#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s SER 32 N 0.00 6.76 0.30 3.14 0.15 -1.26 -4.90 113.70 117.89 3cx5 s SER 32 Ca 0.00 2.55 0.25 0.00 0.70 0.00 0.00 55.95 59.45 3cx5 s SER 32 Cb 0.00 -2.62 1.07 0.00 -1.71 0.00 0.00 66.02 62.76 3cx5 s SER 32 CO 0.00 -0.63 1.75 0.71 1.20 0.00 0.00 173.24 176.27 3cx5 h THR 33 N 3.64 0.00 0.00 6.45 1.35 -2.09 -2.05 112.91 120.21 3cx5 h THR 33 Ca -0.45 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3cx5 h THR 33 Cb 1.22 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3cx5 h THR 33 CO 0.78 0.00 0.00 1.88 -0.25 0.00 0.00 175.52 177.93 3cx5 h TYR 34 N 0.00 0.00 -2.86 4.73 0.05 -2.08 -3.39 116.97 113.43 3cx5 h TYR 34 Ca 0.00 0.00 -0.73 0.00 0.05 0.00 0.00 58.73 58.05 3cx5 h TYR 34 Cb 0.34 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 37.87 3cx5 h TYR 34 CO 0.00 0.00 0.66 1.03 -1.05 0.00 0.00 178.16 178.80 3cx5 s ARG 35 N -3.20 3.69 0.31 4.88 0.52 -0.77 -5.01 118.95 119.37 3cx5 s ARG 35 Ca 0.08 -2.14 -0.29 0.00 -0.52 0.00 0.00 55.73 52.86 3cx5 s ARG 35 Cb 0.09 -4.77 -0.12 0.00 0.52 0.00 0.00 34.95 30.67 3cx5 s ARG 35 CO 0.60 -1.60 1.51 2.41 0.02 0.00 0.00 175.30 178.24 3cx5 n THR 36 N 4.79 1.39 -0.81 0.02 -1.04 -1.26 -4.92 114.28 112.45 3cx5 n THR 36 Ca 0.22 -0.35 -0.29 0.00 -2.04 0.00 0.00 64.05 61.60 3cx5 n THR 36 Cb 0.47 -1.85 0.21 0.00 -1.82 0.00 0.00 70.33 67.34 3cx5 n THR 36 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3cx5 s PRO 37 N -1.08 -0.23 -0.10 -2.82 0.04 -1.26 -4.97 135.00 124.59 3cx5 s PRO 37 Ca 0.61 0.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 3cx5 s PRO 37 Cb -0.52 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 3cx5 s PRO 37 CO 0.54 -3.24 0.94 1.21 0.04 0.00 0.00 177.00 176.49 3cx5 s ASN 38 N -2.90 7.19 0.00 6.66 3.84 -1.26 -4.92 114.94 123.55 3cx5 s ASN 38 Ca 0.67 1.46 0.00 0.00 0.21 0.00 0.00 52.86 55.19 3cx5 s ASN 38 Cb -0.22 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 3cx5 s ASN 38 CO 0.61 -0.38 0.84 0.49 -2.79 0.00 0.00 177.10 175.87 3cx5 n PHE 39 N 4.78 0.00 -0.17 0.43 3.01 -1.26 -4.81 117.46 119.44 3cx5 n PHE 39 Ca 0.07 -0.35 0.19 0.00 1.01 0.00 0.00 57.45 58.37 3cx5 n PHE 39 Cb 0.49 -0.03 0.55 0.00 -0.01 0.00 0.00 39.48 40.48 3cx5 n PHE 39 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3cx5 h ASP 40 N 0.00 0.31 0.35 4.37 3.45 -1.91 -0.29 116.42 122.71 3cx5 h ASP 40 Ca 0.00 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 3cx5 h ASP 40 Cb 0.38 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3cx5 h ASP 40 CO 0.00 0.14 -0.06 -2.24 -1.57 0.00 0.00 179.24 175.52 3cx5 h ASP 41 N 0.32 0.00 0.00 6.45 -0.00 -2.03 -3.10 116.42 118.06 3cx5 h ASP 41 Ca 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.41 3cx5 h ASP 41 Cb 1.07 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.39 3cx5 h ASP 41 CO -0.11 0.06 -1.39 0.52 -0.00 0.00 0.00 179.24 178.32 3cx5 n VAL 42 N -3.42 0.06 -2.35 4.15 0.31 -0.49 -5.00 118.33 111.59 3cx5 n VAL 42 Ca -0.02 -0.20 -0.41 0.00 -0.01 0.00 0.00 64.34 63.70 3cx5 n VAL 42 Cb 0.19 0.17 -0.03 0.00 -0.91 0.00 0.00 33.84 33.26 3cx5 n VAL 42 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3cx5 s LEU 43 N -3.69 4.42 0.46 7.52 1.43 -0.24 -5.01 118.68 123.57 3cx5 s LEU 43 Ca -0.03 2.21 -0.20 0.00 -1.03 0.00 0.00 54.13 55.07 3cx5 s LEU 43 Cb 0.05 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 3cx5 s LEU 43 CO 0.33 -0.44 1.00 -1.59 0.23 0.00 0.00 176.35 175.88 3cx5 s LYS 44 N 0.24 3.99 0.94 1.70 -2.85 -1.26 -4.90 119.74 117.59 3cx5 s LYS 44 Ca 0.56 1.24 -0.13 0.00 -1.00 0.00 0.00 55.97 56.64 3cx5 s LYS 44 Cb -0.33 -2.13 0.15 0.00 -2.06 0.00 0.00 37.83 33.46 3cx5 s LYS 44 CO 0.34 -0.25 1.14 -2.00 0.10 0.00 0.00 175.35 174.68 3cx5 s GLU 45 N -3.24 0.93 0.00 1.78 2.12 -1.26 -4.88 118.70 114.15 3cx5 s GLU 45 Ca 0.65 0.27 0.00 0.00 0.36 0.00 0.00 54.97 56.25 3cx5 s GLU 45 Cb -0.13 -1.82 0.00 0.00 0.26 0.00 0.00 34.13 32.44 3cx5 s GLU 45 CO 0.17 -2.34 0.56 0.09 -0.54 0.00 0.00 175.26 173.21 3cx5 n ASN 46 N -3.86 1.64 0.30 -1.70 3.02 -1.26 -4.12 115.26 109.29 3cx5 n ASN 46 Ca 0.07 -1.08 -0.12 0.00 -0.03 0.00 0.00 54.58 53.41 3cx5 n ASN 46 Cb 0.59 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 39.42 3cx5 n ASN 46 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3cx5 h ASN 47 N 1.17 -0.68 -2.81 6.41 2.35 -2.03 -3.46 115.58 116.54 3cx5 h ASN 47 Ca 0.00 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3cx5 h ASN 47 Cb 0.50 0.18 -0.25 0.00 0.05 0.00 0.00 38.32 38.80 3cx5 h ASN 47 CO 0.00 -0.34 -0.22 -0.62 -1.65 0.00 0.00 177.43 174.60 3cx5 s ASP 48 N -4.25 -0.64 0.00 5.81 3.68 -1.26 -5.04 116.67 114.98 3cx5 s ASP 48 Ca -0.12 1.16 0.20 0.00 2.13 0.00 0.00 52.55 55.93 3cx5 s ASP 48 Cb 0.01 1.29 0.87 0.00 -1.45 0.00 0.00 42.92 43.64 3cx5 s ASP 48 CO 0.35 -0.22 1.65 0.00 0.13 0.00 0.00 175.17 177.08 3cx5 n ALA 49 N 4.75 1.94 0.40 3.66 0.00 -1.26 -3.29 120.51 126.71 3cx5 n ALA 49 Ca -0.17 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.27 3cx5 n ALA 49 Cb 0.54 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.75 3cx5 n ALA 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cx5 n ASP 50 N -1.49 2.43 0.01 0.00 10.43 -1.26 -4.63 116.55 122.04 3cx5 n ASP 50 Ca 0.05 -1.69 -0.11 0.00 2.57 0.00 0.00 54.79 55.61 3cx5 n ASP 50 Cb 0.24 -0.07 -0.06 0.00 1.84 0.00 0.00 41.12 43.07 3cx5 n ASP 50 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 3cx5 h LYS 51 N 2.75 0.03 -0.58 -1.24 1.79 -1.99 0.97 116.57 118.31 3cx5 h LYS 51 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3cx5 h LYS 51 Cb 0.64 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 3cx5 h LYS 51 CO 0.00 0.02 0.37 0.78 -1.08 0.00 0.00 179.45 179.54 3cx5 h GLY 52 N 0.03 0.82 0.84 3.86 0.00 -1.83 -1.99 103.07 104.80 3cx5 h GLY 52 Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3cx5 h GLY 52 CO -0.05 0.31 0.01 -0.09 0.00 0.00 0.00 176.54 176.72 3cx5 h ARG 53 N 0.78 0.03 -0.83 4.80 2.43 -1.77 -1.67 114.38 118.16 3cx5 h ARG 53 Ca 0.21 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3cx5 h ARG 53 Cb -0.07 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3cx5 h ARG 53 CO -0.04 0.19 0.40 0.77 -1.51 0.00 0.00 179.97 179.78 3cx5 h SER 54 N -0.13 1.08 -0.17 -3.80 0.02 -0.74 -0.22 113.55 109.58 3cx5 h SER 54 Ca 0.01 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3cx5 h SER 54 Cb 0.17 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3cx5 h SER 54 CO -0.00 0.91 -0.04 1.88 -1.14 0.00 0.00 176.83 178.43 3cx5 h TYR 55 N 1.18 0.38 -0.41 3.45 0.05 -1.34 -2.19 116.97 118.10 3cx5 h TYR 55 Ca 0.28 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 3cx5 h TYR 55 Cb 0.12 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3cx5 h TYR 55 CO 0.01 0.61 0.25 0.00 -1.05 0.00 0.00 178.16 177.98 3cx5 h ALA 56 N 0.72 0.52 0.00 3.88 0.00 -1.08 -1.31 119.26 121.99 3cx5 h ALA 56 Ca 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3cx5 h ALA 56 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3cx5 h ALA 56 CO 0.02 0.01 -0.36 1.88 0.00 0.00 0.00 179.25 180.80 3cx5 h TYR 57 N 0.54 0.00 -0.04 0.00 0.05 -1.07 -0.50 116.97 115.95 3cx5 h TYR 57 Ca 0.15 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.78 3cx5 h TYR 57 Cb -0.01 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.74 3cx5 h TYR 57 CO -0.04 0.36 -0.56 0.35 -1.05 0.00 0.00 178.16 177.22 3cx5 h PHE 58 N 0.00 0.65 0.01 4.88 3.57 -1.12 -1.01 116.94 123.91 3cx5 h PHE 58 Ca -0.00 -0.32 0.01 0.00 3.53 0.00 0.00 57.97 61.18 3cx5 h PHE 58 Cb 0.77 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3cx5 h PHE 58 CO 0.00 1.12 -0.04 0.52 -2.23 0.00 0.00 178.31 177.68 3cx5 h MET 59 N -0.01 -0.07 -0.72 1.11 2.86 -0.94 0.89 114.93 118.05 3cx5 h MET 59 Ca -0.06 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3cx5 h MET 59 Cb 1.24 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 3cx5 h MET 59 CO 0.11 -0.05 0.33 0.28 1.06 0.00 0.00 176.91 178.65 3cx5 h VAL 60 N -0.07 1.24 -0.37 -2.22 2.07 -1.16 -0.97 116.25 114.77 3cx5 h VAL 60 Ca 0.01 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 3cx5 h VAL 60 Cb 0.08 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3cx5 h VAL 60 CO -0.03 0.29 0.06 1.23 0.02 0.00 0.00 177.57 179.14 3cx5 h GLY 61 N 1.02 0.66 1.37 2.17 0.00 -0.89 0.07 103.07 107.47 3cx5 h GLY 61 Ca 0.25 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 3cx5 h GLY 61 CO -0.03 0.41 -0.18 0.00 0.00 0.00 0.00 176.54 176.74 3cx5 h ALA 62 N 0.91 0.96 -0.52 3.60 0.00 -0.69 -0.36 119.26 123.16 3cx5 h ALA 62 Ca 0.11 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3cx5 h ALA 62 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3cx5 h ALA 62 CO 0.01 0.61 0.01 1.98 0.00 0.00 0.00 179.25 181.85 3cx5 h MET 63 N 0.65 0.91 -0.62 0.00 4.05 -0.99 -0.94 114.93 117.99 3cx5 h MET 63 Ca 0.10 -0.29 -0.07 0.00 -0.28 0.00 0.00 59.70 59.17 3cx5 h MET 63 Cb 0.66 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.35 3cx5 h MET 63 CO 0.05 0.93 0.11 0.78 0.23 0.00 0.00 176.91 179.01 3cx5 h GLY 64 N 0.78 1.08 0.91 1.39 0.00 -0.73 -1.36 103.07 105.14 3cx5 h GLY 64 Ca 0.15 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 3cx5 h GLY 64 CO 0.02 0.63 -0.33 -2.00 0.00 0.00 0.00 176.54 174.87 3cx5 h LEU 65 N 0.94 -0.77 -1.27 3.11 7.12 -0.79 -1.69 115.31 121.97 3cx5 h LEU 65 Ca 0.19 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.15 3cx5 h LEU 65 Cb 0.39 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 3cx5 h LEU 65 CO 0.01 -0.49 -0.09 -0.07 -0.13 0.00 0.00 178.44 177.67 3cx5 h LEU 66 N -1.01 0.37 -0.57 2.25 3.38 -1.14 -1.87 115.31 116.71 3cx5 h LEU 66 Ca -0.09 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 3cx5 h LEU 66 Cb 0.72 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3cx5 h LEU 66 CO 0.15 0.50 -0.15 0.28 0.09 0.00 0.00 178.44 179.31 3cx5 h SER 67 N 0.37 0.99 -0.49 -0.43 0.02 -1.21 0.16 113.55 112.95 3cx5 h SER 67 Ca 0.07 -0.34 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 3cx5 h SER 67 Cb 0.39 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3cx5 h SER 67 CO 0.02 1.13 0.07 0.28 -1.14 0.00 0.00 176.83 177.19 3cx5 h SER 68 N 0.87 0.79 -0.58 3.07 0.02 -0.95 0.24 113.55 117.00 3cx5 h SER 68 Ca 0.13 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 3cx5 h SER 68 Cb 0.71 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3cx5 h SER 68 CO 0.05 0.85 -0.01 0.00 -1.14 0.00 0.00 176.83 176.59 3cx5 h ALA 69 N 0.96 0.79 -0.19 3.77 0.00 -1.20 -0.53 119.26 122.86 3cx5 h ALA 69 Ca 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3cx5 h ALA 69 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3cx5 h ALA 69 CO 0.01 0.63 0.06 0.78 0.00 0.00 0.00 179.25 180.73 3cx5 h GLY 70 N 0.93 0.32 0.95 0.00 0.00 -0.36 -1.18 103.07 103.73 3cx5 h GLY 70 Ca 0.16 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.32 3cx5 h GLY 70 CO 0.03 0.18 0.44 0.00 0.00 0.00 0.00 176.54 177.19 3cx5 h ALA 71 N 0.88 0.87 -0.32 3.60 0.00 -0.44 -0.44 119.26 123.42 3cx5 h ALA 71 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3cx5 h ALA 71 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3cx5 h ALA 71 CO -0.00 0.25 0.17 -0.22 0.00 0.00 0.00 179.25 179.44 3cx5 h LYS 72 N 0.89 0.45 -0.63 0.00 3.64 -0.94 -0.67 116.57 119.31 3cx5 h LYS 72 Ca 0.26 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3cx5 h LYS 72 Cb -0.06 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3cx5 h LYS 72 CO -0.08 0.40 0.22 0.77 -2.27 0.00 0.00 179.45 178.50 3cx5 h SER 73 N 0.39 0.87 -0.08 4.20 0.02 -0.83 -1.47 113.55 116.65 3cx5 h SER 73 Ca 0.11 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3cx5 h SER 73 Cb 0.09 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 3cx5 h SER 73 CO -0.02 0.80 0.00 0.74 -1.14 0.00 0.00 176.83 177.21 3cx5 h THR 74 N 0.92 1.24 -0.57 -2.27 2.02 -0.80 -0.88 112.91 112.58 3cx5 h THR 74 Ca 0.21 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3cx5 h THR 74 Cb 0.22 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 3cx5 h THR 74 CO -0.01 0.21 0.34 0.58 0.37 0.00 0.00 175.52 177.01 3cx5 h VAL 75 N -0.12 1.06 -0.16 3.16 2.07 -0.95 -2.04 116.25 119.26 3cx5 h VAL 75 Ca 0.02 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 3cx5 h VAL 75 Cb 0.33 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3cx5 h VAL 75 CO 0.00 0.12 -0.24 -0.33 0.02 0.00 0.00 177.57 177.15 3cx5 h GLU 76 N 0.68 0.29 -0.22 1.57 5.08 -1.20 -0.90 114.58 119.87 3cx5 h GLU 76 Ca 0.23 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3cx5 h GLU 76 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3cx5 h GLU 76 CO -0.10 0.52 0.12 1.15 -1.00 0.00 0.00 179.01 179.70 3cx5 h THR 77 N 0.26 1.12 -0.18 1.13 2.02 -0.47 0.19 112.91 116.99 3cx5 h THR 77 Ca 0.04 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 3cx5 h THR 77 Cb 0.57 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3cx5 h THR 77 CO 0.04 0.11 -0.07 -0.26 0.37 0.00 0.00 175.52 175.71 3cx5 h PHE 78 N 0.25 0.42 -0.50 3.16 0.04 -1.20 -2.64 116.94 116.47 3cx5 h PHE 78 Ca 0.08 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.76 3cx5 h PHE 78 Cb 0.07 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 3cx5 h PHE 78 CO -0.03 0.66 0.32 0.82 -0.60 0.00 0.00 178.31 179.47 3cx5 h ILE 79 N 0.06 1.10 0.00 -0.55 2.04 -1.05 -1.71 117.51 117.39 3cx5 h ILE 79 Ca 0.04 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3cx5 h ILE 79 Cb 0.54 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3cx5 h ILE 79 CO 0.02 0.12 0.00 0.77 0.00 0.00 0.00 178.15 179.06 3cx5 h SER 80 N 0.64 0.00 0.82 1.72 4.64 -0.59 -1.66 113.55 119.12 3cx5 h SER 80 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3cx5 h SER 80 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3cx5 h SER 80 CO -0.06 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.67 3cx5 h SER 81 N 0.00 0.00 0.32 4.97 4.64 -0.93 -2.19 113.55 120.37 3cx5 h SER 81 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cx5 h SER 81 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3cx5 h SER 81 CO 0.00 0.00 -0.44 0.23 -0.87 0.00 0.00 176.83 175.75 3cx5 n MET 82 N -2.53 0.42 -1.66 4.77 2.00 -0.62 -4.92 117.12 114.58 3cx5 n MET 82 Ca 0.02 -0.27 -0.31 0.00 0.00 0.00 0.00 57.70 57.14 3cx5 n MET 82 Cb 0.25 -1.49 0.04 0.00 0.00 0.00 0.00 33.22 32.02 3cx5 n MET 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3cx5 s THR 83 N -2.76 4.02 -0.23 2.03 -4.23 -0.82 -4.90 115.64 108.75 3cx5 s THR 83 Ca 0.17 0.70 -0.42 0.00 -1.18 0.00 0.00 61.69 60.96 3cx5 s THR 83 Cb 0.18 -3.41 -0.19 0.00 1.34 0.00 0.00 72.50 70.42 3cx5 s THR 83 CO 0.63 -0.81 1.41 0.00 -0.54 0.00 0.00 174.62 175.31 3cx5 n ALA 84 N -2.93 -1.90 -1.25 3.99 0.00 -1.26 -4.92 120.51 112.24 3cx5 n ALA 84 Ca 0.08 0.52 -0.31 0.00 0.00 0.00 0.00 53.44 53.73 3cx5 n ALA 84 Cb 0.53 -1.93 0.10 0.00 0.00 0.00 0.00 19.45 18.15 3cx5 n ALA 84 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cx5 s THR 85 N 1.77 3.26 0.56 0.00 -4.23 -1.26 -4.94 115.64 110.80 3cx5 s THR 85 Ca 0.97 0.41 0.26 0.00 -1.18 0.00 0.00 61.69 62.14 3cx5 s THR 85 Cb -1.29 -2.89 0.36 0.00 1.34 0.00 0.00 72.50 70.02 3cx5 s THR 85 CO 0.67 -0.53 2.07 0.00 -0.54 0.00 0.00 174.62 176.29 3cx5 h ALA 86 N -1.17 2.05 -0.15 3.99 0.00 -2.02 -2.48 119.26 119.47 3cx5 h ALA 86 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3cx5 h ALA 86 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3cx5 h ALA 86 CO 0.51 -0.36 0.00 -0.40 0.00 0.00 0.00 179.25 179.00 3cx5 n ASP 87 N -4.08 1.78 -0.14 0.00 3.85 -1.26 -4.11 116.55 112.59 3cx5 n ASP 87 Ca 0.03 -1.69 0.03 0.00 -0.71 0.00 0.00 54.79 52.45 3cx5 n ASP 87 Cb 0.38 -0.09 0.06 0.00 -1.35 0.00 0.00 41.12 40.12 3cx5 n ASP 87 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 3cx5 n VAL 88 N 0.40 1.25 -0.15 2.12 0.24 -0.93 -4.67 118.33 116.57 3cx5 n VAL 88 Ca 0.17 -1.31 -0.00 0.00 -2.04 0.00 0.00 64.34 61.16 3cx5 n VAL 88 Cb 0.36 0.31 0.21 0.00 -1.47 0.00 0.00 33.84 33.25 3cx5 n VAL 88 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3cx5 n LEU 89 N -0.57 4.12 -4.59 1.34 4.77 -1.25 -4.95 117.00 115.87 3cx5 n LEU 89 Ca 0.06 -2.11 -0.43 0.00 -0.03 0.00 0.00 56.01 53.49 3cx5 n LEU 89 Cb 0.38 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3cx5 n LEU 89 CO 0.02 0.55 1.85 0.00 -1.33 0.00 0.00 177.39 178.48 3cx5 n ALA 90 N 0.17 1.75 -3.28 -1.18 0.00 -1.26 -4.93 120.51 111.77 3cx5 n ALA 90 Ca 0.21 -0.23 -0.46 0.00 0.00 0.00 0.00 53.44 52.95 3cx5 n ALA 90 Cb 0.90 -2.90 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 3cx5 n ALA 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3cx5 s MET 91 N 6.32 3.49 -0.07 0.00 1.75 -1.26 -4.92 119.30 124.62 3cx5 s MET 91 Ca 1.01 -2.25 0.05 0.00 -1.25 0.00 0.00 55.69 53.26 3cx5 s MET 91 Cb -0.37 -4.44 -0.01 0.00 2.84 0.00 0.00 34.83 32.85 3cx5 s MET 91 CO 0.36 -1.35 -0.23 0.00 -0.65 0.00 0.00 175.02 173.15 3cx5 s ALA 92 N 0.69 2.24 0.73 4.11 0.00 -1.26 -5.13 121.76 123.14 3cx5 s ALA 92 Ca 0.17 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 3cx5 s ALA 92 Cb -0.13 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.28 3cx5 s ALA 92 CO -0.07 0.41 1.08 0.21 0.00 0.00 0.00 175.76 177.39 3cx5 s LYS 93 N -0.13 2.61 -0.00 0.00 2.47 -1.26 -4.62 119.74 118.80 3cx5 s LYS 93 Ca -0.04 0.79 0.00 0.00 -1.56 0.00 0.00 55.97 55.16 3cx5 s LYS 93 Cb -0.14 -1.97 0.00 0.00 -1.46 0.00 0.00 37.83 34.27 3cx5 s LYS 93 CO 0.04 -1.29 0.00 0.54 0.16 0.00 0.00 175.35 174.80 3cx5 s VAL 94 N -3.11 0.02 0.00 4.02 0.11 -0.78 -4.99 120.40 115.67 3cx5 s VAL 94 Ca 0.59 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.69 3cx5 s VAL 94 Cb -0.14 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 3cx5 s VAL 94 CO 0.54 0.02 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.68 3cx5 s GLU 95 N 0.18 2.63 -0.02 1.54 2.02 -1.26 -0.86 118.70 122.93 3cx5 s GLU 95 Ca -0.01 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.30 3cx5 s GLU 95 Cb -0.02 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.65 3cx5 s GLU 95 CO -0.01 0.61 -0.05 0.08 0.02 0.00 0.00 175.26 175.92 3cx5 s VAL 96 N -1.04 0.43 -0.56 2.63 1.01 -0.81 -4.99 120.40 117.08 3cx5 s VAL 96 Ca 0.18 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 3cx5 s VAL 96 Cb -0.11 -0.41 0.04 0.00 0.00 0.00 0.00 36.38 35.90 3cx5 s VAL 96 CO 0.09 0.15 0.98 0.21 0.00 0.00 0.00 175.10 176.53 3cx5 s ASN 97 N 0.29 6.34 0.44 3.32 2.47 -1.26 -1.80 114.94 124.74 3cx5 s ASN 97 Ca -0.03 -0.33 0.21 0.00 0.42 0.00 0.00 52.86 53.12 3cx5 s ASN 97 Cb -0.07 -2.45 1.02 0.00 -1.45 0.00 0.00 41.25 38.30 3cx5 s ASN 97 CO -0.00 -1.28 1.91 -0.07 -3.72 0.00 0.00 177.10 173.93 3cx5 h LEU 98 N 11.15 0.00 -1.73 3.21 3.38 -1.31 -3.00 115.31 127.01 3cx5 h LEU 98 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3cx5 h LEU 98 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3cx5 h LEU 98 CO 1.11 0.25 -0.17 0.00 0.09 0.00 0.00 178.44 179.72 3cx5 h ALA 99 N 1.75 1.38 0.00 1.53 0.00 -1.89 -2.23 119.26 119.80 3cx5 h ALA 99 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3cx5 h ALA 99 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3cx5 h ALA 99 CO 0.03 0.22 -0.06 0.00 0.00 0.00 0.00 179.25 179.43 3cx5 n ALA 100 N -2.36 2.48 -2.52 0.00 0.00 -1.13 -4.74 120.51 112.23 3cx5 n ALA 100 Ca -0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3cx5 n ALA 100 Cb 0.27 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 3cx5 n ALA 100 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3cx5 s ILE 101 N -3.01 4.94 0.96 0.00 1.01 -0.84 -5.07 121.20 119.20 3cx5 s ILE 101 Ca 0.13 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 3cx5 s ILE 101 Cb 0.18 -4.09 0.25 0.00 0.01 0.00 0.00 42.46 38.81 3cx5 s ILE 101 CO 0.56 -0.44 0.65 -2.65 0.00 0.00 0.00 174.94 173.06 3cx5 n PRO 102 N 5.96 -3.50 0.00 2.79 -0.02 -1.26 -4.93 135.00 134.04 3cx5 n PRO 102 Ca -0.04 -1.08 0.00 0.00 -2.02 0.00 0.00 63.50 60.37 3cx5 n PRO 102 Cb 0.48 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 3cx5 n PRO 102 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3cx5 n LEU 103 N 0.00 0.00 -3.06 2.45 7.99 -1.26 -3.96 117.00 119.16 3cx5 n LEU 103 Ca 0.10 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.92 3cx5 n LEU 103 Cb 0.41 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.70 3cx5 n LEU 103 CO 0.28 0.00 2.06 0.61 -1.51 0.00 0.00 177.39 178.82 3cx5 n GLY 104 N 0.00 2.82 3.16 -0.72 0.00 -1.24 -3.95 105.19 105.26 3cx5 n GLY 104 Ca 0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 3cx5 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cx5 s LYS 105 N 3.47 1.43 -0.10 1.61 -0.14 -1.25 -5.02 119.74 119.73 3cx5 s LYS 105 Ca 0.34 -0.62 -0.08 0.00 -1.36 0.00 0.00 55.97 54.25 3cx5 s LYS 105 Cb 0.09 -1.37 -0.04 0.00 -1.68 0.00 0.00 37.83 34.83 3cx5 s LYS 105 CO -0.03 0.36 0.18 -0.80 -0.76 0.00 0.00 175.35 174.30 3cx5 s ASN 106 N -0.37 6.45 -0.04 2.83 0.02 -1.26 -2.95 114.94 119.63 3cx5 s ASN 106 Ca 0.06 0.54 0.03 0.00 -1.02 0.00 0.00 52.86 52.47 3cx5 s ASN 106 Cb -0.07 -2.10 0.00 0.00 0.02 0.00 0.00 41.25 39.11 3cx5 s ASN 106 CO -0.00 0.40 -0.12 -0.69 0.02 0.00 0.00 177.10 176.71 3cx5 s VAL 107 N -1.04 1.02 -0.14 1.60 1.01 0.59 -5.00 120.40 118.44 3cx5 s VAL 107 Ca 0.16 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3cx5 s VAL 107 Cb -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3cx5 s VAL 107 CO 0.05 0.31 -0.20 -0.69 0.00 0.00 0.00 175.10 174.57 3cx5 s VAL 108 N 0.22 2.24 0.06 2.92 1.01 -1.26 -0.86 120.40 124.73 3cx5 s VAL 108 Ca -0.05 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.06 3cx5 s VAL 108 Cb -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3cx5 s VAL 108 CO 0.01 0.54 -0.14 0.68 0.00 0.00 0.00 175.10 176.19 3cx5 s VAL 109 N 0.72 1.11 0.17 2.92 -7.23 -0.64 -4.93 120.40 112.53 3cx5 s VAL 109 Ca -0.09 -1.21 -0.26 0.00 -1.81 0.00 0.00 61.98 58.61 3cx5 s VAL 109 Cb -0.16 -1.05 -0.08 0.00 0.56 0.00 0.00 36.38 35.65 3cx5 s VAL 109 CO 0.01 -0.16 0.79 -0.75 -0.31 0.00 0.00 175.10 174.68 3cx5 s LYS 110 N -1.55 4.60 -0.23 4.82 2.20 -1.26 0.42 119.74 128.73 3cx5 s LYS 110 Ca -0.01 1.19 -0.04 0.00 -0.36 0.00 0.00 55.97 56.75 3cx5 s LYS 110 Cb -0.09 -3.26 0.12 0.00 -1.51 0.00 0.00 37.83 33.08 3cx5 s LYS 110 CO 0.02 0.57 0.42 -0.46 -0.36 0.00 0.00 175.35 175.54 3cx5 s TRP 111 N -1.15 -0.90 -1.46 4.03 -0.00 0.13 -4.91 118.94 114.68 3cx5 s TRP 111 Ca 0.36 1.24 -0.10 0.00 -0.00 0.00 0.00 56.10 57.59 3cx5 s TRP 111 Cb -0.23 0.21 0.06 0.00 -0.00 0.00 0.00 33.47 33.50 3cx5 s TRP 111 CO 0.27 -0.63 0.96 1.04 -0.00 0.00 0.00 176.95 178.59 3cx5 n GLN 112 N 5.38 -5.82 -0.17 5.86 6.02 -1.26 -1.67 117.38 125.72 3cx5 n GLN 112 Ca -0.06 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 3cx5 n GLN 112 Cb 0.50 -5.50 0.00 0.00 1.02 0.00 0.00 30.24 26.26 3cx5 n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cx5 n GLY 113 N -1.71 2.57 3.61 1.08 0.00 -1.26 -5.01 105.19 104.47 3cx5 n GLY 113 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3cx5 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cx5 s LYS 114 N -0.01 2.24 0.22 1.61 3.01 -0.67 -5.10 119.74 121.04 3cx5 s LYS 114 Ca 0.00 -1.00 -0.30 0.00 -1.01 0.00 0.00 55.97 53.66 3cx5 s LYS 114 Cb 0.00 -2.35 -0.08 0.00 -1.01 0.00 0.00 37.83 34.38 3cx5 s LYS 114 CO 0.00 0.51 0.94 -1.25 0.51 0.00 0.00 175.35 176.05 3cx5 s PRO 115 N -2.32 4.82 -0.18 -1.68 0.04 -1.26 -0.70 135.00 133.71 3cx5 s PRO 115 Ca 0.23 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 3cx5 s PRO 115 Cb -0.11 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 3cx5 s PRO 115 CO 0.15 0.48 -0.12 0.08 0.04 0.00 0.00 177.00 177.63 3cx5 s VAL 116 N -1.00 2.85 -0.02 -0.36 1.01 0.17 -0.68 120.40 122.37 3cx5 s VAL 116 Ca 0.42 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 3cx5 s VAL 116 Cb -0.25 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 3cx5 s VAL 116 CO 0.31 0.48 0.66 -0.36 0.00 0.00 0.00 175.10 176.20 3cx5 s PHE 117 N 1.15 3.65 -0.08 5.22 2.99 0.33 -1.62 117.98 129.62 3cx5 s PHE 117 Ca 0.01 1.26 -0.01 0.00 0.00 0.00 0.00 56.93 58.18 3cx5 s PHE 117 Cb -0.14 -2.71 0.03 0.00 0.00 0.00 0.00 43.02 40.20 3cx5 s PHE 117 CO -0.04 0.24 -0.00 0.42 -0.00 0.00 0.00 175.22 175.84 3cx5 s ILE 118 N 0.18 0.43 -0.04 0.64 1.01 -0.04 -1.12 121.20 122.26 3cx5 s ILE 118 Ca 0.34 0.05 0.05 0.00 0.00 0.00 0.00 60.65 61.09 3cx5 s ILE 118 Cb -0.18 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 3cx5 s ILE 118 CO 0.18 0.23 -0.18 -0.60 0.00 0.00 0.00 174.94 174.58 3cx5 s ARG 119 N 1.95 1.78 -0.76 2.79 3.52 -0.21 -0.30 118.95 127.71 3cx5 s ARG 119 Ca 0.05 -0.64 -0.19 0.00 -0.13 0.00 0.00 55.73 54.82 3cx5 s ARG 119 Cb -0.13 -1.57 0.12 0.00 -1.56 0.00 0.00 34.95 31.82 3cx5 s ARG 119 CO -0.06 0.28 0.93 -1.58 -0.81 0.00 0.00 175.30 174.07 3cx5 s HIS 120 N -0.06 3.05 0.28 5.12 5.65 -1.15 -1.12 115.29 127.07 3cx5 s HIS 120 Ca -0.02 -1.15 -0.29 0.00 0.25 0.00 0.00 55.06 53.85 3cx5 s HIS 120 Cb -0.11 -4.16 -0.10 0.00 -1.18 0.00 0.00 32.58 27.04 3cx5 s HIS 120 CO 0.02 -1.42 1.14 1.03 -0.65 0.00 0.00 174.74 174.86 3cx5 s ARG 121 N 2.72 4.59 0.70 2.88 0.52 0.31 -3.68 118.95 126.98 3cx5 s ARG 121 Ca 0.23 1.88 -0.11 0.00 -0.52 0.00 0.00 55.73 57.21 3cx5 s ARG 121 Cb -0.14 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.18 3cx5 s ARG 121 CO -0.01 0.13 1.08 0.95 0.02 0.00 0.00 175.30 177.47 3cx5 s THR 122 N -1.11 3.34 0.21 0.02 -4.23 -1.26 -4.75 115.64 107.86 3cx5 s THR 122 Ca 0.46 0.36 -0.09 0.00 -1.18 0.00 0.00 61.69 61.23 3cx5 s THR 122 Cb -0.33 -3.42 0.14 0.00 1.34 0.00 0.00 72.50 70.23 3cx5 s THR 122 CO 0.43 -0.53 1.78 -0.65 -0.54 0.00 0.00 174.62 175.11 3cx5 h PRO 123 N -0.63 0.55 -0.71 3.99 0.11 -1.98 -0.40 132.00 132.93 3cx5 h PRO 123 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3cx5 h PRO 123 Cb 1.26 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3cx5 h PRO 123 CO 0.64 0.37 0.42 1.25 -0.21 0.00 0.00 178.00 180.46 3cx5 h HIS 124 N 0.57 0.95 -0.43 0.65 -0.00 -2.00 -2.08 115.15 112.81 3cx5 h HIS 124 Ca 0.31 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.59 3cx5 h HIS 124 Cb 0.28 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3cx5 h HIS 124 CO -0.11 0.65 -0.03 0.93 -0.00 0.00 0.00 177.93 179.37 3cx5 h GLU 125 N 0.97 0.71 -0.54 5.26 5.08 -1.74 -1.76 114.58 122.58 3cx5 h GLU 125 Ca 0.25 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3cx5 h GLU 125 Cb -0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3cx5 h GLU 125 CO -0.05 0.75 0.10 0.82 -1.00 0.00 0.00 179.01 179.64 3cx5 h ILE 126 N 0.67 1.25 -0.41 3.13 2.04 -0.68 -0.90 117.51 122.61 3cx5 h ILE 126 Ca 0.13 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 3cx5 h ILE 126 Cb 0.46 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3cx5 h ILE 126 CO 0.02 0.34 0.08 -0.61 0.00 0.00 0.00 178.15 177.98 3cx5 h GLN 127 N 0.77 0.66 -0.89 2.37 4.15 -1.15 -2.35 115.11 118.67 3cx5 h GLN 127 Ca 0.16 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.45 3cx5 h GLN 127 Cb 0.39 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 3cx5 h GLN 127 CO 0.01 0.69 0.58 1.49 -1.93 0.00 0.00 178.83 179.67 3cx5 h GLU 128 N 0.52 1.09 -0.56 1.69 4.81 -1.10 -1.36 114.58 119.67 3cx5 h GLU 128 Ca 0.13 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3cx5 h GLU 128 Cb 0.34 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3cx5 h GLU 128 CO 0.00 0.72 0.05 0.00 -0.73 0.00 0.00 179.01 179.06 3cx5 h ALA 129 N 1.48 1.05 -0.65 2.92 0.00 -0.82 -3.11 119.26 120.12 3cx5 h ALA 129 Ca 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3cx5 h ALA 129 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3cx5 h ALA 129 CO -0.10 0.60 0.00 0.27 0.00 0.00 0.00 179.25 180.02 3cx5 n ASN 130 N -4.22 4.30 -0.61 0.00 0.23 -0.89 -4.44 115.26 109.63 3cx5 n ASN 130 Ca 0.03 -2.26 0.05 0.00 -0.53 0.00 0.00 54.58 51.88 3cx5 n ASN 130 Cb 0.29 -0.52 0.19 0.00 -2.08 0.00 0.00 39.78 37.67 3cx5 n ASN 130 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3cx5 n SER 131 N 1.24 2.37 -4.58 0.53 7.64 -0.56 -4.99 113.62 115.28 3cx5 n SER 131 Ca 0.24 -3.51 -0.34 0.00 1.01 0.00 0.00 58.87 56.27 3cx5 n SER 131 Cb 0.75 -0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 3cx5 n SER 131 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3cx5 s VAL 132 N -3.08 4.05 0.17 0.44 1.01 -1.26 -5.03 120.40 116.70 3cx5 s VAL 132 Ca 0.38 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3cx5 s VAL 132 Cb 0.35 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 3cx5 s VAL 132 CO -0.00 0.54 1.33 -0.62 0.00 0.00 0.00 175.10 176.35 3cx5 s ASP 133 N -0.21 6.88 0.58 3.32 3.68 -1.26 -4.91 116.67 124.75 3cx5 s ASP 133 Ca 0.04 2.36 0.27 0.00 2.13 0.00 0.00 52.55 57.36 3cx5 s ASP 133 Cb -0.13 -2.60 1.65 0.00 -1.45 0.00 0.00 42.92 40.39 3cx5 s ASP 133 CO 0.02 -0.56 2.16 0.24 0.13 0.00 0.00 175.17 177.16 3cx5 h MET 134 N 5.87 0.00 0.00 4.34 2.86 -1.97 -1.74 114.93 124.29 3cx5 h MET 134 Ca -0.44 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3cx5 h MET 134 Cb 1.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 3cx5 h MET 134 CO 0.80 0.00 -0.01 0.66 1.06 0.00 0.00 176.91 179.42 3cx5 h SER 135 N 0.00 0.00 -0.42 1.22 4.64 -2.03 -1.01 113.55 115.95 3cx5 h SER 135 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3cx5 h SER 135 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3cx5 h SER 135 CO -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3cx5 n ALA 136 N -2.16 2.60 -3.46 5.18 0.00 -0.65 -4.87 120.51 117.15 3cx5 n ALA 136 Ca -0.02 -0.84 -0.29 0.00 0.00 0.00 0.00 53.44 52.29 3cx5 n ALA 136 Cb 0.11 -0.99 -0.17 0.00 0.00 0.00 0.00 19.45 18.41 3cx5 n ALA 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cx5 s LEU 137 N -1.12 1.89 0.42 0.00 1.43 -0.39 -4.96 118.68 115.95 3cx5 s LEU 137 Ca 0.30 -0.47 0.22 0.00 -1.03 0.00 0.00 54.13 53.14 3cx5 s LEU 137 Cb 0.17 -1.19 0.86 0.00 0.03 0.00 0.00 46.19 46.05 3cx5 s LEU 137 CO 0.18 0.08 1.81 0.07 0.23 0.00 0.00 176.35 178.72 3cx5 h LYS 138 N 7.05 0.00 -2.57 1.70 2.10 -1.86 -3.27 116.57 119.73 3cx5 h LYS 138 Ca -0.27 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.78 3cx5 h LYS 138 Cb 1.20 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.13 3cx5 h LYS 138 CO 0.49 0.28 -0.73 -3.47 -2.00 0.00 0.00 179.45 174.02 3cx5 n ASP 139 N -3.50 2.08 -4.68 7.07 4.64 -1.26 -5.04 116.55 115.86 3cx5 n ASP 139 Ca -0.00 -3.02 -0.48 0.00 -1.38 0.00 0.00 54.79 49.90 3cx5 n ASP 139 Cb 0.44 -0.68 -0.05 0.00 -1.04 0.00 0.00 41.12 39.80 3cx5 n ASP 139 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3cx5 n PRO 140 N 1.80 2.17 -3.64 -0.67 -0.02 -1.24 -4.79 135.00 128.61 3cx5 n PRO 140 Ca 0.25 0.79 -0.07 0.00 -2.02 0.00 0.00 63.50 62.45 3cx5 n PRO 140 Cb 0.42 -2.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.20 3cx5 n PRO 140 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3cx5 s GLN 141 N 3.70 0.70 0.65 -0.52 0.74 -1.26 -5.15 119.66 118.52 3cx5 s GLN 141 Ca 0.91 1.16 -0.14 0.00 0.05 0.00 0.00 55.36 57.34 3cx5 s GLN 141 Cb -0.69 0.16 -0.01 0.00 1.10 0.00 0.00 33.01 33.57 3cx5 s GLN 141 CO 0.50 -0.14 1.08 0.95 -0.55 0.00 0.00 175.29 177.14 3cx5 s THR 142 N 1.48 3.55 0.39 -0.34 -4.23 -1.26 -4.94 115.64 110.28 3cx5 s THR 142 Ca -0.09 0.67 0.13 0.00 -1.18 0.00 0.00 61.69 61.22 3cx5 s THR 142 Cb -0.05 -3.21 0.11 0.00 1.34 0.00 0.00 72.50 70.69 3cx5 s THR 142 CO -0.17 -0.49 1.86 -0.78 -0.54 0.00 0.00 174.62 174.49 3cx5 h ASP 143 N -0.04 0.01 0.51 3.99 1.82 -1.95 -2.70 116.42 118.06 3cx5 h ASP 143 Ca -0.46 -0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.07 3cx5 h ASP 143 Cb 1.23 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 3cx5 h ASP 143 CO 0.55 0.34 -0.50 0.00 -1.61 0.00 0.00 179.24 178.02 3cx5 h ALA 144 N 1.66 1.16 -0.00 -0.78 0.00 -1.92 -1.73 119.26 117.66 3cx5 h ALA 144 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3cx5 h ALA 144 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3cx5 h ALA 144 CO 0.04 0.62 -0.00 -3.47 0.00 0.00 0.00 179.25 176.45 3cx5 n ASP 145 N -3.93 0.00 -0.02 0.00 2.03 -1.02 -3.67 116.55 109.94 3cx5 n ASP 145 Ca -0.01 -0.18 0.02 0.00 0.52 0.00 0.00 54.79 55.14 3cx5 n ASP 145 Cb 0.52 -0.27 -0.08 0.00 -0.72 0.00 0.00 41.12 40.56 3cx5 n ASP 145 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3cx5 n ARG 146 N -1.27 1.05 -4.22 -0.67 1.74 -0.88 -5.00 116.66 107.41 3cx5 n ARG 146 Ca 0.15 -0.06 -0.17 0.00 -0.77 0.00 0.00 57.85 56.99 3cx5 n ARG 146 Cb 0.24 -1.25 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 3cx5 n ARG 146 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3cx5 s VAL 147 N -2.56 0.87 -0.11 1.55 -7.23 -0.70 -4.81 120.40 107.41 3cx5 s VAL 147 Ca -0.04 -0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 3cx5 s VAL 147 Cb 0.05 -0.83 -0.27 0.00 0.56 0.00 0.00 36.38 35.90 3cx5 s VAL 147 CO 0.42 -0.13 0.48 0.11 -0.31 0.00 0.00 175.10 175.68 3cx5 h LYS 148 N 4.84 0.27 -4.89 4.82 1.57 -1.83 -3.43 116.57 117.91 3cx5 h LYS 148 Ca -0.37 -0.45 -0.67 0.00 -1.87 0.00 0.00 60.65 57.29 3cx5 h LYS 148 Cb 1.19 0.17 -0.35 0.00 0.08 0.00 0.00 32.23 33.32 3cx5 h LYS 148 CO 0.43 1.22 -0.78 0.34 -0.57 0.00 0.00 179.45 180.09 3cx5 s ASP 149 N -7.08 4.29 0.62 0.86 -1.08 -1.26 -5.00 116.67 108.01 3cx5 s ASP 149 Ca -0.21 -1.14 0.25 0.00 -0.52 0.00 0.00 52.55 50.93 3cx5 s ASP 149 Cb 0.06 -1.59 1.18 0.00 -1.46 0.00 0.00 42.92 41.11 3cx5 s ASP 149 CO 0.77 -0.16 1.64 1.55 0.52 0.00 0.00 175.17 179.49 3cx5 h PRO 150 N 7.89 0.00 0.00 4.34 0.13 -1.96 0.26 132.00 142.66 3cx5 h PRO 150 Ca -0.27 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 3cx5 h PRO 150 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3cx5 h PRO 150 CO 0.53 0.00 -0.32 0.37 -0.23 0.00 0.00 178.00 178.35 3cx5 h GLN 151 N 0.00 0.00 -4.76 0.86 4.15 -1.94 -3.43 115.11 109.99 3cx5 h GLN 151 Ca 0.21 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.96 3cx5 h GLN 151 Cb 1.60 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 28.93 3cx5 h GLN 151 CO -0.00 0.32 -0.73 -1.58 -1.93 0.00 0.00 178.83 174.90 3cx5 s TRP 152 N -3.13 3.44 -0.33 3.99 0.52 0.91 -0.53 118.94 123.80 3cx5 s TRP 152 Ca 0.04 -2.44 -0.20 0.00 0.02 0.00 0.00 56.10 53.52 3cx5 s TRP 152 Cb 0.07 -2.38 -0.00 0.00 -1.15 0.00 0.00 33.47 30.01 3cx5 s TRP 152 CO 0.71 -0.89 0.60 -1.17 0.02 0.00 0.00 176.95 176.21 3cx5 s LEU 153 N 1.08 4.23 -0.17 2.99 2.96 -0.27 -4.59 118.68 124.90 3cx5 s LEU 153 Ca -0.01 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3cx5 s LEU 153 Cb -0.20 -2.74 0.03 0.00 0.50 0.00 0.00 46.19 43.78 3cx5 s LEU 153 CO -0.05 -0.52 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.69 3cx5 s ILE 154 N 2.58 1.72 0.19 6.68 1.01 -1.26 -1.05 121.20 131.07 3cx5 s ILE 154 Ca 0.23 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.91 3cx5 s ILE 154 Cb -0.15 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.71 3cx5 s ILE 154 CO 0.13 0.40 0.49 0.00 0.00 0.00 0.00 174.94 175.97 3cx5 s MET 155 N 1.41 1.35 -0.05 2.79 0.23 -0.28 -4.49 119.30 120.26 3cx5 s MET 155 Ca 0.03 -0.90 -0.30 0.00 -1.03 0.00 0.00 55.69 53.49 3cx5 s MET 155 Cb -0.14 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 3cx5 s MET 155 CO -0.11 -0.56 1.07 -0.51 -2.03 0.00 0.00 175.02 172.88 3cx5 s LEU 156 N -2.88 4.29 -0.74 0.18 1.43 0.34 0.12 118.68 121.42 3cx5 s LEU 156 Ca 0.10 1.68 -0.07 0.00 -1.03 0.00 0.00 54.13 54.81 3cx5 s LEU 156 Cb -0.00 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.53 3cx5 s LEU 156 CO -0.03 -0.45 3.16 0.61 0.23 0.00 0.00 176.35 179.88 3cx5 n GLY 157 N 3.14 3.84 3.00 -3.19 0.00 0.14 -4.34 105.19 107.77 3cx5 n GLY 157 Ca 0.09 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 3cx5 n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cx5 s ILE 158 N 0.69 1.84 0.21 -0.61 -1.09 -1.26 -4.28 121.20 116.71 3cx5 s ILE 158 Ca 0.65 -1.47 -0.32 0.00 -2.23 0.00 0.00 60.65 57.28 3cx5 s ILE 158 Cb 0.27 -2.06 -0.13 0.00 -1.58 0.00 0.00 42.46 38.96 3cx5 s ILE 158 CO -0.06 -0.11 1.50 0.00 -1.23 0.00 0.00 174.94 175.04 3cx5 n THR 160 N 2.60 0.18 0.00 0.00 -2.24 -1.26 -1.93 114.28 111.62 3cx5 n THR 160 Ca 0.14 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 3cx5 n THR 160 Cb 0.31 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3cx5 n THR 160 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3cx5 n HIS 161 N -1.27 0.00 -1.56 4.78 -0.00 -1.26 -4.44 115.22 111.46 3cx5 n HIS 161 Ca 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.90 3cx5 n HIS 161 Cb 0.20 -0.14 0.10 0.00 -0.00 0.00 0.00 29.99 30.14 3cx5 n HIS 161 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3cx5 n LEU 162 N -0.92 1.55 0.00 0.27 4.77 -1.26 -4.99 117.00 116.42 3cx5 n LEU 162 Ca 0.00 -2.46 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 3cx5 n LEU 162 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3cx5 n LEU 162 CO 0.00 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3cx5 n GLY 163 N -0.77 0.76 3.74 -0.72 0.00 -0.81 -5.03 105.19 102.35 3cx5 n GLY 163 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3cx5 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cx5 s VAL 165 N -3.00 5.14 0.48 0.00 1.01 -1.26 -0.17 120.40 122.60 3cx5 s VAL 165 Ca 0.63 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.28 3cx5 s VAL 165 Cb -0.17 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 3cx5 s VAL 165 CO 0.56 -0.21 1.33 -2.84 0.00 0.00 0.00 175.10 173.94 3cx5 s PRO 166 N 2.06 3.52 -0.01 2.72 0.02 -1.26 -4.75 135.00 137.29 3cx5 s PRO 166 Ca 0.12 2.19 -0.24 0.00 0.02 0.00 0.00 61.00 63.09 3cx5 s PRO 166 Cb -0.17 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.84 3cx5 s PRO 166 CO 0.12 -0.88 0.73 0.42 -0.33 0.00 0.00 177.00 177.06 3cx5 s ILE 167 N -1.31 4.89 0.53 2.83 1.01 0.10 -4.82 121.20 124.45 3cx5 s ILE 167 Ca 0.65 1.52 -0.19 0.00 0.00 0.00 0.00 60.65 62.63 3cx5 s ILE 167 Cb -0.39 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 37.95 3cx5 s ILE 167 CO 0.48 0.31 1.08 -0.83 0.00 0.00 0.00 174.94 175.98 3cx5 s GLY 168 N 0.33 2.48 -1.33 6.18 0.00 -1.26 -1.48 107.32 112.24 3cx5 s GLY 168 Ca 0.38 0.66 -0.01 0.00 0.00 0.00 0.00 44.72 45.75 3cx5 s GLY 168 CO 0.20 0.99 0.61 1.18 0.00 0.00 0.00 173.10 176.09 3cx5 n GLU 169 N -1.34 -4.25 -3.99 2.90 1.02 -0.24 -4.92 120.64 109.82 3cx5 n GLU 169 Ca 0.10 0.55 -0.10 0.00 -0.02 0.00 0.00 57.16 57.69 3cx5 n GLU 169 Cb 0.52 -4.94 -0.07 0.00 -0.02 0.00 0.00 31.44 26.93 3cx5 n GLU 169 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cx5 s ALA 170 N -3.76 0.06 0.00 0.62 0.00 -0.55 -4.98 121.76 113.15 3cx5 s ALA 170 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3cx5 s ALA 170 Cb -0.01 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.06 3cx5 s ALA 170 CO 0.84 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.33 3cx5 n GLY 171 N -0.25 0.34 0.72 0.00 0.00 -1.26 -3.01 105.19 101.72 3cx5 n GLY 171 Ca -0.05 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 44.07 3cx5 n GLY 171 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cx5 n ASP 172 N -0.18 2.19 -0.73 1.61 8.00 -1.26 -4.28 116.55 121.91 3cx5 n ASP 172 Ca 0.00 -1.76 0.05 0.00 0.71 0.00 0.00 54.79 53.79 3cx5 n ASP 172 Cb 0.00 -0.09 0.19 0.00 -0.02 0.00 0.00 41.12 41.20 3cx5 n ASP 172 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3cx5 n PHE 173 N 0.68 0.08 -2.11 1.24 3.01 -1.26 -4.99 117.46 114.11 3cx5 n PHE 173 Ca 0.17 -1.43 -0.18 0.00 1.01 0.00 0.00 57.45 57.02 3cx5 n PHE 173 Cb 0.43 -0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 3cx5 n PHE 173 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cx5 n GLY 174 N -0.96 0.24 0.00 1.37 0.00 -1.26 -3.76 105.19 100.81 3cx5 n GLY 174 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3cx5 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cx5 n GLY 175 N -0.74 2.21 3.39 -0.02 0.00 -1.21 -4.12 105.19 104.70 3cx5 n GLY 175 Ca -0.20 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 3cx5 n GLY 175 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cx5 s TRP 176 N 1.57 2.09 -0.06 1.61 0.51 -0.43 -1.08 118.94 123.15 3cx5 s TRP 176 Ca 0.00 -0.40 0.01 0.00 -2.12 0.00 0.00 56.10 53.58 3cx5 s TRP 176 Cb 0.00 -1.03 0.02 0.00 -0.81 0.00 0.00 33.47 31.65 3cx5 s TRP 176 CO 0.00 0.44 -0.05 0.12 -0.51 0.00 0.00 176.95 176.94 3cx5 s PHE 177 N -1.88 0.95 -0.32 -1.98 5.36 -0.55 -0.65 117.98 118.91 3cx5 s PHE 177 Ca 0.19 -0.33 -0.19 0.00 -0.96 0.00 0.00 56.93 55.64 3cx5 s PHE 177 Cb -0.07 -0.83 -0.01 0.00 -0.34 0.00 0.00 43.02 41.77 3cx5 s PHE 177 CO 0.09 -0.28 0.56 0.00 -1.46 0.00 0.00 175.22 174.13 3cx5 n PRO 179 N 5.77 0.16 -0.00 0.00 -0.04 -1.26 -2.01 135.00 137.62 3cx5 n PRO 179 Ca -0.03 0.34 -0.13 0.00 -0.04 0.00 0.00 63.50 63.64 3cx5 n PRO 179 Cb 0.49 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 32.09 3cx5 n PRO 179 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cx5 n HIS 181 N -4.91 0.00 -2.55 0.00 8.25 -1.26 -5.06 115.22 109.69 3cx5 n HIS 181 Ca -0.08 -0.01 -0.04 0.00 -0.26 0.00 0.00 57.72 57.33 3cx5 n HIS 181 Cb 0.18 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.27 3cx5 n HIS 181 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cx5 n GLY 182 N -0.02 0.55 3.79 -1.41 0.00 -0.85 -4.58 105.19 102.67 3cx5 n GLY 182 Ca 0.00 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 3cx5 n GLY 182 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cx5 s SER 183 N -3.12 6.95 -0.14 1.61 0.01 -1.19 -4.19 113.70 113.63 3cx5 s SER 183 Ca 0.07 1.13 -0.02 0.00 1.31 0.00 0.00 55.95 58.44 3cx5 s SER 183 Cb -0.03 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 3cx5 s SER 183 CO 0.13 0.19 -0.09 -1.00 0.41 0.00 0.00 173.24 172.89 3cx5 s HIS 184 N -0.57 2.91 0.06 2.43 0.09 0.17 -0.64 115.29 119.74 3cx5 s HIS 184 Ca 0.29 -0.48 0.08 0.00 -0.00 0.00 0.00 55.06 54.94 3cx5 s HIS 184 Cb -0.18 -1.90 -0.03 0.00 -0.00 0.00 0.00 32.58 30.47 3cx5 s HIS 184 CO 0.16 -0.13 -0.20 0.71 -0.00 0.00 0.00 174.74 175.28 3cx5 s TYR 185 N 0.36 2.50 0.32 1.40 1.51 0.17 0.05 117.35 123.66 3cx5 s TYR 185 Ca -0.08 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 3cx5 s TYR 185 Cb -0.15 -1.42 0.07 0.00 -0.11 0.00 0.00 41.96 40.35 3cx5 s TYR 185 CO 0.04 0.25 0.44 -0.40 -1.11 0.00 0.00 175.55 174.78 3cx5 n ASP 186 N 1.45 0.35 0.00 2.29 5.68 -0.28 -1.31 116.55 124.73 3cx5 n ASP 186 Ca -0.16 -1.35 0.04 0.00 -0.50 0.00 0.00 54.79 52.82 3cx5 n ASP 186 Cb 0.52 -0.31 0.26 0.00 -1.14 0.00 0.00 41.12 40.45 3cx5 n ASP 186 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cx5 n ILE 187 N -2.24 0.00 0.21 2.12 0.13 -1.25 0.17 119.36 118.51 3cx5 n ILE 187 Ca 0.06 0.00 0.02 0.00 -1.10 0.00 0.00 62.75 61.74 3cx5 n ILE 187 Cb 0.23 -0.85 0.01 0.00 -0.84 0.00 0.00 39.64 38.19 3cx5 n ILE 187 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 3cx5 n SER 188 N -0.99 1.26 0.00 9.51 2.88 -1.26 -4.90 113.62 120.11 3cx5 n SER 188 Ca 0.07 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 3cx5 n SER 188 Cb 0.03 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 3cx5 n SER 188 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cx5 n GLY 189 N 0.39 0.43 3.82 0.46 0.00 0.13 -4.91 105.19 105.51 3cx5 n GLY 189 Ca 0.03 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 3cx5 n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cx5 s ARG 190 N -1.20 4.22 0.01 1.61 0.52 -1.26 -0.86 118.95 121.99 3cx5 s ARG 190 Ca 0.00 0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 55.79 3cx5 s ARG 190 Cb 0.00 -2.70 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 3cx5 s ARG 190 CO 0.00 0.29 1.24 -1.50 0.02 0.00 0.00 175.30 175.35 3cx5 s ILE 191 N -1.70 4.03 -0.06 1.52 1.10 -1.26 -1.12 121.20 123.71 3cx5 s ILE 191 Ca 0.48 1.42 0.05 0.00 -0.51 0.00 0.00 60.65 62.09 3cx5 s ILE 191 Cb -0.15 -3.91 -0.07 0.00 0.15 0.00 0.00 42.46 38.48 3cx5 s ILE 191 CO 0.20 0.05 0.01 0.54 -2.11 0.00 0.00 174.94 173.63 3cx5 n ARG 192 N 4.63 2.74 -3.55 3.50 5.12 0.11 -4.36 116.66 124.85 3cx5 n ARG 192 Ca 0.10 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.85 3cx5 n ARG 192 Cb 0.46 -1.15 -0.06 0.00 -1.16 0.00 0.00 32.46 30.54 3cx5 n ARG 192 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3cx5 s LYS 193 N -2.14 1.01 0.00 5.56 2.20 -1.16 -4.94 119.74 120.26 3cx5 s LYS 193 Ca -0.04 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 3cx5 s LYS 193 Cb 0.02 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.82 3cx5 s LYS 193 CO 0.24 -0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 3cx5 n GLY 194 N 1.25 0.98 0.26 5.54 0.00 -1.26 0.42 105.19 112.38 3cx5 n GLY 194 Ca -0.18 -2.20 0.17 0.00 0.00 0.00 0.00 46.02 43.80 3cx5 n GLY 194 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cx5 h PRO 195 N 0.00 0.00 -6.73 1.61 0.13 -1.83 -3.46 132.00 121.72 3cx5 h PRO 195 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3cx5 h PRO 195 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 3cx5 h PRO 195 CO 0.00 0.00 0.95 0.00 -0.23 0.00 0.00 178.00 178.72 3cx5 s ALA 196 N -3.64 3.85 -0.24 -0.56 0.00 -1.26 -4.82 121.76 115.08 3cx5 s ALA 196 Ca 0.01 1.59 0.20 0.00 0.00 0.00 0.00 51.96 53.77 3cx5 s ALA 196 Cb 0.09 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.58 3cx5 s ALA 196 CO 0.51 -0.97 1.14 -1.00 0.00 0.00 0.00 175.76 175.45 3cx5 h PRO 197 N 5.79 0.00 -5.07 0.00 0.13 -1.88 -3.47 132.00 127.49 3cx5 h PRO 197 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.33 3cx5 h PRO 197 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 3cx5 h PRO 197 CO 0.87 0.12 -0.69 -0.51 -0.23 0.00 0.00 178.00 177.56 3cx5 s LEU 198 N -5.74 2.40 0.70 1.56 1.43 -1.26 -4.59 118.68 113.18 3cx5 s LEU 198 Ca 0.01 -1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 51.88 3cx5 s LEU 198 Cb 0.08 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 46.01 3cx5 s LEU 198 CO 0.77 -0.40 1.11 0.20 0.23 0.00 0.00 176.35 178.26 3cx5 s ASN 199 N -3.22 4.87 0.23 2.29 0.01 -1.26 -4.46 114.94 113.41 3cx5 s ASN 199 Ca 0.21 1.96 -0.32 0.00 -0.71 0.00 0.00 52.86 54.00 3cx5 s ASN 199 Cb 0.04 -2.54 -0.12 0.00 0.41 0.00 0.00 41.25 39.03 3cx5 s ASN 199 CO 0.03 -1.79 1.63 0.18 -1.51 0.00 0.00 177.10 175.64 3cx5 n LEU 200 N -2.78 3.89 -4.77 0.60 4.77 -0.04 -4.90 117.00 113.76 3cx5 n LEU 200 Ca 0.10 1.10 -0.41 0.00 -0.03 0.00 0.00 56.01 56.77 3cx5 n LEU 200 Cb 0.52 -1.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.06 3cx5 n LEU 200 CO 0.49 0.03 1.10 -0.70 -1.33 0.00 0.00 177.39 176.99 3cx5 s GLU 201 N 0.38 4.18 -0.27 3.23 2.12 -1.26 -4.81 118.70 122.27 3cx5 s GLU 201 Ca 0.71 2.47 -0.11 0.00 0.36 0.00 0.00 54.97 58.39 3cx5 s GLU 201 Cb -0.54 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 3cx5 s GLU 201 CO 0.41 -0.45 0.19 0.42 -0.54 0.00 0.00 175.26 175.29 3cx5 s ILE 202 N -0.96 5.31 0.53 -3.70 -1.09 -1.26 -0.50 121.20 119.52 3cx5 s ILE 202 Ca 0.53 0.20 -0.07 0.00 -2.23 0.00 0.00 60.65 59.09 3cx5 s ILE 202 Cb -0.45 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 3cx5 s ILE 202 CO 0.58 0.27 0.86 -2.16 -1.23 0.00 0.00 174.94 173.26 3cx5 s PRO 203 N 1.58 3.50 0.29 2.79 0.04 -1.26 -4.96 135.00 136.97 3cx5 s PRO 203 Ca 0.08 0.32 -0.29 0.00 0.04 0.00 0.00 61.00 61.14 3cx5 s PRO 203 Cb -0.15 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 3cx5 s PRO 203 CO 0.09 -0.34 1.31 0.00 0.04 0.00 0.00 177.00 178.09 3cx5 s ALA 204 N -2.88 3.51 0.21 8.56 0.00 -1.26 -4.94 121.76 124.98 3cx5 s ALA 204 Ca 0.50 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 53.45 3cx5 s ALA 204 Cb -0.10 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.58 3cx5 s ALA 204 CO 0.47 -0.59 0.65 1.52 0.00 0.00 0.00 175.76 177.81 3cx5 s TYR 205 N -0.74 -0.35 -0.03 0.00 1.13 -1.26 -1.26 117.35 114.83 3cx5 s TYR 205 Ca 0.51 0.02 -0.11 0.00 -1.41 0.00 0.00 57.07 56.09 3cx5 s TYR 205 Cb -0.39 0.61 0.02 0.00 -1.10 0.00 0.00 41.96 41.10 3cx5 s TYR 205 CO 0.48 -1.02 0.24 -1.21 -2.51 0.00 0.00 175.55 171.52 3cx5 s GLU 206 N -3.83 0.51 0.24 -3.49 8.01 -0.74 -5.00 118.70 114.40 3cx5 s GLU 206 Ca 0.06 -0.11 -0.09 0.00 0.01 0.00 0.00 54.97 54.84 3cx5 s GLU 206 Cb -0.03 0.23 -0.07 0.00 -4.31 0.00 0.00 34.13 29.95 3cx5 s GLU 206 CO -0.03 -0.12 0.55 -0.06 0.01 0.00 0.00 175.26 175.60 3cx5 s PHE 207 N -0.96 3.44 -0.34 1.61 0.40 -1.26 -0.67 117.98 120.20 3cx5 s PHE 207 Ca -0.10 0.82 0.05 0.00 -0.60 0.00 0.00 56.93 57.10 3cx5 s PHE 207 Cb -0.05 -2.22 0.17 0.00 0.51 0.00 0.00 43.02 41.43 3cx5 s PHE 207 CO 0.02 0.25 0.51 0.34 0.70 0.00 0.00 175.22 177.04 3cx5 s ASP 208 N -2.52 -0.48 1.45 1.36 -1.08 0.56 -4.93 116.67 111.03 3cx5 s ASP 208 Ca 0.47 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 3cx5 s ASP 208 Cb -0.11 1.46 0.00 0.00 -1.46 0.00 0.00 42.92 42.81 3cx5 s ASP 208 CO 0.23 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.26 3cx5 n GLY 209 N 4.88 2.79 1.96 2.66 0.00 -1.26 -2.35 105.19 113.87 3cx5 n GLY 209 Ca 0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 3cx5 n GLY 209 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cx5 n ASP 210 N 8.13 4.62 -3.95 1.61 8.00 -1.26 -4.96 116.55 128.75 3cx5 n ASP 210 Ca 0.00 -3.28 -0.09 0.00 0.71 0.00 0.00 54.79 52.13 3cx5 n ASP 210 Cb 0.00 -0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 40.27 3cx5 n ASP 210 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3cx5 s LYS 211 N -3.04 0.85 -0.01 -1.24 -2.85 -0.99 -0.78 119.74 111.69 3cx5 s LYS 211 Ca 0.55 -1.10 0.06 0.00 -1.00 0.00 0.00 55.97 54.48 3cx5 s LYS 211 Cb 0.44 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 36.50 3cx5 s LYS 211 CO 0.13 -0.26 -0.20 0.54 0.10 0.00 0.00 175.35 175.66 3cx5 s VAL 212 N -3.91 1.55 -0.27 1.79 0.11 -0.75 -0.32 120.40 118.60 3cx5 s VAL 212 Ca 0.09 -0.89 -0.05 0.00 -2.93 0.00 0.00 61.98 58.20 3cx5 s VAL 212 Cb 0.06 -1.30 0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3cx5 s VAL 212 CO -0.08 0.39 0.03 0.27 -3.33 0.00 0.00 175.10 172.39 3cx5 s ILE 213 N -0.52 3.68 -0.17 7.04 -4.36 0.16 -1.93 121.20 125.10 3cx5 s ILE 213 Ca 0.07 -0.71 -0.15 0.00 -0.26 0.00 0.00 60.65 59.60 3cx5 s ILE 213 Cb -0.08 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 3cx5 s ILE 213 CO -0.00 0.16 0.37 -0.69 0.24 0.00 0.00 174.94 175.01 3cx5 s VAL 214 N 1.46 5.24 0.00 8.37 1.01 -0.04 -1.79 120.40 134.66 3cx5 s VAL 214 Ca 0.03 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3cx5 s VAL 214 Cb -0.17 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3cx5 s VAL 214 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.03