#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpw s GLN 2 N 0.00 0.56 -1.15 -3.83 -2.07 -1.26 -5.07 119.66 106.84 2qpw s GLN 2 Ca 0.00 1.05 -0.20 0.00 -1.82 0.00 0.00 55.36 54.39 2qpw s GLN 2 Cb 0.00 0.11 0.06 0.00 -1.09 0.00 0.00 33.01 32.09 2qpw s GLN 2 CO 0.00 -0.16 1.58 -0.80 -1.32 0.00 0.00 175.29 174.59 2qpw s ASN 3 N 1.62 6.67 0.28 12.60 -0.87 -1.26 -4.97 114.94 129.03 2qpw s ASN 3 Ca -0.09 -1.97 0.03 0.00 -1.57 0.00 0.00 52.86 49.26 2qpw s ASN 3 Cb -0.07 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.25 38.58 2qpw s ASN 3 CO -0.17 -1.32 0.12 0.35 -2.57 0.00 0.00 177.10 173.51 2qpw n THR 4 N 6.58 0.00 1.25 1.60 -2.24 -1.26 -5.06 114.28 115.15 2qpw n THR 4 Ca 0.40 -1.72 0.13 0.00 -2.27 0.00 0.00 64.05 60.60 2qpw n THR 4 Cb 0.48 0.66 0.43 0.00 -2.10 0.00 0.00 70.33 69.80 2qpw n THR 4 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qpw n THR 5 N -0.63 0.00 -1.96 4.28 -2.24 -1.26 -4.92 114.28 107.54 2qpw n THR 5 Ca -0.03 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 2qpw n THR 5 Cb 0.44 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 2qpw n THR 5 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qpw s GLU 6 N -2.57 4.24 0.43 -0.78 0.41 -1.26 -4.95 118.70 114.21 2qpw s GLU 6 Ca 0.24 2.36 -0.25 0.00 -0.41 0.00 0.00 54.97 56.91 2qpw s GLU 6 Cb 0.19 -3.08 -0.10 0.00 -1.78 0.00 0.00 34.13 29.37 2qpw s GLU 6 CO 0.53 -0.44 1.25 -2.30 -0.49 0.00 0.00 175.26 173.81 2qpw n PRO 7 N 1.99 1.86 -3.51 0.39 -0.02 -1.26 -5.00 135.00 129.44 2qpw n PRO 7 Ca 0.06 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 2qpw n PRO 7 Cb 0.40 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 2qpw n PRO 7 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qpw s VAL 8 N -1.21 5.17 -0.14 -1.45 -7.23 -1.26 -5.01 120.40 109.27 2qpw s VAL 8 Ca 0.62 0.73 0.16 0.00 -1.81 0.00 0.00 61.98 61.67 2qpw s VAL 8 Cb -0.51 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 32.71 2qpw s VAL 8 CO 0.57 0.49 1.14 0.00 -0.31 0.00 0.00 175.10 176.99 2qpw h ALA 9 N 5.59 0.65 -2.91 1.32 0.00 -2.04 -3.46 119.26 118.41 2qpw h ALA 9 Ca -0.47 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 53.66 2qpw h ALA 9 Cb 1.20 0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.82 2qpw h ALA 9 CO 0.67 0.75 -0.34 0.00 0.00 0.00 0.00 179.25 180.34 2qpw s ALA 10 N -2.95 -0.82 -0.03 0.00 0.00 -1.26 -5.16 121.76 111.53 2qpw s ALA 10 Ca 0.01 1.00 0.03 0.00 0.00 0.00 0.00 51.96 52.99 2qpw s ALA 10 Cb 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2qpw s ALA 10 CO 0.78 -0.17 -0.11 0.99 0.00 0.00 0.00 175.76 177.25 2qpw s THR 11 N 0.36 0.98 -0.23 0.00 2.01 -1.26 -4.94 115.64 112.56 2qpw s THR 11 Ca -0.01 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.47 2qpw s THR 11 Cb -0.03 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2qpw s THR 11 CO -0.01 0.30 0.01 -0.70 -0.69 0.00 0.00 174.62 173.52 2qpw s GLU 12 N 0.18 3.51 0.43 4.92 2.12 0.19 -5.04 118.70 125.01 2qpw s GLU 12 Ca -0.04 -0.56 0.07 0.00 0.36 0.00 0.00 54.97 54.81 2qpw s GLU 12 Cb -0.10 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2qpw s GLU 12 CO 0.01 -0.17 0.30 0.95 -0.54 0.00 0.00 175.26 175.81 2qpw s THR 13 N 1.48 2.37 0.43 -1.70 -4.23 -1.26 -3.87 115.64 108.86 2qpw s THR 13 Ca 0.06 -1.51 0.11 0.00 -1.18 0.00 0.00 61.69 59.17 2qpw s THR 13 Cb -0.15 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 71.11 2qpw s THR 13 CO 0.00 0.00 2.03 -0.07 -0.54 0.00 0.00 174.62 176.04 2qpw h LEU 14 N 1.16 0.37 -2.13 4.79 3.38 -1.99 -1.91 115.31 118.98 2qpw h LEU 14 Ca -0.41 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.62 2qpw h LEU 14 Cb 1.27 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2qpw h LEU 14 CO 0.63 0.25 0.20 0.00 0.09 0.00 0.00 178.44 179.60 2qpw h ALA 15 N 1.74 2.01 -0.06 1.53 0.00 -2.03 -2.60 119.26 119.84 2qpw h ALA 15 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qpw h ALA 15 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qpw h ALA 15 CO -0.05 -0.31 0.00 -0.85 0.00 0.00 0.00 179.25 178.04 2qpw n GLU 16 N -4.10 1.79 -2.56 0.00 0.00 -0.72 -4.91 120.64 110.14 2qpw n GLU 16 Ca 0.03 -1.16 -0.41 0.00 0.00 0.00 0.00 57.16 55.62 2qpw n GLU 16 Cb 0.34 -1.46 -0.04 0.00 0.00 0.00 0.00 31.44 30.27 2qpw n GLU 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2qpw s VAL 17 N -1.94 3.89 0.33 3.84 1.01 -0.98 -4.98 120.40 121.57 2qpw s VAL 17 Ca 0.36 1.71 -0.28 0.00 0.00 0.00 0.00 61.98 63.76 2qpw s VAL 17 Cb 0.20 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.37 2qpw s VAL 17 CO 0.31 0.33 1.31 -2.65 0.00 0.00 0.00 175.10 174.40 2qpw n PRO 18 N 2.05 2.15 -0.28 2.72 -0.02 -1.26 -4.90 135.00 135.45 2qpw n PRO 18 Ca 0.01 0.75 0.02 0.00 -2.02 0.00 0.00 63.50 62.27 2qpw n PRO 18 Cb 0.46 -2.35 0.16 0.00 -0.02 0.00 0.00 33.50 31.75 2qpw n PRO 18 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qpw h GLU 19 N 2.72 0.74 0.00 -0.52 4.39 -1.96 -1.79 114.58 118.15 2qpw h GLU 19 Ca -0.46 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.16 2qpw h GLU 19 Cb 1.28 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2qpw h GLU 19 CO 0.64 0.49 -0.16 1.12 -1.16 0.00 0.00 179.01 179.93 2qpw h HIS 20 N 0.76 0.00 -0.24 4.33 2.07 -2.00 -2.50 115.15 117.56 2qpw h HIS 20 Ca 0.38 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.80 2qpw h HIS 20 Cb 0.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.32 2qpw h HIS 20 CO -0.07 0.16 -0.26 0.28 -3.07 0.00 0.00 177.93 174.97 2qpw h VAL 21 N 0.00 1.32 -0.64 6.12 2.07 -1.69 -3.05 116.25 120.37 2qpw h VAL 21 Ca -0.00 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.10 2qpw h VAL 21 Cb 0.54 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2qpw h VAL 21 CO 0.02 0.45 0.43 -0.07 0.02 0.00 0.00 177.57 178.42 2qpw h LEU 22 N 0.32 0.72 -1.02 2.57 3.38 -1.27 -2.59 115.31 117.42 2qpw h LEU 22 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qpw h LEU 22 Cb 0.83 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2qpw h LEU 22 CO 0.06 0.51 0.00 0.03 0.09 0.00 0.00 178.44 179.14 2qpw h ARG 23 N 0.84 0.00 -0.01 1.13 3.08 -1.40 -3.25 114.38 114.78 2qpw h ARG 23 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2qpw h ARG 23 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2qpw h ARG 23 CO -0.06 0.00 -0.18 0.41 -1.07 0.00 0.00 179.97 179.07 2qpw n GLY 24 N 0.24 -0.76 3.77 0.04 0.00 -0.98 -4.96 105.19 102.54 2qpw n GLY 24 Ca 0.02 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 2qpw n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qpw s LEU 25 N -2.48 4.14 0.79 0.99 1.02 -1.23 -4.99 118.68 116.92 2qpw s LEU 25 Ca 0.27 2.24 -0.12 0.00 0.02 0.00 0.00 54.13 56.54 2qpw s LEU 25 Cb 0.20 -4.11 0.07 0.00 0.02 0.00 0.00 46.19 42.36 2qpw s LEU 25 CO 0.49 -0.66 1.14 -2.16 0.02 0.00 0.00 176.35 175.18 2qpw s PRO 26 N -2.43 2.12 0.30 1.29 0.04 -1.26 -4.97 135.00 130.08 2qpw s PRO 26 Ca 0.58 0.32 0.02 0.00 0.04 0.00 0.00 61.00 61.97 2qpw s PRO 26 Cb -0.27 -1.95 0.58 0.00 0.04 0.00 0.00 34.50 32.90 2qpw s PRO 26 CO 0.34 -1.53 1.87 1.49 0.04 0.00 0.00 177.00 179.21 2qpw h GLU 27 N -1.01 0.94 0.00 4.56 4.81 -2.02 -2.98 114.58 118.88 2qpw h GLU 27 Ca -0.47 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2qpw h GLU 27 Cb 1.30 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2qpw h GLU 27 CO 0.64 0.62 0.00 0.93 -0.73 0.00 0.00 179.01 180.47 2qpw h GLU 28 N 0.97 0.00 -5.17 1.92 3.07 -1.95 -3.44 114.58 109.98 2qpw h GLU 28 Ca 0.45 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.96 2qpw h GLU 28 Cb 0.42 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.18 2qpw h GLU 28 CO -0.21 0.00 -0.72 0.14 -1.40 0.00 0.00 179.01 176.82 2qpw s VAL 29 N -3.84 1.26 0.05 3.13 -7.23 -1.13 -0.77 120.40 111.87 2qpw s VAL 29 Ca -0.03 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 2qpw s VAL 29 Cb 0.10 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2qpw s VAL 29 CO 0.33 -0.68 0.06 0.00 -0.31 0.00 0.00 175.10 174.50 2qpw s ARG 30 N -3.57 0.61 -0.00 4.82 1.70 -0.47 -4.75 118.95 117.29 2qpw s ARG 30 Ca 0.16 -0.90 -0.18 0.00 -0.47 0.00 0.00 55.73 54.34 2qpw s ARG 30 Cb 0.01 0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 34.56 2qpw s ARG 30 CO 0.02 -0.15 0.51 -0.51 -1.08 0.00 0.00 175.30 174.09 2qpw s LEU 31 N -2.40 4.44 -0.17 -1.89 1.43 -1.26 -1.30 118.68 117.53 2qpw s LEU 31 Ca -0.01 1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.87 2qpw s LEU 31 Cb 0.02 -2.77 0.11 0.00 0.03 0.00 0.00 46.19 43.58 2qpw s LEU 31 CO -0.07 0.20 0.94 0.12 0.23 0.00 0.00 176.35 177.77 2qpw s PHE 32 N -0.56 -0.46 0.12 0.29 5.36 -0.82 -4.99 117.98 116.93 2qpw s PHE 32 Ca 0.27 0.89 -0.33 0.00 -0.96 0.00 0.00 56.93 56.80 2qpw s PHE 32 Cb -0.18 0.42 -0.18 0.00 -0.34 0.00 0.00 43.02 42.74 2qpw s PHE 32 CO 0.15 -0.36 0.83 -2.30 -1.46 0.00 0.00 175.22 172.08 2qpw n PRO 33 N 1.17 0.20 -2.30 10.12 -0.02 -1.26 -0.97 135.00 141.95 2qpw n PRO 33 Ca -0.12 0.07 -0.39 0.00 -2.02 0.00 0.00 63.50 61.04 2qpw n PRO 33 Cb 0.57 -1.34 -0.02 0.00 -0.02 0.00 0.00 33.50 32.69 2qpw n PRO 33 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qpw s SER 34 N -0.47 6.67 0.14 2.55 0.15 -0.14 -4.55 113.70 118.05 2qpw s SER 34 Ca 0.75 2.38 0.11 0.00 0.70 0.00 0.00 55.95 59.89 2qpw s SER 34 Cb -1.04 -2.62 -0.13 0.00 -1.71 0.00 0.00 66.02 60.52 2qpw s SER 34 CO 0.56 -0.58 1.22 0.00 1.20 0.00 0.00 173.24 175.65 2qpw h ALA 35 N 2.91 0.51 -0.71 5.45 0.00 -1.90 -2.88 119.26 122.63 2qpw h ALA 35 Ca -0.48 -0.84 -0.07 0.00 0.00 0.00 0.00 54.91 53.52 2qpw h ALA 35 Cb 1.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2qpw h ALA 35 CO 0.63 1.08 0.18 0.28 0.00 0.00 0.00 179.25 181.43 2qpw h VAL 36 N 0.00 1.26 -2.27 0.00 2.07 -1.98 -3.40 116.25 111.94 2qpw h VAL 36 Ca -0.05 -0.95 -0.42 0.00 0.82 0.00 0.00 66.70 66.09 2qpw h VAL 36 Cb 1.67 0.52 -0.35 0.00 -1.52 0.00 0.00 31.29 31.61 2qpw h VAL 36 CO 0.10 0.37 -0.72 -0.62 0.02 0.00 0.00 177.57 176.72 2qpw s ASP 37 N -6.46 2.05 0.00 0.57 -1.08 -1.25 -4.99 116.67 105.51 2qpw s ASP 37 Ca -0.12 -1.38 0.17 0.00 -0.52 0.00 0.00 52.55 50.70 2qpw s ASP 37 Cb 0.15 0.22 0.91 0.00 -1.46 0.00 0.00 42.92 42.73 2qpw s ASP 37 CO 0.84 -0.34 1.46 2.29 0.52 0.00 0.00 175.17 179.94 2qpw n LYS 38 N 4.71 0.36 0.00 4.34 2.85 -1.09 -1.79 118.16 127.55 2qpw n LYS 38 Ca 0.04 0.08 0.15 0.00 -1.05 0.00 0.00 58.31 57.53 2qpw n LYS 38 Cb 0.43 -1.50 0.68 0.00 -0.65 0.00 0.00 35.03 34.00 2qpw n LYS 38 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qpw n THR 39 N -1.17 0.00 -4.35 0.58 -2.24 -1.26 -4.68 114.28 101.16 2qpw n THR 39 Ca 0.10 -0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.66 2qpw n THR 39 Cb 0.10 -0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.00 2qpw n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qpw s ARG 40 N -2.45 1.35 0.23 -0.78 1.70 -0.74 -0.64 118.95 117.62 2qpw s ARG 40 Ca 0.31 -1.65 -0.27 0.00 -0.47 0.00 0.00 55.73 53.65 2qpw s ARG 40 Cb 0.20 -0.92 -0.09 0.00 -0.57 0.00 0.00 34.95 33.58 2qpw s ARG 40 CO 0.46 0.05 0.87 0.42 -1.08 0.00 0.00 175.30 176.02 2qpw s ILE 41 N -3.16 4.24 0.16 4.99 -1.09 -1.25 -0.97 121.20 124.12 2qpw s ILE 41 Ca 0.25 1.85 0.01 0.00 -2.23 0.00 0.00 60.65 60.53 2qpw s ILE 41 Cb 0.03 -4.18 -0.00 0.00 -1.58 0.00 0.00 42.46 36.73 2qpw s ILE 41 CO 0.08 0.43 0.04 0.61 -1.23 0.00 0.00 174.94 174.87 2qpw n GLY 42 N 1.32 3.82 3.17 6.18 0.00 -0.14 -4.62 105.19 114.92 2qpw n GLY 42 Ca -0.03 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 2qpw n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qpw s VAL 43 N -2.02 1.60 0.03 1.61 1.01 -1.25 -1.94 120.40 119.44 2qpw s VAL 43 Ca 0.06 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.27 2qpw s VAL 43 Cb 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 2qpw s VAL 43 CO 0.04 0.45 -0.13 0.26 0.00 0.00 0.00 175.10 175.73 2qpw s TRP 44 N -0.04 1.15 0.28 5.22 0.52 -0.42 -0.82 118.94 124.84 2qpw s TRP 44 Ca -0.03 -0.33 -0.29 0.00 0.02 0.00 0.00 56.10 55.47 2qpw s TRP 44 Cb -0.12 -0.69 -0.09 0.00 -1.15 0.00 0.00 33.47 31.41 2qpw s TRP 44 CO 0.02 0.02 1.07 0.00 0.02 0.00 0.00 176.95 178.09 2qpw s ALA 45 N -0.76 3.38 -0.65 0.98 0.00 -0.57 -1.36 121.76 122.76 2qpw s ALA 45 Ca 0.01 0.85 0.18 0.00 0.00 0.00 0.00 51.96 53.00 2qpw s ALA 45 Cb -0.07 -3.31 -0.22 0.00 0.00 0.00 0.00 23.12 19.52 2qpw s ALA 45 CO 0.01 -0.11 0.68 0.25 0.00 0.00 0.00 175.76 176.59 2qpw n THR 46 N 1.15 0.00 -3.77 0.00 -2.24 0.05 -1.46 114.28 108.01 2qpw n THR 46 Ca -0.01 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 2qpw n THR 46 Cb 0.45 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 2qpw n THR 46 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2qpw s LYS 47 N -2.85 1.64 0.28 -0.78 -2.85 -1.26 -4.82 119.74 109.11 2qpw s LYS 47 Ca 0.04 -0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 53.84 2qpw s LYS 47 Cb 0.13 0.59 -0.12 0.00 -2.06 0.00 0.00 37.83 36.38 2qpw s LYS 47 CO 0.75 -0.75 1.63 -2.14 0.10 0.00 0.00 175.35 174.94 2qpw s PRO 48 N -3.84 4.11 -0.16 1.78 0.02 -1.26 -4.13 135.00 131.52 2qpw s PRO 48 Ca 0.09 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.72 2qpw s PRO 48 Cb -0.05 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2qpw s PRO 48 CO 0.03 -0.67 -0.16 0.42 -0.33 0.00 0.00 177.00 176.28 2qpw s ILE 49 N 0.17 2.50 0.63 2.83 1.01 -0.49 -5.00 121.20 122.86 2qpw s ILE 49 Ca 0.65 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 60.32 2qpw s ILE 49 Cb -0.49 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 2qpw s ILE 49 CO 0.46 0.52 1.16 -0.76 0.00 0.00 0.00 174.94 176.32 2qpw s LEU 50 N 0.94 3.54 0.44 2.97 1.43 -1.26 -1.39 118.68 125.34 2qpw s LEU 50 Ca -0.03 2.22 -0.26 0.00 -1.03 0.00 0.00 54.13 55.03 2qpw s LEU 50 Cb -0.15 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.40 2qpw s LEU 50 CO -0.03 -1.65 1.45 -0.75 0.23 0.00 0.00 176.35 175.61 2qpw s LYS 51 N -3.66 3.77 0.00 1.70 2.20 -1.26 -2.96 119.74 119.53 2qpw s LYS 51 Ca 0.73 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.82 2qpw s LYS 51 Cb -0.26 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2qpw s LYS 51 CO 0.36 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 2qpw n GLY 52 N 0.54 1.14 3.72 5.54 0.00 -0.69 -4.99 105.19 110.45 2qpw n GLY 52 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2qpw n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qpw s LYS 53 N -0.27 4.30 -0.16 1.61 2.47 -1.15 -4.67 119.74 121.86 2qpw s LYS 53 Ca 0.00 2.16 -0.07 0.00 -1.56 0.00 0.00 55.97 56.50 2qpw s LYS 53 Cb 0.00 -3.21 -0.04 0.00 -1.46 0.00 0.00 37.83 33.12 2qpw s LYS 53 CO 0.00 -0.46 0.10 0.21 0.16 0.00 0.00 175.35 175.36 2qpw s LYS 54 N 0.87 3.75 0.11 4.03 2.20 -1.26 -1.51 119.74 127.93 2qpw s LYS 54 Ca 0.65 -0.25 0.09 0.00 -0.36 0.00 0.00 55.97 56.10 2qpw s LYS 54 Cb -0.39 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2qpw s LYS 54 CO 0.32 0.49 -0.22 -0.06 -0.36 0.00 0.00 175.35 175.52 2qpw s PHE 55 N -0.22 1.89 -3.35 4.03 0.40 0.48 -4.99 117.98 116.22 2qpw s PHE 55 Ca 0.09 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2qpw s PHE 55 Cb -0.12 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.38 2qpw s PHE 55 CO 0.01 0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.57 2qpw n GLY 56 N 1.07 0.74 3.83 4.36 0.00 -1.26 -1.09 105.19 112.84 2qpw n GLY 56 Ca -0.19 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.46 2qpw n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qpw s PRO 57 N -1.34 3.81 0.12 1.61 0.04 -1.26 -5.07 135.00 132.91 2qpw s PRO 57 Ca 0.00 1.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.76 2qpw s PRO 57 Cb 0.00 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 2qpw s PRO 57 CO 0.00 -0.39 1.46 0.12 0.04 0.00 0.00 177.00 178.23 2qpw s PHE 58 N -2.55 3.11 0.21 0.56 5.36 0.51 -4.95 117.98 120.24 2qpw s PHE 58 Ca 0.60 0.81 0.09 0.00 -0.96 0.00 0.00 56.93 57.47 2qpw s PHE 58 Cb -0.11 -3.77 -0.05 0.00 -0.34 0.00 0.00 43.02 38.75 2qpw s PHE 58 CO 0.31 -2.78 -0.16 0.14 -1.46 0.00 0.00 175.22 171.27 2qpw s VAL 59 N 1.30 1.88 -0.07 3.12 -7.23 -1.26 -4.42 120.40 113.72 2qpw s VAL 59 Ca 0.67 -2.17 -0.32 0.00 -1.81 0.00 0.00 61.98 58.35 2qpw s VAL 59 Cb -0.39 -2.04 0.13 0.00 0.56 0.00 0.00 36.38 34.65 2qpw s VAL 59 CO 0.30 -0.50 1.38 -0.83 -0.31 0.00 0.00 175.10 175.15 2qpw s GLY 60 N -3.19 -0.44 0.28 2.32 0.00 -1.23 -4.30 107.32 100.76 2qpw s GLY 60 Ca 0.22 0.79 -0.29 0.00 0.00 0.00 0.00 44.72 45.43 2qpw s GLY 60 CO 0.08 0.82 1.31 0.99 0.00 0.00 0.00 173.10 176.30 2qpw s ASP 61 N -3.09 6.83 -0.20 1.64 1.01 -0.44 -4.40 116.67 118.02 2qpw s ASP 61 Ca 0.16 2.58 -0.29 0.00 0.71 0.00 0.00 52.55 55.71 2qpw s ASP 61 Cb 0.06 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2qpw s ASP 61 CO -0.05 -0.52 1.06 -0.54 0.21 0.00 0.00 175.17 175.32 2qpw s LYS 62 N -1.10 4.29 0.04 8.23 1.02 -1.26 -0.86 119.74 130.10 2qpw s LYS 62 Ca 0.52 1.40 0.00 0.00 0.02 0.00 0.00 55.97 57.91 2qpw s LYS 62 Cb -0.39 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.26 2qpw s LYS 62 CO 0.47 -0.58 -0.04 0.15 -0.92 0.00 0.00 175.35 174.43 2qpw s LYS 63 N 3.00 0.46 0.59 1.68 1.02 -0.32 -4.97 119.74 121.20 2qpw s LYS 63 Ca 0.46 -0.87 -0.17 0.00 0.02 0.00 0.00 55.97 55.41 2qpw s LYS 63 Cb -0.16 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 2qpw s LYS 63 CO 0.09 -0.06 1.09 0.15 -0.92 0.00 0.00 175.35 175.71 2qpw s LYS 64 N -2.42 3.21 0.36 1.68 1.02 -1.26 -0.38 119.74 121.95 2qpw s LYS 64 Ca -0.06 1.38 0.12 0.00 0.02 0.00 0.00 55.97 57.43 2qpw s LYS 64 Cb -0.03 -2.01 0.93 0.00 -0.52 0.00 0.00 37.83 36.20 2qpw s LYS 64 CO -0.04 -0.92 1.79 -0.09 -0.92 0.00 0.00 175.35 175.17 2qpw h ARG 65 N 0.62 0.55 0.00 1.68 9.65 -1.95 -0.33 114.38 124.60 2qpw h ARG 65 Ca -0.48 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 2qpw h ARG 65 Cb 1.24 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 2qpw h ARG 65 CO 0.56 0.36 0.00 -1.13 2.80 0.00 0.00 179.97 182.57 2qpw n SER 66 N -4.67 0.12 -0.00 -3.80 3.41 -1.26 -2.66 113.62 104.76 2qpw n SER 66 Ca 0.23 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.47 2qpw n SER 66 Cb 0.69 -0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 2qpw n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qpw n GLN 67 N -1.63 0.49 -3.51 4.33 6.02 -0.14 -4.96 117.38 117.97 2qpw n GLN 67 Ca 0.03 -0.08 -0.37 0.00 -0.01 0.00 0.00 57.00 56.56 2qpw n GLN 67 Cb 0.15 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 2qpw n GLN 67 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2qpw s VAL 68 N -3.13 5.04 -1.03 5.09 1.01 -1.09 -5.00 120.40 121.29 2qpw s VAL 68 Ca 0.01 0.77 0.09 0.00 0.00 0.00 0.00 61.98 62.86 2qpw s VAL 68 Cb 0.14 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.87 2qpw s VAL 68 CO 0.84 0.53 0.71 2.29 0.00 0.00 0.00 175.10 179.47 2qpw n LYS 69 N 1.66 1.13 -4.06 2.72 -0.00 -1.26 -5.02 118.16 113.33 2qpw n LYS 69 Ca -0.13 -0.85 -0.10 0.00 -0.00 0.00 0.00 58.31 57.23 2qpw n LYS 69 Cb 0.52 -1.12 -0.08 0.00 -0.00 0.00 0.00 35.03 34.35 2qpw n LYS 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2qpw s ASN 70 N -1.00 0.12 -0.20 -5.58 2.20 -1.26 -5.05 114.94 104.16 2qpw s ASN 70 Ca 0.09 -1.06 0.14 0.00 -0.94 0.00 0.00 52.86 51.10 2qpw s ASN 70 Cb 0.08 0.41 0.45 0.00 -2.00 0.00 0.00 41.25 40.18 2qpw s ASN 70 CO 0.17 -0.87 1.34 0.59 -2.94 0.00 0.00 177.10 175.38 2qpw n ASN 71 N -0.21 2.79 -0.13 3.54 3.02 -1.26 -4.75 115.26 118.26 2qpw n ASN 71 Ca -0.05 -3.37 -0.27 0.00 -0.03 0.00 0.00 54.58 50.87 2qpw n ASN 71 Cb 0.64 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 39.17 2qpw n ASN 71 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2qpw n VAL 72 N -1.01 1.44 -1.34 2.41 0.31 -1.26 -4.66 118.33 114.21 2qpw n VAL 72 Ca 0.23 -0.39 -0.24 0.00 -0.01 0.00 0.00 64.34 63.93 2qpw n VAL 72 Cb 0.84 -1.79 0.15 0.00 -0.91 0.00 0.00 33.84 32.12 2qpw n VAL 72 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2qpw n TYR 73 N -4.05 2.78 -3.76 3.52 4.01 -1.26 -4.97 117.16 113.42 2qpw n TYR 73 Ca -0.51 -2.17 -0.11 0.00 -0.16 0.00 0.00 57.90 54.95 2qpw n TYR 73 Cb 0.88 -0.99 -0.07 0.00 -0.31 0.00 0.00 39.34 38.85 2qpw n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qpw s MET 74 N -3.46 0.79 0.14 -0.72 0.23 -1.26 -0.69 119.30 114.33 2qpw s MET 74 Ca 0.57 -0.51 0.05 0.00 -1.03 0.00 0.00 55.69 54.77 2qpw s MET 74 Cb 0.47 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 34.07 2qpw s MET 74 CO 0.05 -0.25 -0.12 -1.58 -2.03 0.00 0.00 175.02 171.09 2qpw s TRP 75 N -2.53 1.36 -0.16 3.16 0.52 -1.03 -4.97 118.94 115.30 2qpw s TRP 75 Ca -0.05 -0.64 -0.05 0.00 0.02 0.00 0.00 56.10 55.37 2qpw s TRP 75 Cb -0.01 -0.69 -0.04 0.00 -1.15 0.00 0.00 33.47 31.58 2qpw s TRP 75 CO -0.03 0.14 0.03 -1.21 0.02 0.00 0.00 176.95 175.90 2qpw s GLU 76 N -3.22 3.71 -0.01 4.98 2.02 -1.26 -0.26 118.70 124.65 2qpw s GLU 76 Ca 0.13 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.74 2qpw s GLU 76 Cb -0.01 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.16 2qpw s GLU 76 CO 0.02 0.36 0.00 0.08 0.02 0.00 0.00 175.26 175.75 2qpw s VAL 77 N 0.09 0.04 -0.01 2.63 1.01 -0.35 -4.98 120.40 118.84 2qpw s VAL 77 Ca 0.03 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 2qpw s VAL 77 Cb -0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 2qpw s VAL 77 CO 0.01 0.05 0.62 -0.47 0.00 0.00 0.00 175.10 175.31 2qpw s TYR 78 N 0.33 3.67 -0.18 5.22 5.04 -1.26 -1.53 117.35 128.63 2qpw s TYR 78 Ca -0.03 1.21 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 2qpw s TYR 78 Cb -0.04 -2.65 0.02 0.00 0.35 0.00 0.00 41.96 39.64 2qpw s TYR 78 CO -0.01 0.31 -0.19 0.71 -1.34 0.00 0.00 175.55 175.03 2qpw s TYR 79 N -0.03 2.77 0.11 4.97 2.02 -0.37 -4.98 117.35 121.83 2qpw s TYR 79 Ca 0.32 -1.67 -0.35 0.00 -0.37 0.00 0.00 57.07 55.00 2qpw s TYR 79 Cb -0.18 -1.90 -0.14 0.00 -0.40 0.00 0.00 41.96 39.34 2qpw s TYR 79 CO 0.17 -0.81 1.54 -2.30 -1.57 0.00 0.00 175.55 172.59 2qpw n PRO 80 N 4.62 1.86 -0.88 -1.71 -0.02 -1.26 -0.87 135.00 136.74 2qpw n PRO 80 Ca -0.20 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2qpw n PRO 80 Cb 0.49 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2qpw n PRO 80 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qpw n ASN 81 N 3.49 -1.84 -0.03 2.55 3.02 -1.26 -4.70 115.26 116.50 2qpw n ASN 81 Ca 0.18 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.70 2qpw n ASN 81 Cb 0.26 -1.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.01 2qpw n ASN 81 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2qpw n LEU 82 N 0.00 1.86 0.00 3.41 7.94 -0.56 -5.16 117.00 124.49 2qpw n LEU 82 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2qpw n LEU 82 Cb 0.09 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2qpw n LEU 82 CO 0.00 0.41 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 2qpw n GLY 83 N 3.04 -0.71 3.68 -3.96 0.00 -0.05 -4.95 105.19 102.23 2qpw n GLY 83 Ca -0.09 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 2qpw n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qpw s TRP 84 N 0.00 3.10 0.08 1.61 0.52 -1.26 -1.24 118.94 121.75 2qpw s TRP 84 Ca 0.00 1.17 0.09 0.00 0.02 0.00 0.00 56.10 57.37 2qpw s TRP 84 Cb 0.00 -3.44 -0.03 0.00 -1.15 0.00 0.00 33.47 28.85 2qpw s TRP 84 CO 0.00 -1.39 -0.23 -1.64 0.02 0.00 0.00 176.95 173.72 2qpw s MET 85 N 2.59 1.37 -0.01 4.98 -1.94 -0.58 -4.66 119.30 121.05 2qpw s MET 85 Ca 0.55 -1.11 -0.18 0.00 -1.71 0.00 0.00 55.69 53.24 2qpw s MET 85 Cb -0.23 -1.61 -0.06 0.00 2.01 0.00 0.00 34.83 34.94 2qpw s MET 85 CO 0.19 0.40 0.52 0.00 -0.01 0.00 0.00 175.02 176.12 2qpw s ILE 87 N -0.49 4.68 -0.29 0.00 -1.09 0.63 -1.18 121.20 123.47 2qpw s ILE 87 Ca 0.28 -1.38 -0.06 0.00 -2.23 0.00 0.00 60.65 57.26 2qpw s ILE 87 Cb -0.18 -3.90 0.02 0.00 -1.58 0.00 0.00 42.46 36.82 2qpw s ILE 87 CO 0.15 -0.63 0.06 -0.62 -1.23 0.00 0.00 174.94 172.67 2qpw s ASP 88 N 2.59 5.02 -0.19 3.58 2.15 -0.03 -2.45 116.67 127.34 2qpw s ASP 88 Ca 0.04 -0.80 0.16 0.00 0.43 0.00 0.00 52.55 52.38 2qpw s ASP 88 Cb -0.25 -1.84 0.57 0.00 -0.30 0.00 0.00 42.92 41.09 2qpw s ASP 88 CO 0.03 -0.20 1.46 0.00 -0.17 0.00 0.00 175.17 176.29 2qpw n ALA 89 N 4.82 3.12 -0.28 3.66 0.00 0.13 -1.32 120.51 130.64 2qpw n ALA 89 Ca -0.14 -2.28 0.10 0.00 0.00 0.00 0.00 53.44 51.11 2qpw n ALA 89 Cb 0.47 -0.76 0.25 0.00 0.00 0.00 0.00 19.45 19.41 2qpw n ALA 89 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qpw h THR 90 N 2.05 0.49 -3.58 0.00 2.02 -1.93 -3.31 112.91 108.65 2qpw h THR 90 Ca 0.00 -0.12 -0.59 0.00 0.77 0.00 0.00 66.41 66.47 2qpw h THR 90 Cb 1.51 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.94 2qpw h THR 90 CO 0.26 0.06 0.64 -0.62 0.37 0.00 0.00 175.52 176.23 2qpw s ASP 91 N -5.21 6.61 0.56 4.18 -1.08 -1.26 -4.95 116.67 115.51 2qpw s ASP 91 Ca -0.12 0.40 0.36 0.00 -0.52 0.00 0.00 52.55 52.67 2qpw s ASP 91 Cb 0.24 -2.47 1.68 0.00 -1.46 0.00 0.00 42.92 40.90 2qpw s ASP 91 CO 0.77 -0.98 2.08 1.55 0.52 0.00 0.00 175.17 179.10 2qpw h PRO 92 N 8.80 0.00 0.00 4.34 0.13 -1.96 -1.03 132.00 142.28 2qpw h PRO 92 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2qpw h PRO 92 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2qpw h PRO 92 CO 1.02 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.72 2qpw h GLU 93 N 0.00 0.00 -0.02 0.86 4.39 -1.92 -2.53 114.58 115.36 2qpw h GLU 93 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qpw h GLU 93 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2qpw h GLU 93 CO 0.00 0.00 -0.31 1.63 -1.16 0.00 0.00 179.01 179.17 2qpw n LYS 94 N -2.70 1.56 -1.13 2.33 4.76 -0.39 -5.01 118.16 117.58 2qpw n LYS 94 Ca -0.02 -1.19 0.00 0.00 -2.87 0.00 0.00 58.31 54.23 2qpw n LYS 94 Cb 0.07 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2qpw n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qpw n GLY 95 N 1.30 5.48 0.00 0.72 0.00 -0.95 -3.50 105.19 108.24 2qpw n GLY 95 Ca 0.10 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2qpw n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qpw n ASN 96 N -0.84 0.77 0.29 1.61 0.23 -1.26 -4.94 115.26 111.11 2qpw n ASN 96 Ca 0.00 -0.39 0.16 0.00 -0.53 0.00 0.00 54.58 53.82 2qpw n ASN 96 Cb 0.00 0.00 0.86 0.00 -2.08 0.00 0.00 39.78 38.56 2qpw n ASN 96 CO 0.00 0.00 0.00 4.11 -0.93 0.00 0.00 177.26 180.44 2qpw h TRP 97 N 0.39 0.00 -0.01 -2.53 5.08 -1.95 -2.11 115.95 114.83 2qpw h TRP 97 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2qpw h TRP 97 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2qpw h TRP 97 CO 0.00 0.06 0.01 -0.07 -1.28 0.00 0.00 178.44 177.16 2qpw h LEU 98 N 0.00 0.00 -1.27 0.11 4.07 -1.96 -1.76 115.31 114.50 2qpw h LEU 98 Ca -0.00 0.00 0.19 0.00 0.08 0.00 0.00 57.88 58.15 2qpw h LEU 98 Cb 0.27 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.92 2qpw h LEU 98 CO 0.01 0.00 0.61 -0.09 -1.08 0.00 0.00 178.44 177.89 2qpw h ARG 99 N 0.00 0.58 -0.00 1.13 2.43 -1.76 -2.12 114.38 114.64 2qpw h ARG 99 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2qpw h ARG 99 Cb 0.03 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2qpw h ARG 99 CO -0.00 0.38 -0.02 0.66 -1.51 0.00 0.00 179.97 179.48 2qpw n TYR 100 N -4.62 0.00 -2.03 2.20 4.01 -0.66 -4.76 117.16 111.30 2qpw n TYR 100 Ca 0.21 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.52 2qpw n TYR 100 Cb 0.62 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 2qpw n TYR 100 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qpw s VAL 101 N -2.83 3.56 0.79 -0.72 1.01 -0.80 -3.77 120.40 117.63 2qpw s VAL 101 Ca 0.20 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.67 2qpw s VAL 101 Cb 0.19 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 33.01 2qpw s VAL 101 CO 0.51 -0.32 1.09 0.20 0.00 0.00 0.00 175.10 176.58 2qpw s ASN 102 N 5.12 4.38 0.04 3.32 -0.87 -1.26 -4.78 114.94 120.90 2qpw s ASN 102 Ca 0.76 1.78 -0.18 0.00 -1.57 0.00 0.00 52.86 53.65 2qpw s ASN 102 Cb -0.25 -2.47 -0.06 0.00 -0.02 0.00 0.00 41.25 38.45 2qpw s ASN 102 CO 0.32 -2.11 0.51 0.26 -2.57 0.00 0.00 177.10 173.51 2qpw s TRP 103 N -2.91 3.78 0.53 2.20 0.52 -1.26 -1.77 118.94 120.02 2qpw s TRP 103 Ca 0.61 1.17 -0.21 0.00 0.02 0.00 0.00 56.10 57.69 2qpw s TRP 103 Cb -0.17 -2.42 -0.05 0.00 -1.15 0.00 0.00 33.47 29.67 2qpw s TRP 103 CO 0.56 0.60 1.24 0.00 0.02 0.00 0.00 176.95 179.37 2qpw s ALA 104 N -1.07 2.80 -0.41 0.98 0.00 -0.22 -4.85 121.76 118.99 2qpw s ALA 104 Ca 0.27 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 2qpw s ALA 104 Cb -0.18 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.50 2qpw s ALA 104 CO 0.17 -1.03 0.96 0.00 0.00 0.00 0.00 175.76 175.86 2qpw n SER 106 N 7.06 -3.50 0.00 0.00 7.64 -1.26 -1.23 113.62 122.33 2qpw n SER 106 Ca 0.08 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2qpw n SER 106 Cb 0.48 -2.93 0.00 0.00 -1.01 0.00 0.00 64.21 60.75 2qpw n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qpw n GLY 107 N -1.02 0.84 3.66 0.23 0.00 -1.25 -4.99 105.19 102.66 2qpw n GLY 107 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2qpw n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qpw s GLU 108 N -0.14 4.20 -1.30 1.61 8.01 -0.36 -2.02 118.70 128.70 2qpw s GLU 108 Ca 0.00 2.02 0.00 0.00 0.01 0.00 0.00 54.97 57.00 2qpw s GLU 108 Cb 0.00 -3.88 0.00 0.00 -4.31 0.00 0.00 34.13 25.94 2qpw s GLU 108 CO 0.00 -0.78 0.00 -0.85 0.01 0.00 0.00 175.26 173.64 2qpw n GLU 109 N 6.81 -1.04 -1.92 1.61 -0.00 -1.26 -4.30 120.64 120.54 2qpw n GLU 109 Ca 0.16 0.81 -0.42 0.00 -0.00 0.00 0.00 57.16 57.71 2qpw n GLU 109 Cb 0.43 -4.99 -0.02 0.00 -0.00 0.00 0.00 31.44 26.86 2qpw n GLU 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 2qpw s GLN 110 N -4.02 4.21 0.00 3.44 0.74 -0.85 -4.71 119.66 118.48 2qpw s GLN 110 Ca 0.00 2.40 0.00 0.00 0.05 0.00 0.00 55.36 57.81 2qpw s GLN 110 Cb 0.00 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.01 2qpw s GLN 110 CO 0.00 -0.53 0.50 0.27 -0.55 0.00 0.00 175.29 174.98 2qpw n ASN 111 N 2.75 0.80 -4.16 6.67 0.23 -0.66 -4.91 115.26 115.97 2qpw n ASN 111 Ca 0.09 -1.24 -0.21 0.00 -0.53 0.00 0.00 54.58 52.69 2qpw n ASN 111 Cb 0.39 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.95 2qpw n ASN 111 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2qpw s LEU 112 N -0.24 2.16 0.09 -4.53 1.43 -0.82 -1.09 118.68 115.67 2qpw s LEU 112 Ca 0.00 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 2qpw s LEU 112 Cb 0.00 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 2qpw s LEU 112 CO 0.00 0.07 -0.12 0.72 0.23 0.00 0.00 176.35 177.25 2qpw s PHE 113 N -0.81 1.11 0.25 0.29 -0.12 -0.07 -2.70 117.98 115.94 2qpw s PHE 113 Ca 0.03 -0.56 -0.17 0.00 -0.05 0.00 0.00 56.93 56.18 2qpw s PHE 113 Cb -0.08 -0.61 -0.08 0.00 -0.63 0.00 0.00 43.02 41.61 2qpw s PHE 113 CO 0.01 0.03 0.70 -1.25 -0.05 0.00 0.00 175.22 174.66 2qpw s PRO 114 N -2.27 4.11 -0.07 1.99 0.04 -1.26 -0.84 135.00 136.69 2qpw s PRO 114 Ca 0.02 0.72 -0.08 0.00 0.04 0.00 0.00 61.00 61.69 2qpw s PRO 114 Cb -0.06 -2.71 0.02 0.00 0.04 0.00 0.00 34.50 31.79 2qpw s PRO 114 CO 0.01 0.31 0.22 -0.48 0.04 0.00 0.00 177.00 177.10 2qpw s LEU 115 N -2.39 1.19 -0.18 -3.56 2.34 -0.45 -4.86 118.68 110.76 2qpw s LEU 115 Ca 0.47 0.34 -0.13 0.00 0.06 0.00 0.00 54.13 54.86 2qpw s LEU 115 Cb -0.14 0.78 -0.05 0.00 -0.56 0.00 0.00 46.19 46.23 2qpw s LEU 115 CO 0.19 -0.14 0.26 -0.70 -1.06 0.00 0.00 176.35 174.91 2qpw s GLU 116 N -0.18 4.22 -0.03 1.48 2.12 -1.26 -0.87 118.70 124.18 2qpw s GLU 116 Ca -0.03 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.32 2qpw s GLU 116 Cb -0.03 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.94 2qpw s GLU 116 CO 0.01 0.20 -0.01 0.42 -0.54 0.00 0.00 175.26 175.34 2qpw s ILE 117 N 0.61 0.25 -1.54 -3.70 1.01 -0.45 -4.87 121.20 112.51 2qpw s ILE 117 Ca 0.14 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 2qpw s ILE 117 Cb -0.13 -0.32 0.06 0.00 0.01 0.00 0.00 42.46 42.08 2qpw s ILE 117 CO 0.03 0.16 0.48 0.59 0.00 0.00 0.00 174.94 176.20 2qpw n ASN 118 N 4.07 -1.16 -2.96 3.58 3.02 -1.26 -2.03 115.26 118.51 2qpw n ASN 118 Ca -0.26 -1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 53.01 2qpw n ASN 118 Cb 0.51 -2.70 0.03 0.00 -0.61 0.00 0.00 39.78 37.00 2qpw n ASN 118 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qpw n ARG 119 N -4.42 -4.33 -4.02 3.52 1.74 -1.26 -5.01 116.66 102.88 2qpw n ARG 119 Ca -0.17 0.88 -0.10 0.00 -0.77 0.00 0.00 57.85 57.69 2qpw n ARG 119 Cb 0.62 -5.70 -0.11 0.00 -1.02 0.00 0.00 32.46 26.24 2qpw n ARG 119 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qpw s ALA 120 N -3.13 0.33 -0.06 7.54 0.00 -0.86 -5.00 121.76 120.58 2qpw s ALA 120 Ca 0.27 -0.74 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 2qpw s ALA 120 Cb -0.12 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2qpw s ALA 120 CO 0.33 -0.14 0.80 0.42 0.00 0.00 0.00 175.76 177.18 2qpw s ILE 121 N -1.77 4.97 0.28 0.00 -1.09 -1.26 -1.34 121.20 120.98 2qpw s ILE 121 Ca -0.11 1.66 0.10 0.00 -2.23 0.00 0.00 60.65 60.08 2qpw s ILE 121 Cb -0.08 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 2qpw s ILE 121 CO -0.02 0.19 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.50 2qpw s TYR 122 N 1.06 2.54 -0.12 3.97 2.02 -0.05 -0.36 117.35 126.40 2qpw s TYR 122 Ca 0.42 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.83 2qpw s TYR 122 Cb -0.19 -1.15 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 2qpw s TYR 122 CO 0.20 0.64 -0.09 0.71 -1.57 0.00 0.00 175.55 175.45 2qpw s TYR 123 N -2.41 2.89 0.03 2.71 2.02 -0.25 -1.34 117.35 121.00 2qpw s TYR 123 Ca 0.31 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 56.73 2qpw s TYR 123 Cb -0.05 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 2qpw s TYR 123 CO 0.18 -0.02 -0.26 0.21 -1.57 0.00 0.00 175.55 174.09 2qpw s LYS 124 N 0.05 1.85 0.09 -0.62 2.20 -0.02 -0.39 119.74 122.90 2qpw s LYS 124 Ca -0.03 -1.05 -0.30 0.00 -0.36 0.00 0.00 55.97 54.23 2qpw s LYS 124 Cb -0.14 -1.96 -0.06 0.00 -1.51 0.00 0.00 37.83 34.16 2qpw s LYS 124 CO 0.04 0.52 1.13 0.95 -0.36 0.00 0.00 175.35 177.62 2qpw s THR 125 N -0.75 4.13 -0.12 3.43 -4.23 -0.57 -0.89 115.64 116.64 2qpw s THR 125 Ca 0.11 1.62 0.15 0.00 -1.18 0.00 0.00 61.69 62.39 2qpw s THR 125 Cb -0.10 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.66 2qpw s THR 125 CO 0.01 0.17 1.15 0.25 -0.54 0.00 0.00 174.62 175.67 2qpw h LEU 126 N 6.26 0.00 -7.50 4.79 5.85 -1.45 -1.84 115.31 121.42 2qpw h LEU 126 Ca -0.42 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 2qpw h LEU 126 Cb 1.21 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 2qpw h LEU 126 CO 0.77 0.57 0.00 -1.59 -0.34 0.00 0.00 178.44 177.85 2qpw s LYS 127 N -2.93 1.24 0.51 1.25 -2.85 -1.26 -4.89 119.74 110.82 2qpw s LYS 127 Ca 0.01 -0.77 -0.22 0.00 -1.00 0.00 0.00 55.97 53.98 2qpw s LYS 127 Cb 0.08 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 36.29 2qpw s LYS 127 CO 0.78 -0.51 1.27 -2.30 0.10 0.00 0.00 175.35 174.68 2qpw n PRO 128 N -0.30 1.65 -5.01 1.78 -0.02 -1.26 -4.43 135.00 127.41 2qpw n PRO 128 Ca -0.13 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 2qpw n PRO 128 Cb 0.63 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 2qpw n PRO 128 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qpw s ILE 129 N -1.29 2.42 0.35 4.25 1.01 -0.49 -4.97 121.20 122.48 2qpw s ILE 129 Ca 0.69 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 60.33 2qpw s ILE 129 Cb -0.45 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 39.98 2qpw s ILE 129 CO 0.52 0.55 0.72 0.00 0.00 0.00 0.00 174.94 176.73 2qpw s ALA 130 N 0.39 3.37 0.45 9.38 0.00 -1.26 -1.39 121.76 132.70 2qpw s ALA 130 Ca -0.15 -0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.42 2qpw s ALA 130 Cb -0.17 -2.68 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 2qpw s ALA 130 CO 0.07 0.18 1.27 -2.30 0.00 0.00 0.00 175.76 174.98 2qpw n PRO 131 N -0.83 1.84 -1.00 0.00 -0.02 -1.26 -1.88 135.00 131.86 2qpw n PRO 131 Ca 0.02 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2qpw n PRO 131 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2qpw n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qpw n GLY 132 N 0.83 0.86 3.88 -1.23 0.00 -0.54 -4.97 105.19 104.02 2qpw n GLY 132 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2qpw n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qpw s GLU 133 N -0.00 3.63 0.15 1.61 2.02 -0.79 -4.91 118.70 120.42 2qpw s GLU 133 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.69 2qpw s GLU 133 Cb 0.00 -3.07 -0.07 0.00 0.10 0.00 0.00 34.13 31.09 2qpw s GLU 133 CO 0.00 0.64 0.98 -2.00 0.02 0.00 0.00 175.26 174.89 2qpw s GLU 134 N -1.73 4.72 -0.06 1.61 2.12 -1.26 -1.51 118.70 122.58 2qpw s GLU 134 Ca 0.28 1.50 -0.30 0.00 0.36 0.00 0.00 54.97 56.82 2qpw s GLU 134 Cb -0.13 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 2qpw s GLU 134 CO 0.16 0.27 1.07 -0.51 -0.54 0.00 0.00 175.26 175.70 2qpw s LEU 135 N -0.36 4.28 -0.06 2.70 1.02 0.00 -4.91 118.68 121.36 2qpw s LEU 135 Ca 0.46 1.66 -0.00 0.00 0.02 0.00 0.00 54.13 56.27 2qpw s LEU 135 Cb -0.25 -3.56 0.03 0.00 0.02 0.00 0.00 46.19 42.43 2qpw s LEU 135 CO 0.31 -0.45 -0.02 -0.76 0.02 0.00 0.00 176.35 175.45 2qpw s LEU 136 N 1.83 0.89 0.17 1.79 1.43 -1.26 -4.01 118.68 119.51 2qpw s LEU 136 Ca 0.52 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2qpw s LEU 136 Cb -0.21 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 2qpw s LEU 136 CO 0.22 -0.14 0.38 0.54 0.23 0.00 0.00 176.35 177.57 2qpw s VAL 137 N 1.56 5.20 0.38 -1.59 0.11 -0.73 -1.66 120.40 123.67 2qpw s VAL 137 Ca -0.01 -0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 58.76 2qpw s VAL 137 Cb -0.13 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.06 2qpw s VAL 137 CO -0.03 -0.08 0.61 0.86 -3.33 0.00 0.00 175.10 173.13 2qpw s TRP 138 N -1.78 0.75 0.85 1.54 -0.00 -1.10 -1.06 118.94 118.15 2qpw s TRP 138 Ca 0.39 -1.16 -0.11 0.00 -0.00 0.00 0.00 56.10 55.22 2qpw s TRP 138 Cb -0.12 0.28 0.10 0.00 -0.00 0.00 0.00 33.47 33.74 2qpw s TRP 138 CO 0.27 -1.35 1.09 0.71 -0.00 0.00 0.00 176.95 177.68 2qpw s TYR 139 N -2.59 2.33 0.35 5.86 2.02 -1.26 -4.22 117.35 119.84 2qpw s TYR 139 Ca 0.25 1.43 -0.28 0.00 -0.37 0.00 0.00 57.07 58.10 2qpw s TYR 139 Cb -0.02 -3.13 -0.11 0.00 -0.40 0.00 0.00 41.96 38.30 2qpw s TYR 139 CO 0.18 -2.23 1.37 -0.80 -1.57 0.00 0.00 175.55 172.51 2qpw s ASN 140 N -3.31 6.62 0.37 2.29 0.01 -1.26 -4.92 114.94 114.74 2qpw s ASN 140 Ca 0.63 2.82 0.08 0.00 -0.71 0.00 0.00 52.86 55.67 2qpw s ASN 140 Cb -0.18 -2.66 -0.03 0.00 0.41 0.00 0.00 41.25 38.79 2qpw s ASN 140 CO 0.57 -0.66 0.25 -0.83 -1.51 0.00 0.00 177.10 174.92 2qpw s GLY 141 N -0.36 2.03 -0.55 0.66 0.00 -1.26 -5.08 107.32 102.76 2qpw s GLY 141 Ca 0.50 -1.85 -0.23 0.00 0.00 0.00 0.00 44.72 43.14 2qpw s GLY 141 CO 0.57 -1.72 0.88 -0.54 0.00 0.00 0.00 173.10 172.28 2qpw s GLU 142 N -3.97 3.27 0.01 2.90 2.02 -1.26 -4.91 118.70 116.75 2qpw s GLU 142 Ca 0.42 -0.44 0.25 0.00 0.02 0.00 0.00 54.97 55.21 2qpw s GLU 142 Cb -0.02 -4.08 0.42 0.00 0.10 0.00 0.00 34.13 30.55 2qpw s GLU 142 CO 0.25 -1.46 1.35 -0.25 0.02 0.00 0.00 175.26 175.17 2qpw n ASP 143 N 7.23 0.56 -4.74 -0.19 10.43 -1.26 -4.98 116.55 123.59 2qpw n ASP 143 Ca -0.00 -0.30 -0.41 0.00 2.57 0.00 0.00 54.79 56.64 2qpw n ASP 143 Cb 0.47 0.33 -0.04 0.00 1.84 0.00 0.00 41.12 43.72 2qpw n ASP 143 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2qpw s ASN 144 N -3.07 7.15 -0.14 -2.24 0.01 -1.26 -4.99 114.94 110.39 2qpw s ASN 144 Ca 0.10 2.20 -0.27 0.00 -0.71 0.00 0.00 52.86 54.18 2qpw s ASN 144 Cb 0.17 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 2qpw s ASN 144 CO 0.72 -0.31 0.92 -2.16 -1.51 0.00 0.00 177.10 174.76 2qpw s PRO 145 N -0.39 4.35 -1.24 -0.60 0.04 -1.26 -4.98 135.00 130.92 2qpw s PRO 145 Ca 0.51 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 2qpw s PRO 145 Cb -0.32 -3.56 0.18 0.00 0.04 0.00 0.00 34.50 30.84 2qpw s PRO 145 CO 0.37 -0.34 1.68 0.39 0.04 0.00 0.00 177.00 179.14 2qpw n GLU 146 N 5.19 3.56 0.00 4.56 1.02 -1.26 -5.34 120.64 128.37 2qpw n GLU 146 Ca 0.07 -3.71 0.00 0.00 -0.02 0.00 0.00 57.16 53.50 2qpw n GLU 146 Cb 0.49 -2.95 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 2qpw n GLU 146 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75