#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 0.58 0.00 3.17 3.41 -1.26 -4.85 113.62 114.68 2k3m n SER 2 Ca 0.00 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 2k3m n SER 2 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.35 0.00 -3.61 4.04 8.00 -1.26 -5.19 116.55 118.18 2k3m n ASP 3 Ca 0.12 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.47 2k3m n ASP 3 Cb 0.14 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.18 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2k3m s PHE 4 N 0.00 -0.45 -0.05 1.24 5.36 -1.26 -5.18 117.98 117.64 2k3m s PHE 4 Ca 0.00 0.70 -0.21 0.00 -0.96 0.00 0.00 56.93 56.47 2k3m s PHE 4 Cb 0.00 0.30 0.04 0.00 -0.34 0.00 0.00 43.02 43.02 2k3m s PHE 4 CO 0.00 -0.55 0.46 0.16 -1.46 0.00 0.00 175.22 173.83 2k3m s ASP 5 N -1.43 -0.40 0.80 6.13 1.47 -1.26 -5.06 116.67 116.93 2k3m s ASP 5 Ca -0.10 0.43 -0.11 0.00 1.18 0.00 0.00 52.55 53.94 2k3m s ASP 5 Cb -0.02 0.48 0.08 0.00 -0.34 0.00 0.00 42.92 43.13 2k3m s ASP 5 CO 0.05 -0.47 1.16 -0.89 0.68 0.00 0.00 175.17 175.71 2k3m s THR 6 N -1.06 2.04 0.09 2.11 2.01 -1.26 -4.50 115.64 115.05 2k3m s THR 6 Ca -0.11 -0.04 -0.32 0.00 0.31 0.00 0.00 61.69 61.53 2k3m s THR 6 Cb -0.03 -3.00 -0.15 0.00 0.01 0.00 0.00 72.50 69.33 2k3m s THR 6 CO 0.06 0.00 1.61 -0.08 -0.69 0.00 0.00 174.62 175.52 2k3m h GLU 7 N -1.02 -0.79 0.09 4.92 4.81 -2.00 9.34 114.58 129.93 2k3m h GLU 7 Ca -0.46 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 2k3m h GLU 7 Cb 1.32 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.84 2k3m h GLU 7 CO 0.64 -0.52 -0.32 0.07 -0.73 0.00 0.00 179.01 178.15 2k3m h ARG 8 N -0.81 -0.51 0.13 1.92 0.11 -1.95 2.46 114.38 115.74 2k3m h ARG 8 Ca -0.04 0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2k3m h ARG 8 Cb 0.70 0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.90 2k3m h ARG 8 CO -0.01 -0.34 -0.06 0.28 0.10 0.00 0.00 179.97 179.93 2k3m h VAL 9 N -0.53 1.02 0.37 0.08 2.07 -1.88 -0.64 116.25 116.74 2k3m h VAL 9 Ca 0.04 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 2k3m h VAL 9 Cb 0.57 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2k3m h VAL 9 CO -0.20 0.16 -0.18 -1.28 0.02 0.00 0.00 177.57 176.09 2k3m h SER 10 N -0.50 -0.42 0.58 0.57 0.87 2.06 -2.50 113.55 114.21 2k3m h SER 10 Ca -0.02 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2k3m h SER 10 Cb 0.39 0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2k3m h SER 10 CO 0.03 -0.23 -0.28 -0.09 -0.53 0.00 0.00 176.83 175.73 2k3m h ARG 11 N -0.65 -0.75 -0.32 2.24 2.43 0.41 2.01 114.38 119.77 2k3m h ARG 11 Ca -0.05 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2k3m h ARG 11 Cb 0.38 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 2k3m h ARG 11 CO 0.08 -0.44 -0.05 0.00 -1.51 0.00 0.00 179.97 178.05 2k3m h ALA 12 N -0.83 0.24 0.00 2.80 0.00 -0.13 2.59 119.26 123.93 2k3m h ALA 12 Ca -0.08 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k3m h ALA 12 Cb 0.65 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2k3m h ALA 12 CO 0.13 -0.44 -0.00 0.28 0.00 0.00 0.00 179.25 179.21 2k3m h VAL 13 N 0.03 1.09 0.64 0.00 2.07 -1.16 1.81 116.25 120.73 2k3m h VAL 13 Ca 0.15 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2k3m h VAL 13 Cb 0.22 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2k3m h VAL 13 CO -0.30 0.07 -0.50 0.00 0.02 0.00 0.00 177.57 176.86 2k3m h ALA 14 N 0.87 -1.21 -0.07 1.67 0.00 0.47 3.76 119.26 124.76 2k3m h ALA 14 Ca -0.00 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2k3m h ALA 14 Cb 0.12 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 2k3m h ALA 14 CO 0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 179.25 177.80 2k3m h ALA 15 N -1.05 -0.27 0.66 0.00 0.00 0.45 2.20 119.26 121.25 2k3m h ALA 15 Ca -0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 15 Cb 0.91 0.45 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2k3m h ALA 15 CO 0.02 -0.72 -0.32 0.00 0.00 0.00 0.00 179.25 178.23 2k3m h ALA 16 N 0.56 -0.89 0.12 0.00 0.00 0.30 2.82 119.26 122.17 2k3m h ALA 16 Ca 0.08 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 16 Cb 0.46 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2k3m h ALA 16 CO -0.26 -0.91 -0.26 1.25 0.00 0.00 0.00 179.25 179.07 2k3m h LEU 17 N -1.08 -0.74 0.41 0.00 6.46 0.73 1.47 115.31 122.57 2k3m h LEU 17 Ca -0.09 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2k3m h LEU 17 Cb 0.72 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 2k3m h LEU 17 CO 0.15 -0.35 -0.20 -0.37 -0.62 0.00 0.00 178.44 177.05 2k3m h VAL 18 N -0.47 0.35 -0.25 1.05 -1.51 0.36 -3.31 116.25 112.47 2k3m h VAL 18 Ca 0.03 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2k3m h VAL 18 Cb 0.50 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 2k3m h VAL 18 CO -0.15 0.07 0.00 0.61 -1.23 0.00 0.00 177.57 176.87 2k3m n GLY 19 N -0.03 -2.98 0.07 5.19 0.00 0.94 -4.84 105.19 103.55 2k3m n GLY 19 Ca -0.09 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 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 0.02 0.74 1.61 0.13 -1.74 -3.35 132.00 129.41 2k3m h PRO 20 Ca 0.00 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 2k3m h PRO 20 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.15 2k3m h PRO 20 CO 0.00 0.88 -0.36 0.78 -0.23 0.00 0.00 178.00 179.07 2k3m h GLY 21 N 3.05 -1.04 0.42 1.56 0.00 -1.82 1.41 103.07 106.64 2k3m h GLY 21 Ca -0.09 0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.66 2k3m h GLY 21 CO 0.12 -0.38 -0.20 -1.33 0.00 0.00 0.00 176.54 174.75 2k3m h GLY 22 N -1.12 -0.20 1.44 4.60 0.00 0.18 1.15 103.07 109.11 2k3m h GLY 22 Ca -0.10 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.55 2k3m h GLY 22 CO 0.17 -0.18 0.21 -2.08 0.00 0.00 0.00 176.54 174.65 2k3m h VAL 23 N -0.27 0.78 0.59 4.60 2.07 -1.43 -1.56 116.25 121.03 2k3m h VAL 23 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2k3m h VAL 23 Cb 0.40 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2k3m h VAL 23 CO -0.25 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.06 2k3m h ALA 24 N 1.84 -1.12 -0.18 1.67 0.00 1.10 -1.17 119.26 121.40 2k3m h ALA 24 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 24 Cb 0.54 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k3m h ALA 24 CO -0.00 -1.06 0.06 -0.07 0.00 0.00 0.00 179.25 178.18 2k3m h LEU 25 N -0.85 0.25 0.71 0.00 4.07 -1.02 0.20 115.31 118.67 2k3m h LEU 25 Ca -0.08 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.67 2k3m h LEU 25 Cb 0.61 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 2k3m h LEU 25 CO 0.13 0.37 -0.44 0.58 -1.08 0.00 0.00 178.44 177.99 2k3m h VAL 26 N 0.12 0.10 -0.58 1.22 2.07 -1.38 0.68 116.25 118.48 2k3m h VAL 26 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2k3m h VAL 26 Cb 0.20 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2k3m h VAL 26 CO -0.00 0.00 0.30 1.62 0.02 0.00 0.00 177.57 179.51 2k3m h VAL 27 N -1.09 1.18 0.54 2.57 3.04 -1.25 0.41 116.25 121.66 2k3m h VAL 27 Ca -0.09 -0.49 -0.03 0.00 -1.01 0.00 0.00 66.70 65.09 2k3m h VAL 27 Cb 0.88 0.42 0.01 0.00 -2.01 0.00 0.00 31.29 30.58 2k3m h VAL 27 CO 0.09 0.21 -0.26 0.50 -1.01 0.00 0.00 177.57 177.10 2k3m h LYS 28 N 0.81 -0.70 -0.01 4.17 3.64 -0.23 0.13 116.57 124.38 2k3m h LYS 28 Ca 0.21 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2k3m h LYS 28 Cb 0.05 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2k3m h LYS 28 CO -0.03 -0.41 0.00 0.28 -2.27 0.00 0.00 179.45 177.02 2k3m h VAL 29 N -1.10 1.21 0.61 2.00 2.07 0.46 1.04 116.25 122.54 2k3m h VAL 29 Ca -0.07 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 2k3m h VAL 29 Cb 0.61 1.62 0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2k3m h VAL 29 CO 0.12 0.17 -0.29 0.00 0.02 0.00 0.00 177.57 177.58 2k3m h ALA 31 N -1.39 0.06 -5.57 0.00 0.00 -0.83 -3.48 119.26 108.05 2k3m h ALA 31 Ca -0.08 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 2k3m h ALA 31 Cb 0.63 -0.02 0.18 0.00 0.00 0.00 0.00 17.79 18.59 2k3m h ALA 31 CO 0.14 -0.36 -0.87 0.41 0.00 0.00 0.00 179.25 178.56 2k3m n GLY 32 N -0.69 -1.14 0.00 0.00 0.00 0.36 -4.24 105.19 99.48 2k3m n GLY 32 Ca -0.07 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.37 0.00 0.08 0.99 4.32 -1.26 -4.60 117.00 113.16 2k3m n LEU 33 Ca -0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.78 2k3m n LEU 33 Cb 0.62 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.34 2k3m n LEU 33 CO 0.60 0.00 0.58 -0.65 -1.22 0.00 0.00 177.39 176.70 2k3m h PRO 34 N 0.00 -0.60 0.70 3.23 0.11 -1.96 -3.19 132.00 130.28 2k3m h PRO 34 Ca 0.00 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 2k3m h PRO 34 Cb 0.00 0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.25 2k3m h PRO 34 CO 0.00 -0.40 -0.33 0.78 -0.21 0.00 0.00 178.00 177.83 2k3m h GLY 35 N -0.63 -0.98 -4.79 -0.55 0.00 -1.95 -3.43 103.07 90.74 2k3m h GLY 35 Ca 0.03 0.36 -0.64 0.00 0.00 0.00 0.00 47.33 47.08 2k3m h GLY 35 CO -0.29 -0.36 -0.47 -0.62 0.00 0.00 0.00 176.54 174.81 2k3m n VAL 36 N -5.40 1.77 -2.10 4.60 0.31 -1.21 -3.41 118.33 112.90 2k3m n VAL 36 Ca -0.12 -0.44 -0.01 0.00 -0.01 0.00 0.00 64.34 63.76 2k3m n VAL 36 Cb 0.37 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 2k3m n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k3m n ILE 37 N 0.09 -5.02 -3.87 2.52 0.13 -1.26 -4.67 119.36 107.28 2k3m n ILE 37 Ca 0.17 0.05 -0.14 0.00 -1.10 0.00 0.00 62.75 61.74 2k3m n ILE 37 Cb 0.23 -5.03 -0.15 0.00 -0.84 0.00 0.00 39.64 33.85 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.38 2.80 0.00 0.00 176.55 177.97 2k3m s HIS 38 N -2.55 0.08 -0.05 9.51 -3.43 -1.22 -5.05 115.29 112.58 2k3m s HIS 38 Ca 0.03 0.03 0.03 0.00 -0.80 0.00 0.00 55.06 54.36 2k3m s HIS 38 Cb -0.01 -0.14 -0.03 0.00 -1.43 0.00 0.00 32.58 30.98 2k3m s HIS 38 CO 0.30 -0.04 -0.14 -0.08 -2.00 0.00 0.00 174.74 172.79 2k3m s THR 39 N 0.41 3.13 -1.26 -5.38 -1.32 -1.26 -5.01 115.64 104.94 2k3m s THR 39 Ca -0.04 -0.70 0.17 0.00 -1.21 0.00 0.00 61.69 59.91 2k3m s THR 39 Cb -0.05 -2.23 0.23 0.00 -1.51 0.00 0.00 72.50 68.94 2k3m s THR 39 CO -0.01 0.59 1.51 -0.81 -2.21 0.00 0.00 174.62 173.69 2k3m n PRO 40 N 2.30 0.15 -3.73 7.08 -0.04 -1.26 -4.35 135.00 135.15 2k3m n PRO 40 Ca -0.17 0.16 -0.36 0.00 -0.04 0.00 0.00 63.50 63.09 2k3m n PRO 40 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2k3m n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3m s ALA 41 N -2.74 3.51 -0.01 0.55 0.00 -1.26 -5.06 121.76 116.75 2k3m s ALA 41 Ca 0.13 -3.15 0.07 0.00 0.00 0.00 0.00 51.96 49.00 2k3m s ALA 41 Cb 0.11 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 2k3m s ALA 41 CO 0.28 -2.06 -0.21 -0.98 0.00 0.00 0.00 175.76 172.79 2k3m s ARG 42 N 0.11 1.72 0.00 0.00 1.70 -1.26 -4.99 118.95 116.23 2k3m s ARG 42 Ca 0.16 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.64 2k3m s ARG 42 Cb -0.21 -1.67 0.00 0.00 -0.57 0.00 0.00 34.95 32.50 2k3m s ARG 42 CO -0.03 0.46 0.00 -2.13 -1.08 0.00 0.00 175.30 172.51 2k3m n ARG 43 N 2.51 0.00 0.00 3.89 3.00 -1.26 -4.48 116.66 120.32 2k3m n ARG 43 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 2k3m n ARG 43 Cb 0.53 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.52 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 1.74 0.97 3.82 5.14 0.00 -1.26 -4.65 105.19 110.95 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 -1.36 0.00 0.00 0.00 173.32 171.96 2k3m s PHE 45 N 0.00 -0.00 0.00 1.61 0.08 -1.26 -4.90 117.98 113.51 2k3m s PHE 45 Ca 0.00 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.77 2k3m s PHE 45 Cb 0.00 0.64 0.00 0.00 -0.57 0.00 0.00 43.02 43.09 2k3m s PHE 45 CO 0.00 -0.69 0.00 1.19 -0.10 0.00 0.00 175.22 175.62 2k3m n PHE 46 N -0.64 0.00 0.00 0.36 3.01 -1.26 -5.07 117.46 113.86 2k3m n PHE 46 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 2k3m n PHE 46 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 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 0.77 0.00 -2.55 -1.08 5.12 -1.26 -4.97 116.66 112.69 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 -2.65 1.02 -0.04 0.00 0.02 -1.26 -5.03 114.94 107.01 2k3m s ASN 49 Ca 0.01 -1.03 -0.00 0.00 -1.02 0.00 0.00 52.86 50.81 2k3m s ASN 49 Cb -0.00 0.12 -0.00 0.00 0.02 0.00 0.00 41.25 41.39 2k3m s ASN 49 CO 0.51 -0.51 0.99 -0.81 0.02 0.00 0.00 177.10 177.31 2k3m n PRO 50 N -0.05 0.09 -2.45 -0.60 -0.04 -1.26 -4.23 135.00 126.46 2k3m n PRO 50 Ca -0.11 -0.48 -0.06 0.00 -0.04 0.00 0.00 63.50 62.81 2k3m n PRO 50 Cb 0.61 -1.96 -0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2k3m n PRO 50 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k3m n GLU 51 N 4.71 -2.62 -4.31 0.54 2.13 -1.26 -4.90 120.64 114.93 2k3m n GLU 51 Ca 0.02 0.27 -0.24 0.00 0.66 0.00 0.00 57.16 57.88 2k3m n GLU 51 Cb 0.01 -4.81 -0.12 0.00 0.27 0.00 0.00 31.44 26.79 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k3m s ARG 52 N -4.97 1.20 0.34 5.31 0.52 -1.26 -5.11 118.95 114.98 2k3m s ARG 52 Ca 0.00 -1.27 -0.28 0.00 -0.52 0.00 0.00 55.73 53.66 2k3m s ARG 52 Cb 0.00 -1.42 -0.12 0.00 0.52 0.00 0.00 34.95 33.93 2k3m s ARG 52 CO 0.00 0.32 1.30 1.51 0.02 0.00 0.00 175.30 178.44 2k3m n ILE 53 N 0.79 2.00 -2.82 1.52 0.13 -1.26 -4.83 119.36 114.89 2k3m n ILE 53 Ca -0.17 -0.50 -0.43 0.00 -1.10 0.00 0.00 62.75 60.55 2k3m n ILE 53 Cb 0.55 -1.59 -0.02 0.00 -0.84 0.00 0.00 39.64 37.74 2k3m n ILE 53 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2k3m s GLN 54 N -1.89 3.78 0.01 9.51 0.00 -1.26 -4.97 119.66 124.85 2k3m s GLN 54 Ca 0.55 -1.89 -0.06 0.00 -0.00 0.00 0.00 55.36 53.96 2k3m s GLN 54 Cb -0.57 -5.12 -0.00 0.00 0.00 0.00 0.00 33.01 27.32 2k3m s GLN 54 CO 0.62 -1.92 0.11 -1.50 0.00 0.00 0.00 175.29 172.60 2k3m s ILE 55 N 3.02 0.10 0.00 3.63 2.07 -1.26 -4.88 121.20 123.88 2k3m s ILE 55 Ca 0.41 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 58.84 2k3m s ILE 55 Cb -0.02 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 42.06 2k3m s ILE 55 CO -0.05 -0.44 0.00 0.61 -1.91 0.00 0.00 174.94 173.15 2k3m n GLY 56 N 1.32 0.62 3.56 1.50 0.00 -1.26 -5.06 105.19 105.87 2k3m n GLY 56 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.59 6.44 0.95 1.61 1.47 -1.26 -5.06 116.67 118.23 2k3m s ASP 57 Ca 0.00 0.10 -0.11 0.00 1.18 0.00 0.00 52.55 53.72 2k3m s ASP 57 Cb 0.00 -2.35 0.16 0.00 -0.34 0.00 0.00 42.92 40.39 2k3m s ASP 57 CO 0.00 -0.70 0.95 0.79 0.68 0.00 0.00 175.17 176.89 2k3m n TRP 58 N 6.27 -3.87 -0.11 2.11 7.02 -1.26 -5.00 117.44 122.60 2k3m n TRP 58 Ca 0.00 -0.93 -0.21 0.00 -1.02 0.00 0.00 57.50 55.34 2k3m n TRP 58 Cb 0.48 -0.73 -0.08 0.00 -2.42 0.00 0.00 31.31 28.56 2k3m n TRP 58 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2k3m n ARG 59 N -2.99 0.56 0.00 -0.99 3.00 -1.26 -4.47 116.66 110.50 2k3m n ARG 59 Ca 0.12 0.33 0.13 0.00 -0.01 0.00 0.00 57.85 58.42 2k3m n ARG 59 Cb 0.43 -1.54 0.66 0.00 0.00 0.00 0.00 32.46 32.01 2k3m n ARG 59 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 2k3m n TYR 60 N -4.37 0.00 0.35 -1.55 9.36 -1.26 -3.15 117.16 116.54 2k3m n TYR 60 Ca -0.36 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.00 2k3m n TYR 60 Cb 0.70 -0.30 0.57 0.00 -0.63 0.00 0.00 39.34 39.68 2k3m n TYR 60 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2k3m h GLU 61 N 0.00 0.00 -0.64 2.98 4.22 -1.99 -3.28 114.58 115.87 2k3m h GLU 61 Ca 0.00 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.56 2k3m h GLU 61 Cb 0.26 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.39 2k3m h GLU 61 CO 0.00 0.00 -0.27 -0.39 -2.18 0.00 0.00 179.01 176.17 2k3m h VAL 62 N 0.00 0.22 -0.15 0.32 -1.51 -1.83 1.54 116.25 114.84 2k3m h VAL 62 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 2k3m h VAL 62 Cb 0.42 0.22 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 2k3m h VAL 62 CO 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 177.57 176.36 2k3m h ALA 63 N 1.29 0.20 0.45 5.19 0.00 -1.87 2.01 119.26 126.53 2k3m h ALA 63 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k3m h ALA 63 Cb 0.54 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2k3m h ALA 63 CO -0.70 -0.13 -0.49 0.45 0.00 0.00 0.00 179.25 178.37 2k3m h HIS 64 N 0.04 -1.37 0.00 0.00 -0.00 -0.74 -1.70 115.15 111.38 2k3m h HIS 64 Ca 0.05 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2k3m h HIS 64 Cb 0.30 0.54 0.00 0.00 -0.00 0.00 0.00 27.41 28.25 2k3m h HIS 64 CO 0.02 -0.65 -0.00 -0.44 -0.00 0.00 0.00 177.93 176.86 2k3m h ASP 65 N -0.95 -0.00 0.00 2.45 5.19 0.20 -2.93 116.42 120.38 2k3m h ASP 65 Ca -0.05 -0.39 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2k3m h ASP 65 Cb 0.84 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2k3m h ASP 65 CO -0.09 0.39 0.00 0.61 -3.12 0.00 0.00 179.24 177.03 2k3m n GLY 66 N -0.05 0.34 0.00 2.75 0.00 0.68 -3.13 105.19 105.78 2k3m n GLY 66 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 0.94 0.66 -0.58 1.61 5.12 -0.66 -4.01 116.66 119.76 2k3m n ARG 67 Ca 0.00 0.01 0.43 0.00 -1.93 0.00 0.00 57.85 56.36 2k3m n ARG 67 Cb 0.08 -1.50 0.67 0.00 -1.16 0.00 0.00 32.46 30.55 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2k3m n LEU 68 N -1.15 0.00 0.01 0.55 -0.00 -1.18 -0.51 117.00 114.72 2k3m n LEU 68 Ca 0.18 0.80 -0.00 0.00 -0.00 0.00 0.00 56.01 56.99 2k3m n LEU 68 Cb 0.17 -0.40 -0.00 0.00 -0.00 0.00 0.00 43.42 43.19 2k3m n LEU 68 CO 0.20 -0.80 0.20 0.17 -0.00 0.00 0.00 177.39 177.16 2k3m h LEU 69 N 0.00 -0.02 0.00 1.47 8.10 -1.92 -3.17 115.31 119.77 2k3m h LEU 69 Ca 0.76 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.75 2k3m h LEU 69 Cb 3.07 0.01 0.00 0.00 -0.44 0.00 0.00 40.66 43.30 2k3m h LEU 69 CO -0.01 -0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.32 2k3m n ALA 70 N -2.04 -0.02 0.00 0.17 0.00 0.34 -3.85 120.51 115.12 2k3m n ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3m n ALA 70 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.78 1.27 0.00 0.00 0.00 -0.68 -4.49 120.51 115.83 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 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.18 0.00 0.17 0.00 -0.00 -0.75 0.11 115.22 114.56 2k3m n HIS 72 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2k3m n HIS 72 Cb 0.00 -0.45 -0.08 0.00 -0.00 0.00 0.00 29.99 29.46 2k3m n HIS 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k3m h MET 73 N 0.00 -0.40 -0.86 1.57 -0.00 -1.85 -3.24 114.93 110.14 2k3m h MET 73 Ca 0.00 0.03 0.22 0.00 -0.00 0.00 0.00 59.70 59.95 2k3m h MET 73 Cb 0.00 0.09 -0.15 0.00 -0.00 0.00 0.00 31.60 31.54 2k3m h MET 73 CO 0.00 -0.12 0.09 -0.39 -0.00 0.00 0.00 176.91 176.49 2k3m h VAL 74 N -0.65 0.24 -0.26 -0.10 -1.51 0.38 0.84 116.25 115.18 2k3m h VAL 74 Ca -0.04 -0.04 0.08 0.00 -1.23 0.00 0.00 66.70 65.47 2k3m h VAL 74 Cb 0.46 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.73 2k3m h VAL 74 CO 0.07 0.02 0.94 -3.20 -1.23 0.00 0.00 177.57 174.17 2k3m n ASN 75 N -5.35 0.00 0.31 4.19 5.15 -1.13 0.32 115.26 118.75 2k3m n ASN 75 Ca 0.19 0.51 0.12 0.00 -0.60 0.00 0.00 54.58 54.79 2k3m n ASN 75 Cb 0.63 -0.06 0.59 0.00 -0.53 0.00 0.00 39.78 40.40 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2k3m h GLY 76 N 0.00 0.00 0.69 8.20 0.00 0.52 0.00 103.07 112.48 2k3m h GLY 76 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.50 2k3m h GLY 76 CO -0.00 0.00 0.17 0.16 0.00 0.00 0.00 176.54 176.87 2k3m h ILE 77 N 0.00 0.91 0.00 2.60 3.07 0.48 -1.81 117.51 122.76 2k3m h ILE 77 Ca 0.02 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.31 2k3m h ILE 77 Cb 1.09 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.16 2k3m h ILE 77 CO -0.00 0.06 0.71 0.58 -1.05 0.00 0.00 178.15 178.46 2k3m h VAL 78 N 0.35 0.00 0.11 0.16 2.07 -1.23 0.54 116.25 118.26 2k3m h VAL 78 Ca 0.19 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.34 2k3m h VAL 78 Cb 0.15 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2k3m h VAL 78 CO -0.17 0.00 -2.04 2.30 0.02 0.00 0.00 177.57 177.68 2k3m n ILE 79 N -2.31 1.75 0.13 4.57 -5.35 -0.68 -2.60 119.36 114.87 2k3m n ILE 79 Ca -0.00 -0.64 0.03 0.00 -0.27 0.00 0.00 62.75 61.87 2k3m n ILE 79 Cb 0.72 -1.71 0.02 0.00 -1.74 0.00 0.00 39.64 36.94 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m h ALA 80 N 0.05 0.69 -1.34 -1.28 0.00 -0.02 -3.31 119.26 114.07 2k3m h ALA 80 Ca -0.44 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2k3m h ALA 80 Cb 2.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2k3m h ALA 80 CO 0.07 0.58 0.00 -0.85 0.00 0.00 0.00 179.25 179.05 2k3m n GLU 81 N -3.14 0.00 0.05 0.00 0.28 -0.37 -4.77 120.64 112.69 2k3m n GLU 81 Ca 0.00 0.11 0.07 0.00 -0.16 0.00 0.00 57.16 57.18 2k3m n GLU 81 Cb 0.72 -0.47 -0.06 0.00 1.43 0.00 0.00 31.44 33.06 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2k3m n ASP 82 N -1.77 0.68 -0.35 -1.84 8.00 -1.26 -4.39 116.55 115.62 2k3m n ASP 82 Ca 0.00 0.27 -0.01 0.00 0.71 0.00 0.00 54.79 55.77 2k3m n ASP 82 Cb 0.00 0.64 0.13 0.00 -0.02 0.00 0.00 41.12 41.87 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 1.78 1.24 0.00 2.24 0.00 -1.60 -2.36 119.26 120.56 2k3m h ALA 83 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 83 Cb 1.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k3m h ALA 83 CO 0.02 0.48 0.69 1.47 0.00 0.00 0.00 179.25 181.90 2k3m n LEU 84 N -4.49 0.04 -0.04 0.00 -0.00 -1.24 0.73 117.00 112.00 2k3m n LEU 84 Ca 0.12 0.28 -0.22 0.00 -0.00 0.00 0.00 56.01 56.19 2k3m n LEU 84 Cb 0.09 -0.06 -0.13 0.00 -0.00 0.00 0.00 43.42 43.32 2k3m n LEU 84 CO 0.34 -0.29 -0.70 0.00 -0.00 0.00 0.00 177.39 176.74 2k3m n ILE 85 N -1.76 1.69 0.02 1.47 3.06 -0.89 -3.31 119.36 119.65 2k3m n ILE 85 Ca -0.00 -0.41 0.04 0.00 -2.50 0.00 0.00 62.75 59.88 2k3m n ILE 85 Cb 0.69 -1.86 -0.10 0.00 0.54 0.00 0.00 39.64 38.91 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 -3.17 2.24 0.07 1.51 0.00 0.19 -4.09 120.51 117.27 2k3m n ALA 86 Ca -0.32 -0.58 -0.02 0.00 0.00 0.00 0.00 53.44 52.53 2k3m n ALA 86 Cb 0.91 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.05 0.00 4.22 0.09 -3.28 114.58 115.56 2k3m h GLU 87 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.30 2k3m h GLU 87 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2k3m h GLU 87 CO 0.02 0.57 0.00 0.00 -2.18 0.00 0.00 179.01 177.42 2k3m n ALA 88 N -2.34 1.50 -0.97 2.92 0.00 -1.21 -3.80 120.51 116.61 2k3m n ALA 88 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2k3m n ALA 88 Cb 0.85 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 2k3m n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3m n VAL 89 N -0.18 2.79 -0.17 0.00 0.31 -1.24 -4.78 118.33 115.07 2k3m n VAL 89 Ca 0.00 -1.66 0.13 0.00 -0.01 0.00 0.00 64.34 62.80 2k3m n VAL 89 Cb 0.01 -1.62 0.25 0.00 -0.91 0.00 0.00 33.84 31.57 2k3m n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k3m n GLY 90 N 1.35 -0.48 0.00 2.92 0.00 -1.25 0.33 105.19 108.06 2k3m n GLY 90 Ca 0.31 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2k3m n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k3m n PRO 91 N -4.29 0.00 0.20 1.61 -0.02 -1.26 -2.23 135.00 129.00 2k3m n PRO 91 Ca 0.17 0.03 0.06 0.00 -2.02 0.00 0.00 63.50 61.73 2k3m n PRO 91 Cb 0.56 -1.67 0.30 0.00 -0.02 0.00 0.00 33.50 32.68 2k3m n PRO 91 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2k3m h HIS 92 N 0.00 0.00 -0.05 6.00 2.76 0.50 1.46 115.15 125.82 2k3m h HIS 92 Ca 0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2k3m h HIS 92 Cb 0.34 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 2k3m h HIS 92 CO 0.00 0.00 -0.03 1.25 -1.30 0.00 0.00 177.93 177.85 2k3m h LEU 93 N 0.00 -0.10 -0.64 0.26 5.85 -1.70 0.49 115.31 119.48 2k3m h LEU 93 Ca 0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 2k3m h LEU 93 Cb 0.91 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.88 2k3m h LEU 93 CO 0.00 -0.05 -0.18 0.00 -0.34 0.00 0.00 178.44 177.87 2k3m h ALA 94 N 1.01 0.38 0.00 1.25 0.00 0.17 3.71 119.26 125.78 2k3m h ALA 94 Ca 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2k3m h ALA 94 Cb 0.08 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k3m h ALA 94 CO -0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 179.25 178.67 2k3m h ARG 95 N -0.02 0.00 -0.13 0.00 3.08 -1.41 -1.71 114.38 114.18 2k3m h ARG 95 Ca 0.30 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.40 2k3m h ARG 95 Cb 0.48 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 2k3m h ARG 95 CO -0.67 0.06 -0.16 0.00 -1.07 0.00 0.00 179.97 178.12 2k3m h ALA 96 N 1.94 -0.09 -1.02 0.04 0.00 1.19 0.31 119.26 121.63 2k3m h ALA 96 Ca -0.00 0.05 0.30 0.00 0.00 0.00 0.00 54.91 55.26 2k3m h ALA 96 Cb 0.11 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2k3m h ALA 96 CO 0.01 -0.61 1.05 -0.11 0.00 0.00 0.00 179.25 179.59 2k3m n LEU 97 N -5.31 0.00 -0.08 0.00 0.00 -0.28 0.43 117.00 111.76 2k3m n LEU 97 Ca -0.03 0.67 -0.16 0.00 0.00 0.00 0.00 56.01 56.49 2k3m n LEU 97 Cb 0.22 -0.26 -0.11 0.00 0.00 0.00 0.00 43.42 43.28 2k3m n LEU 97 CO 0.21 -0.67 -0.06 1.23 0.00 0.00 0.00 177.39 178.11 2k3m h GLY 98 N 0.00 0.00 0.03 -3.96 0.00 -0.53 -3.23 103.07 95.38 2k3m h GLY 98 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2k3m h GLY 98 CO -0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 2k3m n GLN 99 N -4.55 0.79 0.30 4.80 1.13 0.90 -3.59 117.38 117.16 2k3m n GLN 99 Ca -0.19 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.71 2k3m n GLN 99 Cb 0.53 -1.01 -0.08 0.00 0.11 0.00 0.00 30.24 29.78 2k3m n GLN 99 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 2k3m h ILE 100 N 0.00 0.45 0.64 5.09 2.10 0.90 -1.34 117.51 125.34 2k3m h ILE 100 Ca 0.00 -0.13 -0.02 0.00 1.08 0.00 0.00 64.86 65.79 2k3m h ILE 100 Cb 0.00 0.50 -0.01 0.00 -1.09 0.00 0.00 36.82 36.22 2k3m h ILE 100 CO 0.00 0.02 -0.48 1.62 -1.08 0.00 0.00 178.15 178.23 2k3m h VAL 101 N -0.81 0.04 0.00 2.19 3.04 -1.79 0.45 116.25 119.36 2k3m h VAL 101 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2k3m h VAL 101 Cb 0.59 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.92 2k3m h VAL 101 CO 0.12 0.00 0.71 0.00 -1.01 0.00 0.00 177.57 177.40 2k3m n ARG 103 N -2.34 0.67 -0.89 0.00 0.63 0.04 -2.46 116.66 112.32 2k3m n ARG 103 Ca -0.01 0.14 0.02 0.00 -0.92 0.00 0.00 57.85 57.09 2k3m n ARG 103 Cb 0.73 -1.56 0.35 0.00 0.45 0.00 0.00 32.46 32.43 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 2.07 -0.33 -0.14 9.36 0.29 -4.51 117.16 120.71 2k3m n TYR 104 Ca -0.40 -0.93 0.00 0.00 3.32 0.00 0.00 57.90 59.89 2k3m n TYR 104 Cb 1.04 -0.55 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 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 0.17 0.33 0.00 2.98 0.00 0.51 -4.91 105.19 104.28 2k3m n GLY 105 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.11 4.61 0.00 -1.03 -4.39 120.51 119.81 2k3m n ALA 106 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2k3m n ALA 106 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2k3m n ALA 106 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k3m n THR 107 N 0.00 0.00 0.51 0.00 5.66 -1.26 -4.54 114.28 114.65 2k3m n THR 107 Ca 0.00 -0.46 0.03 0.00 -3.05 0.00 0.00 64.05 60.57 2k3m n THR 107 Cb 0.00 1.02 0.14 0.00 -1.55 0.00 0.00 70.33 69.94 2k3m n THR 107 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2k3m n VAL 108 N -0.69 0.85 0.03 1.08 0.24 -1.26 -3.75 118.33 114.82 2k3m n VAL 108 Ca 0.01 -0.47 0.03 0.00 -2.04 0.00 0.00 64.34 61.87 2k3m n VAL 108 Cb 0.05 -0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.08 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 0.24 0.00 -0.32 1.34 -5.35 -1.26 -4.81 119.36 109.20 2k3m n ILE 109 Ca 0.10 -0.18 0.11 0.00 -0.27 0.00 0.00 62.75 62.51 2k3m n ILE 109 Cb 0.51 0.41 0.32 0.00 -1.74 0.00 0.00 39.64 39.14 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2k3m h PRO 110 N 0.00 0.79 0.18 6.28 0.13 -1.87 1.29 132.00 138.79 2k3m h PRO 110 Ca 0.00 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2k3m h PRO 110 Cb 0.30 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2k3m h PRO 110 CO 0.00 0.52 -0.08 -0.97 -0.23 0.00 0.00 178.00 177.24 2k3m h ASN 111 N 0.81 -0.20 0.18 1.44 -1.24 -1.87 -2.40 115.58 112.30 2k3m h ASN 111 Ca 0.49 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.47 2k3m h ASN 111 Cb 0.68 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.77 2k3m h ASN 111 CO -0.26 -0.13 -0.16 0.16 -1.29 0.00 0.00 177.43 175.76 2k3m h ILE 112 N -0.27 1.07 0.53 2.57 3.07 -1.87 -2.53 117.51 120.09 2k3m h ILE 112 Ca -0.02 -0.56 -0.02 0.00 1.55 0.00 0.00 64.86 65.81 2k3m h ILE 112 Cb 0.18 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 2k3m h ILE 112 CO 0.04 0.16 -0.30 -1.13 -1.05 0.00 0.00 178.15 175.87 2k3m h ASN 113 N 0.00 -0.73 0.19 2.16 -1.24 0.17 0.95 115.58 117.08 2k3m h ASN 113 Ca -0.00 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 2k3m h ASN 113 Cb 0.29 0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.54 2k3m h ASN 113 CO 0.02 -0.47 -0.08 0.00 -1.29 0.00 0.00 177.43 175.61 2k3m h ALA 114 N -1.53 1.45 0.12 1.57 0.00 -1.41 0.52 119.26 119.98 2k3m h ALA 114 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k3m h ALA 114 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k3m h ALA 114 CO 0.09 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.38 2k3m h ALA 115 N 1.92 -0.17 -0.13 0.00 0.00 -1.07 -2.99 119.26 116.83 2k3m h ALA 115 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 115 Cb 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k3m h ALA 115 CO 0.01 -0.16 0.05 0.82 0.00 0.00 0.00 179.25 179.97 2k3m h ILE 116 N -1.04 1.16 -0.09 0.00 2.04 0.10 -2.48 117.51 117.21 2k3m h ILE 116 Ca -0.02 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.36 2k3m h ILE 116 Cb 0.19 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2k3m h ILE 116 CO 0.03 0.15 -0.17 -0.33 0.00 0.00 0.00 178.15 177.83 2k3m h GLU 117 N 0.04 -0.14 -0.29 2.37 5.08 -0.04 1.44 114.58 123.05 2k3m h GLU 117 Ca 0.04 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 2k3m h GLU 117 Cb 0.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k3m h GLU 117 CO -0.00 -0.09 0.64 0.28 -1.00 0.00 0.00 179.01 178.84 2k3m h VAL 118 N -0.14 0.11 0.08 3.13 2.07 -1.54 0.44 116.25 120.39 2k3m h VAL 118 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2k3m h VAL 118 Cb 0.19 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2k3m h VAL 118 CO -0.16 0.00 -0.04 0.25 0.02 0.00 0.00 177.57 177.64 2k3m h LEU 119 N 0.00 -0.09 0.00 2.57 6.46 0.22 -3.40 115.31 121.06 2k3m h LEU 119 Ca 0.14 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2k3m h LEU 119 Cb 1.42 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 2k3m h LEU 119 CO -0.00 0.40 0.00 0.61 -0.62 0.00 0.00 178.44 178.82 2k3m n GLY 120 N 1.51 -2.36 0.00 3.75 0.00 0.17 -5.00 105.19 103.27 2k3m n GLY 120 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.43 0.00 0.00 2.61 5.66 0.13 -4.85 114.28 117.40 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 1.41 3.54 1.09 0.00 -1.26 -4.93 105.19 105.04 2k3m n GLY 122 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k3m n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 123 N -1.03 0.00 -3.76 2.61 5.66 -1.26 -4.64 114.28 111.87 2k3m n THR 123 Ca 0.00 -0.04 -0.05 0.00 -3.05 0.00 0.00 64.05 60.92 2k3m n THR 123 Cb 0.00 -1.86 -0.02 0.00 -1.55 0.00 0.00 70.33 66.91 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 7.97 -0.22 -0.04 1.09 -1.08 -1.26 -4.86 116.67 118.27 2k3m s ASP 124 Ca 0.76 -0.43 -0.09 0.00 -0.52 0.00 0.00 52.55 52.27 2k3m s ASP 124 Cb -0.05 0.55 0.02 0.00 -1.46 0.00 0.00 42.92 41.98 2k3m s ASP 124 CO 0.18 -1.01 0.22 -0.47 0.52 0.00 0.00 175.17 174.61 2k3m s TYR 125 N -3.46 -0.15 -0.02 -5.34 6.14 -1.26 -5.16 117.35 108.09 2k3m s TYR 125 Ca 0.11 0.31 -0.13 0.00 0.64 0.00 0.00 57.07 57.99 2k3m s TYR 125 Cb -0.03 0.05 0.02 0.00 0.42 0.00 0.00 41.96 42.42 2k3m s TYR 125 CO 0.02 -0.24 0.29 0.50 0.64 0.00 0.00 175.55 176.76 2k3m s ARG 126 N -0.69 0.62 0.00 4.97 6.06 -1.26 -5.06 118.95 123.59 2k3m s ARG 126 Ca -0.08 -0.16 0.00 0.00 -2.50 0.00 0.00 55.73 52.99 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 0.02 -0.16 0.45 1.97 -2.50 0.00 0.00 175.30 175.07