#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu5 s VAL 4 N 0.00 0.86 -0.15 1.61 -7.23 -1.26 -4.68 120.40 109.55 2cu5 s VAL 4 Ca 0.00 -1.17 -0.08 0.00 -1.81 0.00 0.00 61.98 58.92 2cu5 s VAL 4 Cb 0.00 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 2cu5 s VAL 4 CO 0.00 -0.27 0.12 -0.69 -0.31 0.00 0.00 175.10 173.96 2cu5 s VAL 5 N -1.26 5.37 -0.15 1.32 1.01 0.59 -4.89 120.40 122.38 2cu5 s VAL 5 Ca -0.05 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2cu5 s VAL 5 Cb -0.10 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2cu5 s VAL 5 CO 0.01 0.55 -0.03 -0.13 0.00 0.00 0.00 175.10 175.50 2cu5 s ARG 6 N -0.52 3.66 -0.10 2.72 0.52 -1.26 0.08 118.95 124.06 2cu5 s ARG 6 Ca 0.12 -0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 54.79 2cu5 s ARG 6 Cb -0.12 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 2cu5 s ARG 6 CO 0.02 0.26 0.03 -0.51 0.02 0.00 0.00 175.30 175.11 2cu5 s LEU 7 N 0.32 3.72 -0.38 2.53 1.43 -0.21 -4.94 118.68 121.15 2cu5 s LEU 7 Ca -0.04 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 2cu5 s LEU 7 Cb -0.14 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.24 2cu5 s LEU 7 CO 0.03 0.36 0.22 -1.61 0.23 0.00 0.00 176.35 175.58 2cu5 s GLU 8 N -0.77 2.80 -0.25 1.70 0.41 -1.26 -1.36 118.70 119.97 2cu5 s GLU 8 Ca 0.12 -1.12 -0.06 0.00 -0.41 0.00 0.00 54.97 53.50 2cu5 s GLU 8 Cb -0.12 -3.76 -0.01 0.00 -1.78 0.00 0.00 34.13 28.46 2cu5 s GLU 8 CO 0.02 -0.74 0.04 0.08 -0.49 0.00 0.00 175.26 174.18 2cu5 s VAL 9 N 1.55 3.92 0.31 2.63 1.01 0.16 -4.92 120.40 125.06 2cu5 s VAL 9 Ca 0.02 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 2cu5 s VAL 9 Cb -0.20 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 2cu5 s VAL 9 CO 0.06 0.30 1.04 -2.16 0.00 0.00 0.00 175.10 174.34 2cu5 s PRO 10 N 1.54 4.56 0.09 2.72 0.04 -1.26 -0.25 135.00 142.44 2cu5 s PRO 10 Ca 0.05 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2cu5 s PRO 10 Cb -0.15 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 2cu5 s PRO 10 CO 0.01 0.19 -0.06 0.95 0.04 0.00 0.00 177.00 178.13 2cu5 s THR 11 N -1.33 0.62 0.38 1.26 -4.23 0.19 -4.93 115.64 107.60 2cu5 s THR 11 Ca 0.48 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 2cu5 s THR 11 Cb -0.27 -1.63 0.07 0.00 1.34 0.00 0.00 72.50 72.01 2cu5 s THR 11 CO 0.35 -0.88 0.52 -0.81 -0.54 0.00 0.00 174.62 173.26 2cu5 n PRO 12 N 0.02 0.32 -0.31 3.99 -0.04 -1.26 -2.82 135.00 134.89 2cu5 n PRO 12 Ca -0.13 -1.50 0.08 0.00 -0.04 0.00 0.00 63.50 61.92 2cu5 n PRO 12 Cb 0.61 -0.32 0.25 0.00 -0.04 0.00 0.00 33.50 33.99 2cu5 n PRO 12 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2cu5 h GLU 13 N 0.00 0.65 -1.94 0.54 5.08 -1.93 -3.27 114.58 113.71 2cu5 h GLU 13 Ca -0.17 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2cu5 h GLU 13 Cb 0.66 -0.15 -0.22 0.00 0.50 0.00 0.00 28.75 29.55 2cu5 h GLU 13 CO 0.19 0.43 0.18 -1.83 -1.00 0.00 0.00 179.01 176.99 2cu5 s GLU 14 N -5.95 0.80 0.00 2.33 -1.05 -1.26 -0.19 118.70 113.38 2cu5 s GLU 14 Ca -0.12 0.90 0.00 0.00 -0.15 0.00 0.00 54.97 55.60 2cu5 s GLU 14 Cb 0.22 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 2cu5 s GLU 14 CO 0.79 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 177.30 2cu5 n GLY 15 N 2.53 2.25 3.45 -3.83 0.00 -0.13 -4.98 105.19 104.47 2cu5 n GLY 15 Ca -0.14 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 2cu5 n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cu5 s PHE 16 N -2.00 3.03 -0.33 1.61 0.40 -1.26 -1.07 117.98 118.37 2cu5 s PHE 16 Ca 0.00 -0.48 -0.20 0.00 -0.60 0.00 0.00 56.93 55.64 2cu5 s PHE 16 Cb 0.00 -3.56 -0.00 0.00 0.51 0.00 0.00 43.02 39.97 2cu5 s PHE 16 CO 0.00 -1.04 0.64 0.08 0.70 0.00 0.00 175.22 175.60 2cu5 s VAL 17 N 2.72 4.91 -0.25 -0.44 1.01 -0.18 -4.90 120.40 123.27 2cu5 s VAL 17 Ca 0.16 0.77 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 2cu5 s VAL 17 Cb -0.19 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 2cu5 s VAL 17 CO 0.13 -0.22 1.51 0.21 0.00 0.00 0.00 175.10 176.73 2cu5 s ASN 18 N 1.70 6.47 -0.10 3.32 3.84 -1.26 -0.48 114.94 128.42 2cu5 s ASN 18 Ca 0.25 1.49 0.14 0.00 0.21 0.00 0.00 52.86 54.95 2cu5 s ASN 18 Cb -0.15 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.37 2cu5 s ASN 18 CO 0.13 -1.20 1.26 2.30 -2.79 0.00 0.00 177.10 176.80 2cu5 n ILE 19 N 6.34 1.74 -0.01 -5.21 -5.35 0.01 -4.75 119.36 112.13 2cu5 n ILE 19 Ca 0.17 -1.67 -0.09 0.00 -0.27 0.00 0.00 62.75 60.90 2cu5 n ILE 19 Cb 0.46 0.02 -0.04 0.00 -1.74 0.00 0.00 39.64 38.33 2cu5 n ILE 19 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2cu5 h THR 20 N 1.15 0.80 -0.24 7.28 2.02 -1.89 -0.89 112.91 121.14 2cu5 h THR 20 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 2cu5 h THR 20 Cb 1.05 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2cu5 h THR 20 CO 0.09 0.00 -0.41 0.03 0.37 0.00 0.00 175.52 175.59 2cu5 h ARG 21 N -0.04 0.57 -0.68 6.66 3.08 -1.93 -1.96 114.38 120.08 2cu5 h ARG 21 Ca 0.07 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 2cu5 h ARG 21 Cb 0.15 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2cu5 h ARG 21 CO -0.17 0.89 0.22 0.87 -1.07 0.00 0.00 179.97 180.71 2cu5 h LYS 22 N 0.47 1.05 -0.34 0.04 1.57 -1.82 -1.03 116.57 116.51 2cu5 h LYS 22 Ca 0.04 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2cu5 h LYS 22 Cb 0.92 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2cu5 h LYS 22 CO 0.08 0.90 -0.03 0.28 -0.57 0.00 0.00 179.45 180.12 2cu5 h VAL 23 N 0.99 1.27 -0.37 0.50 2.07 -1.07 -2.99 116.25 116.65 2cu5 h VAL 23 Ca 0.22 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 2cu5 h VAL 23 Cb 0.28 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2cu5 h VAL 23 CO -0.01 0.34 -0.03 -0.33 0.02 0.00 0.00 177.57 177.56 2cu5 h GLU 24 N 0.41 0.59 -0.62 1.57 5.08 -1.15 -2.33 114.58 118.13 2cu5 h GLU 24 Ca 0.09 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2cu5 h GLU 24 Cb 0.50 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2cu5 h GLU 24 CO 0.02 0.63 0.21 0.00 -1.00 0.00 0.00 179.01 178.87 2cu5 h ALA 25 N 1.42 1.21 0.00 3.43 0.00 -1.13 -1.80 119.26 122.39 2cu5 h ALA 25 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2cu5 h ALA 25 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2cu5 h ALA 25 CO 0.02 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2cu5 n ALA 26 N -2.45 1.93 0.12 0.00 0.00 -0.91 -3.03 120.51 116.17 2cu5 n ALA 26 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.53 2cu5 n ALA 26 Cb 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2cu5 n ALA 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2cu5 h LEU 27 N 0.00 0.00 -1.55 0.00 3.38 -0.91 -3.48 115.31 112.74 2cu5 h LEU 27 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2cu5 h LEU 27 Cb 0.51 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.09 2cu5 h LEU 27 CO 0.00 0.60 -0.88 -1.20 0.09 0.00 0.00 178.44 177.05 2cu5 n SER 28 N -3.25 -1.44 0.00 -0.43 7.64 -1.17 -1.30 113.62 113.67 2cu5 n SER 28 Ca 0.02 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.82 2cu5 n SER 28 Cb 0.77 -2.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.42 2cu5 n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cu5 n GLY 29 N -1.77 0.73 3.76 0.23 0.00 -1.26 -4.91 105.19 101.97 2cu5 n GLY 29 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2cu5 n GLY 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2cu5 s HIS 30 N -2.34 2.34 -0.10 1.61 5.04 -0.42 -2.27 115.29 119.15 2cu5 s HIS 30 Ca 0.00 1.32 0.03 0.00 -1.54 0.00 0.00 55.06 54.87 2cu5 s HIS 30 Cb 0.00 -3.87 0.01 0.00 0.04 0.00 0.00 32.58 28.76 2cu5 s HIS 30 CO 0.00 -2.97 -0.21 0.99 -2.34 0.00 0.00 174.74 170.21 2cu5 s THR 31 N -1.25 1.83 -3.99 0.89 2.01 -1.26 0.68 115.64 114.55 2cu5 s THR 31 Ca 0.67 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2cu5 s THR 31 Cb -0.42 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.48 2cu5 s THR 31 CO 0.52 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.57 2cu5 n GLY 32 N 3.76 0.95 3.77 4.40 0.00 -0.13 -4.96 105.19 112.97 2cu5 n GLY 32 Ca -0.20 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 2cu5 n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cu5 s LEU 33 N 0.00 4.38 -0.09 0.99 1.43 -1.26 -0.68 118.68 123.45 2cu5 s LEU 33 Ca 0.00 2.10 0.03 0.00 -1.03 0.00 0.00 54.13 55.23 2cu5 s LEU 33 Cb 0.00 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.35 2cu5 s LEU 33 CO 0.00 -0.24 -0.18 -0.69 0.23 0.00 0.00 176.35 175.47 2cu5 s VAL 34 N -1.40 1.61 -0.18 -1.59 1.01 0.20 -2.23 120.40 117.82 2cu5 s VAL 34 Ca 0.50 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 2cu5 s VAL 34 Cb -0.26 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2cu5 s VAL 34 CO 0.33 0.46 0.13 -0.47 0.00 0.00 0.00 175.10 175.55 2cu5 s TYR 35 N 0.58 3.46 -0.02 5.22 5.04 0.34 -1.27 117.35 130.70 2cu5 s TYR 35 Ca -0.15 0.38 0.06 0.00 -2.44 0.00 0.00 57.07 54.91 2cu5 s TYR 35 Cb -0.17 -2.10 -0.01 0.00 0.35 0.00 0.00 41.96 40.03 2cu5 s TYR 35 CO 0.05 0.40 -0.19 -0.51 -1.34 0.00 0.00 175.55 173.96 2cu5 s LEU 36 N 0.01 2.01 -0.13 6.97 1.43 -0.46 -1.13 118.68 127.38 2cu5 s LEU 36 Ca 0.10 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 2cu5 s LEU 36 Cb -0.11 -1.01 0.04 0.00 0.03 0.00 0.00 46.19 45.14 2cu5 s LEU 36 CO -0.00 0.22 0.35 0.12 0.23 0.00 0.00 176.35 177.26 2cu5 s PHE 37 N -0.34 -0.41 -0.23 0.29 5.36 -0.64 -0.69 117.98 121.32 2cu5 s PHE 37 Ca 0.05 0.97 -0.06 0.00 -0.96 0.00 0.00 56.93 56.93 2cu5 s PHE 37 Cb -0.09 0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.72 2cu5 s PHE 37 CO 0.00 -0.21 0.02 0.14 -1.46 0.00 0.00 175.22 173.71 2cu5 s VAL 38 N 0.46 3.98 -0.05 3.12 -7.23 -0.60 -0.51 120.40 119.57 2cu5 s VAL 38 Ca -0.02 -0.29 -0.05 0.00 -1.81 0.00 0.00 61.98 59.81 2cu5 s VAL 38 Cb -0.04 -2.83 -0.19 0.00 0.56 0.00 0.00 36.38 33.87 2cu5 s VAL 38 CO -0.02 0.38 3.32 -0.81 -0.31 0.00 0.00 175.10 177.66 2cu5 n PRO 39 N 4.73 1.92 -4.13 4.82 -0.04 -1.26 -4.83 135.00 136.21 2cu5 n PRO 39 Ca -0.17 -1.03 -0.10 0.00 -0.04 0.00 0.00 63.50 62.16 2cu5 n PRO 39 Cb 0.51 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 2cu5 n PRO 39 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2cu5 s HIS 40 N 0.55 0.72 -1.11 0.54 3.76 -1.26 -5.03 115.29 113.46 2cu5 s HIS 40 Ca 0.58 -0.91 0.10 0.00 -0.15 0.00 0.00 55.06 54.68 2cu5 s HIS 40 Cb 0.29 -0.45 0.06 0.00 1.11 0.00 0.00 32.58 33.58 2cu5 s HIS 40 CO -0.02 -0.22 0.75 0.25 -0.85 0.00 0.00 174.74 174.65 2cu5 n THR 41 N 0.23 0.00 -1.20 1.30 -2.24 -1.26 -4.58 114.28 106.52 2cu5 n THR 41 Ca -0.14 -0.47 0.09 0.00 -2.27 0.00 0.00 64.05 61.25 2cu5 n THR 41 Cb 0.60 1.18 0.13 0.00 -2.10 0.00 0.00 70.33 70.14 2cu5 n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cu5 n THR 42 N 0.32 1.71 -4.08 4.28 -2.24 -1.26 -4.18 114.28 108.84 2cu5 n THR 42 Ca 0.05 -2.10 -0.10 0.00 -2.27 0.00 0.00 64.05 59.63 2cu5 n THR 42 Cb 0.23 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.23 2cu5 n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cu5 n GLY 44 N -0.34 2.48 3.11 0.00 0.00 0.13 -4.68 105.19 105.90 2cu5 n GLY 44 Ca -0.00 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 2cu5 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cu5 s LEU 45 N 0.00 1.87 0.14 0.99 1.43 -0.48 0.69 118.68 123.32 2cu5 s LEU 45 Ca 0.22 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 2cu5 s LEU 45 Cb -0.00 -0.94 0.04 0.00 0.03 0.00 0.00 46.19 45.31 2cu5 s LEU 45 CO 0.16 0.13 0.46 0.28 0.23 0.00 0.00 176.35 177.60 2cu5 s THR 46 N 0.16 0.05 -0.18 5.49 -1.32 -0.75 -4.51 115.64 114.59 2cu5 s THR 46 Ca -0.06 -0.51 -0.01 0.00 -1.21 0.00 0.00 61.69 59.89 2cu5 s THR 46 Cb -0.12 -1.21 -0.00 0.00 -1.51 0.00 0.00 72.50 69.65 2cu5 s THR 46 CO 0.03 -0.22 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.40 2cu5 s VAL 47 N -3.81 2.84 0.36 5.08 1.01 -1.26 -0.51 120.40 124.11 2cu5 s VAL 47 Ca 0.04 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2cu5 s VAL 47 Cb 0.01 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.18 2cu5 s VAL 47 CO -0.10 0.49 0.58 0.00 0.00 0.00 0.00 175.10 176.06 2cu5 n GLN 48 N 4.38 0.83 -2.35 2.72 1.13 -0.66 -4.91 117.38 118.51 2cu5 n GLN 48 Ca -0.19 -2.55 -0.42 0.00 -1.94 0.00 0.00 57.00 51.90 2cu5 n GLN 48 Cb 0.51 2.67 -0.03 0.00 0.11 0.00 0.00 30.24 33.50 2cu5 n GLN 48 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2cu5 s GLU 49 N -2.54 4.42 -0.13 -1.09 2.12 -1.24 -0.05 118.70 120.18 2cu5 s GLU 49 Ca 0.24 1.87 -0.02 0.00 0.36 0.00 0.00 54.97 57.42 2cu5 s GLU 49 Cb -0.02 -3.30 -0.08 0.00 0.26 0.00 0.00 34.13 30.99 2cu5 s GLU 49 CO 0.17 -0.26 -0.14 0.41 -0.54 0.00 0.00 175.26 174.90 2cu5 n GLY 50 N 3.06 -0.19 0.49 -1.50 0.00 -1.24 -4.64 105.19 101.17 2cu5 n GLY 50 Ca 0.09 -0.08 0.31 0.00 0.00 0.00 0.00 46.02 46.33 2cu5 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cu5 h ALA 51 N -0.16 2.91 -2.31 4.61 0.00 -1.93 -3.35 119.26 119.02 2cu5 h ALA 51 Ca -0.31 -0.03 -0.72 0.00 0.00 0.00 0.00 54.91 53.85 2cu5 h ALA 51 Cb 1.40 0.07 -0.21 0.00 0.00 0.00 0.00 17.79 19.06 2cu5 h ALA 51 CO -0.10 -1.22 -0.26 0.34 0.00 0.00 0.00 179.25 178.00 2cu5 s ASP 52 N -5.40 6.16 0.49 0.00 -1.08 -1.26 -4.96 116.67 110.61 2cu5 s ASP 52 Ca -0.05 -1.09 0.20 0.00 -0.52 0.00 0.00 52.55 51.09 2cu5 s ASP 52 Cb 0.22 -2.20 1.23 0.00 -1.46 0.00 0.00 42.92 40.70 2cu5 s ASP 52 CO 0.77 -0.65 1.99 1.55 0.52 0.00 0.00 175.17 179.35 2cu5 h PRO 53 N 8.77 0.18 0.00 4.34 0.13 -1.94 -2.50 132.00 140.97 2cu5 h PRO 53 Ca -0.28 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2cu5 h PRO 53 Cb 1.11 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2cu5 h PRO 53 CO 0.86 0.12 -0.11 1.79 -0.23 0.00 0.00 178.00 180.43 2cu5 h THR 54 N 0.18 0.45 0.25 1.56 1.35 -1.93 -2.57 112.91 112.21 2cu5 h THR 54 Ca 0.26 -0.54 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 2cu5 h THR 54 Cb 0.78 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2cu5 h THR 54 CO -0.04 0.10 -0.12 0.58 -0.25 0.00 0.00 175.52 175.79 2cu5 h VAL 55 N 0.00 0.80 -0.86 6.82 2.07 -1.78 -1.38 116.25 121.92 2cu5 h VAL 55 Ca -0.00 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.02 2cu5 h VAL 55 Cb 0.36 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2cu5 h VAL 55 CO 0.01 0.11 0.57 0.00 0.02 0.00 0.00 177.57 178.28 2cu5 h ALA 56 N 0.05 1.39 -0.13 1.67 0.00 -1.69 0.03 119.26 120.59 2cu5 h ALA 56 Ca -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2cu5 h ALA 56 Cb 0.44 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2cu5 h ALA 56 CO 0.06 0.56 0.08 1.96 0.00 0.00 0.00 179.25 181.90 2cu5 h GLN 57 N 1.16 0.17 -0.25 0.00 4.20 -1.33 -0.58 115.11 118.48 2cu5 h GLN 57 Ca 0.32 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 2cu5 h GLN 57 Cb -0.12 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2cu5 h GLN 57 CO -0.07 0.15 -0.20 -0.44 -0.67 0.00 0.00 178.83 177.60 2cu5 h ASP 58 N 0.14 0.43 -0.21 1.46 5.19 -0.80 0.26 116.42 122.89 2cu5 h ASP 58 Ca 0.05 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 2cu5 h ASP 58 Cb 0.02 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 2cu5 h ASP 58 CO -0.01 0.64 0.07 -0.07 -3.12 0.00 0.00 179.24 176.76 2cu5 h LEU 59 N 0.40 0.31 -0.71 1.55 3.38 -0.62 -0.45 115.31 119.17 2cu5 h LEU 59 Ca 0.07 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 2cu5 h LEU 59 Cb 0.57 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2cu5 h LEU 59 CO 0.04 0.42 -0.08 -0.07 0.09 0.00 0.00 178.44 178.84 2cu5 h LEU 60 N 0.18 0.90 -0.21 1.67 3.38 -0.90 -0.85 115.31 119.48 2cu5 h LEU 60 Ca 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2cu5 h LEU 60 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2cu5 h LEU 60 CO -0.00 1.01 0.07 1.23 0.09 0.00 0.00 178.44 180.83 2cu5 h GLY 61 N 0.97 0.36 1.34 0.83 0.00 -0.77 -1.41 103.07 104.39 2cu5 h GLY 61 Ca 0.14 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 2cu5 h GLY 61 CO 0.04 0.20 -0.36 3.21 0.00 0.00 0.00 176.54 179.63 2cu5 h ARG 62 N 0.18 0.73 -0.39 4.80 3.08 -1.02 -2.61 114.38 119.14 2cu5 h ARG 62 Ca 0.07 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 2cu5 h ARG 62 Cb 0.23 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2cu5 h ARG 62 CO -0.00 0.97 0.01 -0.07 -1.07 0.00 0.00 179.97 179.81 2cu5 h LEU 63 N 0.61 0.58 -1.15 3.04 3.38 -1.05 -0.60 115.31 120.12 2cu5 h LEU 63 Ca 0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2cu5 h LEU 63 Cb 0.89 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2cu5 h LEU 63 CO 0.08 0.64 -0.23 0.00 0.09 0.00 0.00 178.44 179.02 2cu5 h ALA 64 N 1.43 1.29 -0.16 1.53 0.00 -1.02 0.38 119.26 122.72 2cu5 h ALA 64 Ca 0.12 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 2cu5 h ALA 64 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2cu5 h ALA 64 CO 0.01 0.48 -0.64 0.93 0.00 0.00 0.00 179.25 180.03 2cu5 h GLU 65 N 0.28 0.57 -0.00 0.00 5.08 -0.95 -1.92 114.58 117.64 2cu5 h GLU 65 Ca 0.05 -0.41 -0.18 0.00 -1.00 0.00 0.00 59.36 57.82 2cu5 h GLU 65 Cb 0.56 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2cu5 h GLU 65 CO 0.04 1.03 -0.82 -0.07 -1.00 0.00 0.00 179.01 178.18 2cu5 h LEU 66 N 0.42 0.12 -6.47 1.33 3.38 -0.66 -3.37 115.31 110.06 2cu5 h LEU 66 Ca -0.01 -0.09 -0.59 0.00 0.09 0.00 0.00 57.88 57.27 2cu5 h LEU 66 Cb 1.21 -0.04 -0.40 0.00 0.09 0.00 0.00 40.66 41.52 2cu5 h LEU 66 CO 0.12 0.89 -0.81 0.00 0.09 0.00 0.00 178.44 178.72 2cu5 n ALA 67 N -2.42 3.17 -1.74 1.53 0.00 0.13 -5.09 120.51 116.09 2cu5 n ALA 67 Ca -0.02 -3.90 -0.41 0.00 0.00 0.00 0.00 53.44 49.11 2cu5 n ALA 67 Cb 0.78 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.36 2cu5 n ALA 67 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2cu5 n PRO 68 N 1.91 2.30 -0.16 0.00 -0.02 -0.73 -4.59 135.00 133.72 2cu5 n PRO 68 Ca 0.25 0.81 -0.10 0.00 -2.02 0.00 0.00 63.50 62.44 2cu5 n PRO 68 Cb 0.44 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2cu5 n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cu5 h ARG 69 N 2.54 0.78 -4.11 -0.52 3.08 -1.95 -3.39 114.38 110.81 2cu5 h ARG 69 Ca -0.49 -0.24 -0.73 0.00 0.07 0.00 0.00 59.98 58.59 2cu5 h ARG 69 Cb 1.27 -0.08 -0.30 0.00 0.08 0.00 0.00 29.97 30.95 2cu5 h ARG 69 CO 0.62 0.84 -0.31 -1.01 -1.07 0.00 0.00 179.97 179.04 2cu5 s HIS 70 N -5.04 3.46 -0.23 3.04 3.76 -1.26 -4.78 115.29 114.24 2cu5 s HIS 70 Ca -0.13 -2.00 -0.01 0.00 -0.15 0.00 0.00 55.06 52.78 2cu5 s HIS 70 Cb 0.11 -3.51 0.02 0.00 1.11 0.00 0.00 32.58 30.31 2cu5 s HIS 70 CO 0.81 -0.97 -0.09 0.50 -0.85 0.00 0.00 174.74 174.13 2cu5 s ARG 71 N 0.98 2.88 0.29 1.40 3.52 -1.26 -5.03 118.95 121.74 2cu5 s ARG 71 Ca 0.09 -0.93 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 2cu5 s ARG 71 Cb -0.23 -2.89 0.67 0.00 -1.56 0.00 0.00 34.95 30.94 2cu5 s ARG 71 CO -0.02 -0.35 1.75 -1.35 -0.81 0.00 0.00 175.30 174.52 2cu5 h PRO 72 N 7.99 0.61 0.00 5.12 0.11 -1.98 -1.79 132.00 142.06 2cu5 h PRO 72 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2cu5 h PRO 72 Cb 1.12 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2cu5 h PRO 72 CO 0.58 0.41 0.00 1.04 -0.21 0.00 0.00 178.00 179.82 2cu5 n GLN 73 N -4.87 0.08 -1.77 1.05 3.00 -1.26 -4.84 117.38 108.78 2cu5 n GLN 73 Ca 0.21 0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.96 2cu5 n GLN 73 Cb 0.55 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.28 2cu5 n GLN 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2cu5 n ASP 74 N -1.43 3.86 -0.01 1.08 9.92 -0.68 -4.91 116.55 124.39 2cu5 n ASP 74 Ca 0.06 1.20 0.07 0.00 -0.53 0.00 0.00 54.79 55.58 2cu5 n ASP 74 Cb 0.19 -1.62 -0.10 0.00 -0.64 0.00 0.00 41.12 38.95 2cu5 n ASP 74 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2cu5 n ARG 75 N 1.14 0.84 -2.37 -1.24 1.74 -1.26 -4.82 116.66 110.69 2cu5 n ARG 75 Ca 0.04 -0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.65 2cu5 n ARG 75 Cb 0.38 -1.30 -0.04 0.00 -1.02 0.00 0.00 32.46 30.49 2cu5 n ARG 75 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2cu5 s HIS 76 N -2.84 2.20 0.58 -1.55 2.46 -1.26 -4.84 115.29 110.03 2cu5 s HIS 76 Ca -0.03 -0.13 0.27 0.00 0.47 0.00 0.00 55.06 55.64 2cu5 s HIS 76 Cb 0.09 -4.45 1.60 0.00 -0.13 0.00 0.00 32.58 29.69 2cu5 s HIS 76 CO 0.58 -1.96 2.09 -0.07 -2.47 0.00 0.00 174.74 172.92 2cu5 h LEU 77 N 14.55 0.00 -2.39 8.88 4.07 -2.03 -1.40 115.31 136.99 2cu5 h LEU 77 Ca 0.03 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.01 2cu5 h LEU 77 Cb 1.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 2cu5 h LEU 77 CO 1.32 0.00 0.11 -0.33 -1.08 0.00 0.00 178.44 178.46 2cu5 h GLU 78 N 0.00 0.00 0.00 1.13 3.07 -2.01 -3.46 114.58 113.31 2cu5 h GLU 78 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2cu5 h GLU 78 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2cu5 h GLU 78 CO -0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2cu5 n GLY 79 N -1.33 0.62 1.36 -3.84 0.00 -0.53 -4.95 105.19 96.52 2cu5 n GLY 79 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2cu5 n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cu5 n ASN 80 N 0.00 3.65 0.26 1.61 6.94 -1.26 -4.56 115.26 121.90 2cu5 n ASN 80 Ca 0.00 -3.37 0.09 0.00 -0.02 0.00 0.00 54.58 51.28 2cu5 n ASN 80 Cb 0.00 -0.65 0.68 0.00 -2.36 0.00 0.00 39.78 37.45 2cu5 n ASN 80 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2cu5 h SER 81 N 1.69 0.00 -0.73 0.53 0.02 -1.91 0.11 113.55 113.26 2cu5 h SER 81 Ca 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2cu5 h SER 81 Cb 1.85 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.36 2cu5 h SER 81 CO 0.48 0.03 0.45 1.12 -1.14 0.00 0.00 176.83 177.77 2cu5 h HIS 82 N 0.00 0.97 -0.16 3.45 2.07 -1.81 -0.29 115.15 119.38 2cu5 h HIS 82 Ca -0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 2cu5 h HIS 82 Cb 0.06 -0.32 -0.00 0.00 2.57 0.00 0.00 27.41 29.72 2cu5 h HIS 82 CO 0.00 0.65 -0.65 0.00 -3.07 0.00 0.00 177.93 174.86 2cu5 h ALA 83 N 1.47 0.55 -0.68 6.11 0.00 -1.28 -1.58 119.26 123.85 2cu5 h ALA 83 Ca 0.27 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2cu5 h ALA 83 Cb -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2cu5 h ALA 83 CO -0.05 0.71 0.27 0.45 0.00 0.00 0.00 179.25 180.62 2cu5 h HIS 84 N 0.44 1.04 -0.23 0.00 3.86 -0.75 -0.61 115.15 118.91 2cu5 h HIS 84 Ca -0.02 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 2cu5 h HIS 84 Cb 1.23 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 2cu5 h HIS 84 CO 0.06 0.81 0.02 1.25 0.86 0.00 0.00 177.93 180.93 2cu5 h LEU 85 N 0.96 0.38 -1.24 2.43 5.85 -0.95 -1.33 115.31 121.41 2cu5 h LEU 85 Ca 0.22 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2cu5 h LEU 85 Cb 0.22 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2cu5 h LEU 85 CO -0.02 0.56 0.50 0.11 -0.34 0.00 0.00 178.44 179.25 2cu5 h LYS 86 N 0.18 1.01 -0.14 1.25 1.57 -1.12 -0.54 116.57 118.77 2cu5 h LYS 86 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2cu5 h LYS 86 Cb 0.36 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2cu5 h LYS 86 CO 0.01 0.68 0.06 1.03 -0.57 0.00 0.00 179.45 180.65 2cu5 h SER 87 N 1.04 0.19 -0.93 0.86 0.87 -0.84 -1.25 113.55 113.50 2cu5 h SER 87 Ca 0.28 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2cu5 h SER 87 Cb -0.11 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.76 2cu5 h SER 87 CO -0.06 0.28 0.61 0.25 -0.53 0.00 0.00 176.83 177.38 2cu5 h LEU 88 N 0.08 1.05 -0.92 2.23 6.46 -0.70 0.23 115.31 123.74 2cu5 h LEU 88 Ca 0.05 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.67 2cu5 h LEU 88 Cb 0.15 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2cu5 h LEU 88 CO -0.00 0.76 -0.41 -0.07 -0.62 0.00 0.00 178.44 178.09 2cu5 h LEU 89 N 1.24 0.28 0.06 2.25 3.38 -0.95 -3.29 115.31 118.29 2cu5 h LEU 89 Ca 0.34 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 2cu5 h LEU 89 Cb -0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2cu5 h LEU 89 CO -0.08 0.66 -0.96 0.74 0.09 0.00 0.00 178.44 178.89 2cu5 h THR 90 N 0.22 1.25 0.00 0.22 2.02 -0.82 -3.51 112.91 112.28 2cu5 h THR 90 Ca 0.02 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.85 2cu5 h THR 90 Cb 0.83 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 2cu5 h THR 90 CO 0.07 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.16 2cu5 n GLY 91 N 1.63 2.73 0.18 2.16 0.00 0.76 -4.78 105.19 107.87 2cu5 n GLY 91 Ca -0.22 -1.92 0.04 0.00 0.00 0.00 0.00 46.02 43.93 2cu5 n GLY 91 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2cu5 n VAL 92 N 0.56 1.36 -3.80 1.61 0.24 -1.26 -1.39 118.33 115.65 2cu5 n VAL 92 Ca 0.00 -1.44 -0.10 0.00 -2.04 0.00 0.00 64.34 60.76 2cu5 n VAL 92 Cb 0.00 0.23 -0.07 0.00 -1.47 0.00 0.00 33.84 32.52 2cu5 n VAL 92 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2cu5 s HIS 93 N -1.69 0.01 0.04 6.34 -3.43 -1.26 -1.56 115.29 113.73 2cu5 s HIS 93 Ca 0.16 -0.26 -0.01 0.00 -0.80 0.00 0.00 55.06 54.15 2cu5 s HIS 93 Cb 0.12 0.03 -0.03 0.00 -1.43 0.00 0.00 32.58 31.27 2cu5 s HIS 93 CO 0.04 -0.51 -0.03 -0.51 -2.00 0.00 0.00 174.74 171.74 2cu5 s LEU 94 N -2.34 2.35 -0.13 5.38 1.43 0.13 -4.91 118.68 120.59 2cu5 s LEU 94 Ca -0.02 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 2cu5 s LEU 94 Cb 0.01 0.17 0.04 0.00 0.03 0.00 0.00 46.19 46.43 2cu5 s LEU 94 CO -0.06 -0.46 -0.02 -0.22 0.23 0.00 0.00 176.35 175.83 2cu5 s LEU 95 N -2.21 1.05 0.12 1.79 2.96 -1.26 -1.36 118.68 119.77 2cu5 s LEU 95 Ca -0.04 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 2cu5 s LEU 95 Cb -0.01 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 2cu5 s LEU 95 CO -0.06 -0.21 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.87 2cu5 s LEU 96 N 1.83 2.41 0.03 -0.68 1.43 -0.39 -4.95 118.68 118.35 2cu5 s LEU 96 Ca 0.03 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.14 2cu5 s LEU 96 Cb -0.14 -0.51 -0.06 0.00 0.03 0.00 0.00 46.19 45.51 2cu5 s LEU 96 CO -0.07 -0.17 0.48 -0.22 0.23 0.00 0.00 176.35 176.60 2cu5 s LEU 97 N -2.48 4.49 0.02 1.79 2.96 -1.26 0.59 118.68 124.79 2cu5 s LEU 97 Ca 0.09 1.09 0.07 0.00 -0.22 0.00 0.00 54.13 55.16 2cu5 s LEU 97 Cb -0.04 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 2cu5 s LEU 97 CO 0.03 0.30 -0.22 0.00 -1.32 0.00 0.00 176.35 175.13 2cu5 s ALA 98 N -1.05 1.83 -0.15 5.97 0.00 0.15 0.26 121.76 128.76 2cu5 s ALA 98 Ca 0.26 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 2cu5 s ALA 98 Cb -0.18 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.58 2cu5 s ALA 98 CO 0.16 0.43 -0.02 -2.00 0.00 0.00 0.00 175.76 174.32 2cu5 s GLU 99 N -0.93 1.09 -1.52 0.00 2.12 0.91 -0.96 118.70 119.41 2cu5 s GLU 99 Ca 0.08 -0.37 -0.12 0.00 0.36 0.00 0.00 54.97 54.92 2cu5 s GLU 99 Cb -0.09 -1.82 0.08 0.00 0.26 0.00 0.00 34.13 32.56 2cu5 s GLU 99 CO 0.01 -0.45 0.88 1.63 -0.54 0.00 0.00 175.26 176.79 2cu5 n LYS 100 N 4.97 -4.95 -0.52 4.30 5.02 -1.12 -1.54 118.16 124.33 2cu5 n LYS 100 Ca -0.10 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2cu5 n LYS 100 Cb 0.48 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 2cu5 n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cu5 n GLY 101 N -1.65 1.09 3.38 0.72 0.00 0.22 -4.47 105.19 104.48 2cu5 n GLY 101 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2cu5 n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cu5 s ARG 102 N -0.33 3.19 0.14 1.61 3.00 -0.59 -4.61 118.95 121.35 2cu5 s ARG 102 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 55.73 54.72 2cu5 s ARG 102 Cb 0.00 -2.56 -0.09 0.00 0.00 0.00 0.00 34.95 32.30 2cu5 s ARG 102 CO 0.00 0.30 1.49 -0.51 0.00 0.00 0.00 175.30 176.57 2cu5 s LEU 103 N 0.13 4.37 -0.52 2.53 1.43 -1.26 -0.06 118.68 125.30 2cu5 s LEU 103 Ca -0.07 2.47 -0.28 0.00 -1.03 0.00 0.00 54.13 55.22 2cu5 s LEU 103 Cb -0.15 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.51 2cu5 s LEU 103 CO 0.05 -0.75 1.11 -0.13 0.23 0.00 0.00 176.35 176.86 2cu5 s ARG 104 N 1.20 3.59 0.15 1.70 1.81 0.14 -4.89 118.95 122.65 2cu5 s ARG 104 Ca 0.68 0.32 0.00 0.00 -1.72 0.00 0.00 55.73 55.01 2cu5 s ARG 104 Cb -0.40 -3.96 -0.04 0.00 -0.45 0.00 0.00 34.95 30.09 2cu5 s ARG 104 CO 0.31 -1.48 0.04 -0.51 -0.68 0.00 0.00 175.30 172.97 2cu5 s LEU 105 N 4.49 1.91 0.87 2.53 1.43 -1.26 -4.59 118.68 124.06 2cu5 s LEU 105 Ca 0.43 -1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 2cu5 s LEU 105 Cb -0.08 0.16 0.11 0.00 0.03 0.00 0.00 46.19 46.41 2cu5 s LEU 105 CO 0.28 -0.67 1.11 -0.83 0.23 0.00 0.00 176.35 176.47 2cu5 s GLY 106 N -3.10 1.66 0.64 -3.19 0.00 -1.26 -4.87 107.32 97.20 2cu5 s GLY 106 Ca 0.24 0.32 0.43 0.00 0.00 0.00 0.00 44.72 45.71 2cu5 s GLY 106 CO 0.03 0.73 2.31 3.21 0.00 0.00 0.00 173.10 179.38 2cu5 h ARG 107 N -1.56 0.00 -0.09 2.90 3.08 -2.02 -2.46 114.38 114.23 2cu5 h ARG 107 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2cu5 h ARG 107 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2cu5 h ARG 107 CO 0.48 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 180.29 2cu5 n TRP 108 N -3.04 0.29 -4.07 3.04 8.01 -1.26 -5.01 117.44 115.38 2cu5 n TRP 108 Ca -0.03 -0.89 -0.33 0.00 -1.31 0.00 0.00 57.50 54.94 2cu5 n TRP 108 Cb 0.09 -0.18 -0.07 0.00 -2.01 0.00 0.00 31.31 29.14 2cu5 n TRP 108 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2cu5 s GLN 109 N -2.60 3.15 0.04 -0.99 -0.21 -0.93 -3.60 119.66 114.52 2cu5 s GLN 109 Ca 0.31 -0.43 -0.01 0.00 0.02 0.00 0.00 55.36 55.26 2cu5 s GLN 109 Cb 0.26 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.32 2cu5 s GLN 109 CO 0.05 0.67 -0.03 -0.65 -2.12 0.00 0.00 175.29 173.21 2cu5 s GLN 110 N -1.64 0.55 -0.17 2.91 -1.52 0.93 -4.74 119.66 115.97 2cu5 s GLN 110 Ca 0.22 -1.08 -0.14 0.00 -1.95 0.00 0.00 55.36 52.41 2cu5 s GLN 110 Cb -0.12 0.19 -0.05 0.00 -0.22 0.00 0.00 33.01 32.81 2cu5 s GLN 110 CO 0.13 -0.10 0.30 0.08 -0.25 0.00 0.00 175.29 175.45 2cu5 s VAL 111 N -3.38 5.30 0.01 1.09 1.01 -1.26 -1.66 120.40 121.51 2cu5 s VAL 111 Ca 0.02 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.61 2cu5 s VAL 111 Cb 0.04 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2cu5 s VAL 111 CO -0.08 0.37 -0.21 -0.36 0.00 0.00 0.00 175.10 174.83 2cu5 s PHE 112 N 0.59 1.83 -0.30 5.22 0.08 0.33 -0.81 117.98 124.92 2cu5 s PHE 112 Ca 0.16 -0.36 -0.15 0.00 0.12 0.00 0.00 56.93 56.70 2cu5 s PHE 112 Cb -0.13 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 2cu5 s PHE 112 CO 0.04 0.02 0.39 -1.17 -0.10 0.00 0.00 175.22 174.40 2cu5 s LEU 113 N -0.76 4.20 -0.49 -0.37 0.20 0.36 -1.80 118.68 120.02 2cu5 s LEU 113 Ca 0.08 0.08 -0.20 0.00 0.69 0.00 0.00 54.13 54.78 2cu5 s LEU 113 Cb -0.08 -2.42 0.05 0.00 -0.43 0.00 0.00 46.19 43.31 2cu5 s LEU 113 CO 0.00 -0.27 0.66 0.00 -0.29 0.00 0.00 176.35 176.45 2cu5 s ALA 114 N 2.10 3.35 -0.14 5.97 0.00 0.22 -1.01 121.76 132.25 2cu5 s ALA 114 Ca 0.14 -1.57 -0.20 0.00 0.00 0.00 0.00 51.96 50.34 2cu5 s ALA 114 Cb -0.16 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2cu5 s ALA 114 CO 0.11 -1.99 0.57 -2.00 0.00 0.00 0.00 175.76 172.44 2cu5 s GLU 115 N 2.80 4.31 0.00 0.00 2.56 -0.23 0.23 118.70 128.37 2cu5 s GLU 115 Ca 0.18 0.58 0.01 0.00 0.00 0.00 0.00 54.97 55.74 2cu5 s GLU 115 Cb -0.17 -3.49 -0.00 0.00 2.00 0.00 0.00 34.13 32.47 2cu5 s GLU 115 CO 0.14 0.00 0.27 1.19 -0.56 0.00 0.00 175.26 176.30 2cu5 n PHE 116 N 4.17 0.00 -2.87 5.30 3.72 -1.15 -0.96 117.46 125.66 2cu5 n PHE 116 Ca -0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.24 2cu5 n PHE 116 Cb 0.51 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.09 2cu5 n PHE 116 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2cu5 n ASP 117 N -0.50 -0.66 0.00 4.37 2.03 -1.20 -4.70 116.55 115.89 2cu5 n ASP 117 Ca 0.00 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.17 2cu5 n ASP 117 Cb 0.01 0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2cu5 n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cu5 n GLY 118 N 0.13 2.37 3.81 0.27 0.00 0.74 -4.85 105.19 107.66 2cu5 n GLY 118 Ca 0.12 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 2cu5 n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cu5 s PRO 119 N 3.02 4.35 0.05 1.61 0.04 -1.24 -4.45 135.00 138.38 2cu5 s PRO 119 Ca 0.00 1.00 -0.09 0.00 0.04 0.00 0.00 61.00 61.95 2cu5 s PRO 119 Cb 0.00 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.71 2cu5 s PRO 119 CO 0.00 0.36 0.41 2.89 0.04 0.00 0.00 177.00 180.70 2cu5 n ARG 120 N 0.68 0.21 -4.34 4.56 1.85 -1.13 -4.95 116.66 113.54 2cu5 n ARG 120 Ca -0.01 -0.51 -0.34 0.00 -1.00 0.00 0.00 57.85 55.99 2cu5 n ARG 120 Cb 0.51 0.71 -0.13 0.00 -1.05 0.00 0.00 32.46 32.49 2cu5 n ARG 120 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2cu5 s VAL 121 N -2.32 3.50 0.15 8.89 1.01 -1.26 -0.64 120.40 129.73 2cu5 s VAL 121 Ca 0.09 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.65 2cu5 s VAL 121 Cb -0.01 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2cu5 s VAL 121 CO 0.02 0.48 0.03 -0.13 0.00 0.00 0.00 175.10 175.49 2cu5 s ARG 122 N 0.74 2.55 0.02 2.72 1.81 0.65 -4.89 118.95 122.56 2cu5 s ARG 122 Ca -0.03 -0.98 -0.00 0.00 -1.72 0.00 0.00 55.73 53.00 2cu5 s ARG 122 Cb -0.15 -2.47 -0.04 0.00 -0.45 0.00 0.00 34.95 31.84 2cu5 s ARG 122 CO 0.02 0.49 0.12 -1.21 -0.68 0.00 0.00 175.30 174.03 2cu5 s GLU 123 N -2.80 3.15 -0.12 3.54 2.02 -1.26 0.36 118.70 123.60 2cu5 s GLU 123 Ca 0.28 -0.49 -0.00 0.00 0.02 0.00 0.00 54.97 54.77 2cu5 s GLU 123 Cb -0.10 -2.90 0.03 0.00 0.10 0.00 0.00 34.13 31.25 2cu5 s GLU 123 CO 0.20 0.63 -0.08 0.08 0.02 0.00 0.00 175.26 176.11 2cu5 s VAL 124 N -1.31 1.06 -0.02 2.63 1.01 -0.46 -4.23 120.40 119.07 2cu5 s VAL 124 Ca 0.27 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 2cu5 s VAL 124 Cb -0.12 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2cu5 s VAL 124 CO 0.19 0.34 0.61 0.26 0.00 0.00 0.00 175.10 176.51 2cu5 s TRP 125 N 1.69 3.66 -0.09 5.22 0.51 0.33 -1.04 118.94 129.22 2cu5 s TRP 125 Ca 0.05 1.20 0.05 0.00 -2.12 0.00 0.00 56.10 55.27 2cu5 s TRP 125 Cb -0.13 -2.65 -0.00 0.00 -0.81 0.00 0.00 33.47 29.88 2cu5 s TRP 125 CO -0.08 0.29 -0.24 0.08 -0.51 0.00 0.00 176.95 176.48 2cu5 s VAL 126 N 0.05 2.04 -0.02 4.03 1.01 0.11 -1.61 120.40 126.01 2cu5 s VAL 126 Ca 0.32 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2cu5 s VAL 126 Cb -0.18 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.46 2cu5 s VAL 126 CO 0.17 0.56 0.01 -0.60 0.00 0.00 0.00 175.10 175.24 2cu5 s ARG 127 N 0.21 0.07 -0.18 2.72 3.52 -0.29 -0.30 118.95 124.70 2cu5 s ARG 127 Ca -0.15 0.10 -0.21 0.00 -0.13 0.00 0.00 55.73 55.35 2cu5 s ARG 127 Cb -0.17 -0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 32.94 2cu5 s ARG 127 CO 0.08 -0.11 0.62 -0.51 -0.81 0.00 0.00 175.30 174.57 2cu5 s LEU 128 N 0.77 4.17 0.00 -0.88 1.43 -1.26 -0.50 118.68 122.40 2cu5 s LEU 128 Ca -0.07 0.86 0.18 0.00 -1.03 0.00 0.00 54.13 54.07 2cu5 s LEU 128 Cb -0.10 -2.89 1.06 0.00 0.03 0.00 0.00 46.19 44.30 2cu5 s LEU 128 CO -0.02 -0.24 1.46 0.18 0.23 0.00 0.00 176.35 177.97