 99 Ca 0.25 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.41 2k3m h GLN 99 Cb 1.76 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.17 2k3m h GLN 99 CO -0.00 0.00 0.09 0.97 -0.95 0.00 0.00 178.83 178.93 2k3m h ILE 100 N 0.00 1.23 0.91 2.54 2.10 1.86 -2.08 117.51 124.07 2k3m h ILE 100 Ca 0.00 -0.78 -0.04 0.00 1.08 0.00 0.00 64.86 65.12 2k3m h ILE 100 Cb 0.20 1.02 0.01 0.00 -1.09 0.00 0.00 36.82 36.96 2k3m h ILE 100 CO 0.00 0.27 -0.43 0.58 -1.08 0.00 0.00 178.15 177.48 2k3m h VAL 101 N 0.46 0.00 0.00 2.19 2.07 -0.81 0.96 116.25 121.11 2k3m h VAL 101 Ca 0.12 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2k3m h VAL 101 Cb 0.31 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2k3m h VAL 101 CO 0.00 0.00 0.75 0.00 0.02 0.00 0.00 177.57 178.34 2k3m n ARG 103 N -2.47 0.65 -0.57 0.00 0.63 -0.32 -3.15 116.66 111.44 2k3m n ARG 103 Ca -0.01 0.28 0.08 0.00 -0.92 0.00 0.00 57.85 57.29 2k3m n ARG 103 Cb 0.76 -1.61 0.30 0.00 0.45 0.00 0.00 32.46 32.37 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 -3.75 1.27 -0.79 -0.14 9.36 0.32 -4.62 117.16 118.80 2k3m n TYR 104 Ca -0.42 -0.80 0.00 0.00 3.32 0.00 0.00 57.90 60.00 2k3m n TYR 104 Cb 0.93 -0.35 0.00 0.00 -0.63 0.00 0.00 39.34 39.29 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 -0.05 0.79 1.81 2.98 0.00 2.87 -4.84 105.19 108.74 2k3m n GLY 105 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.57 0.09 4.61 0.00 -0.21 -4.76 120.51 119.67 2k3m n ALA 106 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2k3m n ALA 106 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 2.12 0.28 0.09 0.00 -1.04 -1.26 -4.75 114.28 109.73 2k3m n THR 107 Ca 0.17 0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 2k3m n THR 107 Cb -0.03 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 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 -3.25 0.08 -0.05 12.58 0.24 -1.26 -2.91 118.33 123.75 2k3m n VAL 108 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2k3m n VAL 108 Cb 0.00 -0.48 -0.05 0.00 -1.47 0.00 0.00 33.84 31.85 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 0.88 0.62 0.22 1.34 -5.35 -1.26 -4.56 119.36 111.25 2k3m n ILE 109 Ca 0.00 -0.21 0.07 0.00 -0.27 0.00 0.00 62.75 62.33 2k3m n ILE 109 Cb 0.04 -1.11 0.52 0.00 -1.74 0.00 0.00 39.64 37.36 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 -0.12 0.00 0.05 6.28 0.11 -1.87 -2.31 132.00 134.14 2k3m h PRO 110 Ca -0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 2k3m h PRO 110 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2k3m h PRO 110 CO -0.08 0.22 -0.02 -0.97 -0.21 0.00 0.00 178.00 176.93 2k3m h ASN 111 N 0.00 -0.06 -1.01 -2.05 -0.00 -1.84 -2.36 115.58 108.26 2k3m h ASN 111 Ca -0.00 0.00 0.29 0.00 -0.00 0.00 0.00 56.30 56.59 2k3m h ASN 111 Cb 0.42 0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 38.72 2k3m h ASN 111 CO 0.03 -0.02 0.83 0.16 -0.00 0.00 0.00 177.43 178.43 2k3m h ILE 112 N -0.11 0.32 0.08 2.57 3.07 -1.80 1.09 117.51 122.73 2k3m h ILE 112 Ca -0.01 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.42 2k3m h ILE 112 Cb 0.05 0.39 -0.02 0.00 -0.27 0.00 0.00 36.82 36.97 2k3m h ILE 112 CO 0.01 0.00 -0.17 -1.13 -1.05 0.00 0.00 178.15 175.81 2k3m h ASN 113 N 0.00 -0.47 -0.37 2.16 -0.73 -1.32 2.32 115.58 117.17 2k3m h ASN 113 Ca 0.48 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.68 2k3m h ASN 113 Cb 2.14 0.18 -0.02 0.00 0.27 0.00 0.00 38.32 40.89 2k3m h ASN 113 CO -0.01 -0.24 0.15 0.00 -0.37 0.00 0.00 177.43 176.97 2k3m h ALA 114 N 0.54 1.45 0.00 1.57 0.00 0.18 0.49 119.26 123.49 2k3m h ALA 114 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 114 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k3m h ALA 114 CO -0.10 0.41 -0.22 0.00 0.00 0.00 0.00 179.25 179.34 2k3m h ALA 115 N 1.55 0.03 -0.11 0.00 0.00 -1.09 -3.05 119.26 116.59 2k3m h ALA 115 Ca 0.15 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2k3m h ALA 115 Cb 0.16 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2k3m h ALA 115 CO -0.01 0.16 -0.50 0.82 0.00 0.00 0.00 179.25 179.72 2k3m h ILE 116 N -1.00 0.00 -0.82 0.00 2.04 0.38 2.38 117.51 120.50 2k3m h ILE 116 Ca -0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.96 2k3m h ILE 116 Cb 0.49 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.43 2k3m h ILE 116 CO -0.02 0.00 -0.34 -0.33 0.00 0.00 0.00 178.15 177.45 2k3m h GLU 117 N -0.55 -0.06 0.48 2.37 5.08 -0.97 2.66 114.58 123.59 2k3m h GLU 117 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2k3m h GLU 117 Cb 0.63 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2k3m h GLU 117 CO -0.39 -0.04 -0.23 0.28 -1.00 0.00 0.00 179.01 177.63 2k3m h VAL 118 N -0.07 0.53 0.00 3.13 2.07 -0.93 0.45 116.25 121.43 2k3m h VAL 118 Ca 0.31 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2k3m h VAL 118 Cb 0.58 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k3m h VAL 118 CO -0.85 0.01 0.00 -0.11 0.02 0.00 0.00 177.57 176.64 2k3m n LEU 119 N -5.35 0.00 0.00 2.57 7.94 0.79 -4.26 117.00 118.68 2k3m n LEU 119 Ca -0.12 0.92 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 2k3m n LEU 119 Cb 0.28 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.81 2k3m n LEU 119 CO 0.36 -0.42 0.08 0.61 -1.11 0.00 0.00 177.39 176.91 2k3m n GLY 120 N -0.94 -1.21 0.00 -3.96 0.00 0.84 -5.02 105.19 94.89 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 -0.23 0.00 0.00 2.61 5.66 0.16 -4.93 114.28 117.54 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 3.01 3.47 1.09 0.00 -1.26 -4.74 105.19 106.76 2k3m n GLY 122 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2k3m n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 123 N -1.90 0.00 -3.64 2.61 -1.04 -1.26 -4.69 114.28 104.36 2k3m n THR 123 Ca 0.00 -0.40 -0.09 0.00 -2.04 0.00 0.00 64.05 61.51 2k3m n THR 123 Cb 0.00 -1.16 -0.02 0.00 -1.82 0.00 0.00 70.33 67.33 2k3m n THR 123 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2k3m s ASP 124 N 5.91 -0.41 -0.06 8.00 1.11 -1.26 -4.80 116.67 125.17 2k3m s ASP 124 Ca 0.89 -0.31 -0.16 0.00 0.18 0.00 0.00 52.55 53.15 2k3m s ASP 124 Cb -0.30 0.66 0.03 0.00 1.07 0.00 0.00 42.92 44.38 2k3m s ASP 124 CO 0.23 -1.15 0.38 -0.47 1.18 0.00 0.00 175.17 175.34 2k3m s TYR 125 N -3.81 -0.31 -0.00 4.23 6.14 -1.26 -5.06 117.35 117.28 2k3m s TYR 125 Ca 0.06 0.60 -0.12 0.00 0.64 0.00 0.00 57.07 58.25 2k3m s TYR 125 Cb -0.03 0.15 0.02 0.00 0.42 0.00 0.00 41.96 42.51 2k3m s TYR 125 CO -0.03 -0.36 0.25 0.50 0.64 0.00 0.00 175.55 176.55 2k3m s ARG 126 N -0.85 0.63 0.00 4.97 6.06 -1.26 -4.72 118.95 123.77 2k3m s ARG 126 Ca -0.09 -0.30 0.00 0.00 -2.50 0.00 0.00 55.73 52.84 2k3m s ARG 126 Cb -0.04 0.27 0.00 0.00 0.06 0.00 0.00 34.95 35.24 2k3m s ARG 126 CO 0.04 -0.17 0.00 0.34 -2.50 0.00 0.00 175.30 173.01