#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s GLN 3 N 0.00 4.32 0.65 -0.52 0.74 -1.26 -4.98 119.66 118.62 3cx5 s GLN 3 Ca 0.00 2.04 -0.15 0.00 0.05 0.00 0.00 55.36 57.30 3cx5 s GLN 3 Cb 0.00 -3.31 -0.00 0.00 1.10 0.00 0.00 33.01 30.79 3cx5 s GLN 3 CO 0.00 -0.45 1.11 -1.54 -0.55 0.00 0.00 175.29 173.86 3cx5 s SER 4 N 1.25 5.16 0.44 6.67 1.04 -1.26 -4.92 113.70 122.08 3cx5 s SER 4 Ca 0.64 2.01 0.24 0.00 0.48 0.00 0.00 55.95 59.32 3cx5 s SER 4 Cb -0.36 -2.55 0.87 0.00 0.10 0.00 0.00 66.02 64.08 3cx5 s SER 4 CO 0.30 -1.60 1.80 -0.26 0.98 0.00 0.00 173.24 174.46 3cx5 h PHE 5 N 0.11 0.00 -0.41 5.02 -1.00 -1.96 -2.04 116.94 116.67 3cx5 h PHE 5 Ca -0.47 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.22 3cx5 h PHE 5 Cb 1.25 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.79 3cx5 h PHE 5 CO 0.54 0.21 -0.12 1.15 -1.61 0.00 0.00 178.31 178.49 3cx5 h THR 6 N 0.00 1.25 -0.10 -1.55 2.02 -1.95 -0.62 112.91 111.97 3cx5 h THR 6 Ca -0.00 -1.15 -0.24 0.00 0.77 0.00 0.00 66.41 65.79 3cx5 h THR 6 Cb 0.79 1.07 0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3cx5 h THR 6 CO 0.03 0.39 -0.88 -1.28 0.37 0.00 0.00 175.52 174.15 3cx5 h SER 7 N 0.66 0.94 -0.51 4.18 0.87 -1.85 -1.74 113.55 116.10 3cx5 h SER 7 Ca 0.11 -0.66 -0.04 0.00 -1.23 0.00 0.00 61.79 59.97 3cx5 h SER 7 Cb 0.58 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 3cx5 h SER 7 CO 0.04 1.47 0.18 0.40 -0.53 0.00 0.00 176.83 178.38 3cx5 h ILE 8 N 0.49 1.22 -0.56 2.23 2.04 -1.21 -2.01 117.51 119.72 3cx5 h ILE 8 Ca -0.08 -0.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.96 3cx5 h ILE 8 Cb 1.51 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3cx5 h ILE 8 CO 0.18 0.27 0.01 0.00 0.00 0.00 0.00 178.15 178.61 3cx5 h ALA 9 N 1.03 0.75 0.02 1.87 0.00 -1.13 0.19 119.26 121.99 3cx5 h ALA 9 Ca 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3cx5 h ALA 9 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3cx5 h ALA 9 CO -0.01 0.57 -0.06 -0.09 0.00 0.00 0.00 179.25 179.66 3cx5 h ARG 10 N 0.86 -0.11 -0.25 0.00 2.43 -1.11 0.48 114.38 116.69 3cx5 h ARG 10 Ca 0.16 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3cx5 h ARG 10 Cb 0.52 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3cx5 h ARG 10 CO 0.03 -0.07 0.02 0.82 -1.51 0.00 0.00 179.97 179.25 3cx5 h ILE 11 N -0.11 1.25 -0.44 1.20 2.04 -1.27 -2.73 117.51 117.45 3cx5 h ILE 11 Ca 0.02 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3cx5 h ILE 11 Cb 0.13 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3cx5 h ILE 11 CO -0.05 0.27 0.21 1.23 0.00 0.00 0.00 178.15 179.81 3cx5 h GLY 12 N 0.22 0.68 1.34 5.37 0.00 -0.37 -2.47 103.07 107.84 3cx5 h GLY 12 Ca 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3cx5 h GLY 12 CO 0.01 0.32 0.26 -0.55 0.00 0.00 0.00 176.54 176.58 3cx5 h ASP 13 N 0.57 0.78 -0.76 0.19 3.32 -0.06 -0.85 116.42 119.61 3cx5 h ASP 13 Ca 0.15 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3cx5 h ASP 13 Cb 0.12 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 3cx5 h ASP 13 CO -0.02 0.68 0.42 0.22 -1.72 0.00 0.00 179.24 178.82 3cx5 h TYR 14 N 0.85 1.05 -0.27 4.55 3.20 -1.17 0.90 116.97 126.08 3cx5 h TYR 14 Ca 0.21 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 3cx5 h TYR 14 Cb 0.13 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 3cx5 h TYR 14 CO 0.01 0.73 -0.10 0.82 -1.64 0.00 0.00 178.16 177.98 3cx5 h ILE 15 N 1.06 1.29 -0.60 1.81 2.04 -0.99 -3.00 117.51 119.12 3cx5 h ILE 15 Ca 0.27 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 3cx5 h ILE 15 Cb 0.03 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3cx5 h ILE 15 CO -0.04 0.37 0.16 -0.07 0.00 0.00 0.00 178.15 178.56 3cx5 h LEU 16 N 0.30 0.87 -0.07 1.44 4.07 -0.77 -2.66 115.31 118.49 3cx5 h LEU 16 Ca 0.06 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3cx5 h LEU 16 Cb 0.60 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3cx5 h LEU 16 CO 0.03 0.83 -0.04 0.29 -1.08 0.00 0.00 178.44 178.48 3cx5 n LYS 17 N -4.27 0.54 -3.55 1.13 5.02 0.28 -4.67 118.16 112.64 3cx5 n LYS 17 Ca 0.05 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.85 3cx5 n LYS 17 Cb 0.23 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 3cx5 n LYS 17 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3cx5 s SER 18 N -2.50 5.85 0.37 4.39 0.15 -1.03 -4.97 113.70 115.95 3cx5 s SER 18 Ca 0.30 -1.06 0.14 0.00 0.70 0.00 0.00 55.95 56.03 3cx5 s SER 18 Cb 0.20 -2.06 0.98 0.00 -1.71 0.00 0.00 66.02 63.43 3cx5 s SER 18 CO 0.46 -0.44 1.79 -0.65 1.20 0.00 0.00 173.24 175.60 3cx5 h PRO 19 N 8.50 0.50 0.51 5.44 0.11 -1.83 0.26 132.00 145.49 3cx5 h PRO 19 Ca -0.26 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3cx5 h PRO 19 Cb 1.10 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.11 3cx5 h PRO 19 CO 0.71 0.33 -0.25 0.28 -0.21 0.00 0.00 178.00 178.86 3cx5 h VAL 20 N 0.51 0.00 -0.67 3.15 2.07 -1.93 -2.96 116.25 116.43 3cx5 h VAL 20 Ca 0.56 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.71 3cx5 h VAL 20 Cb 1.23 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3cx5 h VAL 20 CO -0.30 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.52 3cx5 h LEU 21 N -1.03 0.87 -0.75 2.57 -0.00 -1.74 -2.70 115.31 112.53 3cx5 h LEU 21 Ca -0.07 -0.10 0.04 0.00 -0.00 0.00 0.00 57.88 57.75 3cx5 h LEU 21 Cb 0.53 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.91 3cx5 h LEU 21 CO 0.12 0.75 0.46 -1.28 -0.00 0.00 0.00 178.44 178.49 3cx5 h SER 22 N 0.95 0.74 0.77 -0.43 0.87 -0.20 0.52 113.55 116.77 3cx5 h SER 22 Ca 0.23 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.70 3cx5 h SER 22 Cb 0.13 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3cx5 h SER 22 CO -0.03 0.50 -0.47 0.11 -0.53 0.00 0.00 176.83 176.41 3cx5 h LYS 23 N 0.88 0.00 0.09 2.24 1.57 -1.33 -2.66 116.57 117.35 3cx5 h LYS 23 Ca 0.31 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.78 3cx5 h LYS 23 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3cx5 h LYS 23 CO -0.14 0.47 -1.70 1.25 -0.57 0.00 0.00 179.45 178.77 3cx5 h LEU 24 N 0.00 0.28 0.03 2.94 5.85 -1.02 -3.42 115.31 119.97 3cx5 h LEU 24 Ca -0.00 -0.50 -0.37 0.00 0.84 0.00 0.00 57.88 57.85 3cx5 h LEU 24 Cb 0.98 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 3cx5 h LEU 24 CO 0.06 1.43 -2.09 0.00 -0.34 0.00 0.00 178.44 177.50 3cx5 h VAL 26 N -0.54 0.55 -0.77 0.00 2.07 -1.65 -0.65 116.25 115.26 3cx5 h VAL 26 Ca -0.53 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3cx5 h VAL 26 Cb 1.69 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3cx5 h VAL 26 CO -0.19 0.06 0.39 -0.65 0.02 0.00 0.00 177.57 177.20 3cx5 h PRO 27 N 0.30 1.09 -0.51 1.57 0.11 -1.80 0.31 132.00 133.07 3cx5 h PRO 27 Ca 0.41 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 3cx5 h PRO 27 Cb 0.69 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 3cx5 h PRO 27 CO -0.48 0.82 0.14 0.28 -0.21 0.00 0.00 178.00 178.55 3cx5 h VAL 28 N 1.09 1.24 -0.78 3.15 2.07 -1.50 -2.40 116.25 119.11 3cx5 h VAL 28 Ca 0.27 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3cx5 h VAL 28 Cb 0.07 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3cx5 h VAL 28 CO -0.04 0.30 0.33 0.00 0.02 0.00 0.00 177.57 178.18 3cx5 h ALA 29 N 1.01 1.10 -0.82 1.67 0.00 -0.53 -0.51 119.26 121.18 3cx5 h ALA 29 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3cx5 h ALA 29 Cb 0.31 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3cx5 h ALA 29 CO -0.00 0.65 0.36 -0.91 0.00 0.00 0.00 179.25 179.35 3cx5 h ASN 30 N 1.13 1.10 0.23 0.00 -0.26 -0.74 -0.42 115.58 116.62 3cx5 h ASN 30 Ca 0.26 -0.15 -0.17 0.00 -0.56 0.00 0.00 56.30 55.68 3cx5 h ASN 30 Cb 0.19 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 3cx5 h ASN 30 CO -0.02 0.95 -0.66 -0.61 -1.06 0.00 0.00 177.43 176.02 3cx5 h GLN 31 N 1.18 0.41 -0.57 0.81 5.75 -1.08 -2.14 115.11 119.47 3cx5 h GLN 31 Ca 0.28 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 3cx5 h GLN 31 Cb 0.16 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 3cx5 h GLN 31 CO -0.03 0.93 0.29 0.35 -2.65 0.00 0.00 178.83 177.71 3cx5 h PHE 32 N 0.29 0.81 -0.49 3.99 3.04 -0.59 -0.89 116.94 123.10 3cx5 h PHE 32 Ca -0.02 -0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.78 3cx5 h PHE 32 Cb 1.22 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 3cx5 h PHE 32 CO 0.04 0.61 -0.15 0.82 -2.02 0.00 0.00 178.31 177.61 3cx5 h ILE 33 N 0.77 1.27 -0.20 1.41 2.04 -1.02 -0.90 117.51 120.89 3cx5 h ILE 33 Ca 0.20 -1.30 -0.13 0.00 1.00 0.00 0.00 64.86 64.64 3cx5 h ILE 33 Cb 0.09 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3cx5 h ILE 33 CO -0.03 0.45 -0.41 0.78 0.00 0.00 0.00 178.15 178.94 3cx5 h ASN 34 N 0.82 0.48 0.81 1.72 2.35 -1.21 -2.59 115.58 117.97 3cx5 h ASN 34 Ca 0.12 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 3cx5 h ASN 34 Cb 0.71 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3cx5 h ASN 34 CO 0.05 0.84 -0.59 -0.07 -1.65 0.00 0.00 177.43 176.01 3cx5 h LEU 35 N 0.38 0.00 -0.60 1.61 3.38 -1.07 -3.10 115.31 115.91 3cx5 h LEU 35 Ca 0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3cx5 h LEU 35 Cb 0.89 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 3cx5 h LEU 35 CO 0.07 0.59 0.26 0.00 0.09 0.00 0.00 178.44 179.46 3cx5 h ALA 36 N 1.41 0.78 0.00 1.53 0.00 -0.75 -3.46 119.26 118.77 3cx5 h ALA 36 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3cx5 h ALA 36 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3cx5 h ALA 36 CO 0.08 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3cx5 n GLY 37 N -1.28 0.83 0.31 0.00 0.00 -1.17 -4.93 105.19 98.94 3cx5 n GLY 37 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 3cx5 n GLY 37 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3cx5 h TYR 38 N 0.00 0.55 0.00 1.61 -0.00 -1.90 -1.31 116.97 115.93 3cx5 h TYR 38 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.72 3cx5 h TYR 38 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 36.54 3cx5 h TYR 38 CO 0.00 0.36 -0.11 0.87 -0.00 0.00 0.00 178.16 179.27 3cx5 h LYS 39 N 0.59 0.00 0.00 0.10 1.57 -1.89 -0.81 116.57 116.13 3cx5 h LYS 39 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3cx5 h LYS 39 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3cx5 h LYS 39 CO -0.03 0.11 0.00 1.63 -0.57 0.00 0.00 179.45 180.59 3cx5 n LYS 40 N -3.64 0.16 -0.21 3.15 5.02 -0.50 -1.77 118.16 120.36 3cx5 n LYS 40 Ca -0.02 0.30 0.10 0.00 -2.02 0.00 0.00 58.31 56.67 3cx5 n LYS 40 Cb 0.23 -1.76 0.21 0.00 -0.02 0.00 0.00 35.03 33.70 3cx5 n LYS 40 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cx5 n LEU 41 N -2.05 3.34 0.00 -0.35 4.32 -0.35 -1.72 117.00 120.19 3cx5 n LEU 41 Ca 0.04 -1.67 0.00 0.00 -0.02 0.00 0.00 56.01 54.36 3cx5 n LEU 41 Cb 0.28 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3cx5 n LEU 41 CO 0.22 0.77 0.00 0.61 -1.22 0.00 0.00 177.39 177.77 3cx5 n GLY 42 N 1.26 0.42 3.85 -0.72 0.00 -0.73 -4.14 105.19 105.14 3cx5 n GLY 42 Ca 0.18 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 3cx5 n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cx5 s LEU 43 N 0.00 4.03 0.14 0.99 1.43 -0.94 -4.81 118.68 119.52 3cx5 s LEU 43 Ca 0.00 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3cx5 s LEU 43 Cb 0.00 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 3cx5 s LEU 43 CO 0.00 0.11 0.17 -0.54 0.23 0.00 0.00 176.35 176.32 3cx5 s LYS 44 N -2.84 3.06 0.23 1.70 1.02 -1.26 -3.61 119.74 118.04 3cx5 s LYS 44 Ca 0.32 -0.75 -0.06 0.00 0.02 0.00 0.00 55.97 55.50 3cx5 s LYS 44 Cb -0.11 -2.76 0.38 0.00 -0.52 0.00 0.00 37.83 34.82 3cx5 s LYS 44 CO 0.25 0.51 1.77 0.35 -0.92 0.00 0.00 175.35 177.31 3cx5 h PHE 45 N 2.53 0.63 -0.01 3.18 3.57 -1.88 -1.07 116.94 123.88 3cx5 h PHE 45 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3cx5 h PHE 45 Cb 1.19 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 3cx5 h PHE 45 CO 0.58 0.19 0.08 -0.44 -2.23 0.00 0.00 178.31 176.49 3cx5 h ASP 46 N 0.58 0.00 1.19 0.41 3.45 -1.96 0.84 116.42 120.93 3cx5 h ASP 46 Ca 0.38 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.84 3cx5 h ASP 46 Cb 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3cx5 h ASP 46 CO -0.31 0.00 0.00 0.44 -1.57 0.00 0.00 179.24 177.80 3cx5 h ASP 47 N 0.00 0.00 1.51 6.45 3.32 -1.59 -3.15 116.42 122.96 3cx5 h ASP 47 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3cx5 h ASP 47 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3cx5 h ASP 47 CO -0.00 0.00 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.16 3cx5 h LEU 48 N 0.00 0.00 -9.52 1.55 4.07 -0.91 -3.47 115.31 107.03 3cx5 h LEU 48 Ca 0.00 -0.03 -0.53 0.00 0.08 0.00 0.00 57.88 57.40 3cx5 h LEU 48 Cb 0.60 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.37 3cx5 h LEU 48 CO 0.00 0.02 1.04 -0.63 -1.08 0.00 0.00 178.44 177.79 3cx5 s ILE 49 N -3.21 2.64 0.07 1.22 1.01 -1.19 -4.91 121.20 116.83 3cx5 s ILE 49 Ca 0.06 0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.62 3cx5 s ILE 49 Cb 0.09 -3.14 -0.10 0.00 0.01 0.00 0.00 42.46 39.31 3cx5 s ILE 49 CO 0.68 0.00 1.88 0.00 0.00 0.00 0.00 174.94 177.51 3cx5 n ALA 50 N 5.27 1.79 1.06 9.38 0.00 -1.26 -4.89 120.51 131.86 3cx5 n ALA 50 Ca 0.16 0.28 0.12 0.00 0.00 0.00 0.00 53.44 54.00 3cx5 n ALA 50 Cb 0.39 -2.60 0.10 0.00 0.00 0.00 0.00 19.45 17.33 3cx5 n ALA 50 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3cx5 n GLU 51 N 6.30 1.50 -1.32 0.00 0.28 -1.26 -4.74 120.64 121.41 3cx5 n GLU 51 Ca 0.19 -1.20 -0.38 0.00 -0.16 0.00 0.00 57.16 55.62 3cx5 n GLU 51 Cb 0.37 -1.48 -0.04 0.00 1.43 0.00 0.00 31.44 31.73 3cx5 n GLU 51 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3cx5 n GLU 52 N 0.29 3.66 -3.57 3.44 4.71 -1.26 -4.14 120.64 123.77 3cx5 n GLU 52 Ca 0.11 -2.18 -0.14 0.00 -0.01 0.00 0.00 57.16 54.94 3cx5 n GLU 52 Cb 0.48 -2.76 -0.05 0.00 -1.01 0.00 0.00 31.44 28.11 3cx5 n GLU 52 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3cx5 s ASN 53 N 2.10 -0.44 0.26 1.62 4.22 -1.26 -5.08 114.94 116.36 3cx5 s ASN 53 Ca 0.69 0.17 -0.02 0.00 -2.14 0.00 0.00 52.86 51.56 3cx5 s ASN 53 Cb 0.19 0.50 0.48 0.00 1.28 0.00 0.00 41.25 43.69 3cx5 s ASN 53 CO -0.06 -0.73 1.82 1.55 -2.04 0.00 0.00 177.10 177.64 3cx5 h PRO 54 N 2.74 0.84 0.12 3.55 0.13 -1.99 -1.95 132.00 135.43 3cx5 h PRO 54 Ca -0.31 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3cx5 h PRO 54 Cb 1.22 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3cx5 h PRO 54 CO 0.41 0.55 -0.08 0.82 -0.23 0.00 0.00 178.00 179.47 3cx5 h ILE 55 N 0.86 0.83 -0.32 -3.56 1.08 -1.96 -0.80 117.51 113.64 3cx5 h ILE 55 Ca 0.45 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.85 3cx5 h ILE 55 Cb 0.44 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 3cx5 h ILE 55 CO -0.27 0.00 -0.09 0.24 -0.69 0.00 0.00 178.15 177.34 3cx5 h MET 56 N -0.20 0.52 -0.27 2.37 2.86 -1.79 -0.76 114.93 117.67 3cx5 h MET 56 Ca -0.01 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 3cx5 h MET 56 Cb 0.17 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3cx5 h MET 56 CO 0.01 0.62 -0.35 1.96 1.06 0.00 0.00 176.91 180.21 3cx5 h GLN 57 N 0.49 0.60 -0.29 1.72 1.08 -1.10 0.84 115.11 118.44 3cx5 h GLN 57 Ca 0.09 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 56.97 3cx5 h GLN 57 Cb 0.46 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3cx5 h GLN 57 CO 0.03 0.87 0.02 1.15 -0.95 0.00 0.00 178.83 179.94 3cx5 h THR 58 N 0.51 1.25 -0.17 -0.54 2.02 -0.74 -1.76 112.91 113.48 3cx5 h THR 58 Ca 0.05 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 3cx5 h THR 58 Cb 0.84 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3cx5 h THR 58 CO 0.07 0.29 0.10 0.00 0.37 0.00 0.00 175.52 176.35 3cx5 h ALA 59 N 0.85 0.22 -0.18 6.16 0.00 -0.88 -2.41 119.26 123.01 3cx5 h ALA 59 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3cx5 h ALA 59 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3cx5 h ALA 59 CO 0.01 -0.26 -0.12 -0.07 0.00 0.00 0.00 179.25 178.81 3cx5 h LEU 60 N 0.19 0.27 -0.70 0.00 3.38 -0.80 -2.08 115.31 115.57 3cx5 h LEU 60 Ca 0.06 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3cx5 h LEU 60 Cb 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3cx5 h LEU 60 CO -0.01 0.42 -0.46 -0.09 0.09 0.00 0.00 178.44 178.38 3cx5 h ARG 61 N 0.27 0.44 0.00 1.13 2.43 -1.08 -3.07 114.38 114.50 3cx5 h ARG 61 Ca 0.06 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3cx5 h ARG 61 Cb 0.38 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3cx5 h ARG 61 CO 0.02 0.82 -0.14 0.54 -1.51 0.00 0.00 179.97 179.70 3cx5 n ARG 62 N -3.99 0.11 -1.85 0.20 3.00 -0.93 -4.86 116.66 108.33 3cx5 n ARG 62 Ca -0.02 0.07 -0.42 0.00 -0.01 0.00 0.00 57.85 57.47 3cx5 n ARG 62 Cb 0.54 -1.61 -0.03 0.00 0.00 0.00 0.00 32.46 31.37 3cx5 n ARG 62 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3cx5 s LEU 63 N -3.57 4.37 0.45 0.55 2.96 -0.82 -4.93 118.68 117.71 3cx5 s LEU 63 Ca 0.12 2.64 -0.25 0.00 -0.22 0.00 0.00 54.13 56.42 3cx5 s LEU 63 Cb 0.16 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.19 3cx5 s LEU 63 CO 0.59 -0.91 1.32 -0.81 -1.32 0.00 0.00 176.35 175.23 3cx5 n PRO 64 N 4.88 1.96 -0.32 0.98 -0.04 -1.26 -4.69 135.00 136.50 3cx5 n PRO 64 Ca 0.16 0.70 0.01 0.00 -0.04 0.00 0.00 63.50 64.33 3cx5 n PRO 64 Cb 0.39 -2.48 0.08 0.00 -0.04 0.00 0.00 33.50 31.45 3cx5 n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3cx5 h GLU 65 N 2.00 -0.02 -0.54 0.54 5.08 -1.95 -0.84 114.58 118.84 3cx5 h GLU 65 Ca -0.49 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 3cx5 h GLU 65 Cb 1.29 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 3cx5 h GLU 65 CO 0.59 -0.02 0.25 0.38 -1.00 0.00 0.00 179.01 179.22 3cx5 h ASP 66 N -0.02 0.33 0.42 1.42 3.04 -2.00 -0.24 116.42 119.36 3cx5 h ASP 66 Ca 0.38 0.04 -0.13 0.00 -3.24 0.00 0.00 57.03 54.08 3cx5 h ASP 66 Cb 0.62 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 38.89 3cx5 h ASP 66 CO -0.90 0.22 -0.57 -0.33 -2.04 0.00 0.00 179.24 175.62 3cx5 h GLU 67 N 0.47 0.16 -0.44 4.15 5.08 -1.70 -2.44 114.58 119.86 3cx5 h GLU 67 Ca 0.25 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3cx5 h GLU 67 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3cx5 h GLU 67 CO -0.20 0.68 0.05 1.03 -1.00 0.00 0.00 179.01 179.57 3cx5 h SER 68 N 0.12 0.72 -0.27 1.42 0.87 -0.42 0.46 113.55 116.45 3cx5 h SER 68 Ca -0.00 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 3cx5 h SER 68 Cb 1.03 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 3cx5 h SER 68 CO 0.08 0.82 -0.06 1.88 -0.53 0.00 0.00 176.83 179.02 3cx5 h TYR 69 N 0.60 0.68 -0.42 2.24 0.99 -0.96 -1.45 116.97 118.66 3cx5 h TYR 69 Ca 0.13 -0.10 -0.14 0.00 2.00 0.00 0.00 58.73 60.63 3cx5 h TYR 69 Cb 0.42 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 37.95 3cx5 h TYR 69 CO 0.03 0.69 -0.26 0.00 -0.00 0.00 0.00 178.16 178.61 3cx5 h ALA 70 N 1.34 0.60 -0.60 3.88 0.00 -1.03 -2.39 119.26 121.07 3cx5 h ALA 70 Ca 0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3cx5 h ALA 70 Cb 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3cx5 h ALA 70 CO 0.02 0.62 0.16 -0.09 0.00 0.00 0.00 179.25 179.97 3cx5 h ARG 71 N 0.76 0.94 -0.51 0.00 2.43 -0.61 -2.26 114.38 115.13 3cx5 h ARG 71 Ca 0.09 -0.22 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3cx5 h ARG 71 Cb 0.85 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 3cx5 h ARG 71 CO 0.07 0.85 0.25 0.00 -1.51 0.00 0.00 179.97 179.64 3cx5 h ALA 72 N 1.05 0.64 -0.46 2.80 0.00 -1.15 -1.39 119.26 120.75 3cx5 h ALA 72 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3cx5 h ALA 72 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3cx5 h ALA 72 CO -0.00 -0.10 0.24 -0.92 0.00 0.00 0.00 179.25 178.47 3cx5 h TYR 73 N 0.48 0.64 -0.81 0.00 3.20 -1.20 -1.37 116.97 117.92 3cx5 h TYR 73 Ca 0.23 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3cx5 h TYR 73 Cb 0.15 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 3cx5 h TYR 73 CO -0.11 0.50 0.42 0.00 -1.64 0.00 0.00 178.16 177.33 3cx5 h ARG 74 N 0.60 1.14 -0.24 1.82 3.08 -0.96 0.44 114.38 120.27 3cx5 h ARG 74 Ca 0.16 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3cx5 h ARG 74 Cb 0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3cx5 h ARG 74 CO -0.02 0.85 0.02 0.82 -1.07 0.00 0.00 179.97 180.57 3cx5 h ILE 75 N 1.13 1.24 -0.18 2.04 2.04 -1.06 -0.59 117.51 122.12 3cx5 h ILE 75 Ca 0.28 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3cx5 h ILE 75 Cb 0.06 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3cx5 h ILE 75 CO -0.04 0.26 0.06 0.40 0.00 0.00 0.00 178.15 178.83 3cx5 h ILE 76 N 0.20 1.17 -0.79 -0.67 2.04 -1.04 -1.26 117.51 117.16 3cx5 h ILE 76 Ca 0.07 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3cx5 h ILE 76 Cb 0.36 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3cx5 h ILE 76 CO 0.01 0.17 0.47 -0.09 0.00 0.00 0.00 178.15 178.71 3cx5 h ARG 77 N 0.13 1.07 -0.70 2.37 2.43 -0.89 -1.61 114.38 117.19 3cx5 h ARG 77 Ca 0.06 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3cx5 h ARG 77 Cb 0.20 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3cx5 h ARG 77 CO -0.00 0.76 0.18 0.00 -1.51 0.00 0.00 179.97 179.39 3cx5 h ALA 78 N 1.43 0.99 -0.54 2.80 0.00 -0.69 -0.86 119.26 122.39 3cx5 h ALA 78 Ca 0.28 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3cx5 h ALA 78 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3cx5 h ALA 78 CO -0.05 0.66 0.01 0.45 0.00 0.00 0.00 179.25 180.31 3cx5 h HIS 79 N 1.05 1.02 -0.50 0.00 3.86 -0.70 -0.76 115.15 119.12 3cx5 h HIS 79 Ca 0.22 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 3cx5 h HIS 79 Cb 0.35 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3cx5 h HIS 79 CO 0.03 0.93 0.08 0.37 0.86 0.00 0.00 177.93 180.20 3cx5 h GLN 80 N 0.82 0.83 -0.53 2.45 5.75 -1.05 -1.34 115.11 122.03 3cx5 h GLN 80 Ca 0.15 -0.22 -0.08 0.00 -0.15 0.00 0.00 58.65 58.35 3cx5 h GLN 80 Cb 0.52 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 3cx5 h GLN 80 CO 0.03 0.82 0.03 1.15 -2.65 0.00 0.00 178.83 178.20 3cx5 h THR 81 N 0.70 1.26 -0.31 2.39 2.02 -1.07 -2.84 112.91 115.06 3cx5 h THR 81 Ca 0.15 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3cx5 h THR 81 Cb 0.39 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3cx5 h THR 81 CO 0.01 0.38 0.15 -0.08 0.37 0.00 0.00 175.52 176.35 3cx5 h GLU 82 N 0.80 0.44 0.00 6.66 4.57 -0.98 -2.66 114.58 123.42 3cx5 h GLU 82 Ca 0.15 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3cx5 h GLU 82 Cb 0.50 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3cx5 h GLU 82 CO 0.02 0.41 -0.04 1.37 -1.18 0.00 0.00 179.01 179.59 3cx5 h LEU 83 N 0.36 0.00 -0.50 1.64 8.10 -1.15 -0.39 115.31 123.38 3cx5 h LEU 83 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.10 3cx5 h LEU 83 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.33 3cx5 h LEU 83 CO -0.01 0.04 -0.24 0.35 -4.11 0.00 0.00 178.44 174.47 3cx5 n THR 84 N -3.24 0.00 -3.42 0.15 -2.24 -1.03 -4.95 114.28 99.56 3cx5 n THR 84 Ca -0.01 -0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 3cx5 n THR 84 Cb 0.23 0.37 0.07 0.00 -2.10 0.00 0.00 70.33 68.90 3cx5 n THR 84 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3cx5 n HIS 85 N -0.63 -2.54 -4.47 4.78 8.25 -0.15 -5.01 115.22 115.45 3cx5 n HIS 85 Ca 0.13 0.86 -0.23 0.00 -0.26 0.00 0.00 57.72 58.22 3cx5 n HIS 85 Cb 0.34 -4.70 -0.10 0.00 1.12 0.00 0.00 29.99 26.66 3cx5 n HIS 85 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3cx5 s HIS 86 N -3.27 1.86 0.32 4.41 3.76 -1.05 -5.06 115.29 116.26 3cx5 s HIS 86 Ca 0.50 -1.09 0.08 0.00 -0.15 0.00 0.00 55.06 54.40 3cx5 s HIS 86 Cb -0.22 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 3cx5 s HIS 86 CO 0.62 -0.12 0.11 -0.51 -0.85 0.00 0.00 174.74 173.98 3cx5 s LEU 87 N -3.53 3.27 0.72 0.89 1.43 -1.26 -4.41 118.68 115.80 3cx5 s LEU 87 Ca 0.31 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 3cx5 s LEU 87 Cb 0.06 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.55 3cx5 s LEU 87 CO 0.15 -0.22 1.07 -0.76 0.23 0.00 0.00 176.35 176.82 3cx5 s LEU 88 N -3.81 2.96 0.53 1.79 1.43 -0.70 -4.99 118.68 115.90 3cx5 s LEU 88 Ca 0.36 1.50 -0.22 0.00 -1.03 0.00 0.00 54.13 54.74 3cx5 s LEU 88 Cb -0.04 -4.30 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3cx5 s LEU 88 CO 0.22 -1.58 1.31 -2.84 0.23 0.00 0.00 176.35 173.69 3cx5 s PRO 89 N -5.09 3.23 0.36 1.29 0.02 -1.26 -4.86 135.00 128.69 3cx5 s PRO 89 Ca 0.59 2.12 0.17 0.00 0.02 0.00 0.00 61.00 63.90 3cx5 s PRO 89 Cb -0.14 -2.26 1.12 0.00 0.02 0.00 0.00 34.50 33.25 3cx5 s PRO 89 CO 0.55 -1.08 1.68 0.00 -0.33 0.00 0.00 177.00 177.81 3cx5 h ARG 90 N 1.52 0.31 0.00 5.54 3.08 -1.96 0.41 114.38 123.29 3cx5 h ARG 90 Ca -0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3cx5 h ARG 90 Cb 1.29 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3cx5 h ARG 90 CO 0.58 0.21 0.00 -2.95 -1.07 0.00 0.00 179.97 176.73 3cx5 h ASN 91 N 0.32 0.00 0.07 7.04 7.08 -2.03 -2.57 115.58 125.50 3cx5 h ASN 91 Ca 0.72 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.94 3cx5 h ASN 91 Cb 1.74 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.98 3cx5 h ASN 91 CO -0.53 0.00 -0.44 -0.62 -2.08 0.00 0.00 177.43 173.76 3cx5 n GLU 92 N -2.42 1.00 -1.96 4.14 1.02 0.13 -4.95 120.64 117.60 3cx5 n GLU 92 Ca 0.02 -0.76 -0.37 0.00 -0.02 0.00 0.00 57.16 56.02 3cx5 n GLU 92 Cb 0.23 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.20 3cx5 n GLU 92 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3cx5 s TRP 93 N -2.53 2.44 0.06 -0.32 0.52 -0.97 -4.60 118.94 113.55 3cx5 s TRP 93 Ca 0.19 1.46 -0.31 0.00 0.02 0.00 0.00 56.10 57.47 3cx5 s TRP 93 Cb 0.18 -3.60 -0.06 0.00 -1.15 0.00 0.00 33.47 28.84 3cx5 s TRP 93 CO 0.58 -2.37 1.28 0.42 0.02 0.00 0.00 176.95 176.88 3cx5 s ILE 94 N -1.45 3.78 0.45 2.03 -1.09 -0.82 -4.99 121.20 119.11 3cx5 s ILE 94 Ca 0.72 1.26 -0.15 0.00 -2.23 0.00 0.00 60.65 60.25 3cx5 s ILE 94 Cb -0.35 -3.81 -0.08 0.00 -1.58 0.00 0.00 42.46 36.65 3cx5 s ILE 94 CO 0.40 0.08 0.89 -0.54 -1.23 0.00 0.00 174.94 174.54 3cx5 s LYS 95 N 1.29 3.94 0.41 2.79 1.02 -1.26 -4.87 119.74 123.06 3cx5 s LYS 95 Ca 0.61 0.80 0.15 0.00 0.02 0.00 0.00 55.97 57.55 3cx5 s LYS 95 Cb -0.32 -2.25 1.02 0.00 -0.52 0.00 0.00 37.83 35.76 3cx5 s LYS 95 CO 0.29 -0.12 1.87 0.00 -0.92 0.00 0.00 175.35 176.47 3cx5 h ALA 96 N 1.30 2.10 0.00 5.17 0.00 -1.96 0.28 119.26 126.15 3cx5 h ALA 96 Ca -0.47 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3cx5 h ALA 96 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3cx5 h ALA 96 CO 0.63 -0.36 -0.26 1.96 0.00 0.00 0.00 179.25 181.21 3cx5 h GLN 97 N 0.47 0.00 0.00 0.00 7.50 -2.03 -2.76 115.11 118.29 3cx5 h GLN 97 Ca 0.45 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.60 3cx5 h GLN 97 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.53 3cx5 h GLN 97 CO -0.17 0.26 -0.75 0.39 -1.50 0.00 0.00 178.83 177.05 3cx5 n GLU 98 N -3.64 0.15 -1.49 1.46 1.02 0.89 -4.52 120.64 114.51 3cx5 n GLU 98 Ca -0.01 0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 3cx5 n GLU 98 Cb 0.38 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 3cx5 n GLU 98 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3cx5 n ASP 99 N -1.77 7.64 -4.86 1.62 2.03 -0.63 -4.91 116.55 115.66 3cx5 n ASP 99 Ca 0.04 -2.70 -0.34 0.00 0.52 0.00 0.00 54.79 52.31 3cx5 n ASP 99 Cb 0.39 -1.56 -0.06 0.00 -0.72 0.00 0.00 41.12 39.18 3cx5 n ASP 99 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3cx5 s VAL 100 N 1.99 4.96 -1.44 5.18 1.01 -1.26 -4.85 120.40 126.00 3cx5 s VAL 100 Ca 0.63 0.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.09 3cx5 s VAL 100 Cb 0.17 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3cx5 s VAL 100 CO -0.07 0.20 2.43 -0.81 0.00 0.00 0.00 175.10 176.85 3cx5 n PRO 101 N 0.66 2.98 0.26 2.72 -0.04 -1.26 -4.71 135.00 135.62 3cx5 n PRO 101 Ca -0.05 -2.37 0.11 0.00 -0.04 0.00 0.00 63.50 61.15 3cx5 n PRO 101 Cb 0.52 -3.07 0.72 0.00 -0.04 0.00 0.00 33.50 31.63 3cx5 n PRO 101 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 3cx5 h TYR 102 N 5.85 0.00 0.00 0.54 -0.00 -1.96 -3.11 116.97 118.29 3cx5 h TYR 102 Ca 0.65 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 59.17 3cx5 h TYR 102 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.20 3cx5 h TYR 102 CO 1.60 0.08 -1.98 -0.11 -0.00 0.00 0.00 178.16 177.74 3cx5 n LEU 103 N -4.01 0.27 -0.26 0.10 7.94 -1.26 -4.59 117.00 115.19 3cx5 n LEU 103 Ca -0.03 0.12 0.04 0.00 -1.11 0.00 0.00 56.01 55.03 3cx5 n LEU 103 Cb 0.17 0.23 0.13 0.00 0.53 0.00 0.00 43.42 44.48 3cx5 n LEU 103 CO 0.31 0.26 0.77 0.25 -1.11 0.00 0.00 177.39 177.87 3cx5 h LEU 104 N 0.00 -0.53 -1.59 -1.96 5.85 -1.94 -0.67 115.31 114.48 3cx5 h LEU 104 Ca -0.28 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3cx5 h LEU 104 Cb 1.71 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 43.14 3cx5 h LEU 104 CO 0.03 -0.22 0.10 1.55 -0.34 0.00 0.00 178.44 179.56 3cx5 h PRO 105 N 0.05 0.37 -0.28 5.25 0.13 -1.81 0.12 132.00 135.83 3cx5 h PRO 105 Ca 0.40 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.31 3cx5 h PRO 105 Cb 0.67 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 3cx5 h PRO 105 CO -0.73 0.32 -0.51 1.88 -0.23 0.00 0.00 178.00 178.73 3cx5 h TYR 106 N 0.38 0.97 -0.14 1.56 -1.99 -1.45 -2.37 116.97 113.93 3cx5 h TYR 106 Ca 0.10 -0.33 -0.02 0.00 2.00 0.00 0.00 58.73 60.48 3cx5 h TYR 106 Cb 0.09 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 3cx5 h TYR 106 CO 0.00 1.13 0.02 0.82 -0.00 0.00 0.00 178.16 180.13 3cx5 h ILE 107 N 0.61 1.22 -0.85 -2.88 2.04 -0.29 -2.01 117.51 115.36 3cx5 h ILE 107 Ca 0.02 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 3cx5 h ILE 107 Cb 1.09 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 3cx5 h ILE 107 CO 0.11 0.21 0.51 -0.07 0.00 0.00 0.00 178.15 178.92 3cx5 h LEU 108 N 0.00 1.02 -0.33 1.44 3.38 -0.80 -0.22 115.31 119.80 3cx5 h LEU 108 Ca 0.04 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3cx5 h LEU 108 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3cx5 h LEU 108 CO 0.00 0.78 0.01 -0.08 0.09 0.00 0.00 178.44 179.24 3cx5 h GLU 109 N 1.17 0.57 -0.68 1.13 4.81 -1.36 -0.98 114.58 119.23 3cx5 h GLU 109 Ca 0.31 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3cx5 h GLU 109 Cb -0.05 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3cx5 h GLU 109 CO -0.06 0.69 0.23 0.00 -0.73 0.00 0.00 179.01 179.14 3cx5 h ALA 110 N 0.86 0.89 -0.54 2.92 0.00 -0.98 -1.97 119.26 120.43 3cx5 h ALA 110 Ca 0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3cx5 h ALA 110 Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3cx5 h ALA 110 CO 0.01 0.54 0.11 0.93 0.00 0.00 0.00 179.25 180.85 3cx5 h GLU 111 N 0.98 0.87 -0.76 0.00 5.08 -0.90 -1.22 114.58 118.63 3cx5 h GLU 111 Ca 0.22 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3cx5 h GLU 111 Cb 0.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3cx5 h GLU 111 CO -0.01 0.84 0.36 0.00 -1.00 0.00 0.00 179.01 179.20 3cx5 h ALA 112 N 1.00 0.99 -0.47 3.43 0.00 -1.01 0.37 119.26 123.57 3cx5 h ALA 112 Ca 0.17 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3cx5 h ALA 112 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cx5 h ALA 112 CO 0.01 0.55 -0.11 0.00 0.00 0.00 0.00 179.25 179.70 3cx5 h ALA 113 N 1.18 0.64 -0.51 0.00 0.00 -1.18 -1.77 119.26 117.62 3cx5 h ALA 113 Ca 0.26 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3cx5 h ALA 113 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3cx5 h ALA 113 CO -0.03 0.54 -0.14 0.00 0.00 0.00 0.00 179.25 179.62 3cx5 h ALA 114 N 0.88 0.78 -0.50 0.00 0.00 -1.00 -1.27 119.26 118.16 3cx5 h ALA 114 Ca 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3cx5 h ALA 114 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3cx5 h ALA 114 CO 0.05 0.67 0.23 -0.22 0.00 0.00 0.00 179.25 179.97 3cx5 h LYS 115 N 0.87 0.73 -0.70 0.00 1.63 -0.77 -1.61 116.57 116.71 3cx5 h LYS 115 Ca 0.13 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 3cx5 h LYS 115 Cb 0.70 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.17 3cx5 h LYS 115 CO 0.05 0.62 0.15 1.49 -3.45 0.00 0.00 179.45 178.31 3cx5 h GLU 116 N 0.66 1.14 -0.53 1.90 4.81 -1.17 -1.24 114.58 120.16 3cx5 h GLU 116 Ca 0.17 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3cx5 h GLU 116 Cb 0.14 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3cx5 h GLU 116 CO -0.02 1.01 0.31 -0.22 -0.73 0.00 0.00 179.01 179.36 3cx5 h LYS 117 N 1.07 0.73 -0.59 1.92 3.64 -0.92 0.80 116.57 123.22 3cx5 h LYS 117 Ca 0.22 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3cx5 h LYS 117 Cb 0.40 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3cx5 h LYS 117 CO 0.01 0.54 0.33 0.22 -2.27 0.00 0.00 179.45 178.28 3cx5 h ASP 118 N 0.71 0.73 -0.23 4.20 3.58 -1.06 0.12 116.42 124.47 3cx5 h ASP 118 Ca 0.19 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 3cx5 h ASP 118 Cb 0.01 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 3cx5 h ASP 118 CO -0.03 0.60 0.11 -0.33 -2.88 0.00 0.00 179.24 176.71 3cx5 h GLU 119 N 0.80 0.33 -0.17 0.28 5.08 -0.78 -2.33 114.58 117.80 3cx5 h GLU 119 Ca 0.21 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3cx5 h GLU 119 Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3cx5 h GLU 119 CO -0.04 0.34 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.04 3cx5 h LEU 120 N 0.24 0.30 -1.43 1.33 3.38 -0.57 -1.39 115.31 117.16 3cx5 h LEU 120 Ca 0.08 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3cx5 h LEU 120 Cb 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3cx5 h LEU 120 CO -0.01 0.52 -0.22 0.44 0.09 0.00 0.00 178.44 179.26 3cx5 h ASP 121 N 0.28 0.00 -0.12 -0.43 3.32 -0.48 -3.17 116.42 115.82 3cx5 h ASP 121 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3cx5 h ASP 121 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3cx5 h ASP 121 CO 0.04 0.22 0.00 0.59 -1.72 0.00 0.00 179.24 178.37 3cx5 n ASN 122 N -3.59 2.90 -4.77 6.45 3.02 -0.82 -5.06 115.26 113.39 3cx5 n ASN 122 Ca -0.01 -2.87 -0.40 0.00 -0.03 0.00 0.00 54.58 51.27 3cx5 n ASN 122 Cb 0.36 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.13 3cx5 n ASN 122 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3cx5 s ILE 123 N -2.53 2.08 -0.05 2.41 -4.36 -0.59 -5.01 121.20 113.14 3cx5 s ILE 123 Ca 0.32 0.07 -0.01 0.00 -0.26 0.00 0.00 60.65 60.76 3cx5 s ILE 123 Cb 0.26 -3.04 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 3cx5 s ILE 123 CO 0.06 0.01 0.03 -1.61 0.24 0.00 0.00 174.94 173.67 3cx5 s GLU 124 N -2.40 3.00 -0.24 0.37 2.02 -1.26 -5.09 118.70 115.10 3cx5 s GLU 124 Ca 0.60 -0.44 -0.09 0.00 0.02 0.00 0.00 54.97 55.06 3cx5 s GLU 124 Cb -0.44 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 3cx5 s GLU 124 CO 0.57 0.68 0.11 0.14 0.02 0.00 0.00 175.26 176.78 3cx5 s VAL 125 N -1.00 4.78 -0.58 2.63 -7.23 -1.26 -5.05 120.40 112.69 3cx5 s VAL 125 Ca 0.17 -0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 60.18 3cx5 s VAL 125 Cb -0.12 -3.23 0.15 0.00 0.56 0.00 0.00 36.38 33.74 3cx5 s VAL 125 CO 0.06 0.34 0.53 -0.55 -0.31 0.00 0.00 175.10 175.17 3cx5 s SER 126 N 1.36 6.21 0.00 4.85 0.15 -1.26 -5.36 113.70 119.66 3cx5 s SER 126 Ca 0.06 -1.99 0.12 0.00 0.70 0.00 0.00 55.95 54.84 3cx5 s SER 126 Cb -0.15 -2.18 0.72 0.00 -1.71 0.00 0.00 66.02 62.71 3cx5 s SER 126 CO 0.05 -0.78 1.15 0.29 1.20 0.00 0.00 173.24 175.16