#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 n ALA 2 N 0.00 1.22 -0.19 3.17 0.00 -1.26 -4.74 120.51 118.71 3cx5 n ALA 2 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.62 3cx5 n ALA 2 Cb 0.00 -2.29 0.36 0.00 0.00 0.00 0.00 19.45 17.51 3cx5 n ALA 2 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3cx5 h PHE 3 N 1.27 0.76 0.00 0.00 -0.00 -2.00 -0.32 116.94 116.66 3cx5 h PHE 3 Ca -0.50 0.02 -0.00 0.00 -0.00 0.00 0.00 57.97 57.49 3cx5 h PHE 3 Cb 1.32 -0.25 -0.00 0.00 -0.00 0.00 0.00 35.95 37.02 3cx5 h PHE 3 CO 0.44 0.40 -0.01 0.07 -0.00 0.00 0.00 178.31 179.20 3cx5 h ARG 4 N 0.75 0.00 0.02 1.11 0.11 -1.91 -1.46 114.38 112.99 3cx5 h ARG 4 Ca 0.32 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 60.03 3cx5 h ARG 4 Cb 0.29 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.31 3cx5 h ARG 4 CO -0.11 0.01 -2.31 1.63 0.10 0.00 0.00 179.97 179.29 3cx5 n LYS 5 N -3.22 0.68 0.12 0.08 5.02 -0.22 -1.98 118.16 118.64 3cx5 n LYS 5 Ca -0.02 0.13 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 3cx5 n LYS 5 Cb 0.13 -1.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.42 3cx5 n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3cx5 h SER 6 N 0.01 0.61 -3.36 4.39 4.64 -1.09 -3.41 113.55 115.35 3cx5 h SER 6 Ca -0.52 -0.65 -0.53 0.00 -0.47 0.00 0.00 61.79 59.62 3cx5 h SER 6 Cb 2.04 -0.20 0.06 0.00 -0.31 0.00 0.00 62.40 63.99 3cx5 h SER 6 CO -0.01 1.50 0.79 0.21 -0.87 0.00 0.00 176.83 178.45 3cx5 s ASN 7 N -7.34 6.59 0.34 4.97 3.84 -0.57 -4.91 114.94 117.86 3cx5 s ASN 7 Ca -0.06 2.73 0.05 0.00 0.21 0.00 0.00 52.86 55.78 3cx5 s ASN 7 Cb 0.06 -2.62 0.69 0.00 -0.55 0.00 0.00 41.25 38.83 3cx5 s ASN 7 CO 0.91 -0.75 1.93 1.62 -2.79 0.00 0.00 177.10 178.02 3cx5 h VAL 8 N 3.52 1.01 0.03 -5.21 3.04 -1.90 -0.87 116.25 115.87 3cx5 h VAL 8 Ca -0.46 -0.28 -0.18 0.00 -1.01 0.00 0.00 66.70 64.76 3cx5 h VAL 8 Cb 1.22 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.59 3cx5 h VAL 8 CO 0.78 0.15 -0.97 1.88 -1.01 0.00 0.00 177.57 178.41 3cx5 h TYR 9 N 0.82 0.12 0.00 3.17 0.99 -1.96 -3.37 116.97 116.75 3cx5 h TYR 9 Ca 0.35 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.97 3cx5 h TYR 9 Cb 0.30 -0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.03 3cx5 h TYR 9 CO -0.00 1.38 -0.13 -0.07 -0.00 0.00 0.00 178.16 179.34 3cx5 h LEU 10 N -0.81 0.00 -1.76 3.88 3.38 -1.81 -2.14 115.31 116.05 3cx5 h LEU 10 Ca -0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3cx5 h LEU 10 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 3cx5 h LEU 10 CO -0.08 0.13 -0.10 0.77 0.09 0.00 0.00 178.44 179.24 3cx5 h SER 11 N 0.00 0.02 -0.13 -0.43 4.64 -0.50 0.32 113.55 117.46 3cx5 h SER 11 Ca -0.00 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 3cx5 h SER 11 Cb 0.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3cx5 h SER 11 CO 0.02 0.13 -0.43 -0.07 -0.87 0.00 0.00 176.83 175.60 3cx5 h LEU 12 N 0.02 0.61 -0.57 5.97 3.38 -1.55 -1.08 115.31 122.10 3cx5 h LEU 12 Ca 0.00 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 3cx5 h LEU 12 Cb 0.20 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3cx5 h LEU 12 CO 0.01 1.11 0.27 0.58 0.09 0.00 0.00 178.44 180.50 3cx5 h VAL 13 N 0.15 1.21 -0.49 1.22 2.07 -1.30 -1.54 116.25 117.57 3cx5 h VAL 13 Ca -0.02 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3cx5 h VAL 13 Cb 1.06 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3cx5 h VAL 13 CO 0.09 0.24 0.19 -1.13 0.02 0.00 0.00 177.57 176.98 3cx5 h ASN 14 N 0.78 0.68 0.26 0.57 -0.73 -0.37 0.77 115.58 117.53 3cx5 h ASN 14 Ca 0.20 -0.18 -0.11 0.00 1.87 0.00 0.00 56.30 58.08 3cx5 h ASN 14 Cb 0.13 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 3cx5 h ASN 14 CO -0.02 0.67 -0.43 0.77 -0.37 0.00 0.00 177.43 178.04 3cx5 h SER 15 N 0.65 0.24 0.42 1.15 4.64 -0.99 0.70 113.55 120.34 3cx5 h SER 15 Ca 0.16 -0.10 -0.31 0.00 -0.47 0.00 0.00 61.79 61.07 3cx5 h SER 15 Cb 0.21 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3cx5 h SER 15 CO -0.01 0.65 -1.72 1.88 -0.87 0.00 0.00 176.83 176.75 3cx5 h TYR 16 N 0.19 0.19 0.00 4.77 -1.99 -1.13 -3.24 116.97 115.76 3cx5 h TYR 16 Ca 0.01 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.60 3cx5 h TYR 16 Cb 0.84 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.57 3cx5 h TYR 16 CO 0.01 1.26 0.00 0.44 -0.00 0.00 0.00 178.16 179.88 3cx5 n ILE 17 N -3.24 0.06 0.02 -2.88 -5.35 0.25 -4.73 119.36 103.50 3cx5 n ILE 17 Ca -0.20 -0.21 -0.02 0.00 -0.27 0.00 0.00 62.75 62.05 3cx5 n ILE 17 Cb 1.04 1.49 -0.01 0.00 -1.74 0.00 0.00 39.64 40.43 3cx5 n ILE 17 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3cx5 n ILE 18 N -0.03 1.30 1.08 7.28 5.41 -0.97 -3.75 119.36 129.67 3cx5 n ILE 18 Ca 0.00 0.35 0.12 0.00 1.00 0.00 0.00 62.75 64.21 3cx5 n ILE 18 Cb 0.20 -1.76 0.12 0.00 -0.71 0.00 0.00 39.64 37.49 3cx5 n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3cx5 n ASP 19 N -3.72 1.57 -4.65 4.38 8.00 0.20 -0.29 116.55 122.04 3cx5 n ASP 19 Ca -0.03 -1.23 -0.57 0.00 0.71 0.00 0.00 54.79 53.68 3cx5 n ASP 19 Cb 0.12 0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.54 3cx5 n ASP 19 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3cx5 n SER 20 N -0.39 2.29 -4.61 -2.24 2.88 -1.23 -4.62 113.62 105.70 3cx5 n SER 20 Ca 0.10 0.95 -0.43 0.00 -1.33 0.00 0.00 58.87 58.16 3cx5 n SER 20 Cb 0.41 -1.15 -0.02 0.00 -0.75 0.00 0.00 64.21 62.70 3cx5 n SER 20 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3cx5 s PRO 21 N 4.12 3.57 -0.00 -1.46 0.02 -1.26 -1.60 135.00 138.38 3cx5 s PRO 21 Ca 1.01 1.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 3cx5 s PRO 21 Cb -1.06 -4.08 -0.04 0.00 0.02 0.00 0.00 34.50 29.34 3cx5 s PRO 21 CO 0.63 -1.57 0.11 -0.65 -0.33 0.00 0.00 177.00 175.19 3cx5 s GLN 22 N 5.08 3.17 0.22 5.54 -1.52 0.61 -4.85 119.66 127.91 3cx5 s GLN 22 Ca 0.70 -0.44 -0.31 0.00 -1.95 0.00 0.00 55.36 53.36 3cx5 s GLN 22 Cb -0.20 -2.92 -0.11 0.00 -0.22 0.00 0.00 33.01 29.56 3cx5 s GLN 22 CO 0.32 0.65 1.55 -2.14 -0.25 0.00 0.00 175.29 175.42 3cx5 s PRO 23 N -1.81 4.20 0.62 2.91 0.02 -1.26 -0.67 135.00 139.01 3cx5 s PRO 23 Ca 0.24 2.41 0.36 0.00 0.02 0.00 0.00 61.00 64.03 3cx5 s PRO 23 Cb -0.12 -3.10 2.04 0.00 0.02 0.00 0.00 34.50 33.34 3cx5 s PRO 23 CO 0.15 -0.57 2.29 0.66 -0.33 0.00 0.00 177.00 179.21 3cx5 h SER 24 N 5.83 0.00 -0.21 2.53 4.64 -1.80 -3.11 113.55 121.44 3cx5 h SER 24 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3cx5 h SER 24 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3cx5 h SER 24 CO 0.85 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.28 3cx5 n SER 25 N -3.53 3.08 -4.71 4.97 3.41 -1.26 -4.98 113.62 110.60 3cx5 n SER 25 Ca -0.03 -1.96 -0.43 0.00 -0.26 0.00 0.00 58.87 56.19 3cx5 n SER 25 Cb 0.09 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 3cx5 n SER 25 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3cx5 n ILE 26 N 1.31 0.42 -2.50 -1.33 -5.35 -1.18 -4.53 119.36 106.20 3cx5 n ILE 26 Ca 0.17 -0.11 -0.11 0.00 -0.27 0.00 0.00 62.75 62.43 3cx5 n ILE 26 Cb 0.58 -1.84 0.06 0.00 -1.74 0.00 0.00 39.64 36.69 3cx5 n ILE 26 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3cx5 n ASN 27 N 3.11 0.72 0.33 7.28 0.23 -1.26 -4.96 115.26 120.72 3cx5 n ASN 27 Ca 0.13 -1.59 0.20 0.00 -0.53 0.00 0.00 54.58 52.79 3cx5 n ASN 27 Cb 0.34 -0.31 1.07 0.00 -2.08 0.00 0.00 39.78 38.80 3cx5 n ASN 27 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 3cx5 h TYR 28 N -0.42 0.00 0.00 -2.53 0.05 -2.01 -1.24 116.97 110.82 3cx5 h TYR 28 Ca -0.16 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 3cx5 h TYR 28 Cb 0.61 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.35 3cx5 h TYR 28 CO 0.00 0.00 -0.07 -1.49 -1.05 0.00 0.00 178.16 175.55 3cx5 h TRP 29 N 0.00 0.00 -0.01 4.88 4.06 -2.01 -1.51 115.95 121.36 3cx5 h TRP 29 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3cx5 h TRP 29 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3cx5 h TRP 29 CO 0.00 0.07 0.00 0.91 -3.56 0.00 0.00 178.44 175.86 3cx5 n TRP 30 N -3.38 0.01 0.98 0.49 8.01 -0.47 -3.32 117.44 119.77 3cx5 n TRP 30 Ca -0.01 -0.01 0.12 0.00 -1.31 0.00 0.00 57.50 56.29 3cx5 n TRP 30 Cb 0.23 0.00 0.18 0.00 -2.01 0.00 0.00 31.31 29.71 3cx5 n TRP 30 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 3cx5 n ASN 31 N -0.74 0.59 0.01 -0.99 4.13 -0.57 -4.31 115.26 113.38 3cx5 n ASN 31 Ca 0.16 -0.36 -0.00 0.00 1.68 0.00 0.00 54.58 56.05 3cx5 n ASN 31 Cb 0.10 0.39 0.29 0.00 -1.54 0.00 0.00 39.78 39.01 3cx5 n ASN 31 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 3cx5 h MET 32 N 0.00 0.50 -0.12 3.52 2.86 -1.73 -2.82 114.93 117.14 3cx5 h MET 32 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3cx5 h MET 32 Cb 0.51 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3cx5 h MET 32 CO 0.00 0.56 0.07 0.78 1.06 0.00 0.00 176.91 179.38 3cx5 h GLY 33 N 0.85 0.16 1.59 8.32 0.00 -1.85 0.84 103.07 112.99 3cx5 h GLY 33 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3cx5 h GLY 33 CO 0.02 0.05 0.13 1.48 0.00 0.00 0.00 176.54 178.21 3cx5 h SER 34 N 0.14 0.48 -0.46 0.19 4.64 -1.81 -1.39 113.55 115.35 3cx5 h SER 34 Ca 0.05 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3cx5 h SER 34 Cb -0.00 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3cx5 h SER 34 CO -0.02 0.46 0.01 -0.07 -0.87 0.00 0.00 176.83 176.34 3cx5 h LEU 35 N 0.53 0.83 -0.92 5.97 4.07 -1.07 -1.47 115.31 123.24 3cx5 h LEU 35 Ca 0.13 -0.21 -0.09 0.00 0.08 0.00 0.00 57.88 57.80 3cx5 h LEU 35 Cb 0.14 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 3cx5 h LEU 35 CO -0.01 0.89 -0.12 -0.07 -1.08 0.00 0.00 178.44 178.05 3cx5 h LEU 36 N 0.81 0.64 -0.63 1.67 3.38 0.20 -0.14 115.31 121.24 3cx5 h LEU 36 Ca 0.16 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3cx5 h LEU 36 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3cx5 h LEU 36 CO 0.02 0.79 0.11 1.23 0.09 0.00 0.00 178.44 180.68 3cx5 h GLY 37 N 0.97 1.11 0.96 0.83 0.00 -0.92 -1.45 103.07 104.58 3cx5 h GLY 37 Ca 0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3cx5 h GLY 37 CO 0.03 0.68 0.20 -2.00 0.00 0.00 0.00 176.54 175.46 3cx5 h LEU 38 N 0.95 0.65 -0.24 3.11 6.46 -0.85 -1.84 115.31 123.54 3cx5 h LEU 38 Ca 0.19 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 3cx5 h LEU 38 Cb 0.42 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3cx5 h LEU 38 CO 0.01 0.63 0.12 0.00 -0.62 0.00 0.00 178.44 178.58 3cx5 h LEU 40 N 0.26 0.70 -0.36 0.00 5.85 -1.05 0.19 115.31 120.90 3cx5 h LEU 40 Ca 0.10 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3cx5 h LEU 40 Cb 0.02 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3cx5 h LEU 40 CO -0.07 0.49 0.12 0.58 -0.34 0.00 0.00 178.44 179.22 3cx5 h VAL 41 N 0.84 1.20 -0.44 1.05 2.07 -0.83 -1.19 116.25 118.95 3cx5 h VAL 41 Ca 0.28 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3cx5 h VAL 41 Cb 0.02 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3cx5 h VAL 41 CO -0.11 0.23 0.22 0.40 0.02 0.00 0.00 177.57 178.33 3cx5 h ILE 42 N 0.43 0.98 -0.25 4.57 2.04 -0.35 -1.17 117.51 123.75 3cx5 h ILE 42 Ca 0.12 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3cx5 h ILE 42 Cb 0.23 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3cx5 h ILE 42 CO -0.01 0.08 0.10 1.56 0.00 0.00 0.00 178.15 179.89 3cx5 h GLN 43 N 0.44 0.38 -0.51 2.37 1.08 -0.75 -1.76 115.11 116.37 3cx5 h GLN 43 Ca 0.19 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.25 3cx5 h GLN 43 Cb 0.09 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3cx5 h GLN 43 CO -0.13 0.42 0.06 0.82 -0.95 0.00 0.00 178.83 179.05 3cx5 h ILE 44 N 0.26 1.26 0.07 2.54 2.04 -1.06 0.15 117.51 122.77 3cx5 h ILE 44 Ca 0.08 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 3cx5 h ILE 44 Cb 0.18 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3cx5 h ILE 44 CO -0.01 0.35 -0.03 0.58 0.00 0.00 0.00 178.15 179.04 3cx5 h VAL 45 N 0.73 1.17 -0.52 1.67 2.07 -1.19 -0.98 116.25 119.20 3cx5 h VAL 45 Ca 0.15 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 3cx5 h VAL 45 Cb 0.44 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3cx5 h VAL 45 CO 0.01 0.22 0.19 0.71 0.02 0.00 0.00 177.57 178.73 3cx5 h THR 46 N -0.51 1.20 -0.34 2.57 1.35 -1.36 -2.35 112.91 113.46 3cx5 h THR 46 Ca -0.01 -0.63 -0.02 0.00 -0.55 0.00 0.00 66.41 65.20 3cx5 h THR 46 Cb 0.43 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 3cx5 h THR 46 CO 0.02 0.25 0.14 1.23 -0.25 0.00 0.00 175.52 176.90 3cx5 h GLY 47 N 0.90 0.54 0.97 5.82 0.00 -0.83 -1.88 103.07 108.59 3cx5 h GLY 47 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3cx5 h GLY 47 CO -0.01 0.27 0.21 -2.22 0.00 0.00 0.00 176.54 174.79 3cx5 h ILE 48 N 0.40 1.15 -0.04 2.60 1.08 -0.91 0.48 117.51 122.28 3cx5 h ILE 48 Ca 0.11 -0.41 -0.05 0.00 -0.39 0.00 0.00 64.86 64.13 3cx5 h ILE 48 Cb 0.17 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 3cx5 h ILE 48 CO -0.01 0.16 -0.20 -0.26 -0.69 0.00 0.00 178.15 177.15 3cx5 h PHE 49 N 0.51 0.07 0.07 1.37 -1.00 -1.36 -2.52 116.94 114.08 3cx5 h PHE 49 Ca 0.14 -0.01 -0.24 0.00 2.81 0.00 0.00 57.97 60.67 3cx5 h PHE 49 Cb 0.07 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3cx5 h PHE 49 CO -0.02 0.27 -1.11 0.52 -1.61 0.00 0.00 178.31 176.35 3cx5 h MET 50 N 0.06 0.20 -0.34 1.51 2.86 -0.93 -3.23 114.93 115.06 3cx5 h MET 50 Ca 0.01 -0.32 0.05 0.00 -2.06 0.00 0.00 59.70 57.39 3cx5 h MET 50 Cb 0.40 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3cx5 h MET 50 CO 0.03 1.12 0.23 0.00 1.06 0.00 0.00 176.91 179.35 3cx5 h ALA 51 N 0.75 2.01 0.00 6.32 0.00 -0.48 -0.88 119.26 126.98 3cx5 h ALA 51 Ca -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3cx5 h ALA 51 Cb 1.83 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 3cx5 h ALA 51 CO 0.17 -0.07 -0.00 0.52 0.00 0.00 0.00 179.25 179.87 3cx5 h MET 52 N 0.25 0.00 -0.06 0.00 2.07 -1.52 -2.63 114.93 113.03 3cx5 h MET 52 Ca 0.15 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 3cx5 h MET 52 Cb 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.02 3cx5 h MET 52 CO -0.03 0.00 0.00 0.72 1.07 0.00 0.00 176.91 178.67 3cx5 n HIS 53 N -3.39 0.08 -3.77 -0.22 8.25 -0.38 -5.05 115.22 110.74 3cx5 n HIS 53 Ca -0.03 -0.27 -0.34 0.00 -0.26 0.00 0.00 57.72 56.82 3cx5 n HIS 53 Cb 0.08 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 3cx5 n HIS 53 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3cx5 s TYR 54 N -0.67 3.56 -0.12 4.41 5.04 -0.91 -4.82 117.35 123.83 3cx5 s TYR 54 Ca 0.06 0.53 0.01 0.00 -2.44 0.00 0.00 57.07 55.23 3cx5 s TYR 54 Cb 0.03 -1.96 0.02 0.00 0.35 0.00 0.00 41.96 40.40 3cx5 s TYR 54 CO 0.05 0.59 -0.16 -1.12 -1.34 0.00 0.00 175.55 173.57 3cx5 s SER 55 N -1.88 2.62 0.14 4.32 0.01 -1.26 -4.98 113.70 112.66 3cx5 s SER 55 Ca 0.30 -0.47 0.26 0.00 1.31 0.00 0.00 55.95 57.34 3cx5 s SER 55 Cb -0.13 -1.17 0.67 0.00 0.21 0.00 0.00 66.02 65.60 3cx5 s SER 55 CO 0.18 0.01 1.61 -1.54 0.41 0.00 0.00 173.24 173.91 3cx5 n SER 56 N 4.34 0.66 -4.65 2.44 3.41 -1.26 -3.22 113.62 115.35 3cx5 n SER 56 Ca -0.19 0.35 -0.46 0.00 -0.26 0.00 0.00 58.87 58.32 3cx5 n SER 56 Cb 0.51 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3cx5 n SER 56 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3cx5 n ASN 57 N -2.07 2.37 0.04 4.04 4.13 -1.26 -3.97 115.26 118.54 3cx5 n ASN 57 Ca 0.05 1.15 0.19 0.00 1.68 0.00 0.00 54.58 57.64 3cx5 n ASN 57 Cb 0.42 -1.38 0.69 0.00 -1.54 0.00 0.00 39.78 37.97 3cx5 n ASN 57 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3cx5 h ILE 58 N 2.89 0.76 0.00 2.41 2.10 -1.90 0.30 117.51 124.08 3cx5 h ILE 58 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.50 3cx5 h ILE 58 Cb 1.29 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 3cx5 h ILE 58 CO 0.73 0.00 -0.28 -0.33 -1.08 0.00 0.00 178.15 177.19 3cx5 h GLU 59 N 0.00 0.00 0.00 2.19 5.08 -1.96 -3.36 114.58 116.52 3cx5 h GLU 59 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3cx5 h GLU 59 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3cx5 h GLU 59 CO -0.00 0.00 -1.08 1.28 -1.00 0.00 0.00 179.01 178.21 3cx5 n LEU 60 N -2.34 0.10 0.14 1.33 4.77 0.08 -4.81 117.00 116.28 3cx5 n LEU 60 Ca 0.04 -0.14 -0.17 0.00 -0.03 0.00 0.00 56.01 55.71 3cx5 n LEU 60 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 3cx5 n LEU 60 CO 0.33 0.03 0.51 0.00 -1.33 0.00 0.00 177.39 176.93 3cx5 h ALA 61 N 0.83 -1.02 -0.49 -1.18 0.00 -0.48 0.17 119.26 117.08 3cx5 h ALA 61 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3cx5 h ALA 61 Cb 0.31 0.89 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3cx5 h ALA 61 CO 0.00 -1.14 0.20 0.35 0.00 0.00 0.00 179.25 178.66 3cx5 h PHE 62 N -0.79 0.36 -0.12 0.00 3.57 -1.80 -2.05 116.94 116.10 3cx5 h PHE 62 Ca -0.01 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 3cx5 h PHE 62 Cb 0.78 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3cx5 h PHE 62 CO -0.43 0.14 -0.22 0.77 -2.23 0.00 0.00 178.31 176.34 3cx5 h SER 63 N 0.39 0.20 0.40 0.41 0.02 -1.82 -2.37 113.55 110.78 3cx5 h SER 63 Ca 0.23 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 3cx5 h SER 63 Cb 0.20 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3cx5 h SER 63 CO -0.21 0.44 -0.47 0.77 -1.14 0.00 0.00 176.83 176.22 3cx5 h SER 64 N 0.19 0.10 0.10 3.07 4.64 -0.26 0.74 113.55 122.13 3cx5 h SER 64 Ca 0.03 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 3cx5 h SER 64 Cb 0.50 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3cx5 h SER 64 CO 0.03 0.56 -0.63 0.58 -0.87 0.00 0.00 176.83 176.50 3cx5 h VAL 65 N 0.07 1.34 -0.22 0.95 2.07 -1.09 -1.50 116.25 117.87 3cx5 h VAL 65 Ca 0.00 -1.93 -0.09 0.00 0.82 0.00 0.00 66.70 65.50 3cx5 h VAL 65 Cb 0.86 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3cx5 h VAL 65 CO 0.07 0.59 -0.26 -0.33 0.02 0.00 0.00 177.57 177.65 3cx5 h GLU 66 N 0.38 0.41 -0.73 1.57 4.39 -1.01 -0.80 114.58 118.79 3cx5 h GLU 66 Ca -0.01 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 3cx5 h GLU 66 Cb 1.19 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 3cx5 h GLU 66 CO 0.12 0.65 0.23 1.25 -1.16 0.00 0.00 179.01 180.10 3cx5 h HIS 67 N 0.37 1.17 -0.44 4.33 -0.00 -0.59 0.22 115.15 120.20 3cx5 h HIS 67 Ca 0.05 -0.11 -0.05 0.00 -0.00 0.00 0.00 60.37 60.26 3cx5 h HIS 67 Cb 0.66 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 3cx5 h HIS 67 CO 0.02 0.92 0.07 0.82 -0.00 0.00 0.00 177.93 179.76 3cx5 h ILE 68 N 1.09 1.25 -0.63 6.26 2.04 -0.61 0.21 117.51 127.12 3cx5 h ILE 68 Ca 0.24 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 3cx5 h ILE 68 Cb 0.30 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3cx5 h ILE 68 CO -0.01 0.32 0.07 0.24 0.00 0.00 0.00 178.15 178.77 3cx5 h MET 69 N 0.60 1.07 0.02 2.37 2.86 -0.60 -3.25 114.93 118.00 3cx5 h MET 69 Ca 0.13 -0.30 -0.37 0.00 -2.06 0.00 0.00 59.70 57.10 3cx5 h MET 69 Cb 0.39 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 3cx5 h MET 69 CO 0.01 1.00 -2.10 0.54 1.06 0.00 0.00 176.91 177.42 3cx5 n ARG 70 N -4.20 0.63 -0.07 1.72 1.74 0.71 -4.14 116.66 113.04 3cx5 n ARG 70 Ca 0.04 0.32 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 3cx5 n ARG 70 Cb 0.31 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 30.00 3cx5 n ARG 70 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3cx5 n ASP 71 N -3.96 0.97 -4.70 0.55 10.43 0.72 -4.93 116.55 115.62 3cx5 n ASP 71 Ca -0.43 0.10 -0.42 0.00 2.57 0.00 0.00 54.79 56.61 3cx5 n ASP 71 Cb 0.88 0.15 -0.03 0.00 1.84 0.00 0.00 41.12 43.97 3cx5 n ASP 71 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3cx5 s VAL 72 N -2.53 3.80 0.00 2.53 1.01 -0.97 -4.95 120.40 119.29 3cx5 s VAL 72 Ca -0.16 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 3cx5 s VAL 72 Cb 0.07 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 3cx5 s VAL 72 CO 0.77 0.05 1.90 -1.00 0.00 0.00 0.00 175.10 176.81 3cx5 s HIS 73 N 1.66 1.45 -0.72 5.22 3.76 -1.26 -0.71 115.29 124.70 3cx5 s HIS 73 Ca 0.61 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 3cx5 s HIS 73 Cb -0.31 -4.15 0.00 0.00 1.11 0.00 0.00 32.58 29.23 3cx5 s HIS 73 CO 0.27 -5.07 0.00 0.09 -0.85 0.00 0.00 174.74 169.19 3cx5 n ASN 74 N 7.62 -4.59 -0.35 1.40 3.02 -1.26 -4.90 115.26 116.20 3cx5 n ASN 74 Ca 0.20 0.17 -0.02 0.00 -0.03 0.00 0.00 54.58 54.89 3cx5 n ASN 74 Cb 0.42 -2.69 0.10 0.00 -0.61 0.00 0.00 39.78 37.01 3cx5 n ASN 74 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3cx5 h GLY 75 N 0.00 1.34 1.77 7.41 0.00 -1.04 -1.96 103.07 110.60 3cx5 h GLY 75 Ca -0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 3cx5 h GLY 75 CO 0.20 0.47 0.06 0.10 0.00 0.00 0.00 176.54 177.38 3cx5 h TYR 76 N 1.27 0.29 -0.26 5.60 -0.00 -1.71 -0.60 116.97 121.56 3cx5 h TYR 76 Ca 0.35 -0.01 -0.12 0.00 0.00 0.00 0.00 58.73 58.96 3cx5 h TYR 76 Cb -0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 36.73 36.51 3cx5 h TYR 76 CO -0.01 0.26 -0.29 0.82 -0.00 0.00 0.00 178.16 178.94 3cx5 h ILE 77 N 0.30 1.31 -0.19 -0.90 2.04 -1.74 -0.24 117.51 118.09 3cx5 h ILE 77 Ca 0.07 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3cx5 h ILE 77 Cb 0.10 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3cx5 h ILE 77 CO -0.00 0.46 0.13 -0.07 0.00 0.00 0.00 178.15 178.67 3cx5 h LEU 78 N 0.37 0.22 -0.09 1.44 3.38 -0.83 -0.70 115.31 119.10 3cx5 h LEU 78 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3cx5 h LEU 78 Cb 0.86 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3cx5 h LEU 78 CO 0.07 0.17 -0.00 -0.09 0.09 0.00 0.00 178.44 178.68 3cx5 h ARG 79 N 0.26 0.16 -0.17 1.13 1.12 -1.11 -0.61 114.38 115.17 3cx5 h ARG 79 Ca 0.07 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.83 3cx5 h ARG 79 Cb -0.02 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.91 3cx5 h ARG 79 CO -0.01 0.43 -0.17 1.88 -3.11 0.00 0.00 179.97 178.98 3cx5 h TYR 80 N -0.12 0.30 -0.18 2.20 0.05 -1.03 0.22 116.97 118.42 3cx5 h TYR 80 Ca 0.03 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 3cx5 h TYR 80 Cb 0.35 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 3cx5 h TYR 80 CO 0.03 0.44 -0.11 -0.07 -1.05 0.00 0.00 178.16 177.40 3cx5 h LEU 81 N 0.26 0.41 -0.44 3.88 3.38 -1.03 0.31 115.31 122.08 3cx5 h LEU 81 Ca 0.05 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3cx5 h LEU 81 Cb 0.46 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3cx5 h LEU 81 CO 0.03 0.75 0.15 -0.74 0.09 0.00 0.00 178.44 178.73 3cx5 h HIS 82 N 0.07 0.70 -0.04 1.13 2.76 -0.79 0.45 115.15 119.42 3cx5 h HIS 82 Ca 0.04 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3cx5 h HIS 82 Cb 0.61 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 3cx5 h HIS 82 CO 0.07 0.62 -0.06 0.00 -1.30 0.00 0.00 177.93 177.26 3cx5 h ALA 83 N 1.00 0.07 0.00 5.26 0.00 -0.96 -2.34 119.26 122.29 3cx5 h ALA 83 Ca 0.14 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3cx5 h ALA 83 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3cx5 h ALA 83 CO -0.01 -0.12 -0.36 -0.91 0.00 0.00 0.00 179.25 177.85 3cx5 h ASN 84 N -0.37 0.00 -0.59 0.00 2.35 -0.98 -2.93 115.58 113.06 3cx5 h ASN 84 Ca 0.01 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3cx5 h ASN 84 Cb 0.59 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3cx5 h ASN 84 CO 0.01 0.36 -0.02 1.23 -1.65 0.00 0.00 177.43 177.36 3cx5 h GLY 85 N 2.12 1.15 0.99 2.83 0.00 -0.08 -1.48 103.07 108.60 3cx5 h GLY 85 Ca -0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 3cx5 h GLY 85 CO 0.05 0.79 0.29 0.00 0.00 0.00 0.00 176.54 177.66 3cx5 h ALA 86 N 1.00 0.60 -0.52 3.60 0.00 -1.23 0.16 119.26 122.86 3cx5 h ALA 86 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3cx5 h ALA 86 Cb 0.58 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3cx5 h ALA 86 CO 0.03 0.09 0.31 0.77 0.00 0.00 0.00 179.25 180.45 3cx5 h SER 87 N 0.63 0.64 -0.54 0.00 0.02 -1.45 -2.17 113.55 110.69 3cx5 h SER 87 Ca 0.17 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3cx5 h SER 87 Cb -0.01 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 3cx5 h SER 87 CO -0.03 0.52 0.16 -0.26 -1.14 0.00 0.00 176.83 176.08 3cx5 h PHE 88 N 0.70 0.92 -0.44 3.45 0.05 -0.90 -1.13 116.94 119.59 3cx5 h PHE 88 Ca 0.19 -0.08 0.06 0.00 3.82 0.00 0.00 57.97 61.95 3cx5 h PHE 88 Cb 0.01 -0.27 -0.05 0.00 2.00 0.00 0.00 35.95 37.64 3cx5 h PHE 88 CO -0.02 0.76 0.15 0.35 -0.18 0.00 0.00 178.31 179.37 3cx5 h PHE 89 N 0.86 0.27 -0.28 -0.55 3.04 -0.25 -0.71 116.94 119.33 3cx5 h PHE 89 Ca 0.19 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 62.00 3cx5 h PHE 89 Cb 0.29 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.74 3cx5 h PHE 89 CO 0.02 0.10 -0.49 0.74 -2.02 0.00 0.00 178.31 176.66 3cx5 h PHE 90 N 0.32 0.92 -0.36 0.41 0.04 -0.91 -0.71 116.94 116.65 3cx5 h PHE 90 Ca 0.21 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 3cx5 h PHE 90 Cb 0.21 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3cx5 h PHE 90 CO -0.16 1.08 0.12 1.98 -0.60 0.00 0.00 178.31 180.74 3cx5 h MET 91 N 0.59 0.56 -0.52 1.51 4.05 -0.84 0.44 114.93 120.71 3cx5 h MET 91 Ca 0.03 -0.12 -0.10 0.00 -0.28 0.00 0.00 59.70 59.23 3cx5 h MET 91 Cb 1.05 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.75 3cx5 h MET 91 CO 0.10 0.57 -0.08 0.28 0.23 0.00 0.00 176.91 178.02 3cx5 h VAL 92 N 0.43 1.26 -0.72 -5.77 2.07 -1.14 -1.99 116.25 110.40 3cx5 h VAL 92 Ca 0.12 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 3cx5 h VAL 92 Cb 0.24 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3cx5 h VAL 92 CO -0.01 0.42 0.22 -0.03 0.02 0.00 0.00 177.57 178.20 3cx5 h MET 93 N 0.85 1.11 -0.76 1.57 -1.53 -0.77 0.58 114.93 115.98 3cx5 h MET 93 Ca 0.14 -0.24 -0.00 0.00 -3.44 0.00 0.00 59.70 56.16 3cx5 h MET 93 Cb 0.60 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 31.46 3cx5 h MET 93 CO 0.04 0.95 0.47 0.74 0.14 0.00 0.00 176.91 179.25 3cx5 h PHE 94 N 1.06 0.99 -0.48 1.39 0.04 -0.63 0.00 116.94 119.32 3cx5 h PHE 94 Ca 0.23 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 3cx5 h PHE 94 Cb 0.30 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 3cx5 h PHE 94 CO 0.02 0.66 -0.09 0.52 -0.60 0.00 0.00 178.31 178.82 3cx5 h MET 95 N 1.04 0.85 -0.41 1.51 2.86 -0.88 0.02 114.93 119.92 3cx5 h MET 95 Ca 0.27 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3cx5 h MET 95 Cb -0.05 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 3cx5 h MET 95 CO -0.05 0.91 0.07 1.25 1.06 0.00 0.00 176.91 180.15 3cx5 h HIS 96 N 0.77 0.72 -0.45 -0.22 -0.00 -0.38 -0.31 115.15 115.29 3cx5 h HIS 96 Ca 0.13 -0.10 -0.12 0.00 -0.00 0.00 0.00 60.37 60.28 3cx5 h HIS 96 Cb 0.59 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 3cx5 h HIS 96 CO 0.03 0.70 -0.20 0.52 -0.00 0.00 0.00 177.93 178.99 3cx5 h MET 97 N 0.54 0.92 -0.72 5.26 2.07 -0.88 -2.52 114.93 119.59 3cx5 h MET 97 Ca 0.13 -0.40 -0.05 0.00 -2.07 0.00 0.00 59.70 57.31 3cx5 h MET 97 Cb 0.37 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.03 3cx5 h MET 97 CO 0.01 1.05 0.25 0.00 1.07 0.00 0.00 176.91 179.29 3cx5 h ALA 98 N 0.85 0.94 -0.34 6.32 0.00 -0.77 -1.10 119.26 125.17 3cx5 h ALA 98 Ca 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3cx5 h ALA 98 Cb 0.76 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3cx5 h ALA 98 CO 0.06 0.61 0.20 -0.22 0.00 0.00 0.00 179.25 179.89 3cx5 h LYS 99 N 1.06 0.39 -0.69 0.00 3.11 -0.99 0.45 116.57 119.90 3cx5 h LYS 99 Ca 0.24 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 58.08 3cx5 h LYS 99 Cb 0.28 -0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 31.37 3cx5 h LYS 99 CO -0.01 0.26 0.43 0.78 -2.81 0.00 0.00 179.45 178.10 3cx5 h GLY 100 N 0.40 1.00 0.94 5.01 0.00 -1.02 -0.50 103.07 108.90 3cx5 h GLY 100 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3cx5 h GLY 100 CO -0.06 0.27 0.12 1.41 0.00 0.00 0.00 176.54 178.29 3cx5 h LEU 101 N 0.84 0.29 -0.28 3.11 4.07 -0.68 0.12 115.31 122.78 3cx5 h LEU 101 Ca 0.28 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 3cx5 h LEU 101 Cb 0.02 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3cx5 h LEU 101 CO -0.11 0.30 0.07 0.22 -1.08 0.00 0.00 178.44 177.84 3cx5 h TYR 102 N 0.26 0.47 -0.36 1.13 3.20 -0.61 -3.18 116.97 117.88 3cx5 h TYR 102 Ca 0.08 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3cx5 h TYR 102 Cb 0.07 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3cx5 h TYR 102 CO -0.03 0.52 0.00 0.66 -1.64 0.00 0.00 178.16 177.66 3cx5 n TYR 103 N -4.69 0.48 -3.26 -3.82 4.02 -0.22 -0.82 117.16 108.85 3cx5 n TYR 103 Ca -0.03 -0.24 -0.21 0.00 -0.01 0.00 0.00 57.90 57.41 3cx5 n TYR 103 Cb 0.18 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.56 3cx5 n TYR 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cx5 n GLY 104 N 1.12 -0.42 0.23 2.72 0.00 -0.78 -3.49 105.19 104.57 3cx5 n GLY 104 Ca 0.13 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.38 3cx5 n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cx5 h SER 105 N -1.95 0.00 1.19 1.61 0.02 -1.07 -2.77 113.55 110.57 3cx5 h SER 105 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3cx5 h SER 105 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3cx5 h SER 105 CO 0.52 0.22 0.00 0.10 -1.14 0.00 0.00 176.83 176.53 3cx5 h TYR 106 N 0.00 0.00 -4.17 3.45 -0.00 -1.86 -3.43 116.97 110.96 3cx5 h TYR 106 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 58.73 58.22 3cx5 h TYR 106 Cb 0.68 0.00 0.10 0.00 0.00 0.00 0.00 36.73 37.50 3cx5 h TYR 106 CO 0.00 0.00 0.39 1.03 -0.00 0.00 0.00 178.16 179.58 3cx5 s ARG 107 N -3.35 2.92 0.39 0.10 0.52 -1.05 -3.74 118.95 114.74 3cx5 s ARG 107 Ca 0.05 1.45 -0.25 0.00 -0.52 0.00 0.00 55.73 56.46 3cx5 s ARG 107 Cb 0.09 -1.96 -0.11 0.00 0.52 0.00 0.00 34.95 33.49 3cx5 s ARG 107 CO 0.53 -1.17 0.94 0.45 0.02 0.00 0.00 175.30 176.07 3cx5 n SER 108 N -2.17 0.95 -1.05 0.23 2.88 -1.26 -1.01 113.62 112.19 3cx5 n SER 108 Ca 0.11 1.04 -0.01 0.00 -1.33 0.00 0.00 58.87 58.68 3cx5 n SER 108 Cb 0.52 -1.30 0.10 0.00 -0.75 0.00 0.00 64.21 62.77 3cx5 n SER 108 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3cx5 n PRO 109 N 0.32 1.92 -0.69 -1.46 -0.04 -1.26 -4.93 135.00 128.86 3cx5 n PRO 109 Ca 0.10 -0.92 0.03 0.00 -0.04 0.00 0.00 63.50 62.67 3cx5 n PRO 109 Cb 0.38 -1.61 0.27 0.00 -0.04 0.00 0.00 33.50 32.50 3cx5 n PRO 109 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cx5 n ARG 110 N 0.13 3.09 -0.30 0.54 1.74 -0.18 -4.66 116.66 117.02 3cx5 n ARG 110 Ca 0.11 -2.99 -0.04 0.00 -0.77 0.00 0.00 57.85 54.16 3cx5 n ARG 110 Cb 0.63 -1.97 0.08 0.00 -1.02 0.00 0.00 32.46 30.17 3cx5 n ARG 110 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3cx5 h VAL 111 N 2.04 1.23 -0.57 1.55 2.07 -1.70 -1.58 116.25 119.29 3cx5 h VAL 111 Ca 0.11 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3cx5 h VAL 111 Cb 1.75 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3cx5 h VAL 111 CO 0.40 0.24 0.22 0.74 0.02 0.00 0.00 177.57 179.19 3cx5 h THR 112 N 1.13 1.23 -0.72 2.57 2.02 -1.91 0.23 112.91 117.45 3cx5 h THR 112 Ca 0.30 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.80 3cx5 h THR 112 Cb -0.05 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 3cx5 h THR 112 CO -0.06 0.27 0.44 0.25 0.37 0.00 0.00 175.52 176.80 3cx5 h LEU 113 N 0.79 0.72 -0.16 2.58 5.85 -1.81 -0.64 115.31 122.63 3cx5 h LEU 113 Ca 0.19 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3cx5 h LEU 113 Cb 0.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3cx5 h LEU 113 CO -0.01 0.49 0.01 -0.25 -0.34 0.00 0.00 178.44 178.33 3cx5 h TRP 114 N 0.85 0.29 -0.83 1.25 2.91 -0.77 -2.10 115.95 117.56 3cx5 h TRP 114 Ca 0.30 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.26 3cx5 h TRP 114 Cb 0.07 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 3cx5 h TRP 114 CO -0.05 0.47 0.48 -0.91 -1.03 0.00 0.00 178.44 177.40 3cx5 h ASN 115 N 0.04 1.02 -0.29 2.65 2.35 -0.65 -1.23 115.58 119.47 3cx5 h ASN 115 Ca 0.05 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 3cx5 h ASN 115 Cb 0.34 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3cx5 h ASN 115 CO 0.01 0.81 0.02 0.58 -1.65 0.00 0.00 177.43 177.19 3cx5 h VAL 116 N 1.15 1.21 -0.69 2.81 2.07 -1.08 -2.14 116.25 119.58 3cx5 h VAL 116 Ca 0.30 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3cx5 h VAL 116 Cb -0.00 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3cx5 h VAL 116 CO -0.05 0.29 0.25 1.23 0.02 0.00 0.00 177.57 179.30 3cx5 h GLY 117 N 0.88 1.11 1.00 2.17 0.00 -0.58 -1.38 103.07 106.26 3cx5 h GLY 117 Ca 0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3cx5 h GLY 117 CO 0.01 0.58 0.19 -2.08 0.00 0.00 0.00 176.54 175.24 3cx5 h VAL 118 N 1.01 1.24 -0.47 4.60 2.07 -0.64 -0.90 116.25 123.15 3cx5 h VAL 118 Ca 0.23 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3cx5 h VAL 118 Cb 0.24 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3cx5 h VAL 118 CO -0.01 0.30 0.30 0.40 0.02 0.00 0.00 177.57 178.58 3cx5 h ILE 119 N 0.82 1.10 -0.92 4.57 2.04 -1.02 -1.44 117.51 122.66 3cx5 h ILE 119 Ca 0.19 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3cx5 h ILE 119 Cb 0.27 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3cx5 h ILE 119 CO -0.01 0.11 0.57 0.40 0.00 0.00 0.00 178.15 179.22 3cx5 h ILE 120 N 0.61 1.25 -0.36 -0.67 2.04 -0.96 -0.99 117.51 118.43 3cx5 h ILE 120 Ca 0.18 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3cx5 h ILE 120 Cb -0.04 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 35.95 3cx5 h ILE 120 CO -0.05 0.25 0.21 0.15 0.00 0.00 0.00 178.15 178.71 3cx5 h PHE 121 N 1.26 0.39 -0.51 1.37 3.57 -0.57 0.21 116.94 122.66 3cx5 h PHE 121 Ca 0.33 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3cx5 h PHE 121 Cb -0.08 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3cx5 h PHE 121 CO -0.00 0.22 0.26 0.82 -2.23 0.00 0.00 178.31 177.38 3cx5 h ILE 122 N 0.42 1.19 -0.52 1.41 2.04 -0.81 -1.90 117.51 119.34 3cx5 h ILE 122 Ca 0.14 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 3cx5 h ILE 122 Cb 0.01 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3cx5 h ILE 122 CO -0.07 0.20 0.05 -0.07 0.00 0.00 0.00 178.15 178.26 3cx5 h LEU 123 N 0.67 0.81 -0.43 1.44 3.38 -0.90 -1.65 115.31 118.63 3cx5 h LEU 123 Ca 0.18 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3cx5 h LEU 123 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3cx5 h LEU 123 CO -0.02 0.84 -0.18 0.74 0.09 0.00 0.00 178.44 179.91 3cx5 h THR 124 N 0.80 1.28 -0.36 0.22 2.02 -0.70 0.84 112.91 117.00 3cx5 h THR 124 Ca 0.16 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 3cx5 h THR 124 Cb 0.41 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3cx5 h THR 124 CO 0.01 0.45 0.14 0.40 0.37 0.00 0.00 175.52 176.89 3cx5 h ILE 125 N 0.71 1.19 -0.75 3.11 2.04 -1.24 -0.97 117.51 121.60 3cx5 h ILE 125 Ca 0.10 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3cx5 h ILE 125 Cb 0.73 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3cx5 h ILE 125 CO 0.06 0.21 0.41 0.00 0.00 0.00 0.00 178.15 178.82 3cx5 h ALA 126 N 0.99 0.96 -0.31 1.87 0.00 -1.11 -1.40 119.26 120.26 3cx5 h ALA 126 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3cx5 h ALA 126 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3cx5 h ALA 126 CO -0.01 0.47 0.13 1.15 0.00 0.00 0.00 179.25 180.99 3cx5 h THR 127 N 1.03 1.18 -0.81 0.00 2.02 -0.55 -1.53 112.91 114.26 3cx5 h THR 127 Ca 0.26 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3cx5 h THR 127 Cb 0.04 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3cx5 h THR 127 CO -0.04 0.18 0.43 0.00 0.37 0.00 0.00 175.52 176.46 3cx5 h ALA 128 N 0.97 1.24 -0.22 6.16 0.00 -0.98 -1.03 119.26 125.41 3cx5 h ALA 128 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3cx5 h ALA 128 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3cx5 h ALA 128 CO -0.01 0.61 0.12 0.35 0.00 0.00 0.00 179.25 180.32 3cx5 h PHE 129 N 1.13 0.31 -0.68 0.00 3.57 -1.01 -1.67 116.94 118.58 3cx5 h PHE 129 Ca 0.28 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 3cx5 h PHE 129 Cb 0.04 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3cx5 h PHE 129 CO 0.01 0.28 0.42 -0.07 -2.23 0.00 0.00 178.31 176.72 3cx5 h LEU 130 N 0.25 0.81 -0.54 0.59 3.38 -0.76 -2.34 115.31 116.70 3cx5 h LEU 130 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3cx5 h LEU 130 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3cx5 h LEU 130 CO -0.01 0.62 0.21 1.23 0.09 0.00 0.00 178.44 180.58 3cx5 h GLY 131 N 0.93 0.86 1.13 0.83 0.00 -1.04 -2.66 103.07 103.12 3cx5 h GLY 131 Ca 0.25 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.13 3cx5 h GLY 131 CO -0.05 0.44 0.54 -1.82 0.00 0.00 0.00 176.54 175.65 3cx5 h TYR 132 N 0.73 0.99 -0.11 5.60 3.20 -1.07 -0.84 116.97 125.48 3cx5 h TYR 132 Ca 0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3cx5 h TYR 132 Cb 0.20 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3cx5 h TYR 132 CO 0.01 0.60 -0.05 0.00 -1.64 0.00 0.00 178.16 177.08 3cx5 h VAL 135 N 0.00 1.27 -6.15 0.00 2.07 -1.59 -3.42 116.25 108.43 3cx5 h VAL 135 Ca -0.00 -1.43 -0.44 0.00 0.82 0.00 0.00 66.70 65.65 3cx5 h VAL 135 Cb 0.23 1.77 0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3cx5 h VAL 135 CO 0.01 0.40 -0.78 0.00 0.02 0.00 0.00 177.57 177.23 3cx5 n TYR 136 N -4.02 -2.23 -2.30 1.57 9.36 -0.67 -3.17 117.16 115.69 3cx5 n TYR 136 Ca -0.02 0.90 -0.00 0.00 3.32 0.00 0.00 57.90 62.10 3cx5 n TYR 136 Cb 0.44 -4.29 0.00 0.00 -0.63 0.00 0.00 39.34 34.86 3cx5 n TYR 136 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3cx5 n GLY 137 N -1.67 0.85 0.29 2.98 0.00 -1.26 -1.43 105.19 104.95 3cx5 n GLY 137 Ca -0.09 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 43.88 3cx5 n GLY 137 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3cx5 h GLN 138 N 0.00 0.99 -0.18 1.61 1.08 0.32 -2.07 115.11 116.86 3cx5 h GLN 138 Ca -0.01 -0.20 -0.11 0.00 -1.45 0.00 0.00 58.65 56.89 3cx5 h GLN 138 Cb 0.03 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 3cx5 h GLN 138 CO 0.01 0.85 -0.38 0.52 -0.95 0.00 0.00 178.83 178.88 3cx5 h MET 139 N 0.93 0.39 0.06 1.46 2.86 -1.85 -2.75 114.93 116.02 3cx5 h MET 139 Ca 0.21 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3cx5 h MET 139 Cb 0.25 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3cx5 h MET 139 CO -0.01 0.71 -0.03 0.77 1.06 0.00 0.00 176.91 179.41 3cx5 h SER 140 N 0.33 -0.07 -0.54 1.22 0.02 -1.74 0.17 113.55 112.95 3cx5 h SER 140 Ca 0.03 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3cx5 h SER 140 Cb 0.81 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 3cx5 h SER 140 CO 0.07 0.02 0.26 -0.74 -1.14 0.00 0.00 176.83 175.30 3cx5 h HIS 141 N -0.15 0.77 0.00 3.45 6.17 -1.33 -0.48 115.15 123.59 3cx5 h HIS 141 Ca -0.01 -0.04 -0.19 0.00 0.71 0.00 0.00 60.37 60.85 3cx5 h HIS 141 Cb 0.13 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.79 3cx5 h HIS 141 CO -0.05 0.60 -0.87 -1.49 0.71 0.00 0.00 177.93 176.83 3cx5 h TRP 142 N 0.73 0.07 -0.36 5.26 4.06 -1.45 -1.27 115.95 123.00 3cx5 h TRP 142 Ca 0.19 -0.04 -0.15 0.00 2.06 0.00 0.00 58.89 60.95 3cx5 h TRP 142 Cb 0.11 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 3cx5 h TRP 142 CO -0.01 0.89 -0.35 0.78 -3.56 0.00 0.00 178.44 176.20 3cx5 h GLY 143 N 2.39 0.95 1.00 1.49 0.00 -0.57 -0.87 103.07 107.45 3cx5 h GLY 143 Ca -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 3cx5 h GLY 143 CO 0.12 0.87 0.35 0.00 0.00 0.00 0.00 176.54 177.88 3cx5 h ALA 144 N 0.75 0.79 0.34 3.60 0.00 -0.99 -0.59 119.26 123.16 3cx5 h ALA 144 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3cx5 h ALA 144 Cb 0.94 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3cx5 h ALA 144 CO 0.09 0.30 -0.16 1.15 0.00 0.00 0.00 179.25 180.62 3cx5 h THR 145 N 0.84 0.68 -0.11 0.00 2.02 -1.03 -2.14 112.91 113.17 3cx5 h THR 145 Ca 0.22 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3cx5 h THR 145 Cb 0.02 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3cx5 h THR 145 CO -0.04 0.05 0.06 0.58 0.37 0.00 0.00 175.52 176.54 3cx5 h VAL 146 N -0.59 1.09 -0.55 3.16 2.07 -1.10 -1.79 116.25 118.53 3cx5 h VAL 146 Ca -0.05 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3cx5 h VAL 146 Cb 0.43 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3cx5 h VAL 146 CO 0.08 0.08 0.02 0.40 0.02 0.00 0.00 177.57 178.16 3cx5 h ILE 147 N 0.08 1.26 -0.35 4.57 2.04 -1.15 -2.06 117.51 121.89 3cx5 h ILE 147 Ca 0.04 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 64.71 3cx5 h ILE 147 Cb 0.08 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3cx5 h ILE 147 CO -0.01 0.39 -0.17 0.71 0.00 0.00 0.00 178.15 179.08 3cx5 h THR 148 N 0.85 1.26 0.00 -0.27 1.35 -1.41 -2.45 112.91 112.24 3cx5 h THR 148 Ca 0.16 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3cx5 h THR 148 Cb 0.52 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3cx5 h THR 148 CO 0.03 0.40 0.00 0.78 -0.25 0.00 0.00 175.52 176.47 3cx5 h ASN 149 N 0.58 0.00 -0.63 5.36 2.35 -0.72 -2.42 115.58 120.10 3cx5 h ASN 149 Ca 0.09 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.97 3cx5 h ASN 149 Cb 0.62 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 3cx5 h ASN 149 CO 0.04 0.00 0.43 -0.07 -1.65 0.00 0.00 177.43 176.18 3cx5 h LEU 150 N 0.00 0.29 -0.39 1.61 4.07 -0.88 0.23 115.31 120.23 3cx5 h LEU 150 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3cx5 h LEU 150 Cb 0.22 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.91 3cx5 h LEU 150 CO 0.00 0.16 0.00 -0.26 -1.08 0.00 0.00 178.44 177.26 3cx5 h PHE 151 N 0.32 0.00 0.00 1.13 0.04 -1.61 -2.98 116.94 113.83 3cx5 h PHE 151 Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 3cx5 h PHE 151 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 3cx5 h PHE 151 CO -0.00 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.58 3cx5 n SER 152 N -2.34 0.38 0.17 2.17 3.41 0.07 -1.80 113.62 115.67 3cx5 n SER 152 Ca 0.04 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 3cx5 n SER 152 Cb 0.34 -0.68 0.38 0.00 -0.26 0.00 0.00 64.21 63.99 3cx5 n SER 152 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cx5 h ALA 153 N 2.32 1.00 -2.28 7.33 0.00 -1.65 -3.40 119.26 122.58 3cx5 h ALA 153 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3cx5 h ALA 153 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3cx5 h ALA 153 CO 0.00 0.00 1.11 0.42 0.00 0.00 0.00 179.25 180.78 3cx5 s ILE 154 N -3.24 3.50 0.44 0.00 1.01 -0.75 -4.90 121.20 117.26 3cx5 s ILE 154 Ca 0.07 0.60 -0.25 0.00 0.00 0.00 0.00 60.65 61.07 3cx5 s ILE 154 Cb 0.09 -3.39 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 3cx5 s ILE 154 CO 0.58 -0.05 1.36 -0.81 0.00 0.00 0.00 174.94 176.02 3cx5 n PRO 155 N 7.19 2.11 0.00 2.79 -0.04 -1.26 -1.21 135.00 144.58 3cx5 n PRO 155 Ca 0.18 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 3cx5 n PRO 155 Cb 0.42 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 3cx5 n PRO 155 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3cx5 n PHE 156 N -0.20 0.00 0.84 0.54 3.01 -1.26 -4.23 117.46 116.15 3cx5 n PHE 156 Ca 0.06 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.63 3cx5 n PHE 156 Cb 0.41 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.98 3cx5 n PHE 156 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 3cx5 n VAL 157 N 0.00 0.07 -0.11 -4.37 0.24 -1.25 -4.69 118.33 108.21 3cx5 n VAL 157 Ca 0.00 -0.54 -0.08 0.00 -2.04 0.00 0.00 64.34 61.68 3cx5 n VAL 157 Cb 0.00 1.39 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 3cx5 n VAL 157 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3cx5 h GLY 158 N 4.36 -0.29 1.54 7.63 0.00 -1.33 -1.45 103.07 113.53 3cx5 h GLY 158 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3cx5 h GLY 158 CO 0.00 -0.21 0.30 3.43 0.00 0.00 0.00 176.54 180.06 3cx5 h ASN 159 N -0.27 0.54 -0.48 0.19 2.35 -1.82 -2.10 115.58 113.99 3cx5 h ASN 159 Ca 0.17 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 3cx5 h ASN 159 Cb 0.55 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3cx5 h ASN 159 CO -0.54 0.40 -0.20 0.44 -1.65 0.00 0.00 177.43 175.88 3cx5 h ASP 160 N 0.63 1.01 -0.53 5.81 3.45 -1.68 -1.85 116.42 123.27 3cx5 h ASP 160 Ca 0.17 -0.39 -0.02 0.00 0.43 0.00 0.00 57.03 57.22 3cx5 h ASP 160 Cb -0.05 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.41 3cx5 h ASP 160 CO -0.03 1.18 0.27 0.40 -1.57 0.00 0.00 179.24 179.48 3cx5 h ILE 161 N 0.84 1.19 -0.49 0.35 1.08 -0.76 -1.10 117.51 118.63 3cx5 h ILE 161 Ca 0.11 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 64.03 3cx5 h ILE 161 Cb 0.78 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 3cx5 h ILE 161 CO 0.06 0.21 0.21 0.58 -0.69 0.00 0.00 178.15 178.52 3cx5 h VAL 162 N 0.71 1.20 -0.25 1.67 2.07 -1.27 0.18 116.25 120.56 3cx5 h VAL 162 Ca 0.18 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3cx5 h VAL 162 Cb 0.09 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3cx5 h VAL 162 CO -0.03 0.23 -0.02 0.28 0.02 0.00 0.00 177.57 178.06 3cx5 h SER 163 N 0.64 0.36 -0.06 0.57 0.02 -1.17 -0.22 113.55 113.68 3cx5 h SER 163 Ca 0.16 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3cx5 h SER 163 Cb 0.17 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3cx5 h SER 163 CO -0.02 0.44 -0.05 -0.25 -1.14 0.00 0.00 176.83 175.81 3cx5 h TRP 164 N 0.37 0.17 -0.92 3.45 7.01 -0.62 -0.48 115.95 124.93 3cx5 h TRP 164 Ca 0.08 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.04 3cx5 h TRP 164 Cb 0.29 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.26 3cx5 h TRP 164 CO 0.01 0.57 0.61 -0.07 -2.79 0.00 0.00 178.44 176.77 3cx5 h LEU 165 N -0.27 1.05 -0.45 0.65 3.38 -0.62 -2.75 115.31 116.30 3cx5 h LEU 165 Ca 0.01 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 3cx5 h LEU 165 Cb 0.54 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3cx5 h LEU 165 CO 0.01 0.76 -0.50 -0.50 0.09 0.00 0.00 178.44 178.30 3cx5 h TRP 166 N 1.24 0.88 -0.53 1.13 6.55 -1.00 -3.44 115.95 120.79 3cx5 h TRP 166 Ca 0.34 -0.30 -0.09 0.00 0.95 0.00 0.00 58.89 59.79 3cx5 h TRP 166 Cb -0.13 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 27.98 3cx5 h TRP 166 CO -0.01 1.07 -0.11 0.41 -1.05 0.00 0.00 178.44 178.75 3cx5 n GLY 167 N 0.23 0.35 0.00 1.49 0.00 -0.19 -2.85 105.19 104.22 3cx5 n GLY 167 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3cx5 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cx5 n GLY 168 N -1.45 -0.80 0.19 -0.02 0.00 -1.19 -4.80 105.19 97.12 3cx5 n GLY 168 Ca -0.05 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.20 3cx5 n GLY 168 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3cx5 h PHE 169 N 0.00 0.00 -2.82 1.61 0.04 -1.92 -3.44 116.94 110.41 3cx5 h PHE 169 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3cx5 h PHE 169 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 3cx5 h PHE 169 CO 0.00 0.39 0.25 -1.13 -0.60 0.00 0.00 178.31 177.22 3cx5 n SER 170 N -3.64 -1.93 -4.62 2.17 3.41 -1.26 -5.06 113.62 102.68 3cx5 n SER 170 Ca -0.01 -2.32 -0.43 0.00 -0.26 0.00 0.00 58.87 55.85 3cx5 n SER 170 Cb 0.49 3.22 -0.03 0.00 -0.26 0.00 0.00 64.21 67.63 3cx5 n SER 170 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3cx5 s VAL 171 N -2.23 3.33 0.00 -3.33 1.01 -1.26 -4.82 120.40 113.10 3cx5 s VAL 171 Ca 0.14 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3cx5 s VAL 171 Cb -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3cx5 s VAL 171 CO 0.10 -0.18 0.00 -1.54 0.00 0.00 0.00 175.10 173.48 3cx5 n SER 172 N 9.60 0.00 -0.18 3.32 3.41 -1.26 -5.01 113.62 123.49 3cx5 n SER 172 Ca 0.23 -0.36 -0.05 0.00 -0.26 0.00 0.00 58.87 58.44 3cx5 n SER 172 Cb 0.45 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.41 3cx5 n SER 172 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3cx5 h ASN 173 N 0.00 -1.01 -0.98 4.04 -0.73 -1.93 -0.60 115.58 114.38 3cx5 h ASN 173 Ca 0.00 0.21 0.19 0.00 1.87 0.00 0.00 56.30 58.57 3cx5 h ASN 173 Cb 0.00 0.52 -0.11 0.00 0.27 0.00 0.00 38.32 39.00 3cx5 h ASN 173 CO 0.00 -0.29 0.58 -0.65 -0.37 0.00 0.00 177.43 176.70 3cx5 h PRO 174 N -0.15 0.70 0.11 6.67 0.11 -1.87 -1.87 132.00 135.70 3cx5 h PRO 174 Ca 0.23 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 3cx5 h PRO 174 Cb 0.53 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3cx5 h PRO 174 CO -0.63 0.46 -0.05 1.15 -0.21 0.00 0.00 178.00 178.71 3cx5 h THR 175 N 0.72 1.03 -0.62 -1.15 2.02 -0.97 -2.20 112.91 111.75 3cx5 h THR 175 Ca 0.57 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3cx5 h THR 175 Cb 0.89 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 3cx5 h THR 175 CO -0.39 0.14 0.12 0.40 0.37 0.00 0.00 175.52 176.16 3cx5 h ILE 176 N -0.43 1.26 -0.54 3.11 1.08 -1.07 -0.33 117.51 120.59 3cx5 h ILE 176 Ca -0.02 -0.97 -0.07 0.00 -0.39 0.00 0.00 64.86 63.42 3cx5 h ILE 176 Cb 0.35 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 3cx5 h ILE 176 CO 0.03 0.36 0.07 1.56 -0.69 0.00 0.00 178.15 179.48 3cx5 h GLN 177 N 0.92 0.87 0.00 2.37 4.20 -1.38 -1.19 115.11 120.90 3cx5 h GLN 177 Ca 0.19 -0.21 -0.19 0.00 0.06 0.00 0.00 58.65 58.50 3cx5 h GLN 177 Cb 0.39 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3cx5 h GLN 177 CO 0.01 0.82 -0.87 0.07 -0.67 0.00 0.00 178.83 178.19 3cx5 h ARG 178 N 0.82 0.14 -0.60 1.46 0.11 -1.22 -2.70 114.38 112.38 3cx5 h ARG 178 Ca 0.17 -0.15 -0.09 0.00 0.10 0.00 0.00 59.98 60.01 3cx5 h ARG 178 Cb 0.39 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 3cx5 h ARG 178 CO 0.01 0.92 0.03 0.74 0.10 0.00 0.00 179.97 181.77 3cx5 h PHE 179 N 0.07 1.09 -0.37 4.08 -1.00 -0.61 -0.68 116.94 119.53 3cx5 h PHE 179 Ca -0.03 -0.17 -0.06 0.00 2.81 0.00 0.00 57.97 60.52 3cx5 h PHE 179 Cb 1.50 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.75 3cx5 h PHE 179 CO 0.02 0.96 0.00 0.35 -1.61 0.00 0.00 178.31 178.03 3cx5 h PHE 180 N 0.94 0.70 -0.78 -0.55 3.04 -1.22 0.23 116.94 119.29 3cx5 h PHE 180 Ca 0.18 -0.12 0.04 0.00 3.98 0.00 0.00 57.97 62.04 3cx5 h PHE 180 Cb 0.50 -0.18 -0.05 0.00 2.56 0.00 0.00 35.95 38.78 3cx5 h PHE 180 CO 0.03 0.74 0.50 0.00 -2.02 0.00 0.00 178.31 177.56 3cx5 h ALA 181 N 0.87 1.04 -0.11 2.41 0.00 -1.23 -1.64 119.26 120.59 3cx5 h ALA 181 Ca 0.10 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3cx5 h ALA 181 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3cx5 h ALA 181 CO 0.02 0.30 -0.60 -0.07 0.00 0.00 0.00 179.25 178.90 3cx5 h LEU 182 N 0.96 0.42 -1.49 0.00 4.07 -0.95 -2.64 115.31 115.67 3cx5 h LEU 182 Ca 0.32 -0.24 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 3cx5 h LEU 182 Cb 0.03 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 3cx5 h LEU 182 CO -0.12 0.92 -0.21 -0.74 -1.08 0.00 0.00 178.44 177.21 3cx5 h HIS 183 N 0.28 0.07 -0.09 1.13 2.76 0.14 -1.67 115.15 117.77 3cx5 h HIS 183 Ca -0.00 -0.01 -0.22 0.00 -2.20 0.00 0.00 60.37 57.94 3cx5 h HIS 183 Cb 1.12 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 30.07 3cx5 h HIS 183 CO 0.03 0.27 -0.83 -0.92 -1.30 0.00 0.00 177.93 175.18 3cx5 h TYR 184 N 0.06 0.88 0.07 5.26 -0.00 -1.13 -3.37 116.97 118.74 3cx5 h TYR 184 Ca 0.01 -0.42 -0.00 0.00 -0.00 0.00 0.00 58.73 58.32 3cx5 h TYR 184 Cb 0.41 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 37.01 3cx5 h TYR 184 CO 0.00 1.23 -0.03 1.25 -0.00 0.00 0.00 178.16 180.61 3cx5 h LEU 185 N 0.41 -0.08 -0.94 2.82 6.46 -1.09 -3.38 115.31 119.52 3cx5 h LEU 185 Ca -0.06 -0.51 0.18 0.00 -0.12 0.00 0.00 57.88 57.37 3cx5 h LEU 185 Cb 1.46 0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 41.30 3cx5 h LEU 185 CO 0.16 0.52 0.53 0.58 -0.62 0.00 0.00 178.44 179.61 3cx5 h VAL 186 N -0.73 0.68 -0.48 1.05 2.07 -1.48 -0.63 116.25 116.73 3cx5 h VAL 186 Ca -0.01 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.37 3cx5 h VAL 186 Cb 0.59 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3cx5 h VAL 186 CO 0.02 0.12 0.33 -0.65 0.02 0.00 0.00 177.57 177.41 3cx5 h PRO 187 N 0.67 0.25 -0.05 1.57 0.11 -1.74 0.16 132.00 132.97 3cx5 h PRO 187 Ca 0.55 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.49 3cx5 h PRO 187 Cb 0.86 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3cx5 h PRO 187 CO -0.40 0.17 -0.64 0.74 -0.21 0.00 0.00 178.00 177.66 3cx5 h PHE 188 N 0.26 0.25 -0.31 0.65 -1.00 -1.32 -0.69 116.94 114.78 3cx5 h PHE 188 Ca 0.22 -0.10 -0.15 0.00 2.81 0.00 0.00 57.97 60.75 3cx5 h PHE 188 Cb 0.53 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 3cx5 h PHE 188 CO -0.00 0.77 -0.43 0.82 -1.61 0.00 0.00 178.31 177.87 3cx5 h ILE 189 N 0.13 1.29 -0.63 -0.55 2.04 -0.80 -2.45 117.51 116.53 3cx5 h ILE 189 Ca -0.01 -1.61 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 3cx5 h ILE 189 Cb 1.15 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 3cx5 h ILE 189 CO 0.10 0.52 0.29 0.40 0.00 0.00 0.00 178.15 179.46 3cx5 h ILE 190 N 0.62 1.22 -0.80 -0.67 2.04 -0.52 -0.40 117.51 119.01 3cx5 h ILE 190 Ca 0.04 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3cx5 h ILE 190 Cb 0.99 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3cx5 h ILE 190 CO 0.09 0.27 0.51 0.00 0.00 0.00 0.00 178.15 179.02 3cx5 h ALA 191 N 1.12 1.04 -0.39 1.87 0.00 -1.00 0.16 119.26 122.07 3cx5 h ALA 191 Ca 0.22 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3cx5 h ALA 191 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3cx5 h ALA 191 CO -0.02 0.34 -0.15 0.00 0.00 0.00 0.00 179.25 179.42 3cx5 h ALA 192 N 1.33 1.01 -0.07 0.00 0.00 -0.93 -1.81 119.26 118.79 3cx5 h ALA 192 Ca 0.31 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3cx5 h ALA 192 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3cx5 h ALA 192 CO -0.10 0.59 -0.48 0.52 0.00 0.00 0.00 179.25 179.78 3cx5 h MET 193 N 0.65 0.16 -0.50 0.00 2.07 -0.24 -2.13 114.93 114.94 3cx5 h MET 193 Ca 0.11 -0.09 -0.09 0.00 -2.07 0.00 0.00 59.70 57.55 3cx5 h MET 193 Cb 0.62 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.33 3cx5 h MET 193 CO 0.04 0.62 -0.06 0.28 1.07 0.00 0.00 176.91 178.86 3cx5 h VAL 194 N 0.13 1.26 -0.61 -2.22 2.07 -0.28 0.12 116.25 116.72 3cx5 h VAL 194 Ca 0.01 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 3cx5 h VAL 194 Cb 0.91 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3cx5 h VAL 194 CO 0.07 0.40 0.27 0.40 0.02 0.00 0.00 177.57 178.74 3cx5 h ILE 195 N 0.80 1.22 -0.39 4.57 2.04 -0.96 0.61 117.51 125.40 3cx5 h ILE 195 Ca 0.14 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 3cx5 h ILE 195 Cb 0.57 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3cx5 h ILE 195 CO 0.03 0.26 -0.01 0.24 0.00 0.00 0.00 178.15 178.68 3cx5 h MET 196 N 0.84 0.62 -0.05 2.37 2.86 -0.84 -0.54 114.93 120.19 3cx5 h MET 196 Ca 0.21 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3cx5 h MET 196 Cb 0.15 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 3cx5 h MET 196 CO -0.02 0.65 0.02 1.25 1.06 0.00 0.00 176.91 179.86 3cx5 h HIS 197 N 0.59 0.08 -0.52 -0.22 6.17 -0.09 -2.23 115.15 118.93 3cx5 h HIS 197 Ca 0.12 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.14 3cx5 h HIS 197 Cb 0.38 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.27 3cx5 h HIS 197 CO 0.02 0.23 0.12 -0.07 0.71 0.00 0.00 177.93 178.94 3cx5 h LEU 198 N -0.10 0.75 -0.55 0.26 3.38 -0.51 -1.07 115.31 117.46 3cx5 h LEU 198 Ca 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3cx5 h LEU 198 Cb 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3cx5 h LEU 198 CO -0.00 0.74 0.27 0.24 0.09 0.00 0.00 178.44 179.78 3cx5 h MET 199 N 0.77 0.80 -0.49 1.13 2.86 -0.97 -0.11 114.93 118.92 3cx5 h MET 199 Ca 0.17 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 3cx5 h MET 199 Cb 0.30 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3cx5 h MET 199 CO -0.00 0.65 -0.08 0.00 1.06 0.00 0.00 176.91 178.54 3cx5 h ALA 200 N 1.10 0.95 -0.51 6.32 0.00 -0.95 -2.94 119.26 123.23 3cx5 h ALA 200 Ca 0.19 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3cx5 h ALA 200 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3cx5 h ALA 200 CO -0.02 0.62 0.07 1.25 0.00 0.00 0.00 179.25 181.17 3cx5 h LEU 201 N 0.79 0.82 -1.39 0.00 5.85 -0.92 -3.24 115.31 117.22 3cx5 h LEU 201 Ca 0.14 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3cx5 h LEU 201 Cb 0.58 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3cx5 h LEU 201 CO 0.04 0.88 0.41 -0.74 -0.34 0.00 0.00 178.44 178.69 3cx5 h HIS 202 N 0.73 0.78 0.00 1.25 2.76 -0.84 0.47 115.15 120.30 3cx5 h HIS 202 Ca 0.15 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3cx5 h HIS 202 Cb 0.41 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 3cx5 h HIS 202 CO 0.03 0.49 -0.01 -0.84 -1.30 0.00 0.00 177.93 176.30 3cx5 h ILE 203 N 0.84 0.02 0.00 6.26 3.07 -1.57 -3.26 117.51 122.88 3cx5 h ILE 203 Ca 0.23 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 66.10 3cx5 h ILE 203 Cb -0.10 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 3cx5 h ILE 203 CO -0.05 0.01 -0.10 1.41 -1.05 0.00 0.00 178.15 178.37 3cx5 n HIS 204 N -3.10 0.00 -0.59 0.16 8.25 -1.05 -5.13 115.22 113.75 3cx5 n HIS 204 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 3cx5 n HIS 204 Cb 0.31 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 3cx5 n HIS 204 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cx5 n GLY 205 N 1.07 -1.79 3.85 -1.41 0.00 0.16 -4.89 105.19 102.18 3cx5 n GLY 205 Ca 0.00 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 3cx5 n GLY 205 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cx5 s SER 206 N -4.78 5.98 0.39 1.61 0.01 -1.26 -4.86 113.70 110.79 3cx5 s SER 206 Ca 0.00 1.51 0.00 0.00 1.31 0.00 0.00 55.95 58.77 3cx5 s SER 206 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3cx5 s SER 206 CO 0.00 -1.04 0.00 -0.24 0.41 0.00 0.00 173.24 172.37 3cx5 n SER 207 N -2.73 0.00 -4.02 2.44 2.88 -1.26 -4.83 113.62 106.10 3cx5 n SER 207 Ca 0.07 -0.66 -0.10 0.00 -1.33 0.00 0.00 58.87 56.85 3cx5 n SER 207 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 3cx5 n SER 207 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3cx5 s ASN 208 N -1.00 -0.01 0.53 -3.46 4.22 -1.26 -4.84 114.94 109.12 3cx5 s ASN 208 Ca 0.00 -0.98 0.36 0.00 -2.14 0.00 0.00 52.86 50.09 3cx5 s ASN 208 Cb 0.00 0.50 1.84 0.00 1.28 0.00 0.00 41.25 44.87 3cx5 s ASN 208 CO 0.00 -1.00 2.08 1.55 -2.04 0.00 0.00 177.10 177.69 3cx5 h PRO 209 N 2.41 0.00 0.00 3.55 0.13 -1.96 -2.02 132.00 134.11 3cx5 h PRO 209 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3cx5 h PRO 209 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3cx5 h PRO 209 CO 0.43 0.00 -0.38 -0.07 -0.23 0.00 0.00 178.00 177.75 3cx5 h LEU 210 N 0.00 0.00 0.00 1.56 3.38 -1.92 -3.43 115.31 114.90 3cx5 h LEU 210 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3cx5 h LEU 210 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3cx5 h LEU 210 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3cx5 n GLY 211 N 1.21 0.65 3.26 0.83 0.00 -0.76 -4.91 105.19 105.47 3cx5 n GLY 211 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3cx5 n GLY 211 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3cx5 n ILE 212 N -2.44 0.00 -1.84 -0.61 -5.35 -1.26 -4.32 119.36 103.53 3cx5 n ILE 212 Ca 0.00 -1.82 -0.41 0.00 -0.27 0.00 0.00 62.75 60.25 3cx5 n ILE 212 Cb 0.03 -0.20 -0.00 0.00 -1.74 0.00 0.00 39.64 37.73 3cx5 n ILE 212 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3cx5 s THR 213 N -2.27 2.13 -2.01 7.28 -1.32 -1.26 -4.69 115.64 113.49 3cx5 s THR 213 Ca 0.32 0.13 0.19 0.00 -1.21 0.00 0.00 61.69 61.12 3cx5 s THR 213 Cb -0.03 -3.08 0.35 0.00 -1.51 0.00 0.00 72.50 68.23 3cx5 s THR 213 CO 0.20 0.03 1.28 0.61 -2.21 0.00 0.00 174.62 174.54 3cx5 n GLY 214 N 0.56 1.58 0.22 6.08 0.00 -1.26 -4.60 105.19 107.78 3cx5 n GLY 214 Ca 0.01 -0.61 0.16 0.00 0.00 0.00 0.00 46.02 45.58 3cx5 n GLY 214 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3cx5 h ASN 215 N 3.67 0.00 1.24 1.61 2.35 -1.99 -3.11 115.58 119.36 3cx5 h ASN 215 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cx5 h ASN 215 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 3cx5 h ASN 215 CO 0.00 0.00 -0.54 -0.07 -1.65 0.00 0.00 177.43 175.17 3cx5 h LEU 216 N 0.00 0.00 -6.18 1.61 4.07 -2.01 -3.43 115.31 109.37 3cx5 h LEU 216 Ca 0.00 -0.07 -0.30 0.00 0.08 0.00 0.00 57.88 57.59 3cx5 h LEU 216 Cb 0.35 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 41.81 3cx5 h LEU 216 CO 0.00 0.03 -0.64 -0.62 -1.08 0.00 0.00 178.44 176.13 3cx5 s ASP 217 N -5.10 0.40 0.19 -0.43 2.15 -1.17 -5.14 116.67 107.56 3cx5 s ASP 217 Ca 0.05 -1.53 0.07 0.00 0.43 0.00 0.00 52.55 51.56 3cx5 s ASP 217 Cb 0.10 0.90 -0.04 0.00 -0.30 0.00 0.00 42.92 43.58 3cx5 s ASP 217 CO 0.72 -0.22 0.08 -0.13 -0.17 0.00 0.00 175.17 175.45 3cx5 s ARG 218 N 1.37 2.66 0.01 4.34 1.81 -1.26 -2.41 118.95 125.47 3cx5 s ARG 218 Ca 0.19 -1.04 0.02 0.00 -1.72 0.00 0.00 55.73 53.18 3cx5 s ARG 218 Cb -0.11 -2.48 -0.01 0.00 -0.45 0.00 0.00 34.95 31.90 3cx5 s ARG 218 CO -0.05 0.45 -0.07 0.96 -0.68 0.00 0.00 175.30 175.91 3cx5 s ILE 219 N -1.85 0.54 0.52 1.52 -4.36 0.16 -4.87 121.20 112.86 3cx5 s ILE 219 Ca 0.30 -0.59 -0.23 0.00 -0.26 0.00 0.00 60.65 59.87 3cx5 s ILE 219 Cb -0.09 -0.52 -0.06 0.00 1.25 0.00 0.00 42.46 43.05 3cx5 s ILE 219 CO 0.21 -0.05 1.38 -2.84 0.24 0.00 0.00 174.94 173.89 3cx5 s PRO 220 N -0.70 3.28 0.17 0.37 0.02 -1.26 -0.29 135.00 136.59 3cx5 s PRO 220 Ca -0.02 2.30 -0.14 0.00 0.02 0.00 0.00 61.00 63.16 3cx5 s PRO 220 Cb -0.05 -2.37 0.06 0.00 0.02 0.00 0.00 34.50 32.16 3cx5 s PRO 220 CO 0.00 -1.10 1.83 1.98 -0.33 0.00 0.00 177.00 179.38 3cx5 h MET 221 N 1.69 0.66 -6.43 5.54 1.85 -1.19 -3.39 114.93 113.66 3cx5 h MET 221 Ca -0.51 -0.04 -0.54 0.00 -0.61 0.00 0.00 59.70 58.00 3cx5 h MET 221 Cb 1.29 -0.15 0.01 0.00 0.43 0.00 0.00 31.60 33.19 3cx5 h MET 221 CO 0.58 0.44 0.92 -1.58 -0.40 0.00 0.00 176.91 176.87 3cx5 s HIS 222 N -6.15 2.65 0.00 1.39 5.65 0.60 -1.19 115.29 118.23 3cx5 s HIS 222 Ca -0.13 0.55 0.00 0.00 0.25 0.00 0.00 55.06 55.73 3cx5 s HIS 222 Cb 0.12 -3.84 0.00 0.00 -1.18 0.00 0.00 32.58 27.68 3cx5 s HIS 222 CO 0.74 -3.26 0.00 0.43 -0.65 0.00 0.00 174.74 172.00 3cx5 n SER 223 N 5.37 0.00 -0.05 9.88 7.64 -1.26 -4.82 113.62 130.37 3cx5 n SER 223 Ca 0.15 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.96 3cx5 n SER 223 Cb 0.42 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 3cx5 n SER 223 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3cx5 h TYR 224 N 0.00 -0.80 0.00 1.43 -1.99 -1.74 0.23 116.97 114.10 3cx5 h TYR 224 Ca 0.00 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 3cx5 h TYR 224 Cb 0.00 0.37 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 3cx5 h TYR 224 CO 0.00 -0.24 -0.55 0.74 -0.00 0.00 0.00 178.16 178.11 3cx5 h PHE 225 N -0.21 0.00 -0.32 4.88 -1.00 -1.35 -1.65 116.94 117.29 3cx5 h PHE 225 Ca 0.03 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 3cx5 h PHE 225 Cb 0.29 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 3cx5 h PHE 225 CO -0.63 0.09 -0.02 0.82 -1.61 0.00 0.00 178.31 176.96 3cx5 h ILE 226 N 0.00 1.26 0.00 -0.55 1.08 -1.16 0.91 117.51 119.05 3cx5 h ILE 226 Ca -0.01 -0.99 -0.13 0.00 -0.39 0.00 0.00 64.86 63.33 3cx5 h ILE 226 Cb 1.08 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 3cx5 h ILE 226 CO 0.01 0.32 -0.63 -0.26 -0.69 0.00 0.00 178.15 176.90 3cx5 h PHE 227 N 0.37 0.00 -0.27 1.37 -1.00 -0.57 -2.64 116.94 114.20 3cx5 h PHE 227 Ca 0.09 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.69 3cx5 h PHE 227 Cb 0.47 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.03 3cx5 h PHE 227 CO 0.04 0.63 -0.55 -0.22 -1.61 0.00 0.00 178.31 176.60 3cx5 h LYS 228 N 0.00 0.81 -0.19 1.51 3.64 -1.15 -2.91 116.57 118.27 3cx5 h LYS 228 Ca -0.01 -0.52 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 3cx5 h LYS 228 Cb 1.48 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.35 3cx5 h LYS 228 CO 0.08 1.15 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.81 3cx5 h ASP 229 N 0.62 0.31 -0.68 4.20 3.32 -0.79 -2.35 116.42 121.06 3cx5 h ASP 229 Ca 0.01 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3cx5 h ASP 229 Cb 1.15 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 3cx5 h ASP 229 CO 0.12 0.49 0.37 0.25 -1.72 0.00 0.00 179.24 178.76 3cx5 h LEU 230 N 0.30 0.86 -0.26 1.55 5.85 -1.28 -0.62 115.31 121.71 3cx5 h LEU 230 Ca 0.06 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3cx5 h LEU 230 Cb 0.46 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3cx5 h LEU 230 CO 0.03 0.69 -0.04 0.58 -0.34 0.00 0.00 178.44 179.36 3cx5 h VAL 231 N 0.97 0.77 0.00 1.05 2.07 -1.30 -1.41 116.25 118.39 3cx5 h VAL 231 Ca 0.25 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.64 3cx5 h VAL 231 Cb 0.03 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3cx5 h VAL 231 CO -0.04 0.01 -0.56 0.71 0.02 0.00 0.00 177.57 177.70 3cx5 h THR 232 N 0.03 1.18 -0.44 2.57 1.35 -1.52 -2.43 112.91 113.66 3cx5 h THR 232 Ca 0.12 -2.10 -0.00 0.00 -0.55 0.00 0.00 66.41 63.88 3cx5 h THR 232 Cb 0.18 2.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 3cx5 h THR 232 CO -0.24 0.55 0.27 0.58 -0.25 0.00 0.00 175.52 176.43 3cx5 h VAL 233 N 0.00 1.14 -0.17 6.82 2.07 -0.43 0.10 116.25 125.78 3cx5 h VAL 233 Ca -0.01 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 3cx5 h VAL 233 Cb 1.16 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3cx5 h VAL 233 CO 0.07 0.14 -0.50 -0.26 0.02 0.00 0.00 177.57 177.04 3cx5 h PHE 234 N 0.58 0.57 -0.35 1.57 0.05 -1.20 -1.14 116.94 117.02 3cx5 h PHE 234 Ca 0.16 -0.19 -0.05 0.00 3.82 0.00 0.00 57.97 61.71 3cx5 h PHE 234 Cb -0.01 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 3cx5 h PHE 234 CO -0.03 0.87 0.03 1.25 -0.18 0.00 0.00 178.31 180.25 3cx5 h LEU 235 N 0.36 0.58 -0.34 1.54 5.85 -1.09 0.13 115.31 122.34 3cx5 h LEU 235 Ca 0.02 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3cx5 h LEU 235 Cb 1.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3cx5 h LEU 235 CO 0.09 0.72 0.21 0.15 -0.34 0.00 0.00 178.44 179.27 3cx5 h PHE 236 N 0.42 0.40 -0.61 1.25 3.57 -0.70 -1.49 116.94 119.79 3cx5 h PHE 236 Ca 0.10 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3cx5 h PHE 236 Cb 0.40 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 3cx5 h PHE 236 CO 0.03 0.24 0.12 0.52 -2.23 0.00 0.00 178.31 176.99 3cx5 h MET 237 N 0.43 0.96 -0.09 1.11 2.86 -1.03 -0.90 114.93 118.28 3cx5 h MET 237 Ca 0.13 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3cx5 h MET 237 Cb -0.03 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.50 3cx5 h MET 237 CO -0.04 0.87 0.05 1.25 1.06 0.00 0.00 176.91 180.10 3cx5 h LEU 238 N 0.91 0.11 -0.48 1.22 6.46 -0.65 0.92 115.31 123.79 3cx5 h LEU 238 Ca 0.19 -0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.76 3cx5 h LEU 238 Cb 0.36 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3cx5 h LEU 238 CO 0.00 0.15 -0.15 0.40 -0.62 0.00 0.00 178.44 178.23 3cx5 h ILE 239 N 0.05 1.27 -0.71 4.05 2.04 -1.13 -1.92 117.51 121.17 3cx5 h ILE 239 Ca 0.03 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 3cx5 h ILE 239 Cb 0.07 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3cx5 h ILE 239 CO -0.01 0.45 0.28 0.25 0.00 0.00 0.00 178.15 179.12 3cx5 h LEU 240 N 0.81 0.99 -1.10 1.44 5.85 -1.03 -2.39 115.31 119.88 3cx5 h LEU 240 Ca 0.12 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3cx5 h LEU 240 Cb 0.71 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3cx5 h LEU 240 CO 0.05 0.90 0.13 0.00 -0.34 0.00 0.00 178.44 179.18 3cx5 h ALA 241 N 1.13 1.27 -0.68 1.25 0.00 -0.61 0.75 119.26 122.37 3cx5 h ALA 241 Ca 0.24 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3cx5 h ALA 241 Cb 0.22 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3cx5 h ALA 241 CO -0.02 0.51 0.45 -0.07 0.00 0.00 0.00 179.25 180.12 3cx5 h LEU 242 N 0.75 0.76 -0.02 0.00 3.38 -0.85 -0.49 115.31 118.83 3cx5 h LEU 242 Ca 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3cx5 h LEU 242 Cb 0.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3cx5 h LEU 242 CO -0.00 0.55 -0.04 -0.26 0.09 0.00 0.00 178.44 178.77 3cx5 h PHE 243 N 0.90 0.08 -0.80 1.13 -1.00 -1.16 -0.50 116.94 115.60 3cx5 h PHE 243 Ca 0.25 -0.03 0.06 0.00 2.81 0.00 0.00 57.97 61.06 3cx5 h PHE 243 Cb -0.08 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 39.41 3cx5 h PHE 243 CO -0.03 0.63 0.48 0.28 -1.61 0.00 0.00 178.31 178.06 3cx5 h VAL 244 N -0.48 1.02 0.00 -0.55 2.07 -0.70 0.32 116.25 117.93 3cx5 h VAL 244 Ca 0.00 -0.30 -0.31 0.00 0.82 0.00 0.00 66.70 66.90 3cx5 h VAL 244 Cb 0.62 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3cx5 h VAL 244 CO 0.01 0.16 -2.10 0.49 0.02 0.00 0.00 177.57 176.15 3cx5 n PHE 245 N -4.67 0.36 -0.02 1.57 3.01 -0.21 -4.33 117.46 113.18 3cx5 n PHE 245 Ca 0.11 0.13 0.04 0.00 1.01 0.00 0.00 57.45 58.74 3cx5 n PHE 245 Cb 0.17 -1.03 -0.10 0.00 -0.01 0.00 0.00 39.48 38.51 3cx5 n PHE 245 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3cx5 n TYR 246 N -2.82 0.00 -2.89 1.38 4.02 -0.21 -4.80 117.16 111.85 3cx5 n TYR 246 Ca -0.25 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.52 3cx5 n TYR 246 Cb 1.07 -0.35 0.05 0.00 -0.02 0.00 0.00 39.34 40.09 3cx5 n TYR 246 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3cx5 n SER 247 N -2.05 -1.27 0.30 7.72 2.88 -0.53 -5.00 113.62 115.67 3cx5 n SER 247 Ca -0.06 -3.47 0.20 0.00 -1.33 0.00 0.00 58.87 54.22 3cx5 n SER 247 Cb 0.44 1.07 0.99 0.00 -0.75 0.00 0.00 64.21 65.96 3cx5 n SER 247 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3cx5 h PRO 248 N 3.01 0.00 -0.11 -1.46 0.13 -0.61 -3.13 132.00 129.83 3cx5 h PRO 248 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3cx5 h PRO 248 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3cx5 h PRO 248 CO 0.26 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.12 3cx5 n ASN 249 N -3.01 2.12 -0.36 1.44 3.02 -1.26 -4.66 115.26 112.54 3cx5 n ASN 249 Ca -0.02 -1.61 0.02 0.00 -0.03 0.00 0.00 54.58 52.95 3cx5 n ASN 249 Cb 0.15 -0.07 0.16 0.00 -0.61 0.00 0.00 39.78 39.42 3cx5 n ASN 249 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3cx5 h THR 250 N 1.73 1.10 -0.00 3.41 2.02 -1.92 -1.75 112.91 117.49 3cx5 h THR 250 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3cx5 h THR 250 Cb 0.49 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3cx5 h THR 250 CO 0.00 0.21 -0.04 0.18 0.37 0.00 0.00 175.52 176.25 3cx5 n LEU 251 N -4.51 0.35 0.00 2.58 4.77 -1.26 -4.90 117.00 114.03 3cx5 n LEU 251 Ca 0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3cx5 n LEU 251 Cb 0.17 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3cx5 n LEU 251 CO 0.32 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3cx5 n GLY 252 N 1.16 2.54 3.15 -0.72 0.00 -0.66 -4.70 105.19 105.96 3cx5 n GLY 252 Ca 0.19 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 3cx5 n GLY 252 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cx5 s HIS 253 N 0.55 2.51 0.46 1.61 2.46 -1.26 -5.02 115.29 116.60 3cx5 s HIS 253 Ca 0.00 -1.22 0.20 0.00 0.47 0.00 0.00 55.06 54.51 3cx5 s HIS 253 Cb 0.00 -1.72 1.19 0.00 -0.13 0.00 0.00 32.58 31.92 3cx5 s HIS 253 CO 0.00 -0.56 1.93 -1.35 -2.47 0.00 0.00 174.74 172.29 3cx5 h PRO 254 N 7.26 0.25 0.00 2.88 0.11 -1.99 -0.68 132.00 139.83 3cx5 h PRO 254 Ca -0.31 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 3cx5 h PRO 254 Cb 1.19 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3cx5 h PRO 254 CO 0.53 0.17 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.04 3cx5 h ASP 255 N 0.26 0.00 0.00 -2.05 3.32 -1.95 -1.05 116.42 114.95 3cx5 h ASP 255 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3cx5 h ASP 255 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3cx5 h ASP 255 CO -0.08 0.01 0.00 -3.20 -1.72 0.00 0.00 179.24 174.25 3cx5 n ASN 256 N -3.50 0.00 -1.48 6.45 5.15 -0.26 -1.83 115.26 119.79 3cx5 n ASN 256 Ca -0.03 -1.11 0.10 0.00 -0.60 0.00 0.00 54.58 52.94 3cx5 n ASN 256 Cb 0.10 0.00 0.34 0.00 -0.53 0.00 0.00 39.78 39.69 3cx5 n ASN 256 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3cx5 n TYR 257 N -0.86 1.29 -4.67 1.20 4.02 -0.40 -4.48 117.16 113.26 3cx5 n TYR 257 Ca 0.15 -0.58 -0.33 0.00 -0.01 0.00 0.00 57.90 57.14 3cx5 n TYR 257 Cb 0.07 -0.16 -0.16 0.00 -0.02 0.00 0.00 39.34 39.06 3cx5 n TYR 257 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3cx5 s ILE 258 N -1.58 2.15 0.40 -0.72 1.01 -0.76 -5.03 121.20 116.66 3cx5 s ILE 258 Ca 0.50 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 3cx5 s ILE 258 Cb 0.30 -1.86 -0.11 0.00 0.01 0.00 0.00 42.46 40.80 3cx5 s ILE 258 CO 0.27 0.54 1.21 -2.65 0.00 0.00 0.00 174.94 174.31 3cx5 n PRO 259 N 4.05 1.82 -1.66 2.79 -0.02 -1.26 0.64 135.00 141.36 3cx5 n PRO 259 Ca -0.20 0.65 -0.44 0.00 -2.02 0.00 0.00 63.50 61.48 3cx5 n PRO 259 Cb 0.52 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3cx5 n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cx5 n GLY 260 N 0.90 0.53 2.79 -1.23 0.00 -0.52 -4.23 105.19 103.43 3cx5 n GLY 260 Ca 0.07 0.43 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 3cx5 n GLY 260 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cx5 s ASN 261 N -0.00 3.17 0.31 1.61 3.84 -1.26 -4.94 114.94 117.67 3cx5 s ASN 261 Ca 0.64 -0.93 0.21 0.00 0.21 0.00 0.00 52.86 52.99 3cx5 s ASN 261 Cb -0.65 -0.75 1.13 0.00 -0.55 0.00 0.00 41.25 40.43 3cx5 s ASN 261 CO 0.55 -0.29 1.65 -2.65 -2.79 0.00 0.00 177.10 173.56 3cx5 n PRO 262 N 4.95 0.14 -0.00 0.43 -0.02 -1.26 -2.47 135.00 136.77 3cx5 n PRO 262 Ca -0.10 0.62 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 3cx5 n PRO 262 Cb 0.46 -1.94 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 3cx5 n PRO 262 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3cx5 n LEU 263 N -2.24 0.71 -3.83 2.45 4.77 -1.26 -4.93 117.00 112.67 3cx5 n LEU 263 Ca -0.01 -0.37 -0.24 0.00 -0.03 0.00 0.00 56.01 55.37 3cx5 n LEU 263 Cb 0.05 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.97 3cx5 n LEU 263 CO 0.10 0.18 -0.40 -0.69 -1.33 0.00 0.00 177.39 175.25 3cx5 s VAL 264 N -3.08 0.59 -0.31 4.08 1.01 -1.03 -5.10 120.40 116.56 3cx5 s VAL 264 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 3cx5 s VAL 264 Cb 0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3cx5 s VAL 264 CO 0.85 0.29 0.19 -0.89 0.00 0.00 0.00 175.10 175.54 3cx5 s THR 265 N 1.76 5.00 0.42 3.92 2.01 -1.26 -4.68 115.64 122.81 3cx5 s THR 265 Ca 0.03 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.57 3cx5 s THR 265 Cb -0.13 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 3cx5 s THR 265 CO -0.05 0.10 1.42 -2.84 -0.69 0.00 0.00 174.62 172.55 3cx5 s PRO 266 N 1.69 3.85 0.52 4.92 0.02 -1.26 -4.89 135.00 139.85 3cx5 s PRO 266 Ca 0.06 2.40 0.26 0.00 0.02 0.00 0.00 61.00 63.74 3cx5 s PRO 266 Cb -0.17 -2.76 1.44 0.00 0.02 0.00 0.00 34.50 33.03 3cx5 s PRO 266 CO 0.09 -0.68 2.08 0.00 -0.33 0.00 0.00 177.00 178.16 3cx5 h ALA 267 N 2.58 1.36 -0.11 -1.55 0.00 -2.06 -2.39 119.26 117.09 3cx5 h ALA 267 Ca -0.51 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3cx5 h ALA 267 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3cx5 h ALA 267 CO 0.62 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.88 3cx5 n SER 268 N -3.75 0.68 -4.68 0.00 3.41 -1.26 -4.94 113.62 103.08 3cx5 n SER 268 Ca -0.02 -1.83 -0.45 0.00 -0.26 0.00 0.00 58.87 56.31 3cx5 n SER 268 Cb 0.22 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 3cx5 n SER 268 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cx5 n ILE 269 N -0.21 0.01 -3.75 -1.33 3.06 -0.90 -5.00 119.36 111.24 3cx5 n ILE 269 Ca 0.08 -0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.20 3cx5 n ILE 269 Cb 0.13 -1.64 -0.11 0.00 0.54 0.00 0.00 39.64 38.55 3cx5 n ILE 269 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3cx5 s VAL 270 N 1.04 -0.01 0.91 9.51 1.01 -1.26 -5.12 120.40 126.48 3cx5 s VAL 270 Ca 0.78 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 3cx5 s VAL 270 Cb -0.64 -0.47 0.14 0.00 0.00 0.00 0.00 36.38 35.41 3cx5 s VAL 270 CO 0.37 0.01 1.09 -2.84 0.00 0.00 0.00 175.10 173.73 3cx5 s PRO 271 N 0.46 1.15 0.42 2.72 0.02 -1.26 -4.96 135.00 133.56 3cx5 s PRO 271 Ca -0.02 0.86 -0.26 0.00 0.02 0.00 0.00 61.00 61.60 3cx5 s PRO 271 Cb -0.04 -1.79 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 3cx5 s PRO 271 CO -0.02 -2.32 1.37 0.39 -0.33 0.00 0.00 177.00 176.09 3cx5 n GLU 272 N -3.94 2.20 -0.31 5.54 4.71 -1.26 -4.81 120.64 122.77 3cx5 n GLU 272 Ca 0.07 0.78 0.14 0.00 -0.01 0.00 0.00 57.16 58.13 3cx5 n GLU 272 Cb 0.55 -2.53 0.31 0.00 -1.01 0.00 0.00 31.44 28.77 3cx5 n GLU 272 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 177.13 177.33 3cx5 h TRP 273 N 2.35 0.67 0.00 -0.32 5.08 -1.93 -0.87 115.95 120.93 3cx5 h TRP 273 Ca -0.49 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3cx5 h TRP 273 Cb 1.27 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 3cx5 h TRP 273 CO 0.50 -0.04 0.00 2.48 -1.28 0.00 0.00 178.44 180.09 3cx5 n TYR 274 N -5.04 0.07 0.88 0.12 0.18 -1.26 -1.95 117.16 110.16 3cx5 n TYR 274 Ca 0.22 0.03 0.10 0.00 1.88 0.00 0.00 57.90 60.13 3cx5 n TYR 274 Cb 0.66 -0.54 -0.12 0.00 -0.38 0.00 0.00 39.34 38.96 3cx5 n TYR 274 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3cx5 n LEU 275 N -1.56 0.88 -0.25 -3.48 4.77 -0.34 -4.66 117.00 112.36 3cx5 n LEU 275 Ca 0.03 -0.46 0.04 0.00 -0.03 0.00 0.00 56.01 55.59 3cx5 n LEU 275 Cb 0.16 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.41 3cx5 n LEU 275 CO 0.13 0.22 1.01 -0.07 -1.33 0.00 0.00 177.39 177.35 3cx5 h LEU 276 N 0.00 0.27 -0.93 2.23 3.38 -1.29 -0.83 115.31 118.13 3cx5 h LEU 276 Ca 0.00 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3cx5 h LEU 276 Cb 0.52 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3cx5 h LEU 276 CO 0.00 0.12 0.45 -0.65 0.09 0.00 0.00 178.44 178.45 3cx5 h PRO 277 N 0.44 1.21 -0.15 1.13 0.11 -1.80 0.89 132.00 133.83 3cx5 h PRO 277 Ca 0.39 -0.15 -0.17 0.00 0.11 0.00 0.00 66.00 66.17 3cx5 h PRO 277 Cb 0.56 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 3cx5 h PRO 277 CO -0.38 0.90 -0.62 0.74 -0.21 0.00 0.00 178.00 178.42 3cx5 h PHE 278 N 1.21 0.68 -0.66 0.65 -1.00 -1.77 -2.19 116.94 113.86 3cx5 h PHE 278 Ca 0.30 -0.26 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 3cx5 h PHE 278 Cb 0.06 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 3cx5 h PHE 278 CO 0.01 1.01 0.30 -0.92 -1.61 0.00 0.00 178.31 177.10 3cx5 h TYR 279 N 0.39 0.97 -0.73 -0.55 3.20 -0.64 -1.91 116.97 117.70 3cx5 h TYR 279 Ca -0.01 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 3cx5 h TYR 279 Cb 1.18 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 3cx5 h TYR 279 CO 0.05 0.74 0.23 0.00 -1.64 0.00 0.00 178.16 177.54 3cx5 h ALA 280 N 1.13 1.03 -0.45 1.82 0.00 -0.69 -1.09 119.26 121.01 3cx5 h ALA 280 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3cx5 h ALA 280 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3cx5 h ALA 280 CO -0.02 0.65 0.22 0.82 0.00 0.00 0.00 179.25 180.92 3cx5 h ILE 281 N 1.08 1.18 -0.31 0.00 2.04 -1.06 -1.38 117.51 119.06 3cx5 h ILE 281 Ca 0.24 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3cx5 h ILE 281 Cb 0.30 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3cx5 h ILE 281 CO -0.01 0.20 0.17 0.25 0.00 0.00 0.00 178.15 178.76 3cx5 h LEU 282 N 0.59 0.38 -2.24 1.44 6.46 -0.98 -2.64 115.31 118.32 3cx5 h LEU 282 Ca 0.16 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3cx5 h LEU 282 Cb 0.12 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 3cx5 h LEU 282 CO -0.02 0.36 -0.06 0.03 -0.62 0.00 0.00 178.44 178.13 3cx5 h ARG 283 N 0.38 0.00 0.00 1.25 3.08 -0.99 -2.63 114.38 115.48 3cx5 h ARG 283 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3cx5 h ARG 283 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3cx5 h ARG 283 CO -0.02 0.06 0.00 0.77 -1.07 0.00 0.00 179.97 179.71 3cx5 h SER 284 N 0.00 0.00 -3.71 7.04 0.02 -0.87 -3.41 113.55 112.63 3cx5 h SER 284 Ca -0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3cx5 h SER 284 Cb 0.17 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.50 3cx5 h SER 284 CO 0.01 0.00 -0.54 -0.63 -1.14 0.00 0.00 176.83 174.52 3cx5 s ILE 285 N -3.64 4.82 0.00 3.27 -1.09 -0.99 -4.82 121.20 118.76 3cx5 s ILE 285 Ca 0.01 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 3cx5 s ILE 285 Cb 0.09 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 3cx5 s ILE 285 CO 0.47 0.12 1.40 -0.81 -1.23 0.00 0.00 174.94 174.89 3cx5 n PRO 286 N 5.01 0.85 -3.78 2.79 -0.04 -1.26 -4.62 135.00 133.94 3cx5 n PRO 286 Ca -0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 3cx5 n PRO 286 Cb 0.50 -1.08 -0.13 0.00 -0.04 0.00 0.00 33.50 32.75 3cx5 n PRO 286 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3cx5 s ASP 287 N 1.66 -0.17 0.05 3.54 2.15 -1.26 -5.08 116.67 117.55 3cx5 s ASP 287 Ca 0.00 0.35 -0.25 0.00 0.43 0.00 0.00 52.55 53.09 3cx5 s ASP 287 Cb 0.00 0.31 -0.13 0.00 -0.30 0.00 0.00 42.92 42.80 3cx5 s ASP 287 CO 0.00 -0.10 1.37 0.50 -0.17 0.00 0.00 175.17 176.78 3cx5 h LYS 288 N 6.44 -0.78 0.04 4.34 3.64 -1.98 -1.41 116.57 126.86 3cx5 h LYS 288 Ca -0.32 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.12 3cx5 h LYS 288 Cb 1.18 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3cx5 h LYS 288 CO 0.41 -0.52 -0.06 1.25 -2.27 0.00 0.00 179.45 178.26 3cx5 h LEU 289 N -0.81 -0.16 -1.66 5.20 5.85 -1.97 -2.53 115.31 119.23 3cx5 h LEU 289 Ca -0.07 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3cx5 h LEU 289 Cb 0.65 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3cx5 h LEU 289 CO 0.07 -0.09 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.87 3cx5 h LEU 290 N -0.13 0.04 -0.31 2.25 3.38 -1.96 -1.00 115.31 117.58 3cx5 h LEU 290 Ca 0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3cx5 h LEU 290 Cb 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3cx5 h LEU 290 CO -0.03 0.19 -0.03 1.23 0.09 0.00 0.00 178.44 179.88 3cx5 h GLY 291 N 0.49 0.61 0.87 0.83 0.00 -0.96 0.20 103.07 105.11 3cx5 h GLY 291 Ca 0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 3cx5 h GLY 291 CO 0.02 0.43 0.02 -2.08 0.00 0.00 0.00 176.54 174.94 3cx5 h VAL 292 N 0.35 1.24 -0.15 4.60 2.07 -1.05 -1.78 116.25 121.53 3cx5 h VAL 292 Ca 0.08 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3cx5 h VAL 292 Cb 0.50 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3cx5 h VAL 292 CO 0.02 0.27 0.08 0.40 0.02 0.00 0.00 177.57 178.37 3cx5 h ILE 293 N 0.26 1.01 -0.89 4.57 2.04 -1.13 -2.27 117.51 121.10 3cx5 h ILE 293 Ca 0.08 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3cx5 h ILE 293 Cb 0.37 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3cx5 h ILE 293 CO 0.01 0.03 0.55 0.74 0.00 0.00 0.00 178.15 179.48 3cx5 h THR 294 N 0.18 1.24 -0.47 -0.27 2.02 -0.91 -0.51 112.91 114.19 3cx5 h THR 294 Ca 0.06 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3cx5 h THR 294 Cb -0.00 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 3cx5 h THR 294 CO -0.03 0.25 0.20 -0.03 0.37 0.00 0.00 175.52 176.27 3cx5 h MET 295 N 1.22 0.70 -0.15 6.66 1.85 -1.02 -1.30 114.93 122.87 3cx5 h MET 295 Ca 0.32 -0.12 -0.11 0.00 -0.61 0.00 0.00 59.70 59.18 3cx5 h MET 295 Cb -0.08 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.82 3cx5 h MET 295 CO -0.06 0.62 -0.39 0.74 -0.40 0.00 0.00 176.91 177.42 3cx5 h PHE 296 N 0.62 0.40 0.00 1.39 -1.00 -1.16 -2.47 116.94 114.70 3cx5 h PHE 296 Ca 0.16 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 3cx5 h PHE 296 Cb 0.18 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 3cx5 h PHE 296 CO 0.00 0.68 -0.17 0.00 -1.61 0.00 0.00 178.31 177.21 3cx5 h ALA 297 N 1.31 1.51 0.00 2.45 0.00 -0.72 -1.39 119.26 122.42 3cx5 h ALA 297 Ca 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3cx5 h ALA 297 Cb 0.82 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3cx5 h ALA 297 CO 0.07 0.21 -0.15 0.00 0.00 0.00 0.00 179.25 179.38 3cx5 h ALA 298 N 1.83 1.74 0.03 0.00 0.00 -0.75 0.22 119.26 122.33 3cx5 h ALA 298 Ca -0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3cx5 h ALA 298 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3cx5 h ALA 298 CO 0.02 0.19 -0.92 0.82 0.00 0.00 0.00 179.25 179.36 3cx5 h ILE 299 N 0.00 1.22 0.00 0.00 2.04 -1.37 -3.37 117.51 116.03 3cx5 h ILE 299 Ca -0.00 -2.30 -0.02 0.00 1.00 0.00 0.00 64.86 63.55 3cx5 h ILE 299 Cb 0.27 2.72 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3cx5 h ILE 299 CO 0.02 0.52 -0.07 -0.07 0.00 0.00 0.00 178.15 178.54 3cx5 h LEU 300 N -0.79 0.00 -2.49 1.44 3.38 -1.07 -2.37 115.31 113.41 3cx5 h LEU 300 Ca -0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3cx5 h LEU 300 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 3cx5 h LEU 300 CO -0.07 0.07 -0.01 1.62 0.09 0.00 0.00 178.44 180.14 3cx5 h VAL 301 N 0.00 0.08 -0.18 1.22 3.04 -0.73 -1.34 116.25 118.35 3cx5 h VAL 301 Ca -0.00 -0.18 0.05 0.00 -1.01 0.00 0.00 66.70 65.57 3cx5 h VAL 301 Cb 0.25 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 3cx5 h VAL 301 CO 0.01 0.01 0.13 -0.07 -1.01 0.00 0.00 177.57 176.64 3cx5 h LEU 302 N 0.00 0.00 -0.89 3.16 4.07 -1.64 -1.08 115.31 118.93 3cx5 h LEU 302 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3cx5 h LEU 302 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3cx5 h LEU 302 CO 0.00 0.00 0.00 -0.07 -1.08 0.00 0.00 178.44 177.29 3cx5 h LEU 303 N 0.00 0.00 0.00 1.67 3.38 -1.45 -3.08 115.31 115.82 3cx5 h LEU 303 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3cx5 h LEU 303 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3cx5 h LEU 303 CO -0.00 0.00 -0.43 1.33 0.09 0.00 0.00 178.44 179.43 3cx5 n VAL 304 N -2.36 0.14 -0.34 1.22 0.24 -0.41 -4.37 118.33 112.45 3cx5 n VAL 304 Ca 0.02 -0.10 0.06 0.00 -2.04 0.00 0.00 64.34 62.28 3cx5 n VAL 304 Cb 0.22 -0.04 0.25 0.00 -1.47 0.00 0.00 33.84 32.80 3cx5 n VAL 304 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3cx5 h LEU 305 N 0.00 0.91 -2.15 1.34 5.85 -1.68 -0.74 115.31 118.84 3cx5 h LEU 305 Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3cx5 h LEU 305 Cb 0.59 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3cx5 h LEU 305 CO 0.00 0.52 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.92 3cx5 h PRO 306 N 1.00 0.00 0.01 5.25 0.11 -1.82 -2.35 132.00 134.20 3cx5 h PRO 306 Ca 0.46 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.23 3cx5 h PRO 306 Cb 0.40 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.45 3cx5 h PRO 306 CO -0.22 0.06 -2.04 1.19 -0.21 0.00 0.00 178.00 176.78 3cx5 n PHE 307 N -3.41 0.56 0.35 0.65 3.01 -0.42 -4.39 117.46 113.81 3cx5 n PHE 307 Ca -0.02 0.19 0.12 0.00 1.01 0.00 0.00 57.45 58.75 3cx5 n PHE 307 Cb 0.20 -1.10 0.11 0.00 -0.01 0.00 0.00 39.48 38.68 3cx5 n PHE 307 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3cx5 h THR 308 N 0.00 0.00 -2.93 4.37 1.35 -1.08 -3.42 112.91 111.20 3cx5 h THR 308 Ca -0.42 -0.75 -0.56 0.00 -0.55 0.00 0.00 66.41 64.14 3cx5 h THR 308 Cb 2.11 1.36 -0.08 0.00 -1.73 0.00 0.00 68.15 69.80 3cx5 h THR 308 CO 0.05 0.00 0.96 -0.62 -0.25 0.00 0.00 175.52 175.66 3cx5 s ASP 309 N -4.90 6.35 0.00 5.36 2.15 -0.90 -2.82 116.67 121.90 3cx5 s ASP 309 Ca 0.04 -0.13 0.27 0.00 0.43 0.00 0.00 52.55 53.17 3cx5 s ASP 309 Cb 0.11 -2.54 0.93 0.00 -0.30 0.00 0.00 42.92 41.12 3cx5 s ASP 309 CO 0.74 -1.57 1.67 0.54 -0.17 0.00 0.00 175.17 176.38 3cx5 n ARG 310 N 8.63 1.09 -1.73 4.34 5.12 -1.26 -4.96 116.66 127.90 3cx5 n ARG 310 Ca 0.06 -0.61 -0.37 0.00 -1.93 0.00 0.00 57.85 55.00 3cx5 n ARG 310 Cb 0.49 -1.49 0.06 0.00 -1.16 0.00 0.00 32.46 30.36 3cx5 n ARG 310 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3cx5 n SER 311 N -0.42 2.13 0.01 0.55 2.88 -1.26 -4.82 113.62 112.69 3cx5 n SER 311 Ca 0.15 0.86 0.12 0.00 -1.33 0.00 0.00 58.87 58.67 3cx5 n SER 311 Cb 0.34 -1.55 0.25 0.00 -0.75 0.00 0.00 64.21 62.49 3cx5 n SER 311 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3cx5 n VAL 312 N -1.73 0.09 -4.70 2.46 3.14 -1.26 -4.84 118.33 111.49 3cx5 n VAL 312 Ca 0.15 -0.07 -0.30 0.00 -2.96 0.00 0.00 64.34 61.16 3cx5 n VAL 312 Cb 0.47 0.12 -0.14 0.00 -1.06 0.00 0.00 33.84 33.23 3cx5 n VAL 312 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3cx5 s VAL 313 N -3.05 2.20 -0.17 1.55 -7.23 -1.26 -5.11 120.40 107.32 3cx5 s VAL 313 Ca 0.10 -1.54 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 3cx5 s VAL 313 Cb 0.17 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 3cx5 s VAL 313 CO 0.70 0.25 0.77 -0.60 -0.31 0.00 0.00 175.10 175.91 3cx5 s ARG 314 N -1.58 4.28 0.00 4.82 3.52 -1.26 -4.95 118.95 123.78 3cx5 s ARG 314 Ca 0.13 0.90 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 3cx5 s ARG 314 Cb -0.10 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 3cx5 s ARG 314 CO 0.04 -0.29 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 3cx5 n GLY 315 N 3.54 0.58 0.37 8.12 0.00 -1.23 -4.21 105.19 112.37 3cx5 n GLY 315 Ca 0.03 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.34 3cx5 n GLY 315 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cx5 n ASN 316 N -0.66 1.67 -0.33 1.61 3.02 -0.00 -4.62 115.26 115.95 3cx5 n ASN 316 Ca 0.00 -1.30 0.19 0.00 -0.03 0.00 0.00 54.58 53.45 3cx5 n ASN 316 Cb 0.00 0.47 0.40 0.00 -0.61 0.00 0.00 39.78 40.05 3cx5 n ASN 316 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3cx5 h THR 317 N 1.83 0.40 -0.36 3.41 2.02 -1.83 -1.75 112.91 116.62 3cx5 h THR 317 Ca 0.00 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3cx5 h THR 317 Cb 0.67 -0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 3cx5 h THR 317 CO 0.00 0.07 0.03 0.49 0.37 0.00 0.00 175.52 176.48 3cx5 n PHE 318 N -5.02 1.22 -4.01 3.16 3.01 -1.26 -4.92 117.46 109.65 3cx5 n PHE 318 Ca 0.28 -1.18 -0.31 0.00 1.01 0.00 0.00 57.45 57.24 3cx5 n PHE 318 Cb 0.83 -0.43 -0.15 0.00 -0.01 0.00 0.00 39.48 39.72 3cx5 n PHE 318 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3cx5 s LYS 319 N -3.00 1.65 0.10 -1.08 1.02 -0.66 -5.02 119.74 112.75 3cx5 s LYS 319 Ca 0.45 -1.59 -0.32 0.00 0.02 0.00 0.00 55.97 54.52 3cx5 s LYS 319 Cb 0.38 -2.98 -0.13 0.00 -0.52 0.00 0.00 37.83 34.58 3cx5 s LYS 319 CO 0.06 -0.81 1.59 0.28 -0.92 0.00 0.00 175.35 175.56 3cx5 h VAL 320 N 6.65 0.17 -0.57 3.17 2.07 -1.91 -0.70 116.25 125.13 3cx5 h VAL 320 Ca -0.10 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3cx5 h VAL 320 Cb 1.03 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3cx5 h VAL 320 CO 0.49 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 178.16 3cx5 h LEU 321 N -0.77 0.86 -0.79 2.57 3.38 -1.97 -2.44 115.31 116.15 3cx5 h LEU 321 Ca -0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3cx5 h LEU 321 Cb 0.72 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3cx5 h LEU 321 CO -0.13 0.86 0.35 0.28 0.09 0.00 0.00 178.44 179.89 3cx5 h SER 322 N 0.81 1.06 -0.49 -0.43 0.02 -1.90 -1.49 113.55 111.14 3cx5 h SER 322 Ca 0.18 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3cx5 h SER 322 Cb 0.33 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3cx5 h SER 322 CO 0.00 0.92 0.26 0.11 -1.14 0.00 0.00 176.83 176.98 3cx5 h LYS 323 N 1.13 0.68 0.07 3.45 1.57 -0.98 -0.28 116.57 122.21 3cx5 h LYS 323 Ca 0.27 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3cx5 h LYS 323 Cb 0.17 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3cx5 h LYS 323 CO -0.03 0.55 -0.03 0.35 -0.57 0.00 0.00 179.45 179.72 3cx5 h PHE 324 N 0.64 -0.08 0.00 -1.35 3.04 -1.15 -2.64 116.94 115.40 3cx5 h PHE 324 Ca 0.17 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.08 3cx5 h PHE 324 Cb 0.07 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 3cx5 h PHE 324 CO -0.02 -0.04 -0.20 0.74 -2.02 0.00 0.00 178.31 176.77 3cx5 h PHE 325 N -0.10 0.00 -0.40 0.41 -1.00 -1.14 -1.94 116.94 112.77 3cx5 h PHE 325 Ca -0.01 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 3cx5 h PHE 325 Cb 0.08 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 3cx5 h PHE 325 CO -0.07 0.20 0.06 0.35 -1.61 0.00 0.00 178.31 177.24 3cx5 h PHE 326 N 0.00 0.72 0.00 -0.55 3.57 -0.75 -0.39 116.94 119.54 3cx5 h PHE 326 Ca -0.00 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.32 3cx5 h PHE 326 Cb 0.61 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3cx5 h PHE 326 CO 0.00 0.71 -0.37 0.74 -2.23 0.00 0.00 178.31 177.16 3cx5 h PHE 327 N 0.52 0.00 -0.33 0.41 -1.00 -1.15 -0.12 116.94 115.27 3cx5 h PHE 327 Ca 0.12 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.86 3cx5 h PHE 327 Cb 0.38 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 3cx5 h PHE 327 CO 0.03 0.37 0.04 0.82 -1.61 0.00 0.00 178.31 177.96 3cx5 h ILE 328 N 0.00 1.24 -0.44 -0.55 1.08 -0.97 -1.57 117.51 116.30 3cx5 h ILE 328 Ca -0.00 -0.85 -0.01 0.00 -0.39 0.00 0.00 64.86 63.60 3cx5 h ILE 328 Cb 0.86 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 3cx5 h ILE 328 CO 0.05 0.28 0.22 0.15 -0.69 0.00 0.00 178.15 178.16 3cx5 h PHE 329 N 0.37 0.63 0.07 1.37 3.57 -0.49 -0.51 116.94 121.94 3cx5 h PHE 329 Ca 0.10 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3cx5 h PHE 329 Cb 0.37 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3cx5 h PHE 329 CO 0.03 0.50 -0.09 0.28 -2.23 0.00 0.00 178.31 176.80 3cx5 h VAL 330 N 0.57 0.80 0.00 1.41 2.07 -0.83 -1.44 116.25 118.83 3cx5 h VAL 330 Ca 0.15 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 3cx5 h VAL 330 Cb 0.10 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3cx5 h VAL 330 CO -0.02 0.00 -0.28 -0.26 0.02 0.00 0.00 177.57 177.03 3cx5 h PHE 331 N -0.19 0.00 -0.23 1.57 -1.00 -1.22 -1.94 116.94 113.92 3cx5 h PHE 331 Ca 0.01 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.69 3cx5 h PHE 331 Cb 0.19 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 3cx5 h PHE 331 CO -0.12 0.28 -0.29 -0.97 -1.61 0.00 0.00 178.31 175.60 3cx5 h ASN 332 N 0.00 0.47 -0.30 2.17 -0.73 -0.76 0.20 115.58 116.63 3cx5 h ASN 332 Ca -0.00 -0.17 -0.11 0.00 1.87 0.00 0.00 56.30 57.88 3cx5 h ASN 332 Cb 0.71 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 3cx5 h ASN 332 CO 0.04 0.75 -0.26 0.15 -0.37 0.00 0.00 177.43 177.74 3cx5 h PHE 333 N 0.41 0.84 -0.72 0.67 3.04 -0.53 -0.80 116.94 119.86 3cx5 h PHE 333 Ca 0.05 -0.24 -0.06 0.00 3.98 0.00 0.00 57.97 61.70 3cx5 h PHE 333 Cb 0.72 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 3cx5 h PHE 333 CO 0.02 0.98 0.21 0.28 -2.02 0.00 0.00 178.31 177.79 3cx5 h VAL 334 N 0.46 1.26 -0.48 1.41 2.07 -1.17 -1.93 116.25 117.88 3cx5 h VAL 334 Ca 0.05 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3cx5 h VAL 334 Cb 0.82 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3cx5 h VAL 334 CO 0.07 0.36 0.22 0.25 0.02 0.00 0.00 177.57 178.48 3cx5 h LEU 335 N 1.06 0.63 -0.86 2.57 7.12 -0.82 -0.22 115.31 124.80 3cx5 h LEU 335 Ca 0.23 -0.14 0.09 0.00 0.13 0.00 0.00 57.88 58.19 3cx5 h LEU 335 Cb 0.32 -0.16 -0.07 0.00 -0.53 0.00 0.00 40.66 40.21 3cx5 h LEU 335 CO -0.01 0.60 0.51 0.25 -0.13 0.00 0.00 178.44 179.66 3cx5 h LEU 336 N 0.63 0.74 -0.61 2.25 5.85 -0.84 0.26 115.31 123.58 3cx5 h LEU 336 Ca 0.16 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 3cx5 h LEU 336 Cb 0.14 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3cx5 h LEU 336 CO -0.02 0.42 0.07 1.23 -0.34 0.00 0.00 178.44 179.81 3cx5 h GLY 337 N 0.85 1.11 1.03 3.75 0.00 -0.56 -1.18 103.07 108.07 3cx5 h GLY 337 Ca 0.41 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3cx5 h GLY 337 CO -0.24 0.70 0.09 -1.61 0.00 0.00 0.00 176.54 175.48 3cx5 h GLN 338 N 0.93 0.98 -0.88 4.80 5.75 0.32 -2.56 115.11 124.45 3cx5 h GLN 338 Ca 0.18 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3cx5 h GLN 338 Cb 0.46 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 3cx5 h GLN 338 CO 0.02 0.93 0.45 0.82 -2.65 0.00 0.00 178.83 178.40 3cx5 h ILE 339 N 0.87 1.26 -0.22 2.39 1.08 -0.32 -2.16 117.51 120.41 3cx5 h ILE 339 Ca 0.18 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 3cx5 h ILE 339 Cb 0.43 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3cx5 h ILE 339 CO 0.01 0.31 0.11 1.23 -0.69 0.00 0.00 178.15 179.12 3cx5 h GLY 340 N 1.25 0.32 1.42 5.37 0.00 -0.88 -0.69 103.07 109.86 3cx5 h GLY 340 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3cx5 h GLY 340 CO -0.04 0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.62 3cx5 n ALA 341 N -2.50 2.52 -2.56 3.60 0.00 -0.83 -4.84 120.51 115.90 3cx5 n ALA 341 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 3cx5 n ALA 341 Cb 0.10 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 3cx5 n ALA 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cx5 s HIS 343 N -2.17 3.24 -1.18 0.00 3.76 -1.26 -4.92 115.29 112.76 3cx5 s HIS 343 Ca 0.42 1.40 -0.21 0.00 -0.15 0.00 0.00 55.06 56.52 3cx5 s HIS 343 Cb -0.09 -2.85 0.02 0.00 1.11 0.00 0.00 32.58 30.77 3cx5 s HIS 343 CO 0.30 -1.05 1.75 0.08 -0.85 0.00 0.00 174.74 174.96 3cx5 s VAL 344 N -3.00 3.88 0.13 -0.90 1.01 -1.26 -4.84 120.40 115.42 3cx5 s VAL 344 Ca 0.58 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3cx5 s VAL 344 Cb -0.13 -4.91 -0.03 0.00 0.00 0.00 0.00 36.38 31.30 3cx5 s VAL 344 CO 0.52 -1.66 0.09 -1.61 0.00 0.00 0.00 175.10 172.44 3cx5 s GLU 345 N 5.17 0.95 0.26 2.72 2.02 -1.26 -4.98 118.70 123.58 3cx5 s GLU 345 Ca 0.57 -1.37 -0.29 0.00 0.02 0.00 0.00 54.97 53.90 3cx5 s GLU 345 Cb 0.01 0.27 -0.09 0.00 0.10 0.00 0.00 34.13 34.41 3cx5 s GLU 345 CO 0.05 -0.28 1.14 0.08 0.02 0.00 0.00 175.26 176.26 3cx5 s VAL 346 N -4.02 3.45 -0.87 2.63 1.01 -1.26 -0.19 120.40 121.14 3cx5 s VAL 346 Ca 0.22 1.40 0.17 0.00 0.00 0.00 0.00 61.98 63.77 3cx5 s VAL 346 Cb 0.07 -3.89 0.75 0.00 0.00 0.00 0.00 36.38 33.31 3cx5 s VAL 346 CO 0.01 0.31 1.67 -0.81 0.00 0.00 0.00 175.10 176.28 3cx5 n PRO 347 N 1.44 4.08 0.13 2.72 -0.04 -1.26 -4.93 135.00 137.15 3cx5 n PRO 347 Ca 0.00 -2.98 0.04 0.00 -0.04 0.00 0.00 63.50 60.52 3cx5 n PRO 347 Cb 0.45 -2.01 0.47 0.00 -0.04 0.00 0.00 33.50 32.37 3cx5 n PRO 347 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3cx5 h TYR 348 N 4.06 0.23 0.07 0.54 0.99 -0.91 -2.20 116.97 119.76 3cx5 h TYR 348 Ca 0.00 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 3cx5 h TYR 348 Cb 1.61 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 39.27 3cx5 h TYR 348 CO 0.87 0.25 -0.03 0.28 -0.00 0.00 0.00 178.16 179.52 3cx5 h VAL 349 N 0.23 1.03 -0.45 -2.88 2.07 -1.76 -0.08 116.25 114.41 3cx5 h VAL 349 Ca 0.06 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3cx5 h VAL 349 Cb 0.17 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3cx5 h VAL 349 CO 0.00 0.08 0.10 0.25 0.02 0.00 0.00 177.57 178.03 3cx5 h LEU 350 N -0.23 0.68 -0.62 2.57 6.46 -1.83 -1.60 115.31 120.73 3cx5 h LEU 350 Ca -0.01 -0.24 0.05 0.00 -0.12 0.00 0.00 57.88 57.56 3cx5 h LEU 350 Cb 0.20 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 3cx5 h LEU 350 CO 0.02 0.74 0.35 0.24 -0.62 0.00 0.00 178.44 179.17 3cx5 h MET 351 N 0.59 0.65 -0.72 1.25 2.86 -1.31 -0.69 114.93 117.56 3cx5 h MET 351 Ca 0.14 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3cx5 h MET 351 Cb 0.33 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3cx5 h MET 351 CO 0.00 0.43 0.26 0.78 1.06 0.00 0.00 176.91 179.44 3cx5 h GLY 352 N 0.67 1.18 1.28 8.32 0.00 -0.72 0.15 103.07 113.95 3cx5 h GLY 352 Ca 0.27 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 3cx5 h GLY 352 CO -0.15 0.62 -0.16 1.46 0.00 0.00 0.00 176.54 178.31 3cx5 h GLN 353 N 1.06 0.83 -0.18 4.80 4.20 -0.68 -0.40 115.11 124.74 3cx5 h GLN 353 Ca 0.24 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 3cx5 h GLN 353 Cb 0.25 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3cx5 h GLN 353 CO -0.01 0.94 -0.28 0.82 -0.67 0.00 0.00 178.83 179.62 3cx5 h ILE 354 N 0.74 1.34 -0.16 2.54 2.04 -0.80 -1.84 117.51 121.37 3cx5 h ILE 354 Ca 0.11 -1.50 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 3cx5 h ILE 354 Cb 0.68 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3cx5 h ILE 354 CO 0.05 0.46 -0.08 0.00 0.00 0.00 0.00 178.15 178.58 3cx5 h ALA 355 N 0.60 1.57 -0.27 1.87 0.00 -0.91 -0.11 119.26 122.00 3cx5 h ALA 355 Ca 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3cx5 h ALA 355 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3cx5 h ALA 355 CO 0.06 0.31 -0.09 1.15 0.00 0.00 0.00 179.25 180.69 3cx5 h THR 356 N 0.24 1.29 -0.55 0.00 2.02 -0.92 -0.85 112.91 114.14 3cx5 h THR 356 Ca 0.05 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 3cx5 h THR 356 Cb 0.30 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3cx5 h THR 356 CO 0.01 0.36 0.33 0.15 0.37 0.00 0.00 175.52 176.75 3cx5 h PHE 357 N 0.29 0.72 -0.83 3.16 3.57 -0.80 -2.46 116.94 120.59 3cx5 h PHE 357 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3cx5 h PHE 357 Cb 0.58 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 3cx5 h PHE 357 CO 0.06 0.49 0.48 0.82 -2.23 0.00 0.00 178.31 177.93 3cx5 h ILE 358 N 0.74 1.24 -0.04 1.41 2.04 -0.86 0.18 117.51 122.21 3cx5 h ILE 358 Ca 0.20 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.52 3cx5 h ILE 358 Cb -0.02 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3cx5 h ILE 358 CO -0.04 0.26 -0.08 0.22 0.00 0.00 0.00 178.15 178.51 3cx5 h TYR 359 N 1.16 -0.20 -0.16 1.37 3.20 -0.70 -1.37 116.97 120.27 3cx5 h TYR 359 Ca 0.30 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.98 3cx5 h TYR 359 Cb -0.01 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3cx5 h TYR 359 CO 0.01 -0.12 -0.70 0.74 -1.64 0.00 0.00 178.16 176.44 3cx5 h PHE 360 N -0.12 0.90 -0.60 -3.82 -1.00 -1.24 -3.19 116.94 107.87 3cx5 h PHE 360 Ca 0.05 -0.37 0.05 0.00 2.81 0.00 0.00 57.97 60.50 3cx5 h PHE 360 Cb 0.18 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 3cx5 h PHE 360 CO -0.17 1.17 0.40 0.00 -1.61 0.00 0.00 178.31 178.11 3cx5 h ALA 361 N 0.73 1.76 -0.18 2.45 0.00 -0.42 -1.66 119.26 121.93 3cx5 h ALA 361 Ca -0.03 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3cx5 h ALA 361 Cb 1.30 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3cx5 h ALA 361 CO 0.14 0.15 -0.13 -0.92 0.00 0.00 0.00 179.25 178.49 3cx5 h TYR 362 N 0.63 -0.32 -0.10 0.00 3.20 -1.23 0.58 116.97 119.73 3cx5 h TYR 362 Ca 0.25 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.95 3cx5 h TYR 362 Cb 0.20 0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.65 3cx5 h TYR 362 CO -0.00 -0.20 -0.71 0.74 -1.64 0.00 0.00 178.16 176.36 3cx5 h PHE 363 N -0.13 0.90 0.00 -3.82 -1.00 -1.58 0.24 116.94 111.55 3cx5 h PHE 363 Ca 0.11 -0.42 -0.11 0.00 2.81 0.00 0.00 57.97 60.36 3cx5 h PHE 363 Cb 0.30 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 3cx5 h PHE 363 CO -0.28 1.23 -1.22 -0.07 -1.61 0.00 0.00 178.31 176.37 3cx5 h LEU 364 N 0.30 0.00 0.00 1.54 3.38 -1.22 -3.42 115.31 115.90 3cx5 h LEU 364 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3cx5 h LEU 364 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3cx5 h LEU 364 CO 0.14 0.39 -0.25 -0.38 0.09 0.00 0.00 178.44 178.43 3cx5 n ILE 365 N -2.85 0.53 0.02 1.22 5.41 0.17 -4.78 119.36 119.08 3cx5 n ILE 365 Ca -0.06 0.17 -0.11 0.00 1.00 0.00 0.00 62.75 63.76 3cx5 n ILE 365 Cb 0.74 -1.22 -0.06 0.00 -0.71 0.00 0.00 39.64 38.40 3cx5 n ILE 365 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3cx5 h ILE 366 N 0.00 0.93 0.25 1.39 2.04 -0.55 -1.92 117.51 119.64 3cx5 h ILE 366 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3cx5 h ILE 366 Cb 0.25 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3cx5 h ILE 366 CO 0.00 0.00 -0.13 0.58 0.00 0.00 0.00 178.15 178.60 3cx5 h VAL 367 N -0.02 0.73 -0.75 1.67 2.07 -1.15 -0.18 116.25 118.62 3cx5 h VAL 367 Ca 0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3cx5 h VAL 367 Cb 0.06 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3cx5 h VAL 367 CO -0.06 0.00 0.27 1.55 0.02 0.00 0.00 177.57 179.35 3cx5 h PRO 368 N -0.35 1.14 0.17 1.57 0.13 -1.52 -0.10 132.00 133.04 3cx5 h PRO 368 Ca -0.03 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3cx5 h PRO 368 Cb 0.28 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.23 3cx5 h PRO 368 CO 0.04 0.95 -0.08 0.28 -0.23 0.00 0.00 178.00 178.97 3cx5 h VAL 369 N 1.10 0.96 -0.57 1.56 2.07 -1.30 -2.39 116.25 117.68 3cx5 h VAL 369 Ca 0.25 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3cx5 h VAL 369 Cb 0.26 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3cx5 h VAL 369 CO -0.01 0.15 0.27 0.40 0.02 0.00 0.00 177.57 178.40 3cx5 h ILE 370 N -0.56 1.21 -0.36 4.57 1.08 -1.03 -1.62 117.51 120.80 3cx5 h ILE 370 Ca -0.02 -0.59 -0.04 0.00 -0.39 0.00 0.00 64.86 63.81 3cx5 h ILE 370 Cb 0.42 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 3cx5 h ILE 370 CO 0.04 0.24 0.06 0.77 -0.69 0.00 0.00 178.15 178.56 3cx5 h SER 371 N 0.77 0.49 -0.11 1.72 4.64 -1.05 -0.44 113.55 119.59 3cx5 h SER 371 Ca 0.20 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3cx5 h SER 371 Cb 0.13 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3cx5 h SER 371 CO -0.02 0.52 -0.07 0.74 -0.87 0.00 0.00 176.83 177.13 3cx5 h THR 372 N 0.52 1.33 -0.30 2.95 2.02 -1.13 -1.96 112.91 116.34 3cx5 h THR 372 Ca 0.12 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.22 3cx5 h THR 372 Cb 0.25 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 3cx5 h THR 372 CO 0.00 0.32 0.03 0.40 0.37 0.00 0.00 175.52 176.65 3cx5 h ILE 373 N -0.14 0.82 -0.73 3.11 2.04 -0.99 -2.28 117.51 119.34 3cx5 h ILE 373 Ca 0.02 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3cx5 h ILE 373 Cb 0.54 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3cx5 h ILE 373 CO 0.02 0.02 0.46 -0.33 0.00 0.00 0.00 178.15 178.33 3cx5 h GLU 374 N 0.13 0.98 -0.35 2.37 5.08 -1.04 0.18 114.58 121.94 3cx5 h GLU 374 Ca 0.14 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3cx5 h GLU 374 Cb 0.17 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3cx5 h GLU 374 CO -0.21 0.67 0.18 -0.91 -1.00 0.00 0.00 179.01 177.73 3cx5 h ASN 375 N 1.00 0.27 -0.63 1.42 2.35 -0.79 -0.61 115.58 118.59 3cx5 h ASN 375 Ca 0.27 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.94 3cx5 h ASN 375 Cb -0.08 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3cx5 h ASN 375 CO -0.05 0.20 0.03 0.58 -1.65 0.00 0.00 177.43 176.54 3cx5 h VAL 376 N 0.37 1.27 -0.60 2.81 2.07 -1.02 -2.45 116.25 118.69 3cx5 h VAL 376 Ca 0.14 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 3cx5 h VAL 376 Cb 0.05 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3cx5 h VAL 376 CO -0.09 0.41 0.36 -0.07 0.02 0.00 0.00 177.57 178.20 3cx5 h LEU 377 N 0.99 0.72 -1.37 2.57 4.07 -0.60 -0.39 115.31 121.30 3cx5 h LEU 377 Ca 0.18 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 3cx5 h LEU 377 Cb 0.53 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 3cx5 h LEU 377 CO 0.03 0.56 0.06 -0.26 -1.08 0.00 0.00 178.44 177.75 3cx5 h PHE 378 N 0.81 0.49 0.26 1.13 0.04 -0.99 -1.68 116.94 117.01 3cx5 h PHE 378 Ca 0.22 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 3cx5 h PHE 378 Cb -0.02 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 37.98 3cx5 h PHE 378 CO -0.02 0.45 -0.13 -0.92 -0.60 0.00 0.00 178.31 177.09 3cx5 h TYR 379 N 0.48 -0.33 0.00 -0.55 3.20 -0.86 -3.34 116.97 115.58 3cx5 h TYR 379 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3cx5 h TYR 379 Cb 0.22 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3cx5 h TYR 379 CO 0.01 -0.02 0.00 0.44 -1.64 0.00 0.00 178.16 176.95 3cx5 n ILE 380 N -5.02 0.76 1.74 1.81 -5.35 -0.24 -2.04 119.36 111.04 3cx5 n ILE 380 Ca -0.07 0.15 0.15 0.00 -0.27 0.00 0.00 62.75 62.71 3cx5 n ILE 380 Cb 0.23 -0.95 0.80 0.00 -1.74 0.00 0.00 39.64 37.99 3cx5 n ILE 380 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cx5 n GLY 381 N 0.34 -0.87 1.92 3.28 0.00 -0.64 -4.41 105.19 104.82 3cx5 n GLY 381 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3cx5 n GLY 381 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cx5 n ARG 382 N -0.84 0.00 -2.09 1.61 1.85 -1.19 -5.08 116.66 110.92 3cx5 n ARG 382 Ca 0.20 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.67 3cx5 n ARG 382 Cb 0.20 -0.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.57 3cx5 n ARG 382 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3cx5 s VAL 383 N -2.00 2.72 -0.14 8.89 1.01 -0.86 -5.04 120.40 124.98 3cx5 s VAL 383 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 3cx5 s VAL 383 Cb 0.00 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.13 3cx5 s VAL 383 CO 0.00 0.02 0.34 0.54 0.00 0.00 0.00 175.10 176.00 3cx5 s ASN 384 N -1.10 -0.40 0.00 3.32 4.22 -1.26 -4.72 114.94 114.99 3cx5 s ASN 384 Ca 0.64 0.73 0.00 0.00 -2.14 0.00 0.00 52.86 52.09 3cx5 s ASN 384 Cb -0.34 0.64 0.00 0.00 1.28 0.00 0.00 41.25 42.83 3cx5 s ASN 384 CO 0.41 -0.17 0.00 1.17 -2.04 0.00 0.00 177.10 176.47