#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s ILE 2 N 0.00 2.69 -0.08 0.53 1.09 -1.26 -4.99 121.20 119.19 3cx5 s ILE 2 Ca 0.00 0.10 0.02 0.00 -1.10 0.00 0.00 60.65 59.67 3cx5 s ILE 2 Cb 0.00 -3.06 -0.02 0.00 -1.06 0.00 0.00 42.46 38.31 3cx5 s ILE 2 CO 0.00 -0.00 -0.13 -1.83 -0.10 0.00 0.00 174.94 172.87 3cx5 s GLU 3 N 3.09 2.79 -0.26 2.79 -1.05 -1.26 -4.72 118.70 120.08 3cx5 s GLU 3 Ca 0.82 -0.68 -0.07 0.00 -0.15 0.00 0.00 54.97 54.89 3cx5 s GLU 3 Cb -0.45 -2.47 -0.02 0.00 -0.44 0.00 0.00 34.13 30.76 3cx5 s GLU 3 CO 0.37 0.50 0.06 -0.51 0.95 0.00 0.00 175.26 176.63 3cx5 s LEU 4 N -0.41 3.48 -0.57 1.83 1.02 -1.26 -2.19 118.68 120.59 3cx5 s LEU 4 Ca 0.05 -0.37 -0.20 0.00 0.02 0.00 0.00 54.13 53.62 3cx5 s LEU 4 Cb -0.12 -1.89 0.07 0.00 0.02 0.00 0.00 46.19 44.27 3cx5 s LEU 4 CO 0.02 -0.08 0.75 -0.89 0.02 0.00 0.00 176.35 176.17 3cx5 s THR 5 N 1.57 4.70 -0.73 5.49 2.01 0.16 -4.20 115.64 124.64 3cx5 s THR 5 Ca 0.05 -0.56 -0.24 0.00 0.31 0.00 0.00 61.69 61.25 3cx5 s THR 5 Cb -0.16 -4.46 0.06 0.00 0.01 0.00 0.00 72.50 67.95 3cx5 s THR 5 CO 0.02 -1.06 1.13 -1.10 -0.69 0.00 0.00 174.62 172.92 3cx5 s GLN 6 N 3.05 3.20 -0.09 4.92 -0.21 -1.26 -2.34 119.66 126.93 3cx5 s GLN 6 Ca 0.17 -0.66 0.03 0.00 0.02 0.00 0.00 55.36 54.91 3cx5 s GLN 6 Cb -0.20 -4.32 -0.01 0.00 1.00 0.00 0.00 33.01 29.48 3cx5 s GLN 6 CO 0.10 -1.98 -0.18 -0.08 -2.12 0.00 0.00 175.29 171.04 3cx5 s THR 7 N 4.73 2.69 0.16 -0.19 -1.32 -1.07 -4.24 115.64 116.39 3cx5 s THR 7 Ca 0.29 -0.82 -0.03 0.00 -1.21 0.00 0.00 61.69 59.92 3cx5 s THR 7 Cb -0.12 -2.06 0.04 0.00 -1.51 0.00 0.00 72.50 68.85 3cx5 s THR 7 CO 0.10 0.56 0.21 -0.81 -2.21 0.00 0.00 174.62 172.47 3cx5 n PRO 8 N 3.06 -0.28 -4.71 7.08 -0.04 -1.26 -1.79 135.00 137.06 3cx5 n PRO 8 Ca -0.18 -0.33 -0.26 0.00 -0.04 0.00 0.00 63.50 62.70 3cx5 n PRO 8 Cb 0.52 -0.22 -0.16 0.00 -0.04 0.00 0.00 33.50 33.60 3cx5 n PRO 8 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3cx5 s VAL 9 N -1.46 1.30 -1.20 0.52 1.01 -1.26 -4.76 120.40 114.54 3cx5 s VAL 9 Ca 0.12 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3cx5 s VAL 9 Cb -0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3cx5 s VAL 9 CO 0.09 0.39 0.73 -1.20 0.00 0.00 0.00 175.10 175.10 3cx5 n SER 10 N 3.59 -3.87 -4.75 3.32 7.64 -1.26 -4.94 113.62 113.36 3cx5 n SER 10 Ca -0.21 -0.94 -0.40 0.00 1.01 0.00 0.00 58.87 58.32 3cx5 n SER 10 Cb 0.52 -3.66 -0.04 0.00 -1.01 0.00 0.00 64.21 60.02 3cx5 n SER 10 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3cx5 s LEU 11 N -6.47 4.54 -0.02 -3.43 2.96 -1.22 -4.85 118.68 110.18 3cx5 s LEU 11 Ca 0.31 2.19 -0.04 0.00 -0.22 0.00 0.00 54.13 56.37 3cx5 s LEU 11 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3cx5 s LEU 11 CO 0.84 -0.15 0.19 0.00 -1.32 0.00 0.00 176.35 175.92 3cx5 s ALA 12 N -0.86 3.93 0.32 5.97 0.00 -1.26 -2.36 121.76 127.50 3cx5 s ALA 12 Ca 0.46 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 3cx5 s ALA 12 Cb -0.31 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 20.91 3cx5 s ALA 12 CO 0.38 0.71 0.66 0.00 0.00 0.00 0.00 175.76 177.52 3cx5 s ALA 13 N -1.27 -0.61 0.65 0.00 0.00 -0.21 -4.98 121.76 115.33 3cx5 s ALA 13 Ca 0.25 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.49 3cx5 s ALA 13 Cb -0.13 0.87 0.09 0.00 0.00 0.00 0.00 23.12 23.96 3cx5 s ALA 13 CO 0.16 -0.95 0.90 -1.12 0.00 0.00 0.00 175.76 174.74 3cx5 s SER 14 N -3.03 4.75 -0.89 0.00 0.01 -1.26 -3.14 113.70 110.14 3cx5 s SER 14 Ca 0.17 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 57.12 3cx5 s SER 14 Cb -0.04 -0.32 0.08 0.00 0.21 0.00 0.00 66.02 65.96 3cx5 s SER 14 CO 0.11 -1.55 2.60 0.18 0.41 0.00 0.00 173.24 174.98 3cx5 n LEU 15 N -2.61 7.26 0.00 2.44 4.32 -1.26 -4.07 117.00 123.08 3cx5 n LEU 15 Ca 0.12 -4.46 0.00 0.00 -0.02 0.00 0.00 56.01 51.65 3cx5 n LEU 15 Cb 0.60 -1.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.10 3cx5 n LEU 15 CO 0.43 1.90 0.00 0.61 -1.22 0.00 0.00 177.39 179.11 3cx5 n GLY 16 N 1.36 0.05 3.93 -0.72 0.00 -1.26 -4.08 105.19 104.47 3cx5 n GLY 16 Ca 0.56 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.28 3cx5 n GLY 16 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3cx5 s ASP 17 N 0.00 3.18 0.81 1.61 3.84 -1.26 -4.20 116.67 120.66 3cx5 s ASP 17 Ca 0.00 0.29 -0.09 0.00 -0.00 0.00 0.00 52.55 52.75 3cx5 s ASP 17 Cb 0.00 -0.36 0.13 0.00 -1.38 0.00 0.00 42.92 41.32 3cx5 s ASP 17 CO 0.00 -2.69 1.14 0.00 -0.00 0.00 0.00 175.17 173.61 3cx5 s ARG 18 N -5.88 1.45 0.16 2.11 1.04 -1.25 -2.64 118.95 113.95 3cx5 s ARG 18 Ca 0.73 -0.53 -0.22 0.00 -1.04 0.00 0.00 55.73 54.68 3cx5 s ARG 18 Cb -0.04 -2.08 0.06 0.00 -2.04 0.00 0.00 34.95 30.86 3cx5 s ARG 18 CO 0.53 -1.76 0.59 0.54 -0.04 0.00 0.00 175.30 175.15 3cx5 s VAL 19 N -3.48 0.01 -0.23 4.99 0.11 -1.24 -4.94 120.40 115.61 3cx5 s VAL 19 Ca 0.67 -0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.49 3cx5 s VAL 19 Cb -0.07 -1.06 0.07 0.00 -1.53 0.00 0.00 36.38 33.80 3cx5 s VAL 19 CO 0.48 -0.03 0.57 -0.89 -3.33 0.00 0.00 175.10 171.91 3cx5 s THR 20 N -3.76 -0.01 0.29 5.04 2.01 -1.26 -2.76 115.64 115.19 3cx5 s THR 20 Ca 0.02 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.15 3cx5 s THR 20 Cb -0.01 -0.83 -0.06 0.00 0.01 0.00 0.00 72.50 71.61 3cx5 s THR 20 CO -0.12 0.02 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.07 3cx5 s ILE 21 N 1.47 2.11 0.08 1.82 1.01 -1.08 -4.71 121.20 121.89 3cx5 s ILE 21 Ca -0.09 -2.25 -0.03 0.00 0.00 0.00 0.00 60.65 58.28 3cx5 s ILE 21 Cb -0.06 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 3cx5 s ILE 21 CO -0.16 -0.34 0.04 -0.94 0.00 0.00 0.00 174.94 173.55 3cx5 s SER 22 N -3.50 0.36 -0.16 3.58 1.04 -0.74 -1.47 113.70 112.82 3cx5 s SER 22 Ca 0.30 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.72 3cx5 s SER 22 Cb 0.00 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.43 3cx5 s SER 22 CO 0.14 -0.66 0.07 0.00 0.98 0.00 0.00 173.24 173.76 3cx5 s ARG 24 N 2.06 3.80 0.18 0.00 3.52 -0.99 -2.45 118.95 125.07 3cx5 s ARG 24 Ca 0.02 -0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 55.17 3cx5 s ARG 24 Cb -0.16 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 3cx5 s ARG 24 CO -0.08 -0.05 0.41 0.00 -0.81 0.00 0.00 175.30 174.77 3cx5 s ALA 25 N 1.27 3.77 -1.22 6.12 0.00 -1.08 -0.66 121.76 129.96 3cx5 s ALA 25 Ca 0.05 -0.61 0.30 0.00 0.00 0.00 0.00 51.96 51.70 3cx5 s ALA 25 Cb -0.15 -2.13 1.39 0.00 0.00 0.00 0.00 23.12 22.24 3cx5 s ALA 25 CO 0.04 0.56 2.00 -1.13 0.00 0.00 0.00 175.76 177.23 3cx5 n SER 26 N -0.21 0.00 -4.16 0.00 3.41 -0.93 -4.85 113.62 106.88 3cx5 n SER 26 Ca -0.03 0.16 -0.11 0.00 -0.26 0.00 0.00 58.87 58.63 3cx5 n SER 26 Cb 0.52 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.99 3cx5 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3cx5 s GLN 27 N -2.78 1.18 -0.19 4.33 0.74 -1.26 -4.98 119.66 116.70 3cx5 s GLN 27 Ca 0.22 -1.54 -0.29 0.00 0.05 0.00 0.00 55.36 53.80 3cx5 s GLN 27 Cb 0.20 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.60 3cx5 s GLN 27 CO 0.49 -0.39 1.04 0.34 -0.55 0.00 0.00 175.29 176.22 3cx5 s ASP 28 N -3.12 7.14 -0.13 6.67 -1.08 -1.26 -4.84 116.67 120.06 3cx5 s ASP 28 Ca 0.34 1.43 0.02 0.00 -0.52 0.00 0.00 52.55 53.82 3cx5 s ASP 28 Cb 0.06 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.99 3cx5 s ASP 28 CO 0.09 -0.61 -0.19 0.27 0.52 0.00 0.00 175.17 175.26 3cx5 s ILE 29 N 2.85 1.81 0.00 4.11 -4.36 -0.97 -5.06 121.20 119.58 3cx5 s ILE 29 Ca 0.46 -0.83 0.00 0.00 -0.26 0.00 0.00 60.65 60.02 3cx5 s ILE 29 Cb -0.16 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.93 3cx5 s ILE 29 CO 0.10 0.50 0.51 0.59 0.24 0.00 0.00 174.94 176.88 3cx5 n ASN 30 N 4.14 0.00 0.00 4.36 4.13 -1.26 -3.92 115.26 122.71 3cx5 n ASN 30 Ca -0.19 0.51 0.00 0.00 1.68 0.00 0.00 54.58 56.58 3cx5 n ASN 30 Cb 0.51 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3cx5 n ASN 30 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3cx5 n ASN 31 N -0.96 0.00 -4.12 6.41 4.13 -1.26 -3.26 115.26 116.20 3cx5 n ASN 31 Ca 0.00 -1.00 -0.36 0.00 1.68 0.00 0.00 54.58 54.90 3cx5 n ASN 31 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 3cx5 n ASN 31 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3cx5 n PHE 32 N 0.00 2.32 -3.74 3.10 3.72 -1.26 -2.03 117.46 119.57 3cx5 n PHE 32 Ca 0.00 -1.63 -0.13 0.00 -0.05 0.00 0.00 57.45 55.63 3cx5 n PHE 32 Cb 0.45 -2.17 -0.14 0.00 -0.94 0.00 0.00 39.48 36.69 3cx5 n PHE 32 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3cx5 s LEU 33 N 6.13 0.55 0.48 4.37 0.20 -1.26 -2.48 118.68 126.68 3cx5 s LEU 33 Ca 0.63 0.39 0.06 0.00 0.69 0.00 0.00 54.13 55.89 3cx5 s LEU 33 Cb 0.07 0.50 -0.01 0.00 -0.43 0.00 0.00 46.19 46.31 3cx5 s LEU 33 CO 0.13 -0.16 0.24 0.20 -0.29 0.00 0.00 176.35 176.47 3cx5 s ASN 34 N 1.28 4.48 -0.04 3.68 0.02 -0.23 -1.00 114.94 123.13 3cx5 s ASN 34 Ca -0.09 -1.22 -0.01 0.00 -1.02 0.00 0.00 52.86 50.53 3cx5 s ASN 34 Cb -0.11 0.00 0.03 0.00 0.02 0.00 0.00 41.25 41.19 3cx5 s ASN 34 CO -0.07 -0.80 0.02 0.26 0.02 0.00 0.00 177.10 176.53 3cx5 s TRP 35 N -2.70 0.30 -0.04 2.20 0.52 0.58 -2.87 118.94 116.91 3cx5 s TRP 35 Ca 0.33 0.06 0.04 0.00 0.02 0.00 0.00 56.10 56.55 3cx5 s TRP 35 Cb 0.01 -0.53 -0.02 0.00 -1.15 0.00 0.00 33.47 31.78 3cx5 s TRP 35 CO 0.19 -0.20 -0.16 0.71 0.02 0.00 0.00 176.95 177.51 3cx5 s TYR 36 N 1.69 2.64 -0.46 -1.98 2.02 0.00 -0.78 117.35 120.48 3cx5 s TYR 36 Ca -0.01 -0.20 -0.16 0.00 -0.37 0.00 0.00 57.07 56.34 3cx5 s TYR 36 Cb -0.13 -1.61 0.06 0.00 -0.40 0.00 0.00 41.96 39.89 3cx5 s TYR 36 CO -0.03 0.15 0.39 -1.14 -1.57 0.00 0.00 175.55 173.35 3cx5 s GLN 37 N -0.71 2.99 -0.88 -0.62 0.74 0.62 -1.67 119.66 120.12 3cx5 s GLN 37 Ca 0.11 -1.25 -0.17 0.00 0.05 0.00 0.00 55.36 54.10 3cx5 s GLN 37 Cb -0.10 -4.10 0.16 0.00 1.10 0.00 0.00 33.01 30.06 3cx5 s GLN 37 CO 0.00 -0.98 1.00 -1.14 -0.55 0.00 0.00 175.29 173.62 3cx5 s GLN 38 N 1.71 3.58 0.80 1.67 -0.44 0.93 -1.56 119.66 126.35 3cx5 s GLN 38 Ca 0.05 -1.96 -0.14 0.00 -2.50 0.00 0.00 55.36 50.81 3cx5 s GLN 38 Cb -0.23 -4.73 0.06 0.00 -1.64 0.00 0.00 33.01 26.48 3cx5 s GLN 38 CO 0.08 -1.61 1.09 1.63 0.50 0.00 0.00 175.29 176.98 3cx5 n LYS 39 N 5.73 0.21 -0.31 1.67 4.76 0.58 -1.82 118.16 128.98 3cx5 n LYS 39 Ca 0.19 0.14 0.08 0.00 -2.87 0.00 0.00 58.31 55.85 3cx5 n LYS 39 Cb 0.48 -2.35 0.29 0.00 -1.84 0.00 0.00 35.03 31.61 3cx5 n LYS 39 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3cx5 h PRO 40 N -0.82 0.88 0.00 1.97 0.11 -1.88 -0.89 132.00 131.37 3cx5 h PRO 40 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3cx5 h PRO 40 Cb 1.31 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3cx5 h PRO 40 CO 0.45 0.58 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 3cx5 n ASP 41 N -4.56 0.00 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.58 3cx5 n ASP 41 Ca 0.17 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 3cx5 n ASP 41 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3cx5 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cx5 n GLY 42 N 0.65 0.78 3.59 6.12 0.00 -0.34 -5.05 105.19 110.95 3cx5 n GLY 42 Ca 0.12 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3cx5 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cx5 s THR 43 N -2.00 4.83 -0.24 2.61 2.01 -1.24 -4.85 115.64 116.76 3cx5 s THR 43 Ca 0.00 0.89 -0.08 0.00 0.31 0.00 0.00 61.69 62.81 3cx5 s THR 43 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 3cx5 s THR 43 CO 0.00 -0.29 0.09 -0.51 -0.69 0.00 0.00 174.62 173.23 3cx5 s ILE 44 N 2.86 4.68 0.08 1.82 2.07 -1.26 -0.31 121.20 131.14 3cx5 s ILE 44 Ca 0.29 -0.05 0.09 0.00 -1.41 0.00 0.00 60.65 59.56 3cx5 s ILE 44 Cb -0.14 -3.17 -0.03 0.00 0.13 0.00 0.00 42.46 39.24 3cx5 s ILE 44 CO 0.14 0.36 -0.23 -0.54 -1.91 0.00 0.00 174.94 172.76 3cx5 s LYS 45 N 1.26 1.37 0.17 3.50 1.02 -0.60 -4.95 119.74 121.52 3cx5 s LYS 45 Ca 0.05 -1.12 -0.30 0.00 0.02 0.00 0.00 55.97 54.63 3cx5 s LYS 45 Cb -0.14 -1.62 -0.07 0.00 -0.52 0.00 0.00 37.83 35.47 3cx5 s LYS 45 CO 0.04 0.40 0.98 -1.17 -0.92 0.00 0.00 175.35 174.68 3cx5 s LEU 46 N -1.59 4.56 -0.04 3.17 2.96 -1.26 -0.27 118.68 126.20 3cx5 s LEU 46 Ca 0.09 1.91 -0.05 0.00 -0.22 0.00 0.00 54.13 55.86 3cx5 s LEU 46 Cb -0.10 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 3cx5 s LEU 46 CO 0.03 -0.01 -0.12 0.18 -1.32 0.00 0.00 176.35 175.12 3cx5 n LEU 47 N 2.19 0.99 -4.04 -0.68 4.77 0.04 -4.75 117.00 115.51 3cx5 n LEU 47 Ca 0.01 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 3cx5 n LEU 47 Cb 0.48 -0.36 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 3cx5 n LEU 47 CO 0.51 -0.18 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.34 3cx5 s ILE 48 N -2.23 0.64 0.07 -0.08 -1.09 -1.11 -1.20 121.20 116.21 3cx5 s ILE 48 Ca -0.11 -0.67 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 3cx5 s ILE 48 Cb 0.03 -0.60 -0.03 0.00 -1.58 0.00 0.00 42.46 40.27 3cx5 s ILE 48 CO 0.15 -0.04 -0.07 -0.72 -1.23 0.00 0.00 174.94 173.03 3cx5 s TYR 49 N -0.66 0.80 -1.17 3.97 1.13 0.84 -0.31 117.35 121.95 3cx5 s TYR 49 Ca -0.01 -0.74 -0.17 0.00 -1.41 0.00 0.00 57.07 54.74 3cx5 s TYR 49 Cb -0.06 -0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 40.32 3cx5 s TYR 49 CO 0.00 -0.12 0.76 0.98 -2.51 0.00 0.00 175.55 174.66 3cx5 n TYR 50 N 0.59 -1.92 0.00 -3.49 4.19 -1.09 -1.59 117.16 113.85 3cx5 n TYR 50 Ca -0.17 0.53 0.00 0.00 3.31 0.00 0.00 57.90 61.57 3cx5 n TYR 50 Cb 0.58 -3.57 0.00 0.00 0.49 0.00 0.00 39.34 36.84 3cx5 n TYR 50 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 3cx5 n THR 51 N -4.15 0.00 0.00 2.97 5.66 -0.17 -3.57 114.28 115.02 3cx5 n THR 51 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3cx5 n THR 51 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 3cx5 n THR 51 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3cx5 n SER 52 N 0.00 1.72 -4.68 1.09 3.41 -1.22 -2.89 113.62 111.04 3cx5 n SER 52 Ca 0.00 -0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.16 3cx5 n SER 52 Cb 0.00 0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 3cx5 n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3cx5 s ARG 53 N -0.74 4.24 0.30 4.33 0.52 -0.62 -4.36 118.95 122.62 3cx5 s ARG 53 Ca 0.00 2.05 -0.23 0.00 -0.52 0.00 0.00 55.73 57.03 3cx5 s ARG 53 Cb 0.00 -3.67 -0.09 0.00 0.52 0.00 0.00 34.95 31.70 3cx5 s ARG 53 CO 0.00 -0.67 0.86 -0.51 0.02 0.00 0.00 175.30 175.01 3cx5 s LEU 54 N 2.84 4.29 0.57 2.53 1.02 -1.26 -0.11 118.68 128.56 3cx5 s LEU 54 Ca 0.67 1.66 -0.06 0.00 0.02 0.00 0.00 54.13 56.41 3cx5 s LEU 54 Cb -0.33 -3.93 -0.00 0.00 0.02 0.00 0.00 46.19 41.95 3cx5 s LEU 54 CO 0.27 -0.07 0.89 -2.28 0.02 0.00 0.00 176.35 175.18 3cx5 s HIS 55 N -1.66 3.35 0.28 0.29 5.65 -0.34 -4.90 115.29 117.96 3cx5 s HIS 55 Ca 0.49 0.73 -0.30 0.00 0.25 0.00 0.00 55.06 56.22 3cx5 s HIS 55 Cb -0.17 -2.65 -0.11 0.00 -1.18 0.00 0.00 32.58 28.47 3cx5 s HIS 55 CO 0.21 -0.70 1.60 0.00 -0.65 0.00 0.00 174.74 175.20 3cx5 s ALA 56 N -2.95 3.76 0.00 1.58 0.00 -1.26 -2.79 121.76 120.09 3cx5 s ALA 56 Ca 0.53 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.04 3cx5 s ALA 56 Cb -0.11 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3cx5 s ALA 56 CO 0.46 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3cx5 n GLY 57 N 2.36 3.14 3.70 0.00 0.00 -1.26 -5.03 105.19 108.10 3cx5 n GLY 57 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3cx5 n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cx5 s VAL 58 N -2.01 3.82 0.87 1.61 -7.23 -1.12 -4.99 120.40 111.35 3cx5 s VAL 58 Ca 0.00 1.24 -0.13 0.00 -1.81 0.00 0.00 61.98 61.28 3cx5 s VAL 58 Cb 0.00 -3.80 0.05 0.00 0.56 0.00 0.00 36.38 33.19 3cx5 s VAL 58 CO 0.00 0.03 0.70 -2.65 -0.31 0.00 0.00 175.10 172.87 3cx5 n PRO 59 N 4.82 -0.10 0.00 4.82 -0.02 -1.26 -4.88 135.00 138.38 3cx5 n PRO 59 Ca 0.12 0.03 0.08 0.00 -2.02 0.00 0.00 63.50 61.70 3cx5 n PRO 59 Cb 0.44 -2.05 0.45 0.00 -0.02 0.00 0.00 33.50 32.33 3cx5 n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cx5 n SER 60 N -1.95 0.00 0.11 2.55 3.41 -1.26 -2.93 113.62 113.55 3cx5 n SER 60 Ca 0.10 -0.23 -0.03 0.00 -0.26 0.00 0.00 58.87 58.44 3cx5 n SER 60 Cb 0.52 -0.14 0.09 0.00 -0.26 0.00 0.00 64.21 64.41 3cx5 n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3cx5 h ARG 61 N 0.00 0.03 -6.93 4.33 3.08 -1.97 -3.45 114.38 109.48 3cx5 h ARG 61 Ca 0.00 -0.03 -0.46 0.00 0.07 0.00 0.00 59.98 59.56 3cx5 h ARG 61 Cb 0.08 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3cx5 h ARG 61 CO 0.00 0.74 0.31 -0.06 -1.07 0.00 0.00 179.97 179.89 3cx5 s PHE 62 N -3.38 3.51 -0.10 3.04 0.08 -1.15 -1.49 117.98 118.48 3cx5 s PHE 62 Ca -0.01 1.65 -0.13 0.00 0.12 0.00 0.00 56.93 58.55 3cx5 s PHE 62 Cb 0.12 -2.85 0.03 0.00 -0.57 0.00 0.00 43.02 39.75 3cx5 s PHE 62 CO 0.78 0.08 0.35 -1.12 -0.10 0.00 0.00 175.22 175.21 3cx5 s SER 63 N -1.90 -0.33 0.05 1.36 0.01 -0.29 -4.99 113.70 107.60 3cx5 s SER 63 Ca 0.55 0.56 0.07 0.00 1.31 0.00 0.00 55.95 58.44 3cx5 s SER 63 Cb -0.14 0.62 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 3cx5 s SER 63 CO 0.19 -0.21 -0.18 -0.83 0.41 0.00 0.00 173.24 172.62 3cx5 s GLY 64 N -0.20 1.58 0.23 3.44 0.00 -1.26 -1.77 107.32 109.34 3cx5 s GLY 64 Ca -0.03 -1.20 -0.20 0.00 0.00 0.00 0.00 44.72 43.28 3cx5 s GLY 64 CO 0.02 -1.10 0.63 -1.35 0.00 0.00 0.00 173.10 171.30 3cx5 s SER 65 N -1.49 -0.32 0.00 1.64 1.04 -1.14 -4.45 113.70 108.98 3cx5 s SER 65 Ca 0.15 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3cx5 s SER 65 Cb -0.11 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3cx5 s SER 65 CO 0.06 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3cx5 n GLY 66 N -0.41 2.73 3.52 7.32 0.00 -1.26 -1.25 105.19 115.83 3cx5 n GLY 66 Ca -0.08 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 3cx5 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cx5 s SER 67 N 0.00 -0.43 0.00 1.61 1.04 -0.90 -4.92 113.70 110.11 3cx5 s SER 67 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 3cx5 s SER 67 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3cx5 s SER 67 CO 0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3cx5 n GLY 68 N -0.34 2.24 0.00 7.32 0.00 -1.20 -3.52 105.19 109.69 3cx5 n GLY 68 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3cx5 n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cx5 n THR 69 N 0.00 0.00 -3.91 2.61 5.66 -1.26 -2.29 114.28 115.09 3cx5 n THR 69 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 3cx5 n THR 69 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 3cx5 n THR 69 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3cx5 s ASP 70 N -0.36 5.77 0.37 1.09 1.01 -1.23 -2.62 116.67 120.70 3cx5 s ASP 70 Ca 0.00 0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.40 3cx5 s ASP 70 Cb 0.00 -2.00 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 3cx5 s ASP 70 CO 0.00 0.16 0.12 -0.31 0.21 0.00 0.00 175.17 175.35 3cx5 s TYR 71 N 0.46 1.79 0.17 4.23 1.51 -1.03 -2.12 117.35 122.36 3cx5 s TYR 71 Ca 0.04 -1.23 -0.21 0.00 -1.01 0.00 0.00 57.07 54.66 3cx5 s TYR 71 Cb -0.12 -1.13 0.05 0.00 -0.11 0.00 0.00 41.96 40.65 3cx5 s TYR 71 CO 0.00 -0.27 0.57 0.45 -1.11 0.00 0.00 175.55 175.19 3cx5 s SER 72 N -3.54 -0.44 -0.31 2.29 0.15 -0.38 -2.86 113.70 108.60 3cx5 s SER 72 Ca 0.28 -0.19 -0.02 0.00 0.70 0.00 0.00 55.95 56.72 3cx5 s SER 72 Cb 0.04 0.59 0.11 0.00 -1.71 0.00 0.00 66.02 65.05 3cx5 s SER 72 CO 0.15 -1.01 0.13 -0.22 1.20 0.00 0.00 173.24 173.49 3cx5 s LEU 73 N -2.80 1.41 0.12 3.45 1.98 -0.54 -2.93 118.68 119.38 3cx5 s LEU 73 Ca 0.04 -1.62 -0.03 0.00 -2.89 0.00 0.00 54.13 49.63 3cx5 s LEU 73 Cb -0.01 -0.61 -0.05 0.00 0.66 0.00 0.00 46.19 46.18 3cx5 s LEU 73 CO -0.09 -0.40 0.33 -0.89 -1.89 0.00 0.00 176.35 173.40 3cx5 s THR 74 N 1.68 5.23 0.01 3.68 2.01 -0.73 -2.65 115.64 124.88 3cx5 s THR 74 Ca 0.11 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.04 3cx5 s THR 74 Cb -0.18 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 3cx5 s THR 74 CO -0.26 0.06 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.01 3cx5 s ILE 75 N -1.62 0.69 0.00 1.82 1.01 -1.11 -1.14 121.20 120.84 3cx5 s ILE 75 Ca 0.39 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3cx5 s ILE 75 Cb -0.12 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3cx5 s ILE 75 CO 0.26 0.02 0.39 -0.24 0.00 0.00 0.00 174.94 175.37 3cx5 n SER 76 N 2.39 0.00 -3.93 3.58 2.88 -0.56 -3.61 113.62 114.36 3cx5 n SER 76 Ca -0.16 0.59 -0.24 0.00 -1.33 0.00 0.00 58.87 57.73 3cx5 n SER 76 Cb 0.56 -0.36 -0.17 0.00 -0.75 0.00 0.00 64.21 63.49 3cx5 n SER 76 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3cx5 s ASN 77 N -2.24 1.70 -0.02 -3.46 2.20 -1.26 -3.74 114.94 108.11 3cx5 s ASN 77 Ca 0.00 -0.24 0.02 0.00 -0.94 0.00 0.00 52.86 51.70 3cx5 s ASN 77 Cb 0.00 -0.71 0.11 0.00 -2.00 0.00 0.00 41.25 38.64 3cx5 s ASN 77 CO 0.00 -0.05 0.76 0.18 -2.94 0.00 0.00 177.10 175.05 3cx5 n LEU 78 N 4.34 1.38 -0.11 3.54 4.32 -1.08 -4.42 117.00 124.97 3cx5 n LEU 78 Ca -0.19 -0.69 -0.05 0.00 -0.02 0.00 0.00 56.01 55.06 3cx5 n LEU 78 Cb 0.51 -0.42 0.01 0.00 -1.62 0.00 0.00 43.42 41.90 3cx5 n LEU 78 CO 0.21 0.26 0.74 -0.08 -1.22 0.00 0.00 177.39 177.30 3cx5 h GLU 79 N 0.55 -0.09 0.00 3.23 4.81 -1.84 -3.40 114.58 117.84 3cx5 h GLU 79 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3cx5 h GLU 79 Cb 0.57 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.97 3cx5 h GLU 79 CO 0.05 -0.06 0.00 -2.30 -0.73 0.00 0.00 179.01 175.97 3cx5 n PRO 80 N -5.35 -1.39 -1.29 0.92 -0.02 -1.26 -4.82 135.00 121.79 3cx5 n PRO 80 Ca 0.02 -0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.09 3cx5 n PRO 80 Cb 0.26 -0.04 -0.02 0.00 -0.02 0.00 0.00 33.50 33.68 3cx5 n PRO 80 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3cx5 n GLU 81 N -1.75 3.26 -0.02 -0.52 0.00 -1.26 -4.53 120.64 115.81 3cx5 n GLU 81 Ca 0.00 -2.14 0.08 0.00 0.00 0.00 0.00 57.16 55.10 3cx5 n GLU 81 Cb 0.01 -2.83 0.41 0.00 0.00 0.00 0.00 31.44 29.03 3cx5 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3cx5 n ASP 82 N 4.21 0.35 -4.56 -1.84 10.43 -1.26 -4.82 116.55 119.06 3cx5 n ASP 82 Ca 0.68 -1.59 -0.38 0.00 2.57 0.00 0.00 54.79 56.07 3cx5 n ASP 82 Cb 0.25 -0.03 -0.03 0.00 1.84 0.00 0.00 41.12 43.15 3cx5 n ASP 82 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3cx5 s ILE 83 N -1.95 3.23 -0.08 0.53 -4.36 -1.26 -4.87 121.20 112.43 3cx5 s ILE 83 Ca 0.23 0.16 -0.32 0.00 -0.26 0.00 0.00 60.65 60.46 3cx5 s ILE 83 Cb 0.11 -3.53 0.13 0.00 1.25 0.00 0.00 42.46 40.43 3cx5 s ILE 83 CO 0.18 -0.48 1.30 0.00 0.24 0.00 0.00 174.94 176.18 3cx5 s ALA 84 N 9.83 -2.23 0.03 2.27 0.00 -1.26 -4.40 121.76 126.00 3cx5 s ALA 84 Ca 0.81 1.02 -0.19 0.00 0.00 0.00 0.00 51.96 53.60 3cx5 s ALA 84 Cb -0.17 0.18 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 3cx5 s ALA 84 CO 0.25 -0.92 0.54 0.99 0.00 0.00 0.00 175.76 176.62 3cx5 s THR 85 N -2.35 4.86 -0.15 0.00 2.01 -0.75 -2.02 115.64 117.24 3cx5 s THR 85 Ca 0.13 1.13 -0.01 0.00 0.31 0.00 0.00 61.69 63.25 3cx5 s THR 85 Cb 0.04 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3cx5 s THR 85 CO -0.04 0.52 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.98 3cx5 s TYR 86 N -0.79 2.86 0.29 4.92 1.51 -1.01 -0.05 117.35 125.08 3cx5 s TYR 86 Ca 0.28 -0.71 0.10 0.00 -1.01 0.00 0.00 57.07 55.73 3cx5 s TYR 86 Cb -0.18 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 3cx5 s TYR 86 CO 0.17 -0.28 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.22 3cx5 s PHE 87 N 0.60 2.57 -0.02 2.71 0.40 -0.67 -2.34 117.98 121.23 3cx5 s PHE 87 Ca -0.06 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 3cx5 s PHE 87 Cb -0.15 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.18 3cx5 s PHE 87 CO 0.03 0.61 -0.01 0.00 0.70 0.00 0.00 175.22 176.55 3cx5 s GLN 89 N 0.56 1.52 0.31 0.00 -2.07 -1.14 -2.67 119.66 116.17 3cx5 s GLN 89 Ca -0.05 -1.69 0.10 0.00 -1.82 0.00 0.00 55.36 51.90 3cx5 s GLN 89 Cb -0.08 -1.47 -0.06 0.00 -1.09 0.00 0.00 33.01 30.32 3cx5 s GLN 89 CO -0.01 0.26 -0.11 -3.38 -1.32 0.00 0.00 175.29 170.73 3cx5 s HIS 90 N -2.73 2.41 -0.01 9.60 -3.43 -1.05 -1.06 115.29 119.01 3cx5 s HIS 90 Ca 0.27 -0.40 0.11 0.00 -0.80 0.00 0.00 55.06 54.24 3cx5 s HIS 90 Cb -0.03 -1.23 0.19 0.00 -1.43 0.00 0.00 32.58 30.09 3cx5 s HIS 90 CO 0.11 0.62 1.08 -2.39 -2.00 0.00 0.00 174.74 172.17 3cx5 n HIS 91 N -0.76 -0.03 0.22 0.38 1.44 -1.03 -4.07 115.22 111.36 3cx5 n HIS 91 Ca -0.05 -0.57 0.11 0.00 -2.01 0.00 0.00 57.72 55.20 3cx5 n HIS 91 Cb 0.61 0.26 0.34 0.00 0.12 0.00 0.00 29.99 31.33 3cx5 n HIS 91 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 3cx5 h ILE 92 N 5.77 0.30 -2.82 0.61 -2.65 -1.98 -3.46 117.51 113.29 3cx5 h ILE 92 Ca -0.42 -1.13 0.02 0.00 1.03 0.00 0.00 64.86 64.35 3cx5 h ILE 92 Cb 1.60 1.90 -0.13 0.00 -2.05 0.00 0.00 36.82 38.14 3cx5 h ILE 92 CO -0.12 0.15 0.28 -0.75 0.03 0.00 0.00 178.15 177.73 3cx5 s LYS 93 N -3.39 1.18 0.21 0.16 2.20 -1.26 -5.13 119.74 113.71 3cx5 s LYS 93 Ca 0.03 -0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 55.07 3cx5 s LYS 93 Cb 0.08 0.54 -0.07 0.00 -1.51 0.00 0.00 37.83 36.86 3cx5 s LYS 93 CO 0.64 -0.52 0.57 -0.06 -0.36 0.00 0.00 175.35 175.63 3cx5 s PHE 94 N -3.60 3.50 0.34 4.03 0.08 -1.26 -4.11 117.98 116.97 3cx5 s PHE 94 Ca 0.02 1.00 -0.14 0.00 0.12 0.00 0.00 56.93 57.93 3cx5 s PHE 94 Cb -0.01 -2.34 -0.09 0.00 -0.57 0.00 0.00 43.02 40.01 3cx5 s PHE 94 CO -0.11 0.32 0.75 -1.25 -0.10 0.00 0.00 175.22 174.83 3cx5 s PRO 95 N -2.46 3.97 0.37 0.24 0.04 -1.26 -5.07 135.00 130.82 3cx5 s PRO 95 Ca 0.44 0.65 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 3cx5 s PRO 95 Cb -0.13 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 3cx5 s PRO 95 CO 0.20 0.11 1.18 -1.58 0.04 0.00 0.00 177.00 176.95 3cx5 s TRP 96 N -2.06 3.15 0.05 0.56 0.51 -1.26 -4.85 118.94 115.05 3cx5 s TRP 96 Ca 0.54 1.55 0.04 0.00 -2.12 0.00 0.00 56.10 56.11 3cx5 s TRP 96 Cb -0.10 -3.42 -0.03 0.00 -0.81 0.00 0.00 33.47 29.11 3cx5 s TRP 96 CO 0.20 -1.28 -0.11 0.99 -0.51 0.00 0.00 176.95 176.24 3cx5 s THR 97 N -1.33 0.81 0.00 2.01 2.01 -1.26 -4.99 115.64 112.89 3cx5 s THR 97 Ca 0.53 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 61.36 3cx5 s THR 97 Cb -0.32 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.36 3cx5 s THR 97 CO 0.41 -0.30 0.00 0.49 -0.69 0.00 0.00 174.62 174.53 3cx5 n PHE 98 N 1.40 -1.26 -3.03 4.92 3.72 -1.26 -2.53 117.46 119.42 3cx5 n PHE 98 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3cx5 n PHE 98 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3cx5 n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cx5 n GLY 99 N 5.00 4.88 0.13 1.37 0.00 -1.09 -4.09 105.19 111.39 3cx5 n GLY 99 Ca 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 46.02 43.97 3cx5 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cx5 h ALA 100 N 0.50 0.69 0.00 4.61 0.00 -1.90 -3.47 119.26 119.68 3cx5 h ALA 100 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cx5 h ALA 100 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3cx5 h ALA 100 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 3cx5 n GLY 101 N 1.25 0.83 3.00 0.00 0.00 -1.26 -4.99 105.19 104.02 3cx5 n GLY 101 Ca -0.01 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.87 3cx5 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cx5 s THR 102 N -1.44 -0.71 -0.26 2.61 2.01 -0.99 -4.66 115.64 112.20 3cx5 s THR 102 Ca 0.00 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 3cx5 s THR 102 Cb 0.00 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 3cx5 s THR 102 CO 0.00 -0.25 1.54 -0.75 -0.69 0.00 0.00 174.62 174.47 3cx5 s LYS 103 N 1.93 3.77 -0.27 4.92 2.20 -1.26 -2.41 119.74 128.62 3cx5 s LYS 103 Ca 0.15 1.49 -0.29 0.00 -0.36 0.00 0.00 55.97 56.96 3cx5 s LYS 103 Cb -0.10 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 3cx5 s LYS 103 CO -0.12 -1.31 1.20 -1.17 -0.36 0.00 0.00 175.35 173.58 3cx5 s LEU 104 N 5.14 3.98 -0.03 5.43 2.96 -0.85 -3.43 118.68 131.87 3cx5 s LEU 104 Ca 0.68 1.27 0.08 0.00 -0.22 0.00 0.00 54.13 55.93 3cx5 s LEU 104 Cb -0.22 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 3cx5 s LEU 104 CO 0.28 -0.91 -0.26 -1.61 -1.32 0.00 0.00 176.35 172.53 3cx5 s GLU 105 N 3.78 2.16 0.10 1.98 2.02 -1.00 -4.07 118.70 123.67 3cx5 s GLU 105 Ca 0.51 -0.91 0.09 0.00 0.02 0.00 0.00 54.97 54.68 3cx5 s GLU 105 Cb -0.16 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 3cx5 s GLU 105 CO 0.17 0.52 -0.20 0.96 0.02 0.00 0.00 175.26 176.73 3cx5 s ILE 106 N -0.52 2.69 0.00 -1.63 -4.36 -1.26 -1.05 121.20 115.07 3cx5 s ILE 106 Ca 0.07 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 3cx5 s ILE 106 Cb -0.11 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.41 3cx5 s ILE 106 CO -0.00 0.17 0.00 1.17 0.24 0.00 0.00 174.94 176.52