#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 h GLU 2 N 0.00 0.34 -6.49 1.09 4.39 -2.00 -3.43 114.58 108.48 3cx5 h GLU 2 Ca 0.00 -0.07 -0.53 0.00 0.34 0.00 0.00 59.36 59.10 3cx5 h GLU 2 Cb 0.00 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3cx5 h GLU 2 CO 0.00 0.41 0.87 0.12 -1.16 0.00 0.00 179.01 179.25 3cx5 s PHE 3 N -4.89 2.86 -0.07 4.33 5.36 -1.26 -5.01 117.98 119.30 3cx5 s PHE 3 Ca -0.06 0.65 0.06 0.00 -0.96 0.00 0.00 56.93 56.61 3cx5 s PHE 3 Cb 0.16 -3.82 -0.01 0.00 -0.34 0.00 0.00 43.02 39.01 3cx5 s PHE 3 CO 0.74 -3.10 -0.24 0.15 -1.46 0.00 0.00 175.22 171.30 3cx5 s LYS 4 N 1.87 2.64 0.28 10.12 -0.14 -1.26 -5.07 119.74 128.18 3cx5 s LYS 4 Ca 0.69 -0.89 -0.30 0.00 -1.36 0.00 0.00 55.97 54.11 3cx5 s LYS 4 Cb -0.38 -2.17 -0.11 0.00 -1.68 0.00 0.00 37.83 33.49 3cx5 s LYS 4 CO 0.30 0.33 1.50 0.00 -0.76 0.00 0.00 175.35 176.72 3cx5 s ALA 5 N -0.03 3.67 0.00 5.17 0.00 -1.26 -4.69 121.76 124.62 3cx5 s ALA 5 Ca -0.07 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3cx5 s ALA 5 Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3cx5 s ALA 5 CO 0.05 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3cx5 n GLY 6 N 1.98 5.81 3.64 0.00 0.00 -1.26 -5.00 105.19 110.37 3cx5 n GLY 6 Ca 0.07 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3cx5 n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cx5 s SER 7 N 1.00 6.84 0.42 1.61 1.04 -1.26 -4.92 113.70 118.43 3cx5 s SER 7 Ca 0.00 1.05 0.20 0.00 0.48 0.00 0.00 55.95 57.68 3cx5 s SER 7 Cb 0.00 -2.44 0.91 0.00 0.10 0.00 0.00 66.02 64.59 3cx5 s SER 7 CO 0.00 -0.53 1.85 0.00 0.98 0.00 0.00 173.24 175.54 3cx5 h ALA 8 N 7.67 1.16 -0.19 5.32 0.00 -1.90 -2.32 119.26 128.99 3cx5 h ALA 8 Ca -0.23 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3cx5 h ALA 8 Cb 1.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3cx5 h ALA 8 CO 0.88 0.37 -0.03 0.87 0.00 0.00 0.00 179.25 181.34 3cx5 h LYS 9 N 0.00 0.36 -0.03 0.00 1.57 -1.91 -1.57 116.57 114.99 3cx5 h LYS 9 Ca -0.00 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 3cx5 h LYS 9 Cb 0.69 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3cx5 h LYS 9 CO 0.04 0.59 -0.47 -0.22 -0.57 0.00 0.00 179.45 178.82 3cx5 h LYS 10 N 0.09 0.06 -0.16 3.15 3.64 -1.89 -2.85 116.57 118.61 3cx5 h LYS 10 Ca 0.05 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 3cx5 h LYS 10 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3cx5 h LYS 10 CO 0.01 0.52 -0.46 0.78 -2.27 0.00 0.00 179.45 178.04 3cx5 h GLY 11 N 1.40 0.42 1.53 5.01 0.00 -1.26 -2.50 103.07 107.67 3cx5 h GLY 11 Ca -0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 3cx5 h GLY 11 CO 0.06 0.40 -0.09 0.00 0.00 0.00 0.00 176.54 176.91 3cx5 h ALA 12 N 1.20 1.21 -0.16 3.60 0.00 -1.05 -0.47 119.26 123.58 3cx5 h ALA 12 Ca 0.02 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 3cx5 h ALA 12 Cb 0.93 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3cx5 h ALA 12 CO 0.08 0.51 -0.62 1.79 0.00 0.00 0.00 179.25 181.02 3cx5 h THR 13 N 0.53 1.33 -0.49 0.00 1.35 -1.43 -0.96 112.91 113.24 3cx5 h THR 13 Ca 0.10 -1.89 -0.10 0.00 -0.55 0.00 0.00 66.41 63.97 3cx5 h THR 13 Cb 0.48 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 3cx5 h THR 13 CO 0.03 0.59 -0.08 -0.07 -0.25 0.00 0.00 175.52 175.73 3cx5 h LEU 14 N 0.42 0.87 -0.42 3.87 3.38 -1.04 -1.46 115.31 120.92 3cx5 h LEU 14 Ca -0.01 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 3cx5 h LEU 14 Cb 1.18 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3cx5 h LEU 14 CO 0.12 0.98 -0.46 0.15 0.09 0.00 0.00 178.44 179.31 3cx5 h PHE 15 N 0.80 1.01 -0.16 1.13 3.04 -0.94 0.16 116.94 121.97 3cx5 h PHE 15 Ca 0.14 -0.32 -0.00 0.00 3.98 0.00 0.00 57.97 61.76 3cx5 h PHE 15 Cb 0.59 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 3cx5 h PHE 15 CO 0.03 1.13 0.09 -0.22 -2.02 0.00 0.00 178.31 177.32 3cx5 h LYS 16 N 0.66 0.23 0.00 1.11 3.64 -0.94 0.68 116.57 121.95 3cx5 h LYS 16 Ca 0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3cx5 h LYS 16 Cb 1.04 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3cx5 h LYS 16 CO 0.10 0.25 -0.76 1.79 -2.27 0.00 0.00 179.45 178.56 3cx5 h THR 17 N 0.15 0.10 0.00 1.00 1.35 -1.28 -3.35 112.91 110.88 3cx5 h THR 17 Ca 0.06 -1.17 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 3cx5 h THR 17 Cb 0.09 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3cx5 h THR 17 CO -0.01 0.06 -1.31 0.54 -0.25 0.00 0.00 175.52 174.55 3cx5 n ARG 18 N -2.84 0.45 0.00 4.72 5.12 0.55 -4.89 116.66 119.77 3cx5 n ARG 18 Ca 0.00 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3cx5 n ARG 18 Cb 0.58 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 3cx5 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3cx5 h LEU 20 N 0.00 0.00 -0.95 0.00 5.85 0.14 0.04 115.31 120.39 3cx5 h LEU 20 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3cx5 h LEU 20 Cb 0.69 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 3cx5 h LEU 20 CO 0.00 0.00 0.63 -0.61 -0.34 0.00 0.00 178.44 178.12 3cx5 h GLN 21 N 0.00 1.23 0.00 1.25 5.75 -1.84 -3.26 115.11 118.25 3cx5 h GLN 21 Ca 0.27 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 3cx5 h GLN 21 Cb 1.43 -0.28 0.00 0.00 1.07 0.00 0.00 27.48 29.70 3cx5 h GLN 21 CO -0.00 0.82 -0.68 0.00 -2.65 0.00 0.00 178.83 176.31 3cx5 s HIS 23 N -2.11 1.43 0.12 0.00 3.76 -0.12 -1.09 115.29 117.29 3cx5 s HIS 23 Ca 0.02 -0.57 0.08 0.00 -0.15 0.00 0.00 55.06 54.44 3cx5 s HIS 23 Cb 0.07 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 3cx5 s HIS 23 CO 0.42 0.17 -0.19 0.95 -0.85 0.00 0.00 174.74 175.23 3cx5 s THR 24 N -2.33 1.69 -0.02 1.30 -4.23 -1.26 -4.30 115.64 106.48 3cx5 s THR 24 Ca 0.11 -1.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.01 3cx5 s THR 24 Cb -0.04 -1.62 -0.08 0.00 1.34 0.00 0.00 72.50 72.11 3cx5 s THR 24 CO 0.03 -0.18 0.09 1.33 -0.54 0.00 0.00 174.62 175.36 3cx5 n VAL 25 N 0.80 0.08 -1.84 2.29 0.24 -1.26 -1.57 118.33 117.07 3cx5 n VAL 25 Ca -0.17 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.34 61.62 3cx5 n VAL 25 Cb 0.55 0.07 0.05 0.00 -1.47 0.00 0.00 33.84 33.04 3cx5 n VAL 25 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3cx5 s GLU 26 N -2.31 2.72 0.07 7.34 1.03 -1.26 -3.98 118.70 122.31 3cx5 s GLU 26 Ca -0.02 1.89 -0.31 0.00 0.03 0.00 0.00 54.97 56.56 3cx5 s GLU 26 Cb 0.03 -1.89 -0.08 0.00 -0.80 0.00 0.00 34.13 31.39 3cx5 s GLU 26 CO 0.22 -1.42 1.66 0.21 -1.33 0.00 0.00 175.26 174.60 3cx5 s LYS 27 N -3.44 4.20 0.00 -4.83 2.36 -1.26 -1.43 119.74 115.34 3cx5 s LYS 27 Ca 0.79 2.34 0.00 0.00 -2.55 0.00 0.00 55.97 56.54 3cx5 s LYS 27 Cb -0.32 -3.61 0.00 0.00 -1.05 0.00 0.00 37.83 32.84 3cx5 s LYS 27 CO 0.37 -0.74 0.00 0.41 1.55 0.00 0.00 175.35 176.94 3cx5 n GLY 28 N 4.01 0.51 3.77 5.54 0.00 -1.26 -5.03 105.19 112.74 3cx5 n GLY 28 Ca 0.16 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3cx5 n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cx5 s GLY 29 N -2.31 2.76 0.60 -0.02 0.00 -0.51 -5.02 107.32 102.81 3cx5 s GLY 29 Ca 0.00 0.88 -0.17 0.00 0.00 0.00 0.00 44.72 45.43 3cx5 s GLY 29 CO 0.00 1.33 1.12 2.56 0.00 0.00 0.00 173.10 178.10 3cx5 s PRO 30 N -2.71 3.11 0.37 2.90 0.04 -1.26 -4.71 135.00 132.73 3cx5 s PRO 30 Ca 0.63 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 3cx5 s PRO 30 Cb -0.27 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 3cx5 s PRO 30 CO 0.33 -1.03 0.82 -1.01 0.04 0.00 0.00 177.00 176.15 3cx5 s HIS 31 N -2.05 3.35 0.00 0.56 3.76 -1.26 -4.50 115.29 115.14 3cx5 s HIS 31 Ca 0.70 1.37 0.00 0.00 -0.15 0.00 0.00 55.06 56.98 3cx5 s HIS 31 Cb -0.22 -2.66 0.00 0.00 1.11 0.00 0.00 32.58 30.81 3cx5 s HIS 31 CO 0.34 0.01 0.00 1.63 -0.85 0.00 0.00 174.74 175.86 3cx5 n LYS 32 N -0.50 0.00 0.05 1.40 5.02 -1.26 -4.97 118.16 117.90 3cx5 n LYS 32 Ca 0.05 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 3cx5 n LYS 32 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.58 3cx5 n LYS 32 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3cx5 h VAL 33 N 0.00 1.38 -1.90 -0.18 2.07 -1.83 -3.45 116.25 112.34 3cx5 h VAL 33 Ca 0.00 -2.10 -0.60 0.00 0.82 0.00 0.00 66.70 64.82 3cx5 h VAL 33 Cb 0.00 2.08 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 3cx5 h VAL 33 CO 0.00 0.63 -0.63 -0.83 0.02 0.00 0.00 177.57 176.76 3cx5 s GLY 34 N -4.30 2.13 0.53 2.17 0.00 -0.25 -5.03 107.32 102.57 3cx5 s GLY 34 Ca -0.06 -2.02 -0.17 0.00 0.00 0.00 0.00 44.72 42.47 3cx5 s GLY 34 CO 0.84 -1.95 1.02 2.56 0.00 0.00 0.00 173.10 175.57 3cx5 s PRO 35 N -3.69 3.72 0.33 2.90 0.04 -1.26 -4.69 135.00 132.34 3cx5 s PRO 35 Ca 0.34 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 3cx5 s PRO 35 Cb 0.01 -2.09 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 3cx5 s PRO 35 CO 0.19 -0.47 1.41 -1.71 0.04 0.00 0.00 177.00 176.46 3cx5 n ASN 36 N -1.52 3.24 -0.92 6.66 2.85 -1.26 -4.62 115.26 119.69 3cx5 n ASN 36 Ca 0.08 1.20 0.11 0.00 -0.11 0.00 0.00 54.58 55.86 3cx5 n ASN 36 Cb 0.53 -1.53 0.27 0.00 1.24 0.00 0.00 39.78 40.28 3cx5 n ASN 36 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3cx5 n LEU 37 N 1.07 2.77 -4.72 1.20 4.77 -0.61 -4.95 117.00 116.53 3cx5 n LEU 37 Ca 0.05 -1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 54.46 3cx5 n LEU 37 Cb 0.36 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3cx5 n LEU 37 CO 0.63 0.58 1.14 -2.28 -1.33 0.00 0.00 177.39 176.13 3cx5 s HIS 38 N -1.65 3.13 -0.35 -1.77 2.46 -1.26 -2.22 115.29 113.64 3cx5 s HIS 38 Ca 0.36 0.83 0.00 0.00 0.47 0.00 0.00 55.06 56.72 3cx5 s HIS 38 Cb 0.21 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 3cx5 s HIS 38 CO 0.30 -2.86 0.00 0.41 -2.47 0.00 0.00 174.74 170.11 3cx5 n GLY 39 N 3.33 0.60 0.26 1.59 0.00 -1.26 -4.95 105.19 104.76 3cx5 n GLY 39 Ca 0.11 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3cx5 n GLY 39 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3cx5 h ILE 40 N 0.00 1.28 -3.65 -0.61 6.09 -1.81 -3.39 117.51 115.42 3cx5 h ILE 40 Ca -0.07 -1.46 -0.51 0.00 -1.37 0.00 0.00 64.86 61.45 3cx5 h ILE 40 Cb 0.30 1.32 0.02 0.00 0.47 0.00 0.00 36.82 38.93 3cx5 h ILE 40 CO 0.10 0.49 0.53 -0.36 -3.07 0.00 0.00 178.15 175.84 3cx5 s PHE 41 N -4.51 3.45 0.00 2.19 0.40 -1.26 -2.43 117.98 115.81 3cx5 s PHE 41 Ca -0.11 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 3cx5 s PHE 41 Cb 0.11 -3.40 0.00 0.00 0.51 0.00 0.00 43.02 40.24 3cx5 s PHE 41 CO 0.87 -1.02 0.00 0.41 0.70 0.00 0.00 175.22 176.17 3cx5 n GLY 42 N 1.66 0.91 3.47 4.36 0.00 -0.37 -5.00 105.19 110.22 3cx5 n GLY 42 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3cx5 n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cx5 s ARG 43 N -0.08 1.69 0.37 1.61 3.52 -1.02 -4.92 118.95 120.13 3cx5 s ARG 43 Ca 0.00 -1.48 -0.16 0.00 -0.13 0.00 0.00 55.73 53.96 3cx5 s ARG 43 Cb 0.00 -1.93 -0.09 0.00 -1.56 0.00 0.00 34.95 31.37 3cx5 s ARG 43 CO 0.00 0.40 0.81 -1.01 -0.81 0.00 0.00 175.30 174.69 3cx5 s HIS 44 N -1.77 3.38 0.56 5.12 3.76 -1.26 -1.80 115.29 123.29 3cx5 s HIS 44 Ca 0.23 1.30 -0.21 0.00 -0.15 0.00 0.00 55.06 56.22 3cx5 s HIS 44 Cb -0.08 -2.61 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 3cx5 s HIS 44 CO 0.12 -0.02 1.33 -1.54 -0.85 0.00 0.00 174.74 173.78 3cx5 s SER 45 N -2.45 5.18 -1.00 1.40 1.04 -0.18 -3.78 113.70 113.91 3cx5 s SER 45 Ca 0.56 2.70 -0.03 0.00 0.48 0.00 0.00 55.95 59.66 3cx5 s SER 45 Cb -0.10 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3cx5 s SER 45 CO 0.20 -1.62 0.86 0.61 0.98 0.00 0.00 173.24 174.26 3cx5 n GLY 46 N 0.73 -0.21 0.00 7.32 0.00 -1.26 -4.64 105.19 107.13 3cx5 n GLY 46 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3cx5 n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cx5 n GLN 47 N -3.74 3.26 -1.95 1.61 6.02 -1.25 -4.86 117.38 116.47 3cx5 n GLN 47 Ca -0.12 -0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.34 3cx5 n GLN 47 Cb 0.60 -0.50 -0.03 0.00 1.02 0.00 0.00 30.24 31.33 3cx5 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3cx5 s ALA 48 N -0.50 3.47 0.18 -1.58 0.00 -1.26 -4.94 121.76 117.13 3cx5 s ALA 48 Ca 0.00 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 52.53 3cx5 s ALA 48 Cb 0.00 -3.81 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 3cx5 s ALA 48 CO 0.00 -1.65 1.41 -1.83 0.00 0.00 0.00 175.76 173.69 3cx5 s GLU 49 N 4.42 4.31 0.00 0.00 -1.05 -1.26 -3.15 118.70 121.96 3cx5 s GLU 49 Ca 0.77 2.17 0.00 0.00 -0.15 0.00 0.00 54.97 57.76 3cx5 s GLU 49 Cb -0.33 -3.19 0.00 0.00 -0.44 0.00 0.00 34.13 30.18 3cx5 s GLU 49 CO 0.32 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.52 3cx5 n GLY 50 N 2.94 1.05 3.59 -3.83 0.00 -1.26 -5.08 105.19 102.59 3cx5 n GLY 50 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3cx5 n GLY 50 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cx5 s TYR 51 N -2.13 2.95 -0.55 1.61 5.04 -1.19 -5.06 117.35 118.02 3cx5 s TYR 51 Ca 0.00 0.03 -0.17 0.00 -2.44 0.00 0.00 57.07 54.49 3cx5 s TYR 51 Cb 0.00 -1.71 0.11 0.00 0.35 0.00 0.00 41.96 40.71 3cx5 s TYR 51 CO 0.00 0.34 0.58 -1.12 -1.34 0.00 0.00 175.55 174.01 3cx5 s SER 52 N -0.85 6.19 0.68 4.32 0.01 -1.26 -4.94 113.70 117.84 3cx5 s SER 52 Ca 0.13 -1.53 -0.06 0.00 1.31 0.00 0.00 55.95 55.80 3cx5 s SER 52 Cb -0.11 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 63.92 3cx5 s SER 52 CO 0.02 -0.94 0.98 -0.31 0.41 0.00 0.00 173.24 173.40 3cx5 s TYR 53 N 2.12 2.93 0.42 2.43 2.02 -1.26 -5.09 117.35 120.92 3cx5 s TYR 53 Ca 0.07 0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 57.11 3cx5 s TYR 53 Cb -0.26 -3.12 -0.05 0.00 -0.40 0.00 0.00 41.96 38.13 3cx5 s TYR 53 CO 0.05 -1.31 0.73 0.95 -1.57 0.00 0.00 175.55 174.40 3cx5 s THR 54 N -3.17 4.90 0.47 -0.71 -4.23 -1.26 -4.96 115.64 106.68 3cx5 s THR 54 Ca 0.59 0.25 0.16 0.00 -1.18 0.00 0.00 61.69 61.52 3cx5 s THR 54 Cb -0.11 -3.81 0.22 0.00 1.34 0.00 0.00 72.50 70.15 3cx5 s THR 54 CO 0.44 -0.65 2.05 0.44 -0.54 0.00 0.00 174.62 176.36 3cx5 h ASP 55 N 0.79 0.00 -0.72 3.99 5.19 -1.98 -2.17 116.42 121.51 3cx5 h ASP 55 Ca -0.47 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.89 3cx5 h ASP 55 Cb 1.20 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.68 3cx5 h ASP 55 CO 0.63 0.12 0.27 0.00 -3.12 0.00 0.00 179.24 177.14 3cx5 h ALA 56 N 1.88 1.08 -0.12 3.45 0.00 -1.88 0.24 119.26 123.92 3cx5 h ALA 56 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3cx5 h ALA 56 Cb 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3cx5 h ALA 56 CO 0.02 0.64 -0.31 -0.97 0.00 0.00 0.00 179.25 178.63 3cx5 h ASN 57 N 1.07 0.48 -0.17 0.00 -0.73 -1.71 -2.65 115.58 111.88 3cx5 h ASN 57 Ca 0.24 -0.58 -0.03 0.00 1.87 0.00 0.00 56.30 57.80 3cx5 h ASN 57 Cb 0.24 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 3cx5 h ASN 57 CO -0.02 0.98 -0.01 0.40 -0.37 0.00 0.00 177.43 178.41 3cx5 h ILE 58 N 0.01 1.27 0.00 2.57 2.04 -1.30 -2.96 117.51 119.13 3cx5 h ILE 58 Ca -0.00 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3cx5 h ILE 58 Cb 0.92 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3cx5 h ILE 58 CO 0.07 0.27 -0.04 0.11 0.00 0.00 0.00 178.15 178.55 3cx5 h LYS 59 N 0.03 0.00 -0.70 2.37 1.57 -0.60 -2.02 116.57 117.22 3cx5 h LYS 59 Ca 0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3cx5 h LYS 59 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3cx5 h LYS 59 CO 0.01 0.04 0.15 -0.22 -0.57 0.00 0.00 179.45 178.86 3cx5 h LYS 60 N 0.00 1.13 -6.58 3.15 1.63 -1.29 -3.47 116.57 111.14 3cx5 h LYS 60 Ca -0.00 -0.28 -0.52 0.00 -0.85 0.00 0.00 60.65 59.00 3cx5 h LYS 60 Cb 0.25 -0.14 -0.10 0.00 -0.60 0.00 0.00 32.23 31.63 3cx5 h LYS 60 CO 0.01 1.00 -0.87 -1.71 -3.45 0.00 0.00 179.45 174.43 3cx5 n ASN 61 N -4.23 -1.29 -4.69 4.20 4.05 -0.76 -4.91 115.26 107.63 3cx5 n ASN 61 Ca 0.05 -1.01 -0.42 0.00 0.45 0.00 0.00 54.58 53.65 3cx5 n ASN 61 Cb 0.27 -2.95 -0.03 0.00 1.23 0.00 0.00 39.78 38.30 3cx5 n ASN 61 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3cx5 s VAL 62 N -3.76 4.83 -0.66 3.44 1.01 -1.26 -4.73 120.40 119.28 3cx5 s VAL 62 Ca 0.24 1.91 -0.26 0.00 0.00 0.00 0.00 61.98 63.86 3cx5 s VAL 62 Cb -0.13 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.03 3cx5 s VAL 62 CO 0.90 0.04 1.16 -0.22 0.00 0.00 0.00 175.10 176.99 3cx5 s LEU 63 N 1.85 3.54 0.04 3.92 2.96 -1.26 -1.02 118.68 128.71 3cx5 s LEU 63 Ca 0.46 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 3cx5 s LEU 63 Cb -0.18 -2.76 -0.09 0.00 0.50 0.00 0.00 46.19 43.67 3cx5 s LEU 63 CO 0.18 -1.60 1.89 0.26 -1.32 0.00 0.00 176.35 175.76 3cx5 s TRP 64 N 5.03 1.58 0.31 5.38 0.52 -0.74 -4.89 118.94 126.12 3cx5 s TRP 64 Ca 0.35 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.24 3cx5 s TRP 64 Cb -0.10 -4.18 -0.04 0.00 -1.15 0.00 0.00 33.47 28.01 3cx5 s TRP 64 CO 0.18 -5.14 0.14 0.16 0.02 0.00 0.00 176.95 172.30 3cx5 s ASP 65 N 3.90 1.68 0.26 2.95 3.84 -1.26 -1.24 116.67 126.79 3cx5 s ASP 65 Ca 0.84 -1.52 -0.03 0.00 -0.00 0.00 0.00 52.55 51.84 3cx5 s ASP 65 Cb -0.42 0.32 0.40 0.00 -1.38 0.00 0.00 42.92 41.85 3cx5 s ASP 65 CO 0.39 -0.84 1.87 -0.33 -0.00 0.00 0.00 175.17 176.25 3cx5 h GLU 66 N 2.19 1.06 -0.10 2.11 3.07 -1.99 -2.49 114.58 118.43 3cx5 h GLU 66 Ca -0.35 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.35 3cx5 h GLU 66 Cb 1.25 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3cx5 h GLU 66 CO 0.55 0.70 -0.30 -0.91 -1.40 0.00 0.00 179.01 177.66 3cx5 h ASN 67 N 1.09 0.43 1.31 1.42 4.21 -1.97 -2.34 115.58 119.73 3cx5 h ASN 67 Ca 0.42 -0.60 -0.02 0.00 1.21 0.00 0.00 56.30 57.31 3cx5 h ASN 67 Cb 0.21 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.28 3cx5 h ASN 67 CO -0.19 0.96 -0.08 -0.55 -1.29 0.00 0.00 177.43 176.29 3cx5 h ASN 68 N -0.08 0.00 -0.18 5.81 -0.00 -1.93 -2.52 115.58 116.69 3cx5 h ASN 68 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.13 3cx5 h ASN 68 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.23 3cx5 h ASN 68 CO 0.06 0.08 -0.47 -0.03 -0.00 0.00 0.00 177.43 177.07 3cx5 h MET 69 N 0.00 0.74 -0.53 4.14 4.05 -1.45 -0.73 114.93 121.16 3cx5 h MET 69 Ca -0.00 -0.43 -0.06 0.00 -0.28 0.00 0.00 59.70 58.93 3cx5 h MET 69 Cb 0.75 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 3cx5 h MET 69 CO 0.01 1.05 0.08 1.03 0.23 0.00 0.00 176.91 179.31 3cx5 h SER 70 N 0.59 0.84 0.26 1.39 0.87 -1.07 -0.74 113.55 115.70 3cx5 h SER 70 Ca 0.03 -0.26 -0.15 0.00 -1.23 0.00 0.00 61.79 60.18 3cx5 h SER 70 Cb 1.03 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 3cx5 h SER 70 CO 0.10 0.89 -0.57 -0.08 -0.53 0.00 0.00 176.83 176.64 3cx5 h GLU 71 N 0.76 0.32 -0.00 2.24 4.81 -1.33 -2.81 114.58 118.57 3cx5 h GLU 71 Ca 0.16 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3cx5 h GLU 71 Cb 0.41 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 3cx5 h GLU 71 CO 0.01 0.80 -0.00 -0.92 -0.73 0.00 0.00 179.01 178.18 3cx5 h TYR 72 N 0.24 0.00 0.00 0.92 -0.00 -0.90 -3.08 116.97 114.15 3cx5 h TYR 72 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3cx5 h TYR 72 Cb 1.08 -0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.81 3cx5 h TYR 72 CO 0.03 0.37 0.00 -0.07 -0.00 0.00 0.00 178.16 178.49 3cx5 h LEU 73 N -0.37 0.00 -0.28 2.82 3.38 -1.15 -0.13 115.31 119.58 3cx5 h LEU 73 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3cx5 h LEU 73 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3cx5 h LEU 73 CO 0.00 0.00 -0.14 0.74 0.09 0.00 0.00 178.44 179.13 3cx5 h THR 74 N 0.00 1.30 -0.92 0.22 2.02 -1.40 -1.66 112.91 112.46 3cx5 h THR 74 Ca 0.00 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 3cx5 h THR 74 Cb 0.20 1.50 -0.19 0.00 -1.74 0.00 0.00 68.15 67.92 3cx5 h THR 74 CO 0.00 0.39 -0.40 0.21 0.37 0.00 0.00 175.52 176.10 3cx5 s ASN 75 N -6.29 -1.45 0.00 4.18 3.04 -0.91 -3.86 114.94 109.65 3cx5 s ASN 75 Ca -0.13 -0.48 0.00 0.00 0.04 0.00 0.00 52.86 52.29 3cx5 s ASN 75 Cb 0.08 1.86 0.00 0.00 -1.54 0.00 0.00 41.25 41.65 3cx5 s ASN 75 CO 0.79 -0.19 0.00 -2.65 -3.04 0.00 0.00 177.10 172.01 3cx5 n PRO 76 N 4.63 0.00 0.00 0.43 -0.02 -0.11 -2.49 135.00 137.44 3cx5 n PRO 76 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3cx5 n PRO 76 Cb 0.57 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.24 3cx5 n PRO 76 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3cx5 n LYS 78 N 0.16 0.00 -0.04 -0.52 4.81 -1.26 -0.87 118.16 120.44 3cx5 n LYS 78 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 3cx5 n LYS 78 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 3cx5 n LYS 78 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 3cx5 h TYR 79 N 0.00 0.09 -2.65 5.64 3.20 -1.81 -3.39 116.97 118.05 3cx5 h TYR 79 Ca 0.00 -0.05 -0.61 0.00 3.14 0.00 0.00 58.73 61.21 3cx5 h TYR 79 Cb 0.00 -0.01 -0.42 0.00 1.54 0.00 0.00 36.73 37.84 3cx5 h TYR 79 CO 0.00 0.85 -0.61 -0.89 -1.64 0.00 0.00 178.16 175.87 3cx5 n ILE 80 N -4.64 1.80 -1.71 1.81 5.41 -0.05 -5.09 119.36 116.89 3cx5 n ILE 80 Ca -0.10 -4.95 -0.43 0.00 1.00 0.00 0.00 62.75 58.27 3cx5 n ILE 80 Cb 0.43 -2.13 -0.03 0.00 -0.71 0.00 0.00 39.64 37.20 3cx5 n ILE 80 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3cx5 n PRO 81 N 1.49 2.68 0.00 0.38 -0.04 -1.26 -2.52 135.00 135.73 3cx5 n PRO 81 Ca 0.25 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.67 3cx5 n PRO 81 Cb 0.38 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 3cx5 n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cx5 n GLY 82 N 3.71 1.01 3.85 0.55 0.00 -1.26 -4.82 105.19 108.22 3cx5 n GLY 82 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3cx5 n GLY 82 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cx5 s THR 83 N -2.00 4.70 -0.05 2.61 -1.32 -1.05 -4.62 115.64 113.90 3cx5 s THR 83 Ca 0.00 0.95 0.28 0.00 -1.21 0.00 0.00 61.69 61.71 3cx5 s THR 83 Cb 0.00 -3.66 0.33 0.00 -1.51 0.00 0.00 72.50 67.66 3cx5 s THR 83 CO 0.00 -0.07 1.83 0.11 -2.21 0.00 0.00 174.62 174.27 3cx5 h LYS 84 N 2.58 0.00 -6.23 7.08 1.57 -1.98 -3.45 116.57 116.14 3cx5 h LYS 84 Ca -0.48 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.71 3cx5 h LYS 84 Cb 1.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 3cx5 h LYS 84 CO 0.66 0.06 1.24 -0.12 -0.57 0.00 0.00 179.45 180.72 3cx5 n MET 85 N -3.15 2.27 -3.47 3.15 1.56 -1.26 -4.94 117.12 111.27 3cx5 n MET 85 Ca 0.01 0.79 -0.43 0.00 -0.27 0.00 0.00 57.70 57.80 3cx5 n MET 85 Cb 0.41 -2.85 -0.05 0.00 2.15 0.00 0.00 33.22 32.88 3cx5 n MET 85 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3cx5 s ALA 86 N 5.21 3.84 0.05 -5.12 0.00 -1.26 -4.99 121.76 119.48 3cx5 s ALA 86 Ca 0.94 -3.17 0.05 0.00 0.00 0.00 0.00 51.96 49.78 3cx5 s ALA 86 Cb -0.57 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 3cx5 s ALA 86 CO 0.46 -2.17 -0.14 0.12 0.00 0.00 0.00 175.76 174.03 3cx5 s PHE 87 N 0.31 1.19 0.17 0.00 5.99 -1.26 -5.06 117.98 119.31 3cx5 s PHE 87 Ca 0.15 -0.38 0.11 0.00 0.00 0.00 0.00 56.93 56.82 3cx5 s PHE 87 Cb -0.16 -0.70 0.19 0.00 0.00 0.00 0.00 43.02 42.35 3cx5 s PHE 87 CO -0.06 0.03 1.50 0.78 -0.00 0.00 0.00 175.22 177.48 3cx5 h GLY 88 N 4.79 0.00 0.00 13.12 0.00 -1.95 -3.45 103.07 115.59 3cx5 h GLY 88 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3cx5 h GLY 88 CO 0.43 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.58 3cx5 n GLY 89 N 0.71 1.10 3.29 4.60 0.00 -1.26 -4.93 105.19 108.69 3cx5 n GLY 89 Ca -0.00 -1.49 -0.45 0.00 0.00 0.00 0.00 46.02 44.08 3cx5 n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cx5 s LEU 90 N -0.39 6.03 0.22 0.99 1.43 -0.62 -4.93 118.68 121.40 3cx5 s LEU 90 Ca 0.00 -1.80 0.01 0.00 -1.03 0.00 0.00 54.13 51.30 3cx5 s LEU 90 Cb 0.00 -2.15 0.21 0.00 0.03 0.00 0.00 46.19 44.27 3cx5 s LEU 90 CO 0.00 -0.81 1.55 0.11 0.23 0.00 0.00 176.35 177.44 3cx5 h LYS 91 N 8.76 0.41 -6.42 1.70 1.79 -1.88 -3.40 116.57 117.53 3cx5 h LYS 91 Ca -0.28 -0.25 -0.54 0.00 -2.18 0.00 0.00 60.65 57.40 3cx5 h LYS 91 Cb 1.09 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 3cx5 h LYS 91 CO 0.98 0.85 0.42 0.15 -1.08 0.00 0.00 179.45 180.77 3cx5 s LYS 92 N -3.95 4.53 0.43 3.15 1.02 -1.26 -4.94 119.74 118.71 3cx5 s LYS 92 Ca -0.06 1.50 0.16 0.00 0.02 0.00 0.00 55.97 57.59 3cx5 s LYS 92 Cb 0.12 -3.44 0.96 0.00 -0.52 0.00 0.00 37.83 34.95 3cx5 s LYS 92 CO 0.82 -0.10 1.93 1.49 -0.92 0.00 0.00 175.35 178.56 3cx5 h GLU 93 N 6.81 0.00 -0.71 1.68 4.81 -2.00 -2.70 114.58 122.47 3cx5 h GLU 93 Ca -0.41 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.75 3cx5 h GLU 93 Cb 1.22 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 3cx5 h GLU 93 CO 0.77 0.25 0.16 1.57 -0.73 0.00 0.00 179.01 181.03 3cx5 h LYS 94 N 0.00 1.14 -0.12 1.92 2.10 -1.97 -0.22 116.57 119.42 3cx5 h LYS 94 Ca -0.00 -0.28 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 3cx5 h LYS 94 Cb 0.48 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 3cx5 h LYS 94 CO 0.03 1.01 0.05 -0.44 -2.00 0.00 0.00 179.45 178.10 3cx5 h ASP 95 N 1.07 0.17 0.02 7.07 3.45 -1.88 -1.19 116.42 125.14 3cx5 h ASP 95 Ca 0.22 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3cx5 h ASP 95 Cb 0.39 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3cx5 h ASP 95 CO 0.00 0.29 -0.03 0.03 -1.57 0.00 0.00 179.24 177.96 3cx5 h ARG 96 N 0.04 -0.06 -0.99 3.56 3.08 -1.36 0.95 114.38 119.60 3cx5 h ARG 96 Ca 0.04 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.19 3cx5 h ARG 96 Cb 0.17 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 3cx5 h ARG 96 CO -0.00 -0.04 0.63 -0.91 -1.07 0.00 0.00 179.97 178.58 3cx5 h ASN 97 N -0.06 0.97 -0.10 7.04 2.35 -0.94 0.79 115.58 125.64 3cx5 h ASN 97 Ca 0.00 0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.62 3cx5 h ASN 97 Cb 0.06 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.27 3cx5 h ASN 97 CO -0.01 0.57 -0.55 0.44 -1.65 0.00 0.00 177.43 176.23 3cx5 h ASP 98 N 1.08 0.66 -0.18 5.81 3.32 -0.90 -2.30 116.42 123.91 3cx5 h ASP 98 Ca 0.46 -0.65 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3cx5 h ASP 98 Cb 0.32 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3cx5 h ASP 98 CO -0.22 1.20 0.10 0.25 -1.72 0.00 0.00 179.24 178.85 3cx5 h LEU 99 N 0.15 0.23 -1.08 1.55 7.12 -0.32 -2.11 115.31 120.85 3cx5 h LEU 99 Ca -0.04 -0.09 -0.05 0.00 0.13 0.00 0.00 57.88 57.83 3cx5 h LEU 99 Cb 1.20 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.25 3cx5 h LEU 99 CO 0.11 0.25 0.11 0.40 -0.13 0.00 0.00 178.44 179.18 3cx5 h ILE 100 N 0.18 1.22 -0.87 4.05 2.04 -0.93 -0.92 117.51 122.27 3cx5 h ILE 100 Ca 0.06 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3cx5 h ILE 100 Cb 0.08 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3cx5 h ILE 100 CO -0.01 0.29 0.51 0.74 0.00 0.00 0.00 178.15 179.68 3cx5 h THR 101 N 0.73 1.25 -0.37 -0.27 2.02 -1.10 0.93 112.91 116.10 3cx5 h THR 101 Ca 0.16 -0.57 -0.16 0.00 0.77 0.00 0.00 66.41 66.61 3cx5 h THR 101 Cb 0.29 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3cx5 h THR 101 CO 0.00 0.27 -0.40 0.22 0.37 0.00 0.00 175.52 175.98 3cx5 h TYR 102 N 1.21 1.10 -0.70 3.16 3.20 -0.82 -2.81 116.97 121.32 3cx5 h TYR 102 Ca 0.31 -0.33 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 3cx5 h TYR 102 Cb -0.01 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 3cx5 h TYR 102 CO 0.00 1.16 0.25 -0.07 -1.64 0.00 0.00 178.16 177.86 3cx5 h LEU 103 N 0.74 0.98 -0.41 2.82 4.07 -0.55 0.23 115.31 123.19 3cx5 h LEU 103 Ca 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 3cx5 h LEU 103 Cb 0.99 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 3cx5 h LEU 103 CO 0.10 0.89 0.21 0.11 -1.08 0.00 0.00 178.44 178.67 3cx5 h LYS 104 N 1.02 0.58 -0.23 1.13 1.79 -0.77 -2.93 116.57 117.16 3cx5 h LYS 104 Ca 0.23 -0.08 -0.14 0.00 -2.18 0.00 0.00 60.65 58.49 3cx5 h LYS 104 Cb 0.24 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3cx5 h LYS 104 CO -0.01 0.49 -0.44 -0.22 -1.08 0.00 0.00 179.45 178.18 3cx5 h LYS 105 N 0.53 0.56 0.00 3.15 3.64 -1.24 -3.18 116.57 120.03 3cx5 h LYS 105 Ca 0.14 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3cx5 h LYS 105 Cb 0.09 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3cx5 h LYS 105 CO -0.02 0.89 -0.05 0.00 -2.27 0.00 0.00 179.45 178.00 3cx5 h ALA 106 N 1.07 1.46 -0.57 5.00 0.00 -0.77 -3.04 119.26 122.41 3cx5 h ALA 106 Ca 0.03 -0.05 -0.41 0.00 0.00 0.00 0.00 54.91 54.48 3cx5 h ALA 106 Cb 0.95 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.40 3cx5 h ALA 106 CO 0.08 0.07 -0.76 0.00 0.00 0.00 0.00 179.25 178.64