#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3m n SER 2 N 0.00 3.00 0.00 7.83 7.64 -1.26 -4.86 113.62 125.97 2k3m n SER 2 Ca 0.00 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 57.97 2k3m n SER 2 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2k3m n SER 2 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k3m n ASP 3 N 0.84 0.00 -3.73 6.43 5.68 -1.26 -5.18 116.55 119.33 2k3m n ASP 3 Ca 0.14 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.29 2k3m n ASP 3 Cb 0.46 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.35 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2k3m s PHE 4 N 0.00 -0.32 -0.01 2.11 5.36 -1.26 -5.17 117.98 118.69 2k3m s PHE 4 Ca 0.00 0.67 -0.23 0.00 -0.96 0.00 0.00 56.93 56.41 2k3m s PHE 4 Cb 0.00 0.14 0.05 0.00 -0.34 0.00 0.00 43.02 42.87 2k3m s PHE 4 CO 0.00 -0.32 0.51 0.16 -1.46 0.00 0.00 175.22 174.11 2k3m s ASP 5 N -0.64 -0.44 1.09 6.13 1.47 -1.26 -5.07 116.67 117.95 2k3m s ASP 5 Ca -0.07 0.33 -0.13 0.00 1.18 0.00 0.00 52.55 53.86 2k3m s ASP 5 Cb -0.04 0.45 0.24 0.00 -0.34 0.00 0.00 42.92 43.24 2k3m s ASP 5 CO 0.03 -0.60 1.06 -0.89 0.68 0.00 0.00 175.17 175.45 2k3m s THR 6 N -1.68 2.05 0.07 2.11 2.01 -1.26 -4.42 115.64 114.52 2k3m s THR 6 Ca -0.10 0.02 -0.35 0.00 0.31 0.00 0.00 61.69 61.57 2k3m s THR 6 Cb -0.02 -2.25 -0.19 0.00 0.01 0.00 0.00 72.50 70.05 2k3m s THR 6 CO 0.04 -0.02 1.60 -0.08 -0.69 0.00 0.00 174.62 175.47 2k3m h GLU 7 N -2.32 -1.03 -0.11 4.92 4.22 -2.02 3.45 114.58 121.70 2k3m h GLU 7 Ca -0.58 0.07 0.04 0.00 0.08 0.00 0.00 59.36 58.97 2k3m h GLU 7 Cb 1.33 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.75 2k3m h GLU 7 CO 0.53 -0.68 -0.38 0.07 -2.18 0.00 0.00 179.01 176.37 2k3m h ARG 8 N -1.07 -0.45 -0.19 1.92 0.11 -1.97 2.27 114.38 115.01 2k3m h ARG 8 Ca -0.10 0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 2k3m h ARG 8 Cb 0.83 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 2k3m h ARG 8 CO 0.15 -0.30 0.06 -0.39 0.10 0.00 0.00 179.97 179.58 2k3m h VAL 9 N -0.47 1.19 0.57 0.08 -1.51 -1.90 0.92 116.25 115.14 2k3m h VAL 9 Ca 0.08 -0.60 -0.03 0.00 -1.23 0.00 0.00 66.70 64.92 2k3m h VAL 9 Cb 0.60 1.23 0.01 0.00 -2.13 0.00 0.00 31.29 30.99 2k3m h VAL 9 CO -0.37 0.19 -0.28 -1.28 -1.23 0.00 0.00 177.57 174.60 2k3m h SER 10 N 0.13 -0.65 0.39 4.19 0.87 0.72 -1.04 113.55 118.16 2k3m h SER 10 Ca 0.06 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2k3m h SER 10 Cb 0.24 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2k3m h SER 10 CO -0.00 -0.40 -0.25 -0.09 -0.53 0.00 0.00 176.83 175.56 2k3m h ARG 11 N -0.90 -0.59 -0.78 2.24 2.43 0.37 0.96 114.38 118.10 2k3m h ARG 11 Ca -0.08 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.32 2k3m h ARG 11 Cb 0.59 0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 30.14 2k3m h ARG 11 CO 0.13 -0.40 0.07 0.00 -1.51 0.00 0.00 179.97 178.26 2k3m h ALA 12 N -0.05 0.90 0.19 2.80 0.00 -0.79 2.28 119.26 124.60 2k3m h ALA 12 Ca -0.04 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2k3m h ALA 12 Cb 0.51 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2k3m h ALA 12 CO 0.04 -0.42 -0.09 0.28 0.00 0.00 0.00 179.25 179.05 2k3m h VAL 13 N 0.14 0.84 0.47 0.00 2.07 -0.44 1.01 116.25 120.35 2k3m h VAL 13 Ca 0.44 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 2k3m h VAL 13 Cb 0.80 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2k3m h VAL 13 CO -0.65 0.03 -0.32 0.00 0.02 0.00 0.00 177.57 176.65 2k3m h ALA 14 N 0.47 -1.11 0.13 1.67 0.00 0.96 2.37 119.26 123.75 2k3m h ALA 14 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 14 Cb 0.25 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2k3m h ALA 14 CO 0.04 -1.09 -0.36 0.00 0.00 0.00 0.00 179.25 177.84 2k3m h ALA 15 N -1.38 -0.62 0.44 0.00 0.00 0.32 1.90 119.26 119.91 2k3m h ALA 15 Ca -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 15 Cb 0.61 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k3m h ALA 15 CO 0.04 -0.91 -0.21 0.00 0.00 0.00 0.00 179.25 178.17 2k3m h ALA 16 N -0.01 -0.59 0.09 0.00 0.00 0.11 2.75 119.26 121.62 2k3m h ALA 16 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 16 Cb 0.62 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2k3m h ALA 16 CO -0.20 -0.71 -0.13 1.25 0.00 0.00 0.00 179.25 179.46 2k3m h LEU 17 N -0.82 -0.35 0.43 0.00 7.12 0.42 1.02 115.31 123.13 2k3m h LEU 17 Ca -0.06 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 2k3m h LEU 17 Cb 0.55 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 2k3m h LEU 17 CO 0.10 -0.19 -0.21 -0.37 -0.13 0.00 0.00 178.44 177.64 2k3m h VAL 18 N -0.26 0.36 -1.45 1.05 -1.51 0.30 -3.37 116.25 111.38 2k3m h VAL 18 Ca 0.02 -0.57 -0.07 0.00 -1.23 0.00 0.00 66.70 64.85 2k3m h VAL 18 Cb 0.27 0.55 0.04 0.00 -2.13 0.00 0.00 31.29 30.02 2k3m h VAL 18 CO -0.06 0.07 -0.02 0.61 -1.23 0.00 0.00 177.57 176.93 2k3m n GLY 19 N -0.16 -3.53 0.13 5.19 0.00 0.92 -4.89 105.19 102.86 2k3m n GLY 19 Ca -0.09 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.65 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 0.79 1.61 0.14 -1.76 -3.32 132.00 129.46 2k3m h PRO 20 Ca -0.07 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 66.03 2k3m h PRO 20 Cb 0.25 0.00 0.01 0.00 0.14 0.00 0.00 31.00 31.39 2k3m h PRO 20 CO 0.05 0.57 -0.40 0.78 0.14 0.00 0.00 178.00 179.14 2k3m h GLY 21 N 3.07 -1.14 0.79 1.56 0.00 -1.82 3.36 103.07 108.90 2k3m h GLY 21 Ca -0.01 0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.77 2k3m h GLY 21 CO 0.07 -0.41 -0.13 -1.33 0.00 0.00 0.00 176.54 174.75 2k3m h GLY 22 N -1.08 -0.23 1.55 4.60 0.00 0.91 1.00 103.07 109.81 2k3m h GLY 22 Ca -0.11 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.40 2k3m h GLY 22 CO 0.16 -0.13 0.23 -2.08 0.00 0.00 0.00 176.54 174.73 2k3m h VAL 23 N -0.26 1.01 0.76 4.60 2.07 -1.32 -0.48 116.25 122.63 2k3m h VAL 23 Ca 0.02 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2k3m h VAL 23 Cb 0.27 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2k3m h VAL 23 CO -0.06 0.06 -0.43 0.00 0.02 0.00 0.00 177.57 177.16 2k3m h ALA 24 N 1.80 -1.26 -0.42 1.67 0.00 0.88 -0.77 119.26 121.16 2k3m h ALA 24 Ca 0.14 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 24 Cb 0.15 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k3m h ALA 24 CO -0.03 -1.21 0.08 1.37 0.00 0.00 0.00 179.25 179.46 2k3m h LEU 25 N -1.11 0.67 0.93 0.00 8.10 -0.98 -1.09 115.31 121.83 2k3m h LEU 25 Ca -0.10 -0.25 -0.05 0.00 0.11 0.00 0.00 57.88 57.59 2k3m h LEU 25 Cb 0.87 -0.18 0.01 0.00 -0.44 0.00 0.00 40.66 40.93 2k3m h LEU 25 CO 0.12 0.75 -0.45 0.58 -4.11 0.00 0.00 178.44 175.34 2k3m h VAL 26 N 0.56 0.02 -0.64 0.15 2.07 -1.10 0.89 116.25 118.20 2k3m h VAL 26 Ca 0.13 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2k3m h VAL 26 Cb 0.36 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 2k3m h VAL 26 CO 0.01 0.00 0.42 1.62 0.02 0.00 0.00 177.57 179.64 2k3m h VAL 27 N -1.32 1.05 0.33 2.57 3.04 -1.20 0.43 116.25 121.15 2k3m h VAL 27 Ca -0.13 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 65.30 2k3m h VAL 27 Cb 0.96 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2k3m h VAL 27 CO 0.21 0.13 -0.16 0.50 -1.01 0.00 0.00 177.57 177.24 2k3m h LYS 28 N 0.71 -0.43 -0.13 4.17 3.64 -1.07 0.19 116.57 123.65 2k3m h LYS 28 Ca 0.26 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2k3m h LYS 28 Cb 0.15 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2k3m h LYS 28 CO -0.08 -0.11 0.03 0.28 -2.27 0.00 0.00 179.45 177.31 2k3m h VAL 29 N -0.81 1.19 0.67 2.00 2.07 -0.53 0.89 116.25 121.73 2k3m h VAL 29 Ca -0.05 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2k3m h VAL 29 Cb 0.52 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2k3m h VAL 29 CO 0.07 0.18 -0.32 0.00 0.02 0.00 0.00 177.57 177.52 2k3m h ALA 31 N -1.37 -0.22 -2.78 0.00 0.00 -1.01 -3.49 119.26 110.39 2k3m h ALA 31 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k3m h ALA 31 Cb 0.69 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 31 CO 0.15 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2k3m n GLY 32 N -0.85 -0.28 0.82 0.00 0.00 0.31 -4.85 105.19 100.34 2k3m n GLY 32 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.85 -1.09 -0.23 0.99 4.77 -1.24 -4.95 117.00 114.39 2k3m n LEU 33 Ca 0.00 0.00 0.26 0.00 -0.03 0.00 0.00 56.01 56.24 2k3m n LEU 33 Cb 0.39 -0.55 0.64 0.00 -2.33 0.00 0.00 43.42 41.57 2k3m n LEU 33 CO 0.00 0.00 1.25 -0.65 -1.33 0.00 0.00 177.39 176.66 2k3m h PRO 34 N 0.00 0.15 0.62 3.23 0.11 -1.87 -2.59 132.00 131.65 2k3m h PRO 34 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2k3m h PRO 34 Cb 0.36 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 2k3m h PRO 34 CO 0.00 0.10 -0.38 0.78 -0.21 0.00 0.00 178.00 178.30 2k3m h GLY 35 N 0.16 -1.01 -1.95 -0.55 0.00 -1.99 -3.42 103.07 94.30 2k3m h GLY 35 Ca 0.47 0.42 -0.45 0.00 0.00 0.00 0.00 47.33 47.77 2k3m h GLY 35 CO -0.09 -0.36 -0.03 0.54 0.00 0.00 0.00 176.54 176.60 2k3m s VAL 36 N -6.01 3.24 0.00 4.60 0.11 -0.98 -5.02 120.40 116.35 2k3m s VAL 36 Ca -0.18 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2k3m s VAL 36 Cb 0.04 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 2k3m s VAL 36 CO 0.62 -0.16 0.00 -0.38 -3.33 0.00 0.00 175.10 171.85 2k3m n ILE 37 N -2.28 0.00 -3.78 7.04 5.41 -1.26 -4.77 119.36 119.72 2k3m n ILE 37 Ca 0.05 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.66 2k3m n ILE 37 Cb 0.59 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.37 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 0.00 -0.06 -0.21 1.39 3.76 -1.26 -5.07 115.29 113.85 2k3m s HIS 38 Ca 0.00 0.26 -0.17 0.00 -0.15 0.00 0.00 55.06 55.00 2k3m s HIS 38 Cb 0.00 -0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.53 2k3m s HIS 38 CO 0.00 -0.10 0.45 0.95 -0.85 0.00 0.00 174.74 175.19 2k3m s THR 39 N 0.86 5.16 0.36 1.30 -4.23 -1.26 -4.97 115.64 112.86 2k3m s THR 39 Ca -0.07 0.80 0.13 0.00 -1.18 0.00 0.00 61.69 61.38 2k3m s THR 39 Cb -0.10 -3.77 0.35 0.00 1.34 0.00 0.00 72.50 70.32 2k3m s THR 39 CO -0.03 0.21 1.79 -0.65 -0.54 0.00 0.00 174.62 175.39 2k3m h PRO 40 N 7.46 0.52 -4.58 3.99 0.11 -2.08 -3.35 132.00 134.08 2k3m h PRO 40 Ca -0.35 -0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.08 2k3m h PRO 40 Cb 1.16 -0.12 -0.40 0.00 0.11 0.00 0.00 31.00 31.75 2k3m h PRO 40 CO 0.72 0.34 -0.73 0.00 -0.21 0.00 0.00 178.00 178.12 2k3m s ALA 41 N -5.62 2.69 0.06 -0.75 0.00 -1.26 -5.10 121.76 111.77 2k3m s ALA 41 Ca -0.10 -2.32 0.02 0.00 0.00 0.00 0.00 51.96 49.56 2k3m s ALA 41 Cb 0.25 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 2k3m s ALA 41 CO 0.80 -1.62 -0.08 -0.98 0.00 0.00 0.00 175.76 173.88 2k3m s ARG 42 N 1.02 0.62 0.00 0.00 1.70 -1.26 -4.99 118.95 116.04 2k3m s ARG 42 Ca 0.08 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.41 2k3m s ARG 42 Cb -0.19 -0.28 0.00 0.00 -0.57 0.00 0.00 34.95 33.91 2k3m s ARG 42 CO -0.09 0.03 0.06 -2.13 -1.08 0.00 0.00 175.30 172.08 2k3m n ARG 43 N 1.03 0.06 0.00 3.89 0.63 -1.26 -4.55 116.66 116.45 2k3m n ARG 43 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 2k3m n ARG 43 Cb 0.56 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 32.05 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k3m n GLY 44 N 0.92 2.09 3.74 5.14 0.00 -1.26 -4.81 105.19 111.02 2k3m n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3m n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k3m s PHE 45 N -0.28 -0.04 0.00 1.61 -0.12 -1.26 -5.15 117.98 112.75 2k3m s PHE 45 Ca 0.00 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 2k3m s PHE 45 Cb 0.00 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 42.98 2k3m s PHE 45 CO 0.00 -0.48 0.00 1.19 -0.05 0.00 0.00 175.22 175.88 2k3m n PHE 46 N -0.58 0.00 0.00 3.49 3.01 -1.26 -5.09 117.46 117.03 2k3m n PHE 46 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 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 2.89 1.01 0.00 0.00 176.76 180.66 2k3m n ARG 47 N 0.00 0.00 -2.34 -1.08 1.85 -1.26 -5.07 116.66 108.76 2k3m n ARG 47 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k3m s ASN 49 N -2.51 -0.27 -0.16 0.00 2.20 -1.26 -5.05 114.94 107.89 2k3m s ASN 49 Ca 0.01 0.52 -0.22 0.00 -0.94 0.00 0.00 52.86 52.23 2k3m s ASN 49 Cb -0.00 0.52 -0.26 0.00 -2.00 0.00 0.00 41.25 39.51 2k3m s ASN 49 CO 0.41 -0.10 1.40 -2.65 -2.94 0.00 0.00 177.10 173.22 2k3m n PRO 50 N 3.09 0.01 -0.63 3.55 -0.02 -1.26 -3.50 135.00 136.25 2k3m n PRO 50 Ca -0.14 -0.84 0.00 0.00 -2.02 0.00 0.00 63.50 60.50 2k3m n PRO 50 Cb 0.58 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3m n GLU 51 N 6.86 -0.90 -3.03 -0.52 4.71 -1.26 -4.90 120.64 121.60 2k3m n GLU 51 Ca 0.33 0.19 -0.38 0.00 -0.01 0.00 0.00 57.16 57.29 2k3m n GLU 51 Cb 0.40 -4.30 -0.06 0.00 -1.01 0.00 0.00 31.44 26.46 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2k3m s ARG 52 N -1.25 4.46 0.50 3.49 0.52 -1.23 -5.02 118.95 120.43 2k3m s ARG 52 Ca 0.00 1.05 -0.22 0.00 -0.52 0.00 0.00 55.73 56.04 2k3m s ARG 52 Cb 0.00 -3.16 -0.06 0.00 0.52 0.00 0.00 34.95 32.25 2k3m s ARG 52 CO 0.00 0.53 1.23 -1.50 0.02 0.00 0.00 175.30 175.58 2k3m s ILE 53 N -1.24 2.74 -1.22 1.52 2.07 -1.26 -4.70 121.20 119.11 2k3m s ILE 53 Ca 0.37 0.54 -0.21 0.00 -1.41 0.00 0.00 60.65 59.95 2k3m s ILE 53 Cb -0.21 -3.27 -0.01 0.00 0.13 0.00 0.00 42.46 39.10 2k3m s ILE 53 CO 0.24 -0.02 1.82 0.00 -1.91 0.00 0.00 174.94 175.07 2k3m s GLN 54 N -2.85 3.23 0.06 3.50 -2.07 -1.26 -4.89 119.66 115.39 2k3m s GLN 54 Ca 0.68 -1.51 -0.11 0.00 -1.82 0.00 0.00 55.36 52.59 2k3m s GLN 54 Cb -0.32 -5.38 0.01 0.00 -1.09 0.00 0.00 33.01 26.23 2k3m s GLN 54 CO 0.38 -3.09 0.25 0.96 -1.32 0.00 0.00 175.29 172.47 2k3m s ILE 55 N 7.59 0.11 0.00 3.63 -5.25 -1.26 -4.91 121.20 121.11 2k3m s ILE 55 Ca 0.61 -0.88 0.00 0.00 -0.99 0.00 0.00 60.65 59.39 2k3m s ILE 55 Cb 0.01 -1.07 0.00 0.00 2.95 0.00 0.00 42.46 44.35 2k3m s ILE 55 CO 0.09 -0.49 0.00 0.61 -1.79 0.00 0.00 174.94 173.37 2k3m n GLY 56 N 0.34 0.60 3.56 6.27 0.00 -1.26 -5.05 105.19 109.65 2k3m n GLY 56 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2k3m n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k3m s ASP 57 N -2.01 6.34 0.65 1.61 1.01 -1.26 -5.00 116.67 118.01 2k3m s ASP 57 Ca 0.00 -0.15 -0.02 0.00 0.71 0.00 0.00 52.55 53.09 2k3m s ASP 57 Cb 0.00 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.46 2k3m s ASP 57 CO 0.00 -1.57 0.92 0.26 0.21 0.00 0.00 175.17 175.00 2k3m s TRP 58 N 5.06 2.51 -0.09 4.23 0.52 -1.26 -5.07 118.94 124.85 2k3m s TRP 58 Ca 0.38 0.07 -0.03 0.00 0.02 0.00 0.00 56.10 56.55 2k3m s TRP 58 Cb -0.08 -3.00 -0.01 0.00 -1.15 0.00 0.00 33.47 29.22 2k3m s TRP 58 CO 0.21 -1.31 0.11 0.07 0.02 0.00 0.00 176.95 176.05 2k3m h ARG 59 N -0.34 -0.09 -0.00 4.98 0.11 -2.01 -3.38 114.38 113.64 2k3m h ARG 59 Ca -0.41 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.67 2k3m h ARG 59 Cb 1.29 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2k3m h ARG 59 CO 0.51 -0.06 -0.61 0.98 0.10 0.00 0.00 179.97 180.89 2k3m n TYR 60 N -4.79 0.00 0.57 4.08 4.19 -1.26 -4.07 117.16 115.87 2k3m n TYR 60 Ca -0.01 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.33 2k3m n TYR 60 Cb 0.04 -0.19 0.43 0.00 0.49 0.00 0.00 39.34 40.10 2k3m n TYR 60 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 2k3m n GLU 61 N -1.49 0.24 -0.10 2.98 2.13 -1.26 -4.05 120.64 119.09 2k3m n GLU 61 Ca 0.05 0.27 -0.09 0.00 0.66 0.00 0.00 57.16 58.05 2k3m n GLU 61 Cb 0.33 -1.82 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2k3m h VAL 62 N 0.00 0.17 0.20 6.31 -1.51 -1.74 1.30 116.25 120.97 2k3m h VAL 62 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2k3m h VAL 62 Cb 0.64 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 2k3m h VAL 62 CO 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 176.25 2k3m h ALA 63 N 0.52 -0.26 -0.22 5.19 0.00 -1.88 3.27 119.26 125.87 2k3m h ALA 63 Ca 0.14 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2k3m h ALA 63 Cb 0.57 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 2k3m h ALA 63 CO -0.53 -0.50 -0.44 0.45 0.00 0.00 0.00 179.25 178.23 2k3m h HIS 64 N -0.56 -1.27 -0.05 0.00 -0.00 -1.56 0.35 115.15 112.07 2k3m h HIS 64 Ca -0.03 0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 2k3m h HIS 64 Cb 0.42 0.59 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 2k3m h HIS 64 CO 0.02 -0.47 -0.15 0.22 -0.00 0.00 0.00 177.93 177.55 2k3m h ASP 65 N -0.45 0.21 0.00 2.45 3.58 0.17 -2.92 116.42 119.45 2k3m h ASP 65 Ca 0.09 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2k3m h ASP 65 Cb 0.62 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2k3m h ASP 65 CO -0.46 0.79 0.00 0.61 -2.88 0.00 0.00 179.24 177.30 2k3m n GLY 66 N 0.58 0.98 0.00 -0.78 0.00 1.09 -3.15 105.19 103.91 2k3m n GLY 66 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 0.56 0.66 -0.45 1.61 1.74 0.12 -4.02 116.66 116.87 2k3m n ARG 67 Ca 0.00 0.00 0.34 0.00 -0.77 0.00 0.00 57.85 57.42 2k3m n ARG 67 Cb 0.22 -1.31 0.53 0.00 -1.02 0.00 0.00 32.46 30.88 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k3m n LEU 68 N -0.81 0.00 0.32 0.55 -0.00 -1.19 0.30 117.00 116.18 2k3m n LEU 68 Ca 0.10 0.65 -0.13 0.00 -0.00 0.00 0.00 56.01 56.63 2k3m n LEU 68 Cb 0.04 -0.32 -0.06 0.00 -0.00 0.00 0.00 43.42 43.09 2k3m n LEU 68 CO 0.07 -0.65 0.48 -0.07 -0.00 0.00 0.00 177.39 177.22 2k3m h LEU 69 N 0.00 -0.70 0.00 1.47 3.38 -1.92 -0.71 115.31 116.83 2k3m h LEU 69 Ca 0.61 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.60 2k3m h LEU 69 Cb 2.48 0.18 0.00 0.00 0.09 0.00 0.00 40.66 43.41 2k3m h LEU 69 CO -0.01 -0.47 0.00 0.00 0.09 0.00 0.00 178.44 178.06 2k3m n ALA 70 N -2.46 -0.01 0.00 1.53 0.00 0.88 -3.81 120.51 116.64 2k3m n ALA 70 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k3m n ALA 70 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.21 0.31 -0.04 0.00 0.00 0.22 -4.16 120.51 115.63 2k3m n ALA 71 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 71 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.04 -0.03 0.00 -0.00 -0.27 0.68 115.22 115.14 2k3m n HIS 72 Ca 0.00 0.11 -0.13 0.00 0.46 0.00 0.00 57.72 58.16 2k3m n HIS 72 Cb 0.00 -0.28 -0.09 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 0.46 0.00 0.00 176.34 176.80 2k3m h MET 73 N 0.00 0.14 -0.99 1.57 -0.00 -1.84 -3.21 114.93 110.59 2k3m h MET 73 Ca 0.01 -0.07 0.33 0.00 -0.00 0.00 0.00 59.70 59.98 2k3m h MET 73 Cb 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 31.48 2k3m h MET 73 CO -0.09 0.57 0.52 0.28 -0.00 0.00 0.00 176.91 178.20 2k3m h VAL 74 N -0.30 0.23 0.00 -0.10 2.07 -0.32 -0.98 116.25 116.85 2k3m h VAL 74 Ca 0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2k3m h VAL 74 Cb 0.55 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2k3m h VAL 74 CO 0.01 0.04 0.48 0.59 0.02 0.00 0.00 177.57 178.72 2k3m n ASN 75 N -5.12 0.00 0.22 0.57 4.13 0.21 -0.45 115.26 114.83 2k3m n ASN 75 Ca 0.32 0.10 0.12 0.00 1.68 0.00 0.00 54.58 56.79 2k3m n ASN 75 Cb 1.02 0.00 0.41 0.00 -1.54 0.00 0.00 39.78 39.67 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 0.40 7.41 0.00 -1.43 1.22 103.07 110.67 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 -0.11 0.16 0.00 0.00 0.00 176.54 176.59 2k3m h ILE 77 N 0.00 0.61 -1.04 2.60 3.07 -1.05 0.82 117.51 122.53 2k3m h ILE 77 Ca 0.10 -0.94 0.34 0.00 1.55 0.00 0.00 64.86 65.91 2k3m h ILE 77 Cb 1.61 1.01 -0.09 0.00 -0.27 0.00 0.00 36.82 39.08 2k3m h ILE 77 CO -0.00 0.15 0.68 0.52 -1.05 0.00 0.00 178.15 178.45 2k3m n VAL 78 N -5.00 -0.14 -0.09 0.16 0.31 0.42 0.27 118.33 114.26 2k3m n VAL 78 Ca -0.08 1.22 -0.13 0.00 -0.01 0.00 0.00 64.34 65.34 2k3m n VAL 78 Cb 0.25 -2.00 -0.15 0.00 -0.91 0.00 0.00 33.84 31.03 2k3m n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k3m n ILE 79 N -3.94 1.46 0.94 2.52 0.00 -1.16 -4.32 119.36 114.87 2k3m n ILE 79 Ca 0.29 -0.76 0.13 0.00 0.00 0.00 0.00 62.75 62.40 2k3m n ILE 79 Cb 1.15 -0.86 0.44 0.00 0.00 0.00 0.00 39.64 40.37 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k3m n ALA 80 N -2.88 2.81 -0.39 1.51 0.00 0.77 -3.17 120.51 119.16 2k3m n ALA 80 Ca -0.35 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2k3m n ALA 80 Cb 1.10 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.60 0.00 0.06 0.00 4.07 0.78 -4.74 120.64 119.21 2k3m n GLU 81 Ca 0.06 0.16 0.11 0.00 -0.06 0.00 0.00 57.16 57.44 2k3m n GLU 81 Cb 0.35 -0.57 0.04 0.00 -0.06 0.00 0.00 31.44 31.20 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2k3m n ASP 82 N -1.74 0.67 -0.31 4.31 8.00 -1.26 -4.34 116.55 121.87 2k3m n ASP 82 Ca 0.00 0.06 0.12 0.00 0.71 0.00 0.00 54.79 55.68 2k3m n ASP 82 Cb 0.00 0.61 0.29 0.00 -0.02 0.00 0.00 41.12 42.00 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3m h ALA 83 N 2.32 1.44 -1.47 2.24 0.00 -1.74 0.11 119.26 122.16 2k3m h ALA 83 Ca 0.00 0.13 0.49 0.00 0.00 0.00 0.00 54.91 55.53 2k3m h ALA 83 Cb 0.84 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 2k3m h ALA 83 CO 0.00 -0.23 0.97 1.25 0.00 0.00 0.00 179.25 181.24 2k3m h LEU 84 N 0.52 0.17 -0.39 0.00 7.12 -1.76 4.43 115.31 125.40 2k3m h LEU 84 Ca 0.54 0.13 -0.18 0.00 0.13 0.00 0.00 57.88 58.50 2k3m h LEU 84 Cb 0.93 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.19 2k3m h LEU 84 CO -0.46 -0.21 -0.78 0.16 -0.13 0.00 0.00 178.44 177.02 2k3m h ILE 85 N 0.01 1.43 0.00 4.05 -0.00 -1.08 -3.30 117.51 118.62 2k3m h ILE 85 Ca 0.89 -2.32 -0.22 0.00 -0.00 0.00 0.00 64.86 63.21 2k3m h ILE 85 Cb 2.96 2.26 -0.04 0.00 -0.00 0.00 0.00 36.82 42.00 2k3m h ILE 85 CO -0.39 0.69 -1.94 0.00 -0.00 0.00 0.00 178.15 176.50 2k3m n ALA 86 N -2.48 1.94 0.33 0.16 0.00 0.91 -4.18 120.51 117.19 2k3m n ALA 86 Ca -0.04 -0.86 0.20 0.00 0.00 0.00 0.00 53.44 52.74 2k3m n ALA 86 Cb 0.74 -0.60 1.09 0.00 0.00 0.00 0.00 19.45 20.68 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 4.81 0.72 1.44 114.58 121.54 2k3m h GLU 87 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2k3m h GLU 87 Cb 1.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.12 2k3m h GLU 87 CO 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.31 2k3m n ALA 88 N -2.03 2.15 -1.19 2.92 0.00 -1.25 -1.41 120.51 119.69 2k3m n ALA 88 Ca -0.03 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 2k3m n ALA 88 Cb 0.17 -1.31 0.11 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.08 3.33 0.15 0.00 0.31 0.49 -4.61 118.33 116.92 2k3m n VAL 89 Ca 0.13 -2.37 0.18 0.00 -0.01 0.00 0.00 64.34 62.27 2k3m n VAL 89 Cb 0.09 -0.92 0.77 0.00 -0.91 0.00 0.00 33.84 32.87 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 1.73 0.00 0.00 2.92 0.00 -1.42 -3.01 103.07 103.30 2k3m h GLY 90 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2k3m h GLY 90 CO 1.30 0.00 0.00 -1.05 0.00 0.00 0.00 176.54 176.79 2k3m n PRO 91 N -3.97 0.00 -0.21 4.80 -0.01 -1.26 -2.86 135.00 131.49 2k3m n PRO 91 Ca 0.04 0.00 0.31 0.00 -0.01 0.00 0.00 63.50 63.84 2k3m n PRO 91 Cb 0.42 -1.11 0.70 0.00 -0.01 0.00 0.00 33.50 33.49 2k3m n PRO 91 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 175.50 176.61 2k3m h HIS 92 N 0.00 0.00 0.16 6.00 2.07 -1.95 2.18 115.15 123.61 2k3m h HIS 92 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2k3m h HIS 92 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2k3m h HIS 92 CO 0.00 0.00 -0.14 1.37 -3.07 0.00 0.00 177.93 176.09 2k3m h LEU 93 N 0.00 -0.36 -0.41 6.12 8.10 -1.87 3.75 115.31 130.64 2k3m h LEU 93 Ca 0.47 0.03 0.09 0.00 0.11 0.00 0.00 57.88 58.58 2k3m h LEU 93 Cb 2.15 0.12 -0.09 0.00 -0.44 0.00 0.00 40.66 42.41 2k3m h LEU 93 CO -0.00 -0.21 -0.21 0.00 -4.11 0.00 0.00 178.44 173.90 2k3m h ALA 94 N 0.51 0.07 -0.11 0.17 0.00 0.33 0.98 119.26 121.22 2k3m h ALA 94 Ca -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2k3m h ALA 94 Cb 0.29 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 94 CO -0.02 -0.58 -0.16 0.00 0.00 0.00 0.00 179.25 178.49 2k3m h ARG 95 N -0.14 0.17 -0.78 0.00 -0.00 -0.64 -2.50 114.38 110.48 2k3m h ARG 95 Ca 0.20 -0.04 0.15 0.00 -0.50 0.00 0.00 59.98 59.79 2k3m h ARG 95 Cb 0.44 -0.02 -0.10 0.00 0.00 0.00 0.00 29.97 30.29 2k3m h ARG 95 CO -0.49 0.33 0.31 0.00 0.00 0.00 0.00 179.97 180.12 2k3m h ALA 96 N 1.68 1.11 -0.73 0.04 0.00 1.51 0.86 119.26 123.73 2k3m h ALA 96 Ca 0.03 0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.28 2k3m h ALA 96 Cb 0.38 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2k3m h ALA 96 CO 0.02 -0.23 0.91 -0.11 0.00 0.00 0.00 179.25 179.85 2k3m n LEU 97 N -5.01 0.00 -0.10 0.00 0.00 -0.41 0.69 117.00 112.17 2k3m n LEU 97 Ca 0.15 0.56 -0.18 0.00 0.00 0.00 0.00 56.01 56.54 2k3m n LEU 97 Cb 0.45 -0.18 -0.10 0.00 0.00 0.00 0.00 43.42 43.59 2k3m n LEU 97 CO 0.17 -0.56 -0.44 1.23 0.00 0.00 0.00 177.39 177.79 2k3m h GLY 98 N 0.00 0.00 0.16 -3.96 0.00 0.56 -3.30 103.07 96.52 2k3m h GLY 98 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2k3m h GLY 98 CO -0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2k3m n GLN 99 N -4.48 0.84 0.17 4.80 6.02 0.94 -3.11 117.38 122.56 2k3m n GLN 99 Ca -0.26 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.58 2k3m n GLN 99 Cb 0.59 -1.08 -0.07 0.00 1.02 0.00 0.00 30.24 30.70 2k3m n GLN 99 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 2k3m h ILE 100 N 0.00 0.68 0.65 5.09 2.10 2.25 0.96 117.51 129.24 2k3m h ILE 100 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 2k3m h ILE 100 Cb 0.00 0.68 -0.01 0.00 -1.09 0.00 0.00 36.82 36.40 2k3m h ILE 100 CO 0.00 0.00 -0.45 1.62 -1.08 0.00 0.00 178.15 178.24 2k3m h VAL 101 N -0.39 0.00 -0.47 2.19 3.04 -1.76 1.61 116.25 120.46 2k3m h VAL 101 Ca -0.03 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 65.80 2k3m h VAL 101 Cb 0.32 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.58 2k3m h VAL 101 CO 0.03 0.00 0.57 0.00 -1.01 0.00 0.00 177.57 177.17 2k3m h ARG 103 N 0.00 0.04 -0.78 0.00 2.43 0.23 -3.15 114.38 113.15 2k3m h ARG 103 Ca 0.22 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 2k3m h ARG 103 Cb 1.37 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.85 2k3m h ARG 103 CO -0.00 1.03 0.20 0.98 -1.51 0.00 0.00 179.97 180.67 2k3m n TYR 104 N -4.41 2.02 0.00 2.20 9.36 0.54 -4.79 117.16 122.07 2k3m n TYR 104 Ca -0.23 -0.96 0.00 0.00 3.32 0.00 0.00 57.90 60.02 2k3m n TYR 104 Cb 0.65 -0.58 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 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 0.02 -0.90 2.41 2.98 0.00 0.99 -4.87 105.19 105.82 2k3m n GLY 105 Ca 0.32 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.84 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 -1.78 -0.01 4.61 0.00 -0.94 -4.90 120.51 114.49 2k3m n ALA 106 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 2k3m n ALA 106 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.09 2k3m n ALA 106 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2k3m h THR 107 N -0.24 0.22 -0.60 0.00 2.02 -1.90 -3.32 112.91 109.09 2k3m h THR 107 Ca -0.20 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 65.95 2k3m h THR 107 Cb 1.10 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2k3m h THR 107 CO 0.21 0.07 0.36 1.62 0.37 0.00 0.00 175.52 178.15 2k3m h VAL 108 N -1.02 1.07 -0.74 3.16 3.04 -2.00 -2.93 116.25 116.83 2k3m h VAL 108 Ca -0.01 -0.25 0.07 0.00 -1.01 0.00 0.00 66.70 65.50 2k3m h VAL 108 Cb 0.20 0.29 -0.10 0.00 -2.01 0.00 0.00 31.29 29.67 2k3m h VAL 108 CO 0.02 0.13 -0.50 0.40 -1.01 0.00 0.00 177.57 176.61 2k3m h ILE 109 N 0.72 0.00 -1.08 3.17 1.08 -1.98 0.68 117.51 120.10 2k3m h ILE 109 Ca 0.24 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 65.00 2k3m h ILE 109 Cb 0.02 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.67 2k3m h ILE 109 CO -0.10 0.00 0.68 -0.65 -0.69 0.00 0.00 178.15 177.39 2k3m h PRO 110 N -0.08 0.35 0.14 2.37 0.11 -1.61 -1.13 132.00 132.14 2k3m h PRO 110 Ca 0.12 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 2k3m h PRO 110 Cb 0.39 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2k3m h PRO 110 CO -0.74 0.23 -0.07 -0.97 -0.21 0.00 0.00 178.00 176.25 2k3m h ASN 111 N 0.36 -0.16 -0.48 -2.05 -1.24 0.37 -2.78 115.58 109.61 2k3m h ASN 111 Ca 0.64 0.01 0.14 0.00 0.71 0.00 0.00 56.30 57.80 2k3m h ASN 111 Cb 1.65 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 40.72 2k3m h ASN 111 CO -0.35 -0.07 0.65 0.16 -1.29 0.00 0.00 177.43 176.53 2k3m h ILE 112 N -0.27 0.20 0.36 2.57 3.07 -1.25 0.38 117.51 122.56 2k3m h ILE 112 Ca -0.02 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.37 2k3m h ILE 112 Cb 0.14 0.45 0.00 0.00 -0.27 0.00 0.00 36.82 37.15 2k3m h ILE 112 CO 0.03 0.00 -0.18 -1.13 -1.05 0.00 0.00 178.15 175.82 2k3m h ASN 113 N 0.00 -0.44 -0.48 2.16 -1.24 -1.03 0.91 115.58 115.46 2k3m h ASN 113 Ca 0.23 0.02 0.09 0.00 0.71 0.00 0.00 56.30 57.34 2k3m h ASN 113 Cb 1.53 0.12 -0.03 0.00 0.73 0.00 0.00 38.32 40.68 2k3m h ASN 113 CO -0.00 -0.31 0.33 0.00 -1.29 0.00 0.00 177.43 176.15 2k3m h ALA 114 N 0.14 2.08 0.05 1.57 0.00 0.03 0.36 119.26 123.49 2k3m h ALA 114 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2k3m h ALA 114 Cb 0.39 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k3m h ALA 114 CO 0.07 -0.19 -0.37 0.00 0.00 0.00 0.00 179.25 178.76 2k3m h ALA 115 N 1.75 -0.02 -0.10 0.00 0.00 -1.31 -3.06 119.26 116.53 2k3m h ALA 115 Ca 0.22 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2k3m h ALA 115 Cb 0.50 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2k3m h ALA 115 CO -0.05 0.17 -0.22 0.82 0.00 0.00 0.00 179.25 179.98 2k3m h ILE 116 N -0.62 0.47 -0.30 0.00 2.04 0.13 1.49 117.51 120.73 2k3m h ILE 116 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2k3m h ILE 116 Cb 1.24 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 2k3m h ILE 116 CO 0.07 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.84 2k3m h GLU 117 N -0.29 -0.15 0.05 2.37 4.81 -0.40 1.67 114.58 122.63 2k3m h GLU 117 Ca 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2k3m h GLU 117 Cb 0.42 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2k3m h GLU 117 CO -0.27 -0.10 -0.04 -0.39 -0.73 0.00 0.00 179.01 177.48 2k3m h VAL 118 N -0.16 0.91 0.00 0.32 -1.51 -1.33 0.95 116.25 115.43 2k3m h VAL 118 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 2k3m h VAL 118 Cb 0.29 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2k3m h VAL 118 CO -0.36 0.00 0.00 -0.11 -1.23 0.00 0.00 177.57 175.87 2k3m n LEU 119 N -5.14 0.00 0.00 4.19 0.00 0.51 -4.21 117.00 112.34 2k3m n LEU 119 Ca -0.07 0.94 0.00 0.00 0.00 0.00 0.00 56.01 56.87 2k3m n LEU 119 Cb 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 43.42 43.06 2k3m n LEU 119 CO 0.33 -0.44 0.14 0.61 0.00 0.00 0.00 177.39 178.04 2k3m n GLY 120 N -0.96 -0.82 0.00 -3.96 0.00 0.56 -5.02 105.19 94.98 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 -0.62 0.00 0.00 2.61 -1.04 0.33 -4.90 114.28 110.65 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3m n GLY 122 N 0.00 3.36 3.52 3.41 0.00 -1.26 -4.79 105.19 109.43 2k3m n GLY 122 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.64 -0.00 -3.82 2.61 -1.04 -1.26 -4.69 114.28 104.44 2k3m n THR 123 Ca 0.00 -0.48 -0.06 0.00 -2.04 0.00 0.00 64.05 61.47 2k3m n THR 123 Cb 0.00 -0.66 -0.01 0.00 -1.82 0.00 0.00 70.33 67.84 2k3m n THR 123 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2k3m s ASP 124 N 3.80 -0.19 -0.03 8.00 -4.77 -1.26 -4.95 116.67 117.27 2k3m s ASP 124 Ca 1.20 -0.58 -0.03 0.00 -3.30 0.00 0.00 52.55 49.84 2k3m s ASP 124 Cb -0.64 0.64 0.01 0.00 -1.09 0.00 0.00 42.92 41.83 2k3m s ASP 124 CO 0.42 -1.19 0.09 -0.47 0.70 0.00 0.00 175.17 174.71 2k3m s TYR 125 N -3.47 -0.05 -0.03 2.11 5.04 -1.26 -5.03 117.35 114.66 2k3m s TYR 125 Ca 0.12 0.14 -0.12 0.00 -2.44 0.00 0.00 57.07 54.78 2k3m s TYR 125 Cb -0.04 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.29 2k3m s TYR 125 CO 0.06 -0.09 0.25 1.03 -1.34 0.00 0.00 175.55 175.46 2k3m s ARG 126 N -0.23 0.54 0.00 4.97 1.81 -1.26 -4.83 118.95 119.95 2k3m s ARG 126 Ca -0.03 -0.13 0.00 0.00 -1.72 0.00 0.00 55.73 53.85 2k3m s ARG 126 Cb -0.02 0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 2k3m s ARG 126 CO 0.00 -0.13 0.00 0.34 -0.68 0.00 0.00 175.30 174.83