#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu5 s VAL 5 N 0.00 5.36 -0.24 2.52 1.01 0.29 -4.89 120.40 124.45 2cu5 s VAL 5 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 2cu5 s VAL 5 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2cu5 s VAL 5 CO 0.00 0.41 0.23 -0.13 0.00 0.00 0.00 175.10 175.60 2cu5 s ARG 6 N 0.48 4.08 0.04 2.72 0.52 -1.26 -0.55 118.95 124.98 2cu5 s ARG 6 Ca 0.12 -0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 2cu5 s ARG 6 Cb -0.12 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 2cu5 s ARG 6 CO 0.01 -0.00 0.09 -0.51 0.02 0.00 0.00 175.30 174.91 2cu5 s LEU 7 N 1.24 3.89 -0.22 2.53 1.43 0.07 -4.95 118.68 122.67 2cu5 s LEU 7 Ca 0.10 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2cu5 s LEU 7 Cb -0.14 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2cu5 s LEU 7 CO 0.06 0.22 -0.05 -1.61 0.23 0.00 0.00 176.35 175.21 2cu5 s GLU 8 N -2.06 3.38 -0.26 1.70 0.41 -1.26 -1.91 118.70 118.70 2cu5 s GLU 8 Ca 0.26 -0.63 0.02 0.00 -0.41 0.00 0.00 54.97 54.21 2cu5 s GLU 8 Cb -0.12 -2.99 0.07 0.00 -1.78 0.00 0.00 34.13 29.31 2cu5 s GLU 8 CO 0.18 -0.17 -0.04 0.08 -0.49 0.00 0.00 175.26 174.82 2cu5 s VAL 9 N 1.41 1.71 0.33 2.63 1.01 0.14 -4.94 120.40 122.69 2cu5 s VAL 9 Ca 0.05 -1.49 -0.28 0.00 0.00 0.00 0.00 61.98 60.26 2cu5 s VAL 9 Cb -0.14 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 2cu5 s VAL 9 CO -0.03 -0.21 1.19 -2.16 0.00 0.00 0.00 175.10 173.88 2cu5 s PRO 10 N 1.28 4.37 0.14 2.72 0.04 -1.26 -0.52 135.00 141.77 2cu5 s PRO 10 Ca -0.03 1.94 0.05 0.00 0.04 0.00 0.00 61.00 63.01 2cu5 s PRO 10 Cb -0.19 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2cu5 s PRO 10 CO -0.08 -0.07 -0.11 0.95 0.04 0.00 0.00 177.00 177.72 2cu5 s THR 11 N -1.24 1.22 0.67 1.26 -4.23 0.15 -4.91 115.64 108.56 2cu5 s THR 11 Ca 0.50 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 59.01 2cu5 s THR 11 Cb -0.34 -1.72 0.14 0.00 1.34 0.00 0.00 72.50 71.92 2cu5 s THR 11 CO 0.44 -0.63 0.91 -0.81 -0.54 0.00 0.00 174.62 173.98 2cu5 n PRO 12 N 0.06 -0.46 -0.35 3.99 -0.04 -1.26 -2.86 135.00 134.08 2cu5 n PRO 12 Ca -0.12 -1.89 0.07 0.00 -0.04 0.00 0.00 63.50 61.51 2cu5 n PRO 12 Cb 0.59 -0.78 0.23 0.00 -0.04 0.00 0.00 33.50 33.50 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 0.91 -2.17 0.54 5.08 -1.93 -3.30 114.58 113.71 2cu5 h GLU 13 Ca -0.30 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 2cu5 h GLU 13 Cb 0.95 -0.21 -0.22 0.00 0.50 0.00 0.00 28.75 29.77 2cu5 h GLU 13 CO 0.26 0.60 0.00 -2.00 -1.00 0.00 0.00 179.01 176.87 2cu5 s GLU 14 N -5.96 0.70 0.00 2.33 2.12 -1.26 -0.42 118.70 116.21 2cu5 s GLU 14 Ca -0.12 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.20 2cu5 s GLU 14 Cb 0.22 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.87 2cu5 s GLU 14 CO 0.80 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.82 2cu5 n GLY 15 N 3.37 2.60 3.47 -1.50 0.00 -0.24 -4.99 105.19 107.90 2cu5 n GLY 15 Ca -0.17 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 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 3.20 -0.24 1.61 0.40 -1.26 -0.63 117.98 119.06 2cu5 s PHE 16 Ca 0.00 -0.51 -0.18 0.00 -0.60 0.00 0.00 56.93 55.64 2cu5 s PHE 16 Cb 0.00 -2.81 -0.03 0.00 0.51 0.00 0.00 43.02 40.69 2cu5 s PHE 16 CO 0.00 -0.67 0.50 0.08 0.70 0.00 0.00 175.22 175.83 2cu5 s VAL 17 N 1.93 5.09 -0.22 -0.44 1.01 -0.58 -4.90 120.40 122.30 2cu5 s VAL 17 Ca 0.09 0.88 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 2cu5 s VAL 17 Cb -0.18 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2cu5 s VAL 17 CO 0.12 0.12 1.35 0.21 0.00 0.00 0.00 175.10 176.89 2cu5 s ASN 18 N 1.43 6.75 -0.08 3.32 3.84 -1.26 -0.44 114.94 128.50 2cu5 s ASN 18 Ca 0.21 1.52 0.12 0.00 0.21 0.00 0.00 52.86 54.92 2cu5 s ASN 18 Cb -0.16 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.28 2cu5 s ASN 18 CO 0.09 -0.96 1.20 2.30 -2.79 0.00 0.00 177.10 176.94 2cu5 n ILE 19 N 5.85 1.55 -0.03 -5.21 -5.35 -0.00 -4.78 119.36 111.38 2cu5 n ILE 19 Ca 0.15 -1.56 -0.09 0.00 -0.27 0.00 0.00 62.75 60.98 2cu5 n ILE 19 Cb 0.45 0.12 -0.02 0.00 -1.74 0.00 0.00 39.64 38.45 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 0.87 0.41 -0.19 7.28 2.02 -1.88 -1.45 112.91 119.97 2cu5 h THR 20 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 2cu5 h THR 20 Cb 0.91 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2cu5 h THR 20 CO 0.05 0.00 -0.39 0.03 0.37 0.00 0.00 175.52 175.58 2cu5 h ARG 21 N -0.26 0.43 -0.26 6.66 3.08 -1.93 -1.89 114.38 120.20 2cu5 h ARG 21 Ca 0.12 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 2cu5 h ARG 21 Cb 0.45 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2cu5 h ARG 21 CO -0.35 0.75 -0.23 -0.22 -1.07 0.00 0.00 179.97 178.85 2cu5 h LYS 22 N 0.36 0.48 -0.03 0.04 3.64 -1.83 -1.28 116.57 117.96 2cu5 h LYS 22 Ca 0.03 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2cu5 h LYS 22 Cb 0.85 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2cu5 h LYS 22 CO 0.07 0.68 -0.05 0.28 -2.27 0.00 0.00 179.45 178.17 2cu5 h VAL 23 N 0.43 1.43 -0.06 2.00 2.07 -1.11 -3.11 116.25 117.90 2cu5 h VAL 23 Ca 0.07 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.25 2cu5 h VAL 23 Cb 0.64 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2cu5 h VAL 23 CO 0.05 0.36 0.04 -0.33 0.02 0.00 0.00 177.57 177.71 2cu5 h GLU 24 N -0.45 0.00 0.00 1.57 5.08 -1.24 0.78 114.58 120.33 2cu5 h GLU 24 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cu5 h GLU 24 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2cu5 h GLU 24 CO 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 2cu5 n ALA 25 N -2.52 1.55 0.08 3.43 0.00 -0.49 -1.89 120.51 120.66 2cu5 n ALA 25 Ca -0.02 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2cu5 n ALA 25 Cb 0.15 -1.27 0.14 0.00 0.00 0.00 0.00 19.45 18.46 2cu5 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cu5 n ALA 26 N -1.62 2.31 0.14 0.00 0.00 0.26 -4.61 120.51 117.00 2cu5 n ALA 26 Ca 0.02 -0.96 0.07 0.00 0.00 0.00 0.00 53.44 52.57 2cu5 n ALA 26 Cb 0.16 -0.50 0.04 0.00 0.00 0.00 0.00 19.45 19.16 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 2.51 0.00 -2.82 0.00 3.38 -1.32 -3.49 115.31 113.56 2cu5 h LEU 27 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 2cu5 h LEU 27 Cb 0.69 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.47 2cu5 h LEU 27 CO 0.00 0.25 -0.93 -1.20 0.09 0.00 0.00 178.44 176.65 2cu5 n SER 28 N -3.01 -3.31 0.00 -0.43 7.64 -1.26 -1.50 113.62 111.75 2cu5 n SER 28 Ca 0.00 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.83 2cu5 n SER 28 Cb 0.65 -3.03 0.00 0.00 -1.01 0.00 0.00 64.21 60.82 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 -1.85 0.14 3.71 0.23 0.00 -1.26 -4.86 105.19 101.30 2cu5 n GLY 29 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2cu5 n GLY 29 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2cu5 n HIS 30 N -2.26 2.58 -4.05 1.61 -0.00 -0.56 -3.08 115.22 109.46 2cu5 n HIS 30 Ca 0.00 0.19 -0.32 0.00 -0.00 0.00 0.00 57.72 57.60 2cu5 n HIS 30 Cb 0.34 -2.60 -0.15 0.00 -0.00 0.00 0.00 29.99 27.59 2cu5 n HIS 30 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2cu5 s THR 31 N 0.69 2.12 -4.83 3.57 2.01 -1.26 -1.54 115.64 116.41 2cu5 s THR 31 Ca 0.73 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 61.02 2cu5 s THR 31 Cb -0.56 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 69.65 2cu5 s THR 31 CO 0.39 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 2cu5 n GLY 32 N 4.43 -0.35 3.89 4.40 0.00 -0.49 -4.95 105.19 112.12 2cu5 n GLY 32 Ca -0.11 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 4.05 -0.07 0.99 1.43 -0.63 -0.16 118.68 124.28 2cu5 s LEU 33 Ca 0.00 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2cu5 s LEU 33 Cb 0.00 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.59 2cu5 s LEU 33 CO 0.00 -0.20 -0.04 -0.69 0.23 0.00 0.00 176.35 175.65 2cu5 s VAL 34 N -2.07 0.63 -0.16 -1.59 1.01 0.21 -1.77 120.40 116.66 2cu5 s VAL 34 Ca 0.46 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 2cu5 s VAL 34 Cb -0.11 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 2cu5 s VAL 34 CO 0.28 0.27 0.13 -0.47 0.00 0.00 0.00 175.10 175.31 2cu5 s TYR 35 N 1.37 3.47 -0.02 5.22 5.04 0.37 -1.07 117.35 131.73 2cu5 s TYR 35 Ca -0.03 0.39 0.05 0.00 -2.44 0.00 0.00 57.07 55.03 2cu5 s TYR 35 Cb -0.13 -2.06 -0.01 0.00 0.35 0.00 0.00 41.96 40.11 2cu5 s TYR 35 CO -0.03 0.46 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.98 2cu5 s LEU 36 N -0.22 2.00 -0.12 6.97 1.43 -0.27 -1.53 118.68 126.94 2cu5 s LEU 36 Ca 0.11 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 2cu5 s LEU 36 Cb -0.11 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.32 2cu5 s LEU 36 CO 0.01 0.18 0.31 0.12 0.23 0.00 0.00 176.35 177.19 2cu5 s PHE 37 N -0.28 -0.34 -0.21 0.29 5.36 -0.61 -1.27 117.98 120.91 2cu5 s PHE 37 Ca 0.04 0.83 -0.03 0.00 -0.96 0.00 0.00 56.93 56.81 2cu5 s PHE 37 Cb -0.07 0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.72 2cu5 s PHE 37 CO -0.00 -0.17 -0.07 0.14 -1.46 0.00 0.00 175.22 173.66 2cu5 s VAL 38 N 0.23 3.15 -0.14 3.12 -7.23 -0.78 -0.01 120.40 118.74 2cu5 s VAL 38 Ca -0.01 -0.57 -0.05 0.00 -1.81 0.00 0.00 61.98 59.54 2cu5 s VAL 38 Cb -0.03 -2.42 -0.17 0.00 0.56 0.00 0.00 36.38 34.32 2cu5 s VAL 38 CO -0.00 0.44 3.37 -0.81 -0.31 0.00 0.00 175.10 177.80 2cu5 n PRO 39 N 4.75 2.13 -4.15 4.82 -0.04 -1.26 -4.84 135.00 136.40 2cu5 n PRO 39 Ca -0.19 -1.40 -0.12 0.00 -0.04 0.00 0.00 63.50 61.75 2cu5 n PRO 39 Cb 0.51 -2.05 -0.10 0.00 -0.04 0.00 0.00 33.50 31.82 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 0.20 0.89 -0.98 0.54 3.76 -1.26 -5.04 115.29 113.40 2cu5 s HIS 40 Ca 0.65 -0.80 0.12 0.00 -0.15 0.00 0.00 55.06 54.88 2cu5 s HIS 40 Cb 0.34 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.48 2cu5 s HIS 40 CO -0.07 -0.11 0.66 0.25 -0.85 0.00 0.00 174.74 174.62 2cu5 n THR 41 N 0.29 0.00 -1.47 1.30 -2.24 -1.26 -4.59 114.28 106.32 2cu5 n THR 41 Ca -0.14 -0.33 0.07 0.00 -2.27 0.00 0.00 64.05 61.38 2cu5 n THR 41 Cb 0.59 1.11 0.18 0.00 -2.10 0.00 0.00 70.33 70.11 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 -0.50 2.01 -3.70 4.28 -2.24 -1.26 -4.30 114.28 108.57 2cu5 n THR 42 Ca 0.04 -2.82 -0.10 0.00 -2.27 0.00 0.00 64.05 58.90 2cu5 n THR 42 Cb 0.24 -0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.28 3.48 3.12 0.00 0.00 -0.07 -4.75 105.19 106.70 2cu5 n GLY 44 Ca -0.13 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 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 2.05 0.14 0.99 1.43 -0.03 -0.52 118.68 122.73 2cu5 s LEU 45 Ca 0.09 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 2cu5 s LEU 45 Cb 0.00 -0.73 0.05 0.00 0.03 0.00 0.00 46.19 45.54 2cu5 s LEU 45 CO 0.06 0.16 0.50 0.28 0.23 0.00 0.00 176.35 177.58 2cu5 s THR 46 N -0.41 0.04 -0.20 5.49 -1.32 -0.81 -4.43 115.64 114.00 2cu5 s THR 46 Ca 0.05 -0.29 -0.03 0.00 -1.21 0.00 0.00 61.69 60.21 2cu5 s THR 46 Cb -0.06 -1.08 -0.01 0.00 -1.51 0.00 0.00 72.50 69.85 2cu5 s THR 46 CO -0.00 -0.16 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.48 2cu5 s VAL 47 N -3.68 3.20 0.36 5.08 1.01 -1.26 -1.02 120.40 124.08 2cu5 s VAL 47 Ca 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2cu5 s VAL 47 Cb 0.00 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.99 2cu5 s VAL 47 CO -0.12 0.45 0.65 -1.10 0.00 0.00 0.00 175.10 174.99 2cu5 s GLN 48 N 1.25 2.06 0.16 2.72 -1.52 -0.77 -4.92 119.66 118.65 2cu5 s GLN 48 Ca 0.03 -1.53 -0.30 0.00 -1.95 0.00 0.00 55.36 51.61 2cu5 s GLN 48 Cb -0.14 0.55 -0.07 0.00 -0.22 0.00 0.00 33.01 33.12 2cu5 s GLN 48 CO -0.03 -0.92 1.07 -2.00 -0.25 0.00 0.00 175.29 173.16 2cu5 s GLU 49 N -2.74 4.62 -0.02 2.91 2.12 -1.18 -0.87 118.70 123.54 2cu5 s GLU 49 Ca 0.21 1.65 0.02 0.00 0.36 0.00 0.00 54.97 57.21 2cu5 s GLU 49 Cb -0.03 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 2cu5 s GLU 49 CO 0.14 0.11 0.01 0.41 -0.54 0.00 0.00 175.26 175.40 2cu5 n GLY 50 N 2.11 -0.09 0.36 -1.50 0.00 -1.26 -4.45 105.19 100.36 2cu5 n GLY 50 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.10 0.17 -2.17 4.61 0.00 -1.92 -3.22 119.26 116.84 2cu5 h ALA 51 Ca -0.04 0.25 -0.70 0.00 0.00 0.00 0.00 54.91 54.42 2cu5 h ALA 51 Cb 0.97 0.86 -0.19 0.00 0.00 0.00 0.00 17.79 19.43 2cu5 h ALA 51 CO 0.00 -0.60 -0.06 0.34 0.00 0.00 0.00 179.25 178.94 2cu5 s ASP 52 N -5.27 6.21 0.62 0.00 -1.08 -1.26 -4.94 116.67 110.95 2cu5 s ASP 52 Ca -0.14 -0.95 0.34 0.00 -0.52 0.00 0.00 52.55 51.28 2cu5 s ASP 52 Cb 0.20 -2.26 1.85 0.00 -1.46 0.00 0.00 42.92 41.24 2cu5 s ASP 52 CO 0.72 -0.80 2.03 1.55 0.52 0.00 0.00 175.17 179.19 2cu5 h PRO 53 N 8.91 0.00 0.00 4.34 0.13 -1.91 -1.91 132.00 141.57 2cu5 h PRO 53 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2cu5 h PRO 53 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2cu5 h PRO 53 CO 0.92 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.94 2cu5 n THR 54 N -2.86 0.74 0.01 1.56 -2.24 -1.26 -2.92 114.28 107.31 2cu5 n THR 54 Ca -0.02 0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 2cu5 n THR 54 Cb 0.23 -0.95 -0.09 0.00 -2.10 0.00 0.00 70.33 67.42 2cu5 n THR 54 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2cu5 h VAL 55 N 0.00 1.27 -0.17 2.28 2.07 -1.65 -2.06 116.25 117.99 2cu5 h VAL 55 Ca 0.00 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2cu5 h VAL 55 Cb 0.51 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2cu5 h VAL 55 CO 0.00 0.24 -0.08 0.00 0.02 0.00 0.00 177.57 177.75 2cu5 h ALA 56 N 0.49 1.55 -0.07 1.67 0.00 -1.74 -0.89 119.26 120.26 2cu5 h ALA 56 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2cu5 h ALA 56 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2cu5 h ALA 56 CO 0.01 0.33 0.04 1.96 0.00 0.00 0.00 179.25 181.58 2cu5 h GLN 57 N 0.25 0.09 -0.13 0.00 4.20 -1.40 -1.16 115.11 116.95 2cu5 h GLN 57 Ca 0.05 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 2cu5 h GLN 57 Cb 0.31 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2cu5 h GLN 57 CO 0.02 0.06 -0.51 -0.44 -0.67 0.00 0.00 178.83 177.28 2cu5 h ASP 58 N 0.09 0.40 -0.25 1.46 3.32 -0.98 -1.27 116.42 119.19 2cu5 h ASP 58 Ca 0.03 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2cu5 h ASP 58 Cb -0.01 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2cu5 h ASP 58 CO -0.01 0.84 0.10 -0.07 -1.72 0.00 0.00 179.24 178.38 2cu5 h LEU 59 N 0.29 0.34 -0.52 1.55 3.38 -0.96 0.92 115.31 120.31 2cu5 h LEU 59 Ca 0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2cu5 h LEU 59 Cb 1.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2cu5 h LEU 59 CO 0.09 0.41 0.11 -0.07 0.09 0.00 0.00 178.44 179.07 2cu5 h LEU 60 N 0.25 0.80 -0.07 1.67 3.38 -1.14 -0.66 115.31 119.54 2cu5 h LEU 60 Ca 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2cu5 h LEU 60 Cb 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2cu5 h LEU 60 CO -0.01 0.84 0.04 1.23 0.09 0.00 0.00 178.44 180.63 2cu5 h GLY 61 N 0.73 0.10 1.62 0.83 0.00 -1.03 -1.89 103.07 103.43 2cu5 h GLY 61 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 2cu5 h GLY 61 CO 0.00 0.04 -0.16 3.21 0.00 0.00 0.00 176.54 179.64 2cu5 h ARG 62 N 0.01 0.46 -0.17 4.80 3.08 -0.76 -2.64 114.38 119.16 2cu5 h ARG 62 Ca 0.02 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 2cu5 h ARG 62 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2cu5 h ARG 62 CO -0.00 0.61 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.08 2cu5 h LEU 63 N 0.42 0.37 -1.51 3.04 3.38 -0.94 -2.39 115.31 117.69 2cu5 h LEU 63 Ca 0.08 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2cu5 h LEU 63 Cb 0.52 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2cu5 h LEU 63 CO 0.03 0.71 -0.25 0.00 0.09 0.00 0.00 178.44 179.02 2cu5 h ALA 64 N 1.32 1.44 0.00 1.53 0.00 -0.99 0.14 119.26 122.70 2cu5 h ALA 64 Ca 0.03 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 2cu5 h ALA 64 Cb 0.78 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2cu5 h ALA 64 CO 0.06 0.32 -0.93 0.93 0.00 0.00 0.00 179.25 179.63 2cu5 h GLU 65 N 0.00 0.00 0.00 0.00 5.08 -1.26 -1.95 114.58 116.45 2cu5 h GLU 65 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2cu5 h GLU 65 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2cu5 h GLU 65 CO 0.03 0.93 -1.06 -0.07 -1.00 0.00 0.00 179.01 177.84 2cu5 h LEU 66 N 0.00 0.00 -6.01 1.33 3.38 -1.02 -3.39 115.31 109.60 2cu5 h LEU 66 Ca -0.01 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 2cu5 h LEU 66 Cb 1.69 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.04 2cu5 h LEU 66 CO 0.12 0.73 -0.95 0.00 0.09 0.00 0.00 178.44 178.44 2cu5 n ALA 67 N -2.35 2.97 -1.76 1.53 0.00 0.45 -5.10 120.51 116.24 2cu5 n ALA 67 Ca -0.04 -3.86 -0.39 0.00 0.00 0.00 0.00 53.44 49.15 2cu5 n ALA 67 Cb 0.87 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 19.49 2cu5 n ALA 67 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2cu5 s PRO 68 N -1.82 3.59 0.25 0.00 0.04 -0.74 -4.62 135.00 131.70 2cu5 s PRO 68 Ca 0.38 2.14 -0.05 0.00 0.04 0.00 0.00 61.00 63.50 2cu5 s PRO 68 Cb 0.19 -2.49 0.27 0.00 0.04 0.00 0.00 34.50 32.52 2cu5 s PRO 68 CO -0.08 -0.80 1.84 0.00 0.04 0.00 0.00 177.00 178.00 2cu5 h ARG 69 N 2.06 1.11 -5.93 4.56 3.08 -1.95 -3.42 114.38 113.88 2cu5 h ARG 69 Ca -0.50 -0.17 -0.60 0.00 0.07 0.00 0.00 59.98 58.78 2cu5 h ARG 69 Cb 1.27 -0.20 -0.09 0.00 0.08 0.00 0.00 29.97 31.03 2cu5 h ARG 69 CO 0.60 0.87 0.53 -1.58 -1.07 0.00 0.00 179.97 179.32 2cu5 s HIS 70 N -5.58 3.18 -0.29 3.04 2.46 -1.26 -4.81 115.29 112.03 2cu5 s HIS 70 Ca -0.12 0.91 0.02 0.00 0.47 0.00 0.00 55.06 56.35 2cu5 s HIS 70 Cb 0.16 -3.37 0.16 0.00 -0.13 0.00 0.00 32.58 29.40 2cu5 s HIS 70 CO 0.82 -0.64 0.41 0.50 -2.47 0.00 0.00 174.74 173.36 2cu5 s ARG 71 N 3.17 0.41 0.39 2.88 3.52 -1.26 -5.04 118.95 123.02 2cu5 s ARG 71 Ca 0.36 0.13 0.16 0.00 -0.13 0.00 0.00 55.73 56.26 2cu5 s ARG 71 Cb -0.13 -0.31 1.04 0.00 -1.56 0.00 0.00 34.95 33.98 2cu5 s ARG 71 CO 0.14 -1.03 1.79 -1.35 -0.81 0.00 0.00 175.30 174.04 2cu5 h PRO 72 N 8.16 0.44 0.00 5.12 0.11 -2.00 -0.72 132.00 143.12 2cu5 h PRO 72 Ca -0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2cu5 h PRO 72 Cb 1.12 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2cu5 h PRO 72 CO 0.27 0.29 0.00 1.04 -0.21 0.00 0.00 178.00 179.39 2cu5 n GLN 73 N -4.63 0.08 -1.72 1.05 6.02 -1.26 -4.85 117.38 112.07 2cu5 n GLN 73 Ca 0.24 0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.90 2cu5 n GLN 73 Cb 0.79 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 2cu5 n GLN 73 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2cu5 n ASP 74 N -1.45 3.79 0.01 1.08 8.00 -0.28 -4.89 116.55 122.82 2cu5 n ASP 74 Ca 0.07 1.10 0.05 0.00 0.71 0.00 0.00 54.79 56.72 2cu5 n ASP 74 Cb 0.25 -1.56 -0.11 0.00 -0.02 0.00 0.00 41.12 39.68 2cu5 n ASP 74 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2cu5 n ARG 75 N 3.04 0.64 -2.68 -1.24 3.00 -1.26 -4.64 116.66 113.52 2cu5 n ARG 75 Ca 0.13 0.02 -0.43 0.00 -0.01 0.00 0.00 57.85 57.56 2cu5 n ARG 75 Cb 0.35 -1.67 -0.01 0.00 0.00 0.00 0.00 32.46 31.13 2cu5 n ARG 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2cu5 s HIS 76 N -3.16 2.89 -0.83 -1.55 2.46 -1.26 -4.84 115.29 108.99 2cu5 s HIS 76 Ca -0.05 -1.49 0.13 0.00 0.47 0.00 0.00 55.06 54.12 2cu5 s HIS 76 Cb 0.10 -4.61 0.58 0.00 -0.13 0.00 0.00 32.58 28.53 2cu5 s HIS 76 CO 0.84 -1.73 1.41 1.28 -2.47 0.00 0.00 174.74 174.08 2cu5 n LEU 77 N 7.80 0.17 0.32 8.88 4.77 -1.26 -2.62 117.00 135.06 2cu5 n LEU 77 Ca 0.40 0.55 0.19 0.00 -0.03 0.00 0.00 56.01 57.12 2cu5 n LEU 77 Cb 0.47 -0.54 1.01 0.00 -2.33 0.00 0.00 43.42 42.03 2cu5 n LEU 77 CO 0.68 -0.43 1.16 -0.33 -1.33 0.00 0.00 177.39 177.14 2cu5 h GLU 78 N 0.00 0.00 0.00 3.23 3.07 -1.99 -3.45 114.58 115.44 2cu5 h GLU 78 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2cu5 h GLU 78 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 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 -1.18 0.69 1.11 -3.84 0.00 -1.08 -4.98 105.19 95.91 2cu5 n GLY 79 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 3.58 0.22 1.61 6.94 -1.26 -4.59 115.26 121.76 2cu5 n ASN 80 Ca 0.00 -3.27 0.07 0.00 -0.02 0.00 0.00 54.58 51.37 2cu5 n ASN 80 Cb 0.00 -0.60 0.60 0.00 -2.36 0.00 0.00 39.78 37.42 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 1.64 0.06 -0.58 0.53 0.02 -1.93 -0.53 113.55 112.77 2cu5 h SER 81 Ca 0.10 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2cu5 h SER 81 Cb 1.63 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 64.12 2cu5 h SER 81 CO 0.34 0.06 0.23 1.12 -1.14 0.00 0.00 176.83 177.45 2cu5 h HIS 82 N 0.08 0.92 -0.26 3.45 2.07 -1.82 -1.59 115.15 117.99 2cu5 h HIS 82 Ca 0.02 -0.06 -0.15 0.00 -2.85 0.00 0.00 60.37 57.33 2cu5 h HIS 82 Cb 0.02 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 29.71 2cu5 h HIS 82 CO 0.00 0.72 -0.46 0.00 -3.07 0.00 0.00 177.93 175.12 2cu5 h ALA 83 N 1.36 0.71 -0.50 6.11 0.00 -1.40 -1.72 119.26 123.82 2cu5 h ALA 83 Ca 0.21 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2cu5 h ALA 83 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2cu5 h ALA 83 CO -0.02 0.67 0.22 0.45 0.00 0.00 0.00 179.25 180.57 2cu5 h HIS 84 N 0.53 0.75 -0.48 0.00 3.86 -0.95 -0.47 115.15 118.38 2cu5 h HIS 84 Ca 0.03 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 2cu5 h HIS 84 Cb 1.00 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 2cu5 h HIS 84 CO 0.05 0.61 0.13 1.25 0.86 0.00 0.00 177.93 180.82 2cu5 h LEU 85 N 0.67 0.73 -1.11 2.43 5.85 -1.19 -1.45 115.31 121.24 2cu5 h LEU 85 Ca 0.17 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2cu5 h LEU 85 Cb 0.16 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2cu5 h LEU 85 CO -0.02 0.76 0.18 0.11 -0.34 0.00 0.00 178.44 179.14 2cu5 h LYS 86 N 0.65 0.82 -0.30 1.25 1.57 -1.09 -0.31 116.57 119.15 2cu5 h LYS 86 Ca 0.15 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2cu5 h LYS 86 Cb 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2cu5 h LYS 86 CO -0.00 0.70 0.03 1.03 -0.57 0.00 0.00 179.45 180.64 2cu5 h SER 87 N 0.80 0.50 -0.52 0.86 0.87 -0.82 -1.52 113.55 113.71 2cu5 h SER 87 Ca 0.18 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2cu5 h SER 87 Cb 0.22 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2cu5 h SER 87 CO -0.01 0.65 0.22 0.25 -0.53 0.00 0.00 176.83 177.40 2cu5 h LEU 88 N 0.33 0.71 -1.15 2.23 6.46 -0.87 0.25 115.31 123.26 2cu5 h LEU 88 Ca 0.09 -0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 57.64 2cu5 h LEU 88 Cb 0.37 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 2cu5 h LEU 88 CO 0.01 0.67 0.06 -0.07 -0.62 0.00 0.00 178.44 178.50 2cu5 h LEU 89 N 0.70 0.61 0.09 2.25 3.38 -0.98 -3.22 115.31 118.14 2cu5 h LEU 89 Ca 0.17 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2cu5 h LEU 89 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2cu5 h LEU 89 CO -0.02 0.64 -0.96 0.74 0.09 0.00 0.00 178.44 178.94 2cu5 h THR 90 N 0.63 1.30 0.00 0.22 2.02 -1.05 -3.51 112.91 112.53 2cu5 h THR 90 Ca 0.14 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.91 2cu5 h THR 90 Cb 0.30 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2cu5 h THR 90 CO 0.00 0.65 0.00 0.61 0.37 0.00 0.00 175.52 177.15 2cu5 n GLY 91 N 1.66 2.79 0.13 2.16 0.00 0.85 -4.75 105.19 108.02 2cu5 n GLY 91 Ca -0.20 -1.90 0.03 0.00 0.00 0.00 0.00 46.02 43.96 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 0.41 1.23 -3.78 1.61 0.24 -1.26 -0.85 118.33 115.92 2cu5 n VAL 92 Ca 0.00 -1.29 -0.11 0.00 -2.04 0.00 0.00 64.34 60.90 2cu5 n VAL 92 Cb 0.00 0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 32.62 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 -1.45 -0.04 0.05 6.34 -3.43 -1.26 -1.87 115.29 113.63 2cu5 s HIS 93 Ca 0.11 -0.17 -0.03 0.00 -0.80 0.00 0.00 55.06 54.17 2cu5 s HIS 93 Cb 0.08 0.05 -0.03 0.00 -1.43 0.00 0.00 32.58 31.26 2cu5 s HIS 93 CO 0.03 -0.50 0.04 -0.51 -2.00 0.00 0.00 174.74 171.79 2cu5 s LEU 94 N -2.22 2.13 -0.07 5.38 1.43 -0.40 -4.91 118.68 120.02 2cu5 s LEU 94 Ca -0.03 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.26 2cu5 s LEU 94 Cb 0.00 0.42 0.03 0.00 0.03 0.00 0.00 46.19 46.68 2cu5 s LEU 94 CO -0.05 -0.57 0.04 -0.22 0.23 0.00 0.00 176.35 175.78 2cu5 s LEU 95 N -2.59 0.38 0.23 1.79 2.96 -1.26 -1.11 118.68 119.07 2cu5 s LEU 95 Ca 0.02 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2cu5 s LEU 95 Cb 0.04 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.39 2cu5 s LEU 95 CO -0.08 -0.24 -0.01 -0.76 -1.32 0.00 0.00 176.35 173.94 2cu5 s LEU 96 N 2.08 2.22 0.09 -0.68 1.43 -0.24 -4.95 118.68 118.64 2cu5 s LEU 96 Ca 0.04 -1.20 0.02 0.00 -1.03 0.00 0.00 54.13 51.96 2cu5 s LEU 96 Cb -0.13 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 2cu5 s LEU 96 CO -0.05 -0.49 0.17 -0.76 0.23 0.00 0.00 176.35 175.45 2cu5 s LEU 97 N -3.30 4.10 0.03 1.79 1.43 -1.26 0.65 118.68 122.12 2cu5 s LEU 97 Ca 0.27 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2cu5 s LEU 97 Cb 0.05 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 2cu5 s LEU 97 CO 0.08 0.14 -0.06 0.00 0.23 0.00 0.00 176.35 176.75 2cu5 s ALA 98 N -1.53 0.39 -0.17 4.21 0.00 0.77 0.28 121.76 125.71 2cu5 s ALA 98 Ca 0.32 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2cu5 s ALA 98 Cb -0.12 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.15 2cu5 s ALA 98 CO 0.25 -0.10 -0.04 -2.00 0.00 0.00 0.00 175.76 173.87 2cu5 s GLU 99 N -1.70 1.34 -1.35 0.00 2.12 0.21 -1.40 118.70 117.93 2cu5 s GLU 99 Ca -0.11 -0.55 -0.03 0.00 0.36 0.00 0.00 54.97 54.64 2cu5 s GLU 99 Cb -0.09 -2.06 -0.00 0.00 0.26 0.00 0.00 34.13 32.24 2cu5 s GLU 99 CO -0.01 -0.47 0.52 1.63 -0.54 0.00 0.00 175.26 176.39 2cu5 n LYS 100 N 4.88 -3.28 -0.30 4.30 5.02 -1.07 -1.80 118.16 125.91 2cu5 n LYS 100 Ca -0.11 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2cu5 n LYS 100 Cb 0.47 -4.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.91 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 -1.87 1.43 3.38 0.72 0.00 -0.59 -4.57 105.19 103.69 2cu5 n GLY 101 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.35 2.57 0.22 1.61 1.81 -0.74 -4.73 118.95 119.34 2cu5 s ARG 102 Ca 0.00 -0.79 -0.30 0.00 -1.72 0.00 0.00 55.73 52.91 2cu5 s ARG 102 Cb 0.00 -2.29 -0.10 0.00 -0.45 0.00 0.00 34.95 32.11 2cu5 s ARG 102 CO 0.00 0.49 1.45 -0.51 -0.68 0.00 0.00 175.30 176.05 2cu5 s LEU 103 N -0.41 4.38 -0.78 2.53 1.43 -1.26 0.65 118.68 125.23 2cu5 s LEU 103 Ca 0.04 2.62 -0.22 0.00 -1.03 0.00 0.00 54.13 55.54 2cu5 s LEU 103 Cb -0.12 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.57 2cu5 s LEU 103 CO 0.02 -0.71 1.08 -0.60 0.23 0.00 0.00 176.35 176.37 2cu5 s ARG 104 N 0.05 3.30 0.27 1.70 3.52 0.14 -4.80 118.95 123.13 2cu5 s ARG 104 Ca 0.62 -1.07 0.09 0.00 -0.13 0.00 0.00 55.73 55.23 2cu5 s ARG 104 Cb -0.42 -4.53 -0.05 0.00 -1.56 0.00 0.00 34.95 28.39 2cu5 s ARG 104 CO 0.40 -1.87 -0.13 -0.51 -0.81 0.00 0.00 175.30 172.38 2cu5 s LEU 105 N 3.90 2.57 0.99 -0.88 1.43 -1.26 -4.57 118.68 120.87 2cu5 s LEU 105 Ca 0.28 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 52.15 2cu5 s LEU 105 Cb -0.11 -0.83 0.18 0.00 0.03 0.00 0.00 46.19 45.47 2cu5 s LEU 105 CO 0.03 -0.17 1.11 -0.83 0.23 0.00 0.00 176.35 176.72 2cu5 s GLY 106 N -3.45 1.57 0.21 -3.19 0.00 -1.26 -4.90 107.32 96.30 2cu5 s GLY 106 Ca 0.28 -0.50 -0.16 0.00 0.00 0.00 0.00 44.72 44.35 2cu5 s GLY 106 CO 0.12 0.13 1.59 -0.09 0.00 0.00 0.00 173.10 174.85 2cu5 h ARG 107 N -1.84 -0.07 -0.75 2.90 2.43 -2.04 -2.36 114.38 112.65 2cu5 h ARG 107 Ca -0.53 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.21 2cu5 h ARG 107 Cb 1.33 0.02 -0.25 0.00 -0.42 0.00 0.00 29.97 30.65 2cu5 h ARG 107 CO 0.57 -0.04 0.31 0.91 -1.51 0.00 0.00 179.97 180.20 2cu5 n TRP 108 N -5.47 2.40 -4.62 2.20 5.03 -1.26 -4.99 117.44 110.72 2cu5 n TRP 108 Ca 0.08 -2.05 -0.34 0.00 3.03 0.00 0.00 57.50 58.22 2cu5 n TRP 108 Cb 0.37 -0.84 -0.11 0.00 -1.03 0.00 0.00 31.31 29.70 2cu5 n TRP 108 CO 0.00 0.00 0.00 -0.65 -0.03 0.00 0.00 177.69 177.01 2cu5 s GLN 109 N -3.42 2.80 0.03 -0.99 -0.21 -0.89 -3.13 119.66 113.84 2cu5 s GLN 109 Ca 0.54 -0.55 -0.00 0.00 0.02 0.00 0.00 55.36 55.36 2cu5 s GLN 109 Cb 0.46 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 2cu5 s GLN 109 CO 0.04 0.64 -0.03 -0.65 -2.12 0.00 0.00 175.29 173.16 2cu5 s GLN 110 N -0.73 0.44 -0.18 2.91 -1.52 -0.05 -4.73 119.66 115.80 2cu5 s GLN 110 Ca 0.11 -0.85 -0.16 0.00 -1.95 0.00 0.00 55.36 52.51 2cu5 s GLN 110 Cb -0.11 0.13 -0.04 0.00 -0.22 0.00 0.00 33.01 32.77 2cu5 s GLN 110 CO 0.02 -0.07 0.41 0.08 -0.25 0.00 0.00 175.29 175.48 2cu5 s VAL 111 N -2.41 5.20 0.01 1.09 1.01 -1.26 -1.85 120.40 122.20 2cu5 s VAL 111 Ca -0.07 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.76 2cu5 s VAL 111 Cb -0.03 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2cu5 s VAL 111 CO -0.04 0.28 -0.24 -0.36 0.00 0.00 0.00 175.10 174.73 2cu5 s PHE 112 N 1.06 2.17 -0.40 5.22 0.08 -0.19 -0.82 117.98 125.10 2cu5 s PHE 112 Ca 0.21 -0.41 -0.15 0.00 0.12 0.00 0.00 56.93 56.70 2cu5 s PHE 112 Cb -0.15 -1.35 0.02 0.00 -0.57 0.00 0.00 43.02 40.97 2cu5 s PHE 112 CO 0.08 0.03 0.34 -1.17 -0.10 0.00 0.00 175.22 174.40 2cu5 s LEU 113 N -0.87 4.97 -0.57 -0.37 0.20 0.41 -1.93 118.68 120.51 2cu5 s LEU 113 Ca 0.10 -0.77 -0.25 0.00 0.69 0.00 0.00 54.13 53.90 2cu5 s LEU 113 Cb -0.09 -2.23 0.04 0.00 -0.43 0.00 0.00 46.19 43.48 2cu5 s LEU 113 CO 0.00 -0.47 0.99 0.00 -0.29 0.00 0.00 176.35 176.58 2cu5 s ALA 114 N 1.83 3.12 -0.12 5.97 0.00 0.32 -1.52 121.76 131.35 2cu5 s ALA 114 Ca 0.07 -1.26 -0.22 0.00 0.00 0.00 0.00 51.96 50.55 2cu5 s ALA 114 Cb -0.18 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 2cu5 s ALA 114 CO 0.11 -2.50 0.67 -2.00 0.00 0.00 0.00 175.76 172.05 2cu5 s GLU 115 N 4.15 4.35 0.00 0.00 2.56 0.20 -0.89 118.70 129.07 2cu5 s GLU 115 Ca 0.31 0.78 0.00 0.00 0.00 0.00 0.00 54.97 56.06 2cu5 s GLU 115 Cb -0.12 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.51 2cu5 s GLU 115 CO 0.19 -0.06 0.26 1.19 -0.56 0.00 0.00 175.26 176.28 2cu5 n PHE 116 N 4.31 0.00 -2.76 5.30 3.72 -1.17 -1.08 117.46 125.78 2cu5 n PHE 116 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 2cu5 n PHE 116 Cb 0.51 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.11 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 -0.41 -0.36 -0.43 4.37 2.03 -1.18 -4.69 116.55 115.88 2cu5 n ASP 117 Ca 0.00 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.49 2cu5 n ASP 117 Cb 0.01 0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 1.65 3.81 0.27 0.00 0.44 -4.82 105.19 106.41 2cu5 n GLY 118 Ca 0.07 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 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 2.32 4.32 0.34 1.61 0.04 -1.24 -4.46 135.00 137.93 2cu5 s PRO 119 Ca 0.00 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 61.95 2cu5 s PRO 119 Cb 0.00 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.78 2cu5 s PRO 119 CO 0.00 0.32 0.58 0.54 0.04 0.00 0.00 177.00 178.48 2cu5 n ARG 120 N 0.52 0.83 -3.78 4.56 1.74 -1.13 -4.96 116.66 114.45 2cu5 n ARG 120 Ca -0.00 -2.31 -0.37 0.00 -0.77 0.00 0.00 57.85 54.40 2cu5 n ARG 120 Cb 0.51 2.51 -0.12 0.00 -1.02 0.00 0.00 32.46 34.34 2cu5 n ARG 120 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2cu5 s VAL 121 N -2.50 3.43 0.38 1.55 1.01 -1.26 0.32 120.40 123.33 2cu5 s VAL 121 Ca 0.21 -1.68 -0.02 0.00 0.00 0.00 0.00 61.98 60.49 2cu5 s VAL 121 Cb -0.03 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2cu5 s VAL 121 CO 0.15 -0.46 0.62 -0.13 0.00 0.00 0.00 175.10 175.28 2cu5 s ARG 122 N 1.25 3.52 0.05 2.72 1.81 0.32 -4.81 118.95 123.81 2cu5 s ARG 122 Ca 0.03 -0.13 0.04 0.00 -1.72 0.00 0.00 55.73 53.96 2cu5 s ARG 122 Cb -0.22 -2.57 -0.04 0.00 -0.45 0.00 0.00 34.95 31.68 2cu5 s ARG 122 CO -0.02 0.05 -0.05 -1.21 -0.68 0.00 0.00 175.30 173.39 2cu5 s GLU 123 N -4.36 2.47 -0.06 3.54 2.02 -1.26 0.23 118.70 121.28 2cu5 s GLU 123 Ca 0.43 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.61 2cu5 s GLU 123 Cb -0.10 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.67 2cu5 s GLU 123 CO 0.38 0.56 -0.06 0.08 0.02 0.00 0.00 175.26 176.24 2cu5 s VAL 124 N -1.16 0.72 -0.10 2.63 1.01 -0.80 -4.30 120.40 118.40 2cu5 s VAL 124 Ca 0.21 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 2cu5 s VAL 124 Cb -0.11 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 2cu5 s VAL 124 CO 0.13 0.28 0.29 0.26 0.00 0.00 0.00 175.10 176.05 2cu5 s TRP 125 N 1.06 3.57 -0.07 5.22 0.51 0.99 -0.75 118.94 129.46 2cu5 s TRP 125 Ca -0.08 0.69 0.04 0.00 -2.12 0.00 0.00 56.10 54.63 2cu5 s TRP 125 Cb -0.14 -2.22 -0.00 0.00 -0.81 0.00 0.00 33.47 30.29 2cu5 s TRP 125 CO -0.01 0.49 -0.21 0.08 -0.51 0.00 0.00 176.95 176.79 2cu5 s VAL 126 N -0.37 1.76 -0.02 4.03 1.01 0.29 -1.57 120.40 125.53 2cu5 s VAL 126 Ca 0.18 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2cu5 s VAL 126 Cb -0.14 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.73 2cu5 s VAL 126 CO 0.07 0.50 -0.02 -0.60 0.00 0.00 0.00 175.10 175.05 2cu5 s ARG 127 N 0.21 0.34 -0.04 2.72 3.52 -0.58 -0.55 118.95 124.57 2cu5 s ARG 127 Ca -0.11 -0.01 -0.13 0.00 -0.13 0.00 0.00 55.73 55.35 2cu5 s ARG 127 Cb -0.15 -0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 32.75 2cu5 s ARG 127 CO 0.05 -0.06 0.35 -0.51 -0.81 0.00 0.00 175.30 174.32 2cu5 s LEU 128 N 0.64 4.43 0.00 -0.88 1.43 -1.26 -0.47 118.68 122.56 2cu5 s LEU 128 Ca -0.07 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 2cu5 s LEU 128 Cb -0.10 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.65 2cu5 s LEU 128 CO -0.01 0.31 0.00 0.00 0.23 0.00 0.00 176.35 176.88