#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca5 s SER 2 N 0.00 2.07 0.07 1.09 1.04 -1.26 -3.04 113.70 113.68 3ca5 s SER 2 Ca 0.00 -0.71 -0.13 0.00 0.48 0.00 0.00 55.95 55.58 3ca5 s SER 2 Cb 0.00 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.05 3ca5 s SER 2 CO 0.00 -0.06 0.31 0.72 0.98 0.00 0.00 173.24 175.19 3ca5 s PHE 3 N -1.57 -0.08 -0.02 5.02 -0.71 -1.04 -4.98 117.98 114.61 3ca5 s PHE 3 Ca 0.05 -0.16 0.05 0.00 -1.04 0.00 0.00 56.93 55.83 3ca5 s PHE 3 Cb -0.08 0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.82 3ca5 s PHE 3 CO 0.03 -0.56 -0.17 0.99 -1.34 0.00 0.00 175.22 174.17 3ca5 s THR 4 N -3.14 1.35 0.22 -4.49 2.01 -1.26 -0.59 115.64 109.74 3ca5 s THR 4 Ca -0.01 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 3ca5 s THR 4 Cb 0.01 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 3ca5 s THR 4 CO -0.07 0.38 0.41 -0.13 -0.69 0.00 0.00 174.62 174.52 3ca5 s ARG 5 N -0.37 1.42 0.69 4.92 1.81 -0.07 -4.92 118.95 122.43 3ca5 s ARG 5 Ca 0.06 -1.23 -0.09 0.00 -1.72 0.00 0.00 55.73 52.75 3ca5 s ARG 5 Cb -0.07 0.44 0.03 0.00 -0.45 0.00 0.00 34.95 34.90 3ca5 s ARG 5 CO -0.00 -0.57 1.04 -0.80 -0.68 0.00 0.00 175.30 174.28 3ca5 s ASN 6 N -3.01 5.19 -0.20 0.23 -0.87 -0.47 -0.55 114.94 115.26 3ca5 s ASN 6 Ca 0.21 0.81 0.01 0.00 -1.57 0.00 0.00 52.86 52.32 3ca5 s ASN 6 Cb 0.01 -1.58 0.05 0.00 -0.02 0.00 0.00 41.25 39.71 3ca5 s ASN 6 CO 0.06 -1.41 -0.08 -0.63 -2.57 0.00 0.00 177.10 172.47 3ca5 s ILE 7 N -3.27 1.50 -0.12 0.60 1.01 -1.26 -1.56 121.20 118.10 3ca5 s ILE 7 Ca 0.58 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 3ca5 s ILE 7 Cb -0.11 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 3ca5 s ILE 7 CO 0.48 0.09 0.18 -0.69 0.00 0.00 0.00 174.94 175.00 3ca5 s VAL 8 N 1.45 5.42 0.00 2.92 1.01 0.06 -0.97 120.40 130.29 3ca5 s VAL 8 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3ca5 s VAL 8 Cb -0.17 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3ca5 s VAL 8 CO -0.08 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3ca5 n GLY 9 N 2.28 5.38 3.61 4.51 0.00 0.27 -0.38 105.19 120.87 3ca5 n GLY 9 Ca -0.18 -0.78 -0.56 0.00 0.00 0.00 0.00 46.02 44.50 3ca5 n GLY 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ca5 n ARG 10 N 0.00 0.85 -1.51 1.61 0.63 -1.26 -0.15 116.66 116.82 3ca5 n ARG 10 Ca 0.00 0.31 -0.18 0.00 -0.92 0.00 0.00 57.85 57.06 3ca5 n ARG 10 Cb 0.00 -1.92 -0.08 0.00 0.45 0.00 0.00 32.46 30.91 3ca5 n ARG 10 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3ca5 n ASP 11 N 3.06 -5.38 0.00 6.15 10.43 -1.26 -2.04 116.55 127.51 3ca5 n ASP 11 Ca 0.21 0.44 0.00 0.00 2.57 0.00 0.00 54.79 58.01 3ca5 n ASP 11 Cb 0.14 -4.56 0.00 0.00 1.84 0.00 0.00 41.12 38.54 3ca5 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ca5 n GLY 12 N -0.21 0.71 3.90 0.44 0.00 0.79 -5.04 105.19 105.77 3ca5 n GLY 12 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3ca5 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca5 s LEU 13 N 0.00 2.98 0.25 0.99 1.43 -0.87 -4.60 118.68 118.87 3ca5 s LEU 13 Ca 0.00 0.94 0.09 0.00 -1.03 0.00 0.00 54.13 54.14 3ca5 s LEU 13 Cb 0.00 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3ca5 s LEU 13 CO 0.00 -1.30 -0.02 0.00 0.23 0.00 0.00 176.35 175.26 3ca5 s VAL 15 N -2.20 4.23 -0.03 0.00 1.01 -0.14 -1.52 120.40 121.74 3ca5 s VAL 15 Ca 0.30 1.55 -0.01 0.00 0.00 0.00 0.00 61.98 63.82 3ca5 s VAL 15 Cb -0.07 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.34 3ca5 s VAL 15 CO 0.19 -0.02 0.06 -0.62 0.00 0.00 0.00 175.10 174.71 3ca5 s ASP 16 N 1.58 0.01 -0.21 3.32 2.15 0.01 -4.51 116.67 119.02 3ca5 s ASP 16 Ca 0.56 0.11 -0.29 0.00 0.43 0.00 0.00 52.55 53.36 3ca5 s ASP 16 Cb -0.25 0.02 -0.00 0.00 -0.30 0.00 0.00 42.92 42.39 3ca5 s ASP 16 CO 0.21 -0.11 1.16 -0.69 -0.17 0.00 0.00 175.17 175.57 3ca5 s VAL 17 N 0.90 4.46 0.19 1.11 1.01 -0.29 -0.84 120.40 126.93 3ca5 s VAL 17 Ca -0.07 1.75 -0.33 0.00 0.00 0.00 0.00 61.98 63.33 3ca5 s VAL 17 Cb -0.10 -4.17 -0.13 0.00 0.00 0.00 0.00 36.38 31.97 3ca5 s VAL 17 CO -0.03 -0.20 1.55 -1.14 0.00 0.00 0.00 175.10 175.28 3ca5 n ARG 18 N 6.55 2.20 -0.74 2.72 0.63 -0.62 -1.00 116.66 126.41 3ca5 n ARG 18 Ca 0.13 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 3ca5 n ARG 18 Cb 0.46 -2.54 0.00 0.00 0.45 0.00 0.00 32.46 30.83 3ca5 n ARG 18 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3ca5 n ASN 19 N 3.06 -0.52 -0.77 6.15 3.02 -1.26 -2.55 115.26 122.38 3ca5 n ASN 19 Ca 0.15 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.60 3ca5 n ASN 19 Cb 0.30 -1.54 -0.04 0.00 -0.61 0.00 0.00 39.78 37.89 3ca5 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ca5 n GLY 20 N -1.85 1.07 3.78 7.41 0.00 -0.17 -5.02 105.19 110.41 3ca5 n GLY 20 Ca 0.00 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 3ca5 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ca5 s TYR 21 N -2.12 3.38 -0.61 1.61 4.12 -1.06 -4.94 117.35 117.72 3ca5 s TYR 21 Ca 0.00 1.67 0.13 0.00 0.02 0.00 0.00 57.07 58.89 3ca5 s TYR 21 Cb 0.00 -3.16 0.41 0.00 -1.52 0.00 0.00 41.96 37.70 3ca5 s TYR 21 CO 0.00 -0.55 1.34 -0.40 0.02 0.00 0.00 175.55 175.96 3ca5 n ASP 22 N 0.30 3.39 -4.75 2.29 3.85 -1.26 -4.73 116.55 115.64 3ca5 n ASP 22 Ca 0.03 -2.44 -0.41 0.00 -0.71 0.00 0.00 54.79 51.25 3ca5 n ASP 22 Cb 0.48 -0.37 -0.02 0.00 -1.35 0.00 0.00 41.12 39.86 3ca5 n ASP 22 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3ca5 s THR 23 N -1.80 2.39 0.16 2.12 -4.23 -1.26 -4.91 115.64 108.11 3ca5 s THR 23 Ca 0.32 0.34 -0.34 0.00 -1.18 0.00 0.00 61.69 60.83 3ca5 s THR 23 Cb 0.22 -3.22 -0.16 0.00 1.34 0.00 0.00 72.50 70.69 3ca5 s THR 23 CO 0.13 0.06 1.23 0.47 -0.54 0.00 0.00 174.62 175.97 3ca5 n ASP 24 N 1.86 1.56 0.00 3.99 10.43 -1.26 -1.72 116.55 131.41 3ca5 n ASP 24 Ca 0.06 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.55 3ca5 n ASP 24 Cb 0.39 -1.23 0.00 0.00 1.84 0.00 0.00 41.12 42.12 3ca5 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ca5 n GLY 25 N 2.17 0.67 3.72 0.44 0.00 1.00 -5.00 105.19 108.18 3ca5 n GLY 25 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ca5 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ca5 s THR 26 N -2.48 3.33 0.87 2.61 2.01 -0.70 -4.71 115.64 116.58 3ca5 s THR 26 Ca 0.00 0.96 -0.12 0.00 0.31 0.00 0.00 61.69 62.84 3ca5 s THR 26 Cb 0.00 -3.61 0.12 0.00 0.01 0.00 0.00 72.50 69.01 3ca5 s THR 26 CO 0.00 0.08 1.13 -2.16 -0.69 0.00 0.00 174.62 172.98 3ca5 s PRO 27 N 1.04 1.45 0.02 4.92 0.04 -1.26 -0.84 135.00 140.37 3ca5 s PRO 27 Ca 0.64 0.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.01 3ca5 s PRO 27 Cb -0.37 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3ca5 s PRO 27 CO 0.31 -2.00 0.22 -0.51 0.04 0.00 0.00 177.00 175.06 3ca5 s LEU 28 N -5.93 4.36 0.25 -3.56 1.43 -0.53 -1.59 118.68 113.11 3ca5 s LEU 28 Ca 0.63 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 54.11 3ca5 s LEU 28 Cb -0.14 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 3ca5 s LEU 28 CO 0.53 0.23 0.26 0.00 0.23 0.00 0.00 176.35 177.60 3ca5 s GLN 29 N -2.05 1.44 0.17 1.70 -2.07 -0.02 -1.16 119.66 117.67 3ca5 s GLN 29 Ca 0.30 -1.63 -0.21 0.00 -1.82 0.00 0.00 55.36 52.00 3ca5 s GLN 29 Cb -0.13 0.34 -0.08 0.00 -1.09 0.00 0.00 33.01 32.05 3ca5 s GLN 29 CO 0.20 -0.53 0.69 -0.51 -1.32 0.00 0.00 175.29 173.82 3ca5 s LEU 30 N -3.17 4.45 -0.06 2.60 1.43 -0.04 -0.81 118.68 123.09 3ca5 s LEU 30 Ca 0.35 1.41 -0.22 0.00 -1.03 0.00 0.00 54.13 54.64 3ca5 s LEU 30 Cb 0.04 -3.32 0.05 0.00 0.03 0.00 0.00 46.19 42.99 3ca5 s LEU 30 CO 0.15 0.14 0.50 0.86 0.23 0.00 0.00 176.35 178.23 3ca5 s TRP 31 N -1.32 -0.45 0.36 0.29 -0.11 -0.58 -0.61 118.94 116.52 3ca5 s TRP 31 Ca 0.37 0.82 -0.26 0.00 1.22 0.00 0.00 56.10 58.25 3ca5 s TRP 31 Cb -0.19 0.25 -0.12 0.00 -1.50 0.00 0.00 33.47 31.91 3ca5 s TRP 31 CO 0.22 -0.47 1.08 -2.30 -4.62 0.00 0.00 176.95 170.86 3ca5 n PRO 32 N 1.36 1.55 -2.23 5.86 -0.02 -1.26 -0.73 135.00 139.53 3ca5 n PRO 32 Ca -0.19 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.45 3ca5 n PRO 32 Cb 0.56 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 3ca5 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca5 n GLY 34 N 0.70 1.45 0.62 0.00 0.00 -1.26 -5.05 105.19 101.66 3ca5 n GLY 34 Ca 0.03 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 45.08 3ca5 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ca5 n THR 35 N -0.25 0.02 -1.70 2.61 -2.24 -1.26 -4.84 114.28 106.61 3ca5 n THR 35 Ca -0.04 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 61.03 3ca5 n THR 35 Cb 0.27 0.76 0.05 0.00 -2.10 0.00 0.00 70.33 69.31 3ca5 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ca5 n GLN 36 N 0.52 1.39 0.27 -0.78 0.00 -1.26 -4.84 117.38 112.68 3ca5 n GLN 36 Ca 0.18 0.52 0.11 0.00 0.00 0.00 0.00 57.00 57.80 3ca5 n GLN 36 Cb 0.42 -2.44 0.75 0.00 0.00 0.00 0.00 30.24 28.97 3ca5 n GLN 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ca5 h ARG 37 N 1.06 0.00 0.00 2.61 2.47 -1.94 -0.23 114.38 118.35 3ca5 h ARG 37 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 3ca5 h ARG 37 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 3ca5 h ARG 37 CO 0.55 0.01 0.00 0.27 0.56 0.00 0.00 179.97 181.36 3ca5 n ASN 38 N -4.22 0.00 -0.40 7.04 6.94 -1.26 -1.80 115.26 121.56 3ca5 n ASN 38 Ca -0.03 -1.16 0.05 0.00 -0.02 0.00 0.00 54.58 53.42 3ca5 n ASN 38 Cb 0.10 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.58 3ca5 n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca5 n GLN 39 N -0.89 0.86 -3.64 -3.83 6.02 -0.10 -1.14 117.38 114.65 3ca5 n GLN 39 Ca 0.17 -1.25 -0.38 0.00 -0.01 0.00 0.00 57.00 55.54 3ca5 n GLN 39 Cb 0.08 -1.19 -0.12 0.00 1.02 0.00 0.00 30.24 30.04 3ca5 n GLN 39 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ca5 s ARG 40 N -0.82 3.72 -0.15 -1.09 1.81 -0.74 -4.25 118.95 117.42 3ca5 s ARG 40 Ca 0.13 -0.46 -0.00 0.00 -1.72 0.00 0.00 55.73 53.67 3ca5 s ARG 40 Cb 0.08 -3.56 -0.01 0.00 -0.45 0.00 0.00 34.95 31.02 3ca5 s ARG 40 CO 0.12 -0.25 -0.14 -1.58 -0.68 0.00 0.00 175.30 172.77 3ca5 s TRP 41 N 1.69 2.80 -0.23 -0.53 0.52 0.29 -4.37 118.94 119.11 3ca5 s TRP 41 Ca 0.06 -0.90 -0.08 0.00 0.02 0.00 0.00 56.10 55.20 3ca5 s TRP 41 Cb -0.16 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 3ca5 s TRP 41 CO 0.08 -0.39 0.10 0.99 0.02 0.00 0.00 176.95 177.75 3ca5 s THR 42 N 0.69 4.75 -0.22 2.01 2.01 0.54 -0.90 115.64 124.53 3ca5 s THR 42 Ca -0.07 -0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.80 3ca5 s THR 42 Cb -0.15 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 3ca5 s THR 42 CO 0.02 0.36 0.14 -0.36 -0.69 0.00 0.00 174.62 174.09 3ca5 s PHE 43 N 1.20 3.36 0.25 4.92 0.08 0.24 -0.74 117.98 127.29 3ca5 s PHE 43 Ca 0.05 0.27 0.11 0.00 0.12 0.00 0.00 56.93 57.48 3ca5 s PHE 43 Cb -0.14 -2.21 -0.05 0.00 -0.57 0.00 0.00 43.02 40.04 3ca5 s PHE 43 CO 0.04 0.17 -0.19 0.34 -0.10 0.00 0.00 175.22 175.48 3ca5 s ASP 44 N 0.73 3.29 0.42 1.36 2.15 -1.03 -2.50 116.67 121.09 3ca5 s ASP 44 Ca 0.08 -1.01 0.18 0.00 0.43 0.00 0.00 52.55 52.23 3ca5 s ASP 44 Cb -0.12 -0.25 0.96 0.00 -0.30 0.00 0.00 42.92 43.21 3ca5 s ASP 44 CO 0.01 -0.01 1.47 0.77 -0.17 0.00 0.00 175.17 177.25 3ca5 h SER 45 N 2.47 0.00 -0.26 -0.34 4.64 -1.88 0.33 113.55 118.50 3ca5 h SER 45 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3ca5 h SER 45 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3ca5 h SER 45 CO 0.59 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 3ca5 n ASP 46 N -2.29 1.55 -0.46 4.97 5.68 -1.26 -4.92 116.55 119.82 3ca5 n ASP 46 Ca -0.01 -1.90 -0.06 0.00 -0.50 0.00 0.00 54.79 52.31 3ca5 n ASP 46 Cb 0.34 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.12 3ca5 n ASP 46 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3ca5 n ASP 47 N 0.32 -4.12 -4.92 -1.12 8.00 0.12 -4.91 116.55 109.92 3ca5 n ASP 47 Ca 0.12 0.15 -0.26 0.00 0.71 0.00 0.00 54.79 55.50 3ca5 n ASP 47 Cb 0.26 -2.15 -0.01 0.00 -0.02 0.00 0.00 41.12 39.21 3ca5 n ASP 47 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ca5 s THR 48 N -2.09 4.98 -0.12 -3.53 -4.23 -1.25 -1.07 115.64 108.34 3ca5 s THR 48 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 3ca5 s THR 48 Cb 0.00 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 70.02 3ca5 s THR 48 CO 0.00 -0.70 -0.04 -0.63 -0.54 0.00 0.00 174.62 172.71 3ca5 s ILE 49 N -2.53 0.80 0.01 2.99 1.01 -1.26 -2.45 121.20 119.77 3ca5 s ILE 49 Ca 0.45 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.94 3ca5 s ILE 49 Cb -0.10 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 3ca5 s ILE 49 CO 0.40 0.25 -0.24 -0.13 0.00 0.00 0.00 174.94 175.22 3ca5 s ARG 50 N 1.79 1.80 0.00 2.79 0.52 0.08 -0.18 118.95 125.74 3ca5 s ARG 50 Ca 0.04 -0.96 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 3ca5 s ARG 50 Cb -0.13 -1.85 -0.01 0.00 0.52 0.00 0.00 34.95 33.48 3ca5 s ARG 50 CO -0.07 0.49 -0.05 0.45 0.02 0.00 0.00 175.30 176.14 3ca5 s SER 51 N -0.91 0.55 -1.25 0.23 0.15 0.07 -0.34 113.70 112.20 3ca5 s SER 51 Ca 0.10 -0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.59 3ca5 s SER 51 Cb -0.09 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 3ca5 s SER 51 CO 0.01 0.03 0.22 0.23 1.20 0.00 0.00 173.24 174.93 3ca5 n MET 52 N 2.82 -2.89 -0.97 5.44 2.81 -1.26 -1.22 117.12 121.85 3ca5 n MET 52 Ca -0.14 0.64 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 3ca5 n MET 52 Cb 0.58 -5.32 0.00 0.00 -0.71 0.00 0.00 33.22 27.77 3ca5 n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ca5 n GLY 53 N -1.03 0.78 3.63 3.03 0.00 -1.26 -5.01 105.19 105.33 3ca5 n GLY 53 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3ca5 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ca5 s LYS 54 N -0.11 2.00 -0.15 1.61 1.02 -0.36 -4.70 119.74 119.05 3ca5 s LYS 54 Ca 0.00 -2.01 -0.08 0.00 0.02 0.00 0.00 55.97 53.90 3ca5 s LYS 54 Cb 0.00 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 3ca5 s LYS 54 CO 0.00 -0.02 0.13 0.00 -0.92 0.00 0.00 175.35 174.54 3ca5 n MET 56 N 2.51 2.37 -3.93 0.00 1.56 0.74 -1.31 117.12 119.06 3ca5 n MET 56 Ca -0.19 0.86 -0.17 0.00 -0.27 0.00 0.00 57.70 57.94 3ca5 n MET 56 Cb 0.54 -2.71 -0.16 0.00 2.15 0.00 0.00 33.22 33.04 3ca5 n MET 56 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3ca5 s THR 57 N 2.91 0.17 -0.15 1.12 2.01 0.61 -4.46 115.64 117.85 3ca5 s THR 57 Ca 0.86 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 3ca5 s THR 57 Cb -0.62 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3ca5 s THR 57 CO 0.44 0.13 1.38 0.00 -0.69 0.00 0.00 174.62 175.88 3ca5 s ALA 58 N 0.89 3.62 -1.18 7.40 0.00 0.01 -0.89 121.76 131.61 3ca5 s ALA 58 Ca -0.09 0.56 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 3ca5 s ALA 58 Cb -0.12 -3.67 0.23 0.00 0.00 0.00 0.00 23.12 19.56 3ca5 s ALA 58 CO -0.02 -1.30 1.59 -1.71 0.00 0.00 0.00 175.76 174.32 3ca5 n ASN 59 N 6.90 5.64 0.00 0.00 5.15 0.65 -4.72 115.26 128.86 3ca5 n ASN 59 Ca 0.15 -3.19 0.00 0.00 -0.60 0.00 0.00 54.58 50.94 3ca5 n ASN 59 Cb 0.44 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 3ca5 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ca5 n GLY 60 N 2.43 2.49 2.18 8.20 0.00 -1.26 -4.09 105.19 115.13 3ca5 n GLY 60 Ca 0.33 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 3ca5 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ca5 n LEU 61 N 0.00 4.53 -4.66 0.99 4.77 -1.26 -4.78 117.00 116.58 3ca5 n LEU 61 Ca 0.00 -4.65 -0.24 0.00 -0.03 0.00 0.00 56.01 51.09 3ca5 n LEU 61 Cb 0.00 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 3ca5 n LEU 61 CO 0.00 2.02 -0.28 0.20 -1.33 0.00 0.00 177.39 178.01 3ca5 s ASN 62 N -3.60 4.36 -0.13 -1.43 -0.87 -1.26 -4.86 114.94 107.16 3ca5 s ASN 62 Ca 0.48 -0.89 -0.29 0.00 -1.57 0.00 0.00 52.86 50.59 3ca5 s ASN 62 Cb 0.40 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.25 40.94 3ca5 s ASN 62 CO -0.00 -0.23 2.12 -3.20 -2.57 0.00 0.00 177.10 173.22 3ca5 n ASN 63 N -1.00 3.54 0.00 -1.22 5.15 -1.26 -1.17 115.26 119.30 3ca5 n ASN 63 Ca -0.04 0.49 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 3ca5 n ASN 63 Cb 0.62 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 3ca5 n ASN 63 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ca5 n GLY 64 N 5.32 0.56 3.77 8.20 0.00 0.70 -5.01 105.19 118.73 3ca5 n GLY 64 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3ca5 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca5 s SER 65 N -2.20 6.48 0.50 1.61 0.01 -0.32 -4.71 113.70 115.07 3ca5 s SER 65 Ca 0.00 2.93 -0.20 0.00 1.31 0.00 0.00 55.95 59.99 3ca5 s SER 65 Cb 0.00 -2.66 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 3ca5 s SER 65 CO 0.00 -0.77 1.09 0.20 0.41 0.00 0.00 173.24 174.16 3ca5 s ASN 66 N -0.19 6.10 -0.12 2.44 0.01 -1.26 -0.19 114.94 121.74 3ca5 s ASN 66 Ca 0.52 2.07 -0.02 0.00 -0.71 0.00 0.00 52.86 54.72 3ca5 s ASN 66 Cb -0.45 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.61 3ca5 s ASN 66 CO 0.59 -0.95 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.56 3ca5 s ILE 67 N -1.84 3.93 0.30 0.60 1.01 -1.04 -0.25 121.20 123.90 3ca5 s ILE 67 Ca 0.69 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.00 3ca5 s ILE 67 Cb -0.21 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3ca5 s ILE 67 CO 0.24 0.54 0.17 0.68 0.00 0.00 0.00 174.94 176.58 3ca5 s VAL 68 N -0.19 0.26 0.08 2.92 -7.23 -0.07 -1.45 120.40 114.72 3ca5 s VAL 68 Ca 0.04 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 3ca5 s VAL 68 Cb -0.13 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 3ca5 s VAL 68 CO 0.02 0.00 0.41 -0.51 -0.31 0.00 0.00 175.10 174.72 3ca5 s ILE 69 N -3.64 5.07 -0.13 -0.62 1.10 -0.02 -0.28 121.20 122.68 3ca5 s ILE 69 Ca 0.36 0.52 -0.25 0.00 -0.51 0.00 0.00 60.65 60.77 3ca5 s ILE 69 Cb 0.05 -3.66 0.06 0.00 0.15 0.00 0.00 42.46 39.06 3ca5 s ILE 69 CO 0.18 0.31 0.60 0.12 -2.11 0.00 0.00 174.94 174.04 3ca5 s PHE 70 N -1.38 -0.60 -0.25 3.50 5.36 -0.43 -0.00 117.98 124.17 3ca5 s PHE 70 Ca 0.33 1.26 -0.42 0.00 -0.96 0.00 0.00 56.93 57.13 3ca5 s PHE 70 Cb -0.14 0.29 -0.18 0.00 -0.34 0.00 0.00 43.02 42.64 3ca5 s PHE 70 CO 0.18 -0.45 1.48 -1.71 -1.46 0.00 0.00 175.22 173.26 3ca5 n ASN 71 N 1.79 1.29 0.15 6.13 2.85 -1.26 -0.44 115.26 125.77 3ca5 n ASN 71 Ca -0.17 1.14 0.02 0.00 -0.11 0.00 0.00 54.58 55.47 3ca5 n ASN 71 Cb 0.56 -1.00 0.37 0.00 1.24 0.00 0.00 39.78 40.96 3ca5 n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ca5 h SER 73 N 0.13 0.46 0.84 0.00 0.02 -1.97 -3.36 113.55 109.67 3ca5 h SER 73 Ca 0.02 -0.48 -0.12 0.00 -0.84 0.00 0.00 61.79 60.37 3ca5 h SER 73 Cb 0.51 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3ca5 h SER 73 CO 0.04 1.37 -1.24 0.71 -1.14 0.00 0.00 176.83 176.57 3ca5 h THR 74 N 0.09 0.39 -4.26 -2.27 1.35 -1.93 -3.47 112.91 102.81 3ca5 h THR 74 Ca -0.14 -1.76 -0.52 0.00 -0.55 0.00 0.00 66.41 63.44 3ca5 h THR 74 Cb 1.96 1.93 0.16 0.00 -1.73 0.00 0.00 68.15 70.47 3ca5 h THR 74 CO 0.21 0.22 0.30 0.00 -0.25 0.00 0.00 175.52 176.00 3ca5 s ALA 75 N -3.03 1.92 0.26 6.62 0.00 -0.73 -4.97 121.76 121.82 3ca5 s ALA 75 Ca -0.02 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 3ca5 s ALA 75 Cb 0.09 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 3ca5 s ALA 75 CO 0.80 -2.16 1.36 0.00 0.00 0.00 0.00 175.76 175.76 3ca5 s ALA 76 N -2.56 3.56 0.23 0.00 0.00 -1.26 -4.93 121.76 116.81 3ca5 s ALA 76 Ca 0.67 1.24 -0.06 0.00 0.00 0.00 0.00 51.96 53.81 3ca5 s ALA 76 Cb -0.22 -3.51 0.38 0.00 0.00 0.00 0.00 23.12 19.77 3ca5 s ALA 76 CO 0.53 -0.65 1.76 0.93 0.00 0.00 0.00 175.76 178.33 3ca5 h GLU 77 N 4.69 0.51 -0.03 0.00 4.39 -1.93 -0.07 114.58 122.14 3ca5 h GLU 77 Ca -0.46 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.21 3ca5 h GLU 77 Cb 1.22 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3ca5 h GLU 77 CO 0.74 0.33 0.03 -0.91 -1.16 0.00 0.00 179.01 178.05 3ca5 h ASN 78 N 0.52 0.00 0.93 1.42 -0.26 -1.96 -2.57 115.58 113.66 3ca5 h ASN 78 Ca 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.11 3ca5 h ASN 78 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 3ca5 h ASN 78 CO -0.33 0.00 -0.61 0.00 -1.06 0.00 0.00 177.43 175.44 3ca5 h ALA 79 N 1.97 0.61 -0.18 -0.83 0.00 -1.33 -3.35 119.26 116.14 3ca5 h ALA 79 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ca5 h ALA 79 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ca5 h ALA 79 CO -0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3ca5 n ILE 80 N -2.18 0.56 -3.82 0.00 -5.35 -0.97 -0.81 119.36 106.80 3ca5 n ILE 80 Ca 0.03 -0.78 -0.36 0.00 -0.27 0.00 0.00 62.75 61.37 3ca5 n ILE 80 Cb 0.45 0.81 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 3ca5 n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3ca5 s LYS 81 N -0.93 3.84 0.05 6.28 1.02 -1.21 -4.16 119.74 124.63 3ca5 s LYS 81 Ca 0.17 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 55.98 3ca5 s LYS 81 Cb 0.10 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 3ca5 s LYS 81 CO 0.13 0.51 -0.06 -1.58 -0.92 0.00 0.00 175.35 173.44 3ca5 s TRP 82 N -0.26 0.59 0.17 3.18 0.52 -0.23 -4.05 118.94 118.86 3ca5 s TRP 82 Ca 0.11 -0.64 0.07 0.00 0.02 0.00 0.00 56.10 55.66 3ca5 s TRP 82 Cb -0.11 -0.37 -0.04 0.00 -1.15 0.00 0.00 33.47 31.79 3ca5 s TRP 82 CO 0.01 -0.15 -0.14 -1.21 0.02 0.00 0.00 176.95 175.47 3ca5 s GLU 83 N -2.18 1.22 -0.61 4.98 0.41 -0.13 -4.77 118.70 117.61 3ca5 s GLU 83 Ca -0.06 -1.47 0.04 0.00 -0.41 0.00 0.00 54.97 53.08 3ca5 s GLU 83 Cb -0.05 -1.03 0.16 0.00 -1.78 0.00 0.00 34.13 31.42 3ca5 s GLU 83 CO -0.02 0.18 0.40 0.08 -0.49 0.00 0.00 175.26 175.41 3ca5 s VAL 84 N -2.72 2.50 0.78 2.63 1.01 -1.26 -1.58 120.40 121.77 3ca5 s VAL 84 Ca 0.18 -3.77 -0.14 0.00 0.00 0.00 0.00 61.98 58.25 3ca5 s VAL 84 Cb -0.02 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.75 3ca5 s VAL 84 CO 0.05 -0.96 1.16 -2.65 0.00 0.00 0.00 175.10 172.70 3ca5 n PRO 85 N 2.46 0.31 0.29 2.72 -0.02 -1.21 -4.87 135.00 134.68 3ca5 n PRO 85 Ca 0.16 0.18 0.17 0.00 -2.02 0.00 0.00 63.50 61.99 3ca5 n PRO 85 Cb 0.35 -2.40 0.90 0.00 -0.02 0.00 0.00 33.50 32.32 3ca5 n PRO 85 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3ca5 h ILE 86 N -0.68 0.27 0.00 4.25 3.07 -1.99 -0.41 117.51 122.01 3ca5 h ILE 86 Ca -0.47 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.63 3ca5 h ILE 86 Cb 1.31 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 3ca5 h ILE 86 CO 0.46 0.05 0.00 -0.90 -1.05 0.00 0.00 178.15 176.71 3ca5 n ASP 87 N -3.37 0.00 0.00 2.16 3.85 -1.26 -4.89 116.55 113.04 3ca5 n ASP 87 Ca -0.02 -1.29 0.00 0.00 -0.71 0.00 0.00 54.79 52.78 3ca5 n ASP 87 Cb 0.18 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 3ca5 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ca5 n GLY 88 N 0.85 0.77 3.76 6.12 0.00 -0.16 -4.86 105.19 111.67 3ca5 n GLY 88 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3ca5 n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca5 s SER 89 N -2.40 4.08 -0.20 1.61 0.01 -1.25 -0.23 113.70 115.32 3ca5 s SER 89 Ca 0.00 1.50 -0.00 0.00 1.31 0.00 0.00 55.95 58.76 3ca5 s SER 89 Cb 0.00 -2.21 0.05 0.00 0.21 0.00 0.00 66.02 64.07 3ca5 s SER 89 CO 0.00 -2.26 -0.05 -0.63 0.41 0.00 0.00 173.24 170.71 3ca5 s ILE 90 N -3.00 1.30 0.00 1.44 1.01 -1.26 -3.35 121.20 117.34 3ca5 s ILE 90 Ca 0.62 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.42 3ca5 s ILE 90 Cb -0.16 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3ca5 s ILE 90 CO 0.56 0.02 -0.16 -0.51 0.00 0.00 0.00 174.94 174.85 3ca5 s ILE 91 N 1.53 2.94 -0.44 2.92 2.07 -0.61 -0.73 121.20 128.88 3ca5 s ILE 91 Ca -0.02 -0.96 -0.19 0.00 -1.41 0.00 0.00 60.65 58.06 3ca5 s ILE 91 Cb -0.17 -2.20 0.03 0.00 0.13 0.00 0.00 42.46 40.25 3ca5 s ILE 91 CO -0.07 0.45 0.54 0.21 -1.91 0.00 0.00 174.94 174.16 3ca5 s ASN 92 N -1.13 6.25 0.44 4.50 3.84 -0.65 -0.95 114.94 127.24 3ca5 s ASN 92 Ca 0.13 -0.55 0.11 0.00 0.21 0.00 0.00 52.86 52.76 3ca5 s ASN 92 Cb -0.11 -2.27 0.98 0.00 -0.55 0.00 0.00 41.25 39.30 3ca5 s ASN 92 CO 0.03 -0.70 2.05 -0.65 -2.79 0.00 0.00 177.10 175.05 3ca5 h PRO 93 N 8.82 0.41 -0.27 0.43 0.11 -1.88 0.97 132.00 140.59 3ca5 h PRO 93 Ca -0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 3ca5 h PRO 93 Cb 1.10 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3ca5 h PRO 93 CO 0.85 0.27 0.11 1.03 -0.21 0.00 0.00 178.00 180.06 3ca5 h SER 94 N 0.42 0.37 0.80 -2.05 0.87 -1.87 -3.12 113.55 108.97 3ca5 h SER 94 Ca 0.17 -0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 3ca5 h SER 94 Cb 0.14 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3ca5 h SER 94 CO -0.04 0.42 -1.27 -1.54 -0.53 0.00 0.00 176.83 173.88 3ca5 n SER 95 N -4.77 0.81 0.00 6.23 3.41 -1.12 -4.97 113.62 113.20 3ca5 n SER 95 Ca -0.02 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3ca5 n SER 95 Cb 0.12 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3ca5 n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ca5 n GLY 96 N 1.30 0.37 3.90 5.00 0.00 0.32 -5.03 105.19 111.05 3ca5 n GLY 96 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3ca5 n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca5 s LEU 97 N 0.00 3.58 0.12 0.99 1.43 -1.24 -4.60 118.68 118.95 3ca5 s LEU 97 Ca 0.00 1.00 0.08 0.00 -1.03 0.00 0.00 54.13 54.18 3ca5 s LEU 97 Cb 0.00 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 3ca5 s LEU 97 CO 0.00 -0.61 -0.21 0.68 0.23 0.00 0.00 176.35 176.44 3ca5 s VAL 98 N -2.79 1.77 0.11 -1.59 -7.23 -0.31 -1.63 120.40 108.74 3ca5 s VAL 98 Ca 0.48 -1.63 -0.31 0.00 -1.81 0.00 0.00 61.98 58.71 3ca5 s VAL 98 Cb -0.10 -1.65 -0.08 0.00 0.56 0.00 0.00 36.38 35.11 3ca5 s VAL 98 CO 0.46 -0.10 1.44 -0.32 -0.31 0.00 0.00 175.10 176.27 3ca5 s MET 99 N -2.10 4.29 -0.02 4.82 1.75 0.09 -1.56 119.30 126.57 3ca5 s MET 99 Ca 0.09 2.13 0.03 0.00 -1.25 0.00 0.00 55.69 56.69 3ca5 s MET 99 Cb -0.09 -3.29 -0.00 0.00 2.84 0.00 0.00 34.83 34.29 3ca5 s MET 99 CO 0.05 -0.50 -0.10 0.99 -0.65 0.00 0.00 175.02 174.80 3ca5 s THR 100 N 1.35 0.84 -0.51 10.11 2.01 0.95 -4.50 115.64 125.90 3ca5 s THR 100 Ca 0.66 -0.42 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 3ca5 s THR 100 Cb -0.38 -0.73 0.12 0.00 0.01 0.00 0.00 72.50 71.52 3ca5 s THR 100 CO 0.30 0.25 0.43 0.00 -0.69 0.00 0.00 174.62 174.91 3ca5 s ALA 101 N 0.02 3.53 -0.38 7.40 0.00 0.02 -1.56 121.76 130.80 3ca5 s ALA 101 Ca -0.01 -2.51 0.26 0.00 0.00 0.00 0.00 51.96 49.70 3ca5 s ALA 101 Cb -0.07 -3.06 1.02 0.00 0.00 0.00 0.00 23.12 21.01 3ca5 s ALA 101 CO 0.00 -1.95 1.78 -1.35 0.00 0.00 0.00 175.76 174.24 3ca5 h PRO 102 N 8.69 0.00 -4.68 0.00 0.11 -1.86 -3.44 132.00 130.81 3ca5 h PRO 102 Ca -0.26 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.62 3ca5 h PRO 102 Cb 1.09 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.05 3ca5 h PRO 102 CO 0.95 0.00 -0.69 1.03 -0.21 0.00 0.00 178.00 179.08 3ca5 s ARG 103 N -3.36 0.89 0.19 1.05 0.52 -1.26 -5.07 118.95 111.91 3ca5 s ARG 103 Ca 0.04 -1.38 0.25 0.00 -0.52 0.00 0.00 55.73 54.13 3ca5 s ARG 103 Cb 0.09 -0.21 0.60 0.00 0.52 0.00 0.00 34.95 35.95 3ca5 s ARG 103 CO 0.46 -0.04 1.59 0.00 0.02 0.00 0.00 175.30 177.33 3ca5 h ALA 104 N 2.91 0.84 -2.81 2.13 0.00 -1.95 -3.47 119.26 116.92 3ca5 h ALA 104 Ca -0.36 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.03 3ca5 h ALA 104 Cb 1.17 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.06 3ca5 h ALA 104 CO 0.64 0.00 0.51 0.00 0.00 0.00 0.00 179.25 180.40 3ca5 s ALA 105 N -3.14 2.78 0.39 0.00 0.00 -1.26 -4.90 121.76 115.63 3ca5 s ALA 105 Ca 0.09 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.85 3ca5 s ALA 105 Cb 0.12 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.67 3ca5 s ALA 105 CO 0.65 -1.00 0.63 0.43 0.00 0.00 0.00 175.76 176.47 3ca5 n SER 106 N -1.03 -0.51 0.00 0.00 7.64 -1.26 -2.17 113.62 116.28 3ca5 n SER 106 Ca 0.10 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.95 3ca5 n SER 106 Cb 0.48 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 3ca5 n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ca5 n ARG 107 N 0.60 -0.36 -2.02 1.43 1.74 0.22 -4.99 116.66 113.29 3ca5 n ARG 107 Ca 0.12 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 3ca5 n ARG 107 Cb 0.38 -3.40 -0.03 0.00 -1.02 0.00 0.00 32.46 28.39 3ca5 n ARG 107 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ca5 s THR 108 N -2.26 2.73 0.09 0.55 2.01 -0.92 -4.78 115.64 113.06 3ca5 s THR 108 Ca 0.00 0.58 -0.24 0.00 0.31 0.00 0.00 61.69 62.34 3ca5 s THR 108 Cb 0.00 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 69.07 3ca5 s THR 108 CO 0.00 0.08 0.72 -0.63 -0.69 0.00 0.00 174.62 174.10 3ca5 s ILE 109 N 0.34 4.61 0.05 1.82 -1.09 -1.26 -0.86 121.20 124.80 3ca5 s ILE 109 Ca 0.62 1.55 -0.21 0.00 -2.23 0.00 0.00 60.65 60.37 3ca5 s ILE 109 Cb -0.42 -4.07 -0.06 0.00 -1.58 0.00 0.00 42.46 36.33 3ca5 s ILE 109 CO 0.39 0.46 0.64 -0.76 -1.23 0.00 0.00 174.94 174.45 3ca5 s LEU 110 N -0.67 4.48 0.15 2.97 1.43 -0.31 -4.51 118.68 122.22 3ca5 s LEU 110 Ca 0.35 1.30 0.07 0.00 -1.03 0.00 0.00 54.13 54.81 3ca5 s LEU 110 Cb -0.21 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3ca5 s LEU 110 CO 0.23 0.15 -0.14 -0.76 0.23 0.00 0.00 176.35 176.06 3ca5 s LEU 111 N -0.55 2.46 -0.14 1.79 1.43 -0.60 -2.50 118.68 120.56 3ca5 s LEU 111 Ca 0.32 -0.89 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 3ca5 s LEU 111 Cb -0.20 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 3ca5 s LEU 111 CO 0.20 -0.15 0.79 -0.76 0.23 0.00 0.00 176.35 176.65 3ca5 s LEU 112 N -2.77 4.21 0.14 1.79 1.43 0.74 -0.03 118.68 124.19 3ca5 s LEU 112 Ca 0.14 1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 3ca5 s LEU 112 Cb -0.03 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 3ca5 s LEU 112 CO 0.04 -0.31 0.06 -1.61 0.23 0.00 0.00 176.35 174.75 3ca5 s GLU 113 N 1.77 0.96 0.25 1.70 2.02 -0.60 -0.22 118.70 124.58 3ca5 s GLU 113 Ca 0.38 -1.46 -0.30 0.00 0.02 0.00 0.00 54.97 53.60 3ca5 s GLU 113 Cb -0.17 0.19 -0.14 0.00 0.10 0.00 0.00 34.13 34.11 3ca5 s GLU 113 CO 0.14 -0.26 1.21 -0.25 0.02 0.00 0.00 175.26 176.13 3ca5 n ASP 114 N -0.12 1.96 -4.66 -0.19 8.00 -1.26 -1.16 116.55 119.11 3ca5 n ASP 114 Ca -0.05 1.16 -0.43 0.00 0.71 0.00 0.00 54.79 56.18 3ca5 n ASP 114 Cb 0.64 -1.34 -0.02 0.00 -0.02 0.00 0.00 41.12 40.38 3ca5 n ASP 114 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ca5 s ASN 115 N -0.11 6.94 -0.03 -2.24 2.47 -1.26 -4.83 114.94 115.87 3ca5 s ASN 115 Ca 0.65 1.67 0.05 0.00 0.42 0.00 0.00 52.86 55.65 3ca5 s ASN 115 Cb -0.71 -2.54 0.10 0.00 -1.45 0.00 0.00 41.25 36.66 3ca5 s ASN 115 CO 0.55 -0.77 1.07 2.30 -3.72 0.00 0.00 177.10 176.52 3ca5 n ILE 116 N 5.41 1.22 -3.60 -5.21 -5.35 -1.26 -5.00 119.36 105.57 3ca5 n ILE 116 Ca 0.14 -1.28 -0.26 0.00 -0.27 0.00 0.00 62.75 61.08 3ca5 n ILE 116 Cb 0.45 0.33 0.05 0.00 -1.74 0.00 0.00 39.64 38.72 3ca5 n ILE 116 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3ca5 n TYR 117 N -0.60 -2.44 -2.30 4.28 4.02 -1.26 -4.69 117.16 114.16 3ca5 n TYR 117 Ca 0.05 0.85 -0.32 0.00 -0.01 0.00 0.00 57.90 58.47 3ca5 n TYR 117 Cb 0.36 -4.41 -0.03 0.00 -0.02 0.00 0.00 39.34 35.25 3ca5 n TYR 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ca5 s ALA 118 N -3.26 3.08 0.51 -0.72 0.00 -1.26 -4.27 121.76 115.84 3ca5 s ALA 118 Ca 0.56 0.13 0.27 0.00 0.00 0.00 0.00 51.96 52.91 3ca5 s ALA 118 Cb -0.26 -3.11 1.59 0.00 0.00 0.00 0.00 23.12 21.34 3ca5 s ALA 118 CO 0.69 -0.32 2.16 0.00 0.00 0.00 0.00 175.76 178.29 3ca5 h ALA 119 N 0.68 1.48 0.00 0.00 0.00 -1.07 0.19 119.26 120.55 3ca5 h ALA 119 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3ca5 h ALA 119 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ca5 h ALA 119 CO 0.62 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.81 3ca5 n SER 120 N -3.85 0.00 -0.32 0.00 3.41 -0.83 -2.21 113.62 109.83 3ca5 n SER 120 Ca -0.03 0.34 0.05 0.00 -0.26 0.00 0.00 58.87 58.97 3ca5 n SER 120 Cb 0.15 -0.40 0.10 0.00 -0.26 0.00 0.00 64.21 63.80 3ca5 n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ca5 n GLN 121 N -1.40 2.64 -3.69 4.33 6.02 0.05 -0.80 117.38 124.53 3ca5 n GLN 121 Ca 0.03 -2.04 -0.37 0.00 -0.01 0.00 0.00 57.00 54.61 3ca5 n GLN 121 Cb 0.09 -1.28 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 3ca5 n GLN 121 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3ca5 s GLY 122 N -1.47 2.32 0.05 1.08 0.00 -0.94 -4.25 107.32 104.11 3ca5 s GLY 122 Ca 0.18 -0.43 -0.04 0.00 0.00 0.00 0.00 44.72 44.43 3ca5 s GLY 122 CO 0.06 -0.12 0.06 -0.98 0.00 0.00 0.00 173.10 172.12 3ca5 s TRP 123 N -1.06 0.32 -0.07 1.90 0.52 0.68 -4.14 118.94 117.09 3ca5 s TRP 123 Ca 0.19 -0.74 -0.00 0.00 0.02 0.00 0.00 56.10 55.57 3ca5 s TRP 123 Cb -0.14 -0.22 0.02 0.00 -1.15 0.00 0.00 33.47 31.98 3ca5 s TRP 123 CO 0.09 -0.40 -0.03 0.99 0.02 0.00 0.00 176.95 177.61 3ca5 s THR 124 N -3.34 0.58 -0.37 2.01 2.01 0.49 -4.58 115.64 112.44 3ca5 s THR 124 Ca 0.01 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.74 3ca5 s THR 124 Cb 0.03 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.89 3ca5 s THR 124 CO -0.08 0.27 0.66 -0.69 -0.69 0.00 0.00 174.62 174.09 3ca5 s VAL 125 N 1.48 4.86 0.02 3.82 1.01 -1.26 -0.76 120.40 129.57 3ca5 s VAL 125 Ca -0.02 0.55 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 3ca5 s VAL 125 Cb -0.13 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 32.23 3ca5 s VAL 125 CO -0.03 -0.37 0.79 0.28 0.00 0.00 0.00 175.10 175.76 3ca5 s THR 126 N 2.78 0.00 -0.49 3.92 -1.32 -0.60 -4.99 115.64 114.94 3ca5 s THR 126 Ca 0.25 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.96 3ca5 s THR 126 Cb -0.14 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.79 3ca5 s THR 126 CO 0.16 0.00 1.07 0.59 -2.21 0.00 0.00 174.62 174.22 3ca5 n ASN 127 N -0.04 0.65 -4.54 8.08 3.02 -1.26 -1.37 115.26 119.79 3ca5 n ASN 127 Ca -0.12 0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.01 3ca5 n ASN 127 Cb 0.62 0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 40.38 3ca5 n ASN 127 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ca5 s ASN 128 N -4.38 6.40 -0.01 6.41 3.84 -1.26 -4.90 114.94 121.03 3ca5 s ASN 128 Ca 0.02 -0.17 0.14 0.00 0.21 0.00 0.00 52.86 53.07 3ca5 s ASN 128 Cb 0.13 -2.45 0.42 0.00 -0.55 0.00 0.00 41.25 38.80 3ca5 s ASN 128 CO 0.79 -1.21 1.34 1.33 -2.79 0.00 0.00 177.10 176.55 3ca5 n VAL 129 N 6.32 0.72 -4.25 -5.21 0.24 -1.26 -4.83 118.33 110.06 3ca5 n VAL 129 Ca 0.04 -0.65 -0.32 0.00 -2.04 0.00 0.00 64.34 61.37 3ca5 n VAL 129 Cb 0.48 0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 33.02 3ca5 n VAL 129 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ca5 s LYS 130 N -1.44 2.75 0.56 7.34 1.02 -1.26 -4.93 119.74 123.79 3ca5 s LYS 130 Ca 0.32 -0.65 -0.20 0.00 0.02 0.00 0.00 55.97 55.45 3ca5 s LYS 130 Cb 0.17 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 3ca5 s LYS 130 CO 0.20 0.61 1.13 -2.30 -0.92 0.00 0.00 175.35 174.07 3ca5 n PRO 131 N 1.22 1.24 -2.82 -1.68 -0.02 -1.26 -4.95 135.00 126.72 3ca5 n PRO 131 Ca -0.14 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 3ca5 n PRO 131 Cb 0.52 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 3ca5 n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ca5 s ILE 132 N -1.40 4.83 -0.21 4.25 -1.09 -0.96 -4.80 121.20 121.81 3ca5 s ILE 132 Ca 0.73 1.88 -0.05 0.00 -2.23 0.00 0.00 60.65 60.99 3ca5 s ILE 132 Cb -0.43 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.19 3ca5 s ILE 132 CO 0.48 0.23 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.73 3ca5 s VAL 133 N 0.66 3.79 0.02 2.92 1.01 -1.26 0.58 120.40 128.13 3ca5 s VAL 133 Ca 0.46 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 3ca5 s VAL 133 Cb -0.21 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.48 3ca5 s VAL 133 CO 0.26 0.41 0.36 0.00 0.00 0.00 0.00 175.10 176.13 3ca5 s ALA 134 N 1.25 -0.89 0.61 5.51 0.00 -0.43 -1.92 121.76 125.89 3ca5 s ALA 134 Ca 0.03 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 3ca5 s ALA 134 Cb -0.15 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 3ca5 s ALA 134 CO 0.01 -0.37 1.06 -1.12 0.00 0.00 0.00 175.76 175.33 3ca5 s SER 135 N -1.75 5.74 -0.28 0.00 0.01 0.02 -0.95 113.70 116.49 3ca5 s SER 135 Ca -0.08 1.77 0.02 0.00 1.31 0.00 0.00 55.95 58.97 3ca5 s SER 135 Cb -0.02 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.75 3ca5 s SER 135 CO 0.00 -1.20 -0.06 -0.63 0.41 0.00 0.00 173.24 171.76 3ca5 s ILE 136 N -2.56 2.35 -0.16 1.44 1.01 -1.26 -1.25 121.20 120.76 3ca5 s ILE 136 Ca 0.62 -1.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.49 3ca5 s ILE 136 Cb -0.15 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3ca5 s ILE 136 CO 0.40 -0.14 0.12 -0.69 0.00 0.00 0.00 174.94 174.63 3ca5 s VAL 137 N 1.10 5.32 0.00 2.92 1.01 0.14 -0.82 120.40 130.06 3ca5 s VAL 137 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3ca5 s VAL 137 Cb -0.20 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3ca5 s VAL 137 CO -0.05 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3ca5 n GLY 138 N 2.80 5.33 3.60 4.51 0.00 0.95 -0.67 105.19 121.72 3ca5 n GLY 138 Ca -0.18 -1.00 -0.48 0.00 0.00 0.00 0.00 46.02 44.36 3ca5 n GLY 138 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ca5 n TYR 139 N 0.00 1.52 -1.56 1.61 -0.00 -1.25 -0.73 117.16 116.74 3ca5 n TYR 139 Ca 0.00 0.62 -0.19 0.00 -0.00 0.00 0.00 57.90 58.32 3ca5 n TYR 139 Cb 0.00 -2.32 -0.08 0.00 -0.00 0.00 0.00 39.34 36.93 3ca5 n TYR 139 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3ca5 n LYS 140 N 1.77 -1.46 -2.01 2.98 5.02 -1.26 -1.77 118.16 121.43 3ca5 n LYS 140 Ca 0.14 1.18 -0.19 0.00 -2.02 0.00 0.00 58.31 57.42 3ca5 n LYS 140 Cb 0.27 -5.56 -0.04 0.00 -0.02 0.00 0.00 35.03 29.68 3ca5 n LYS 140 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ca5 n GLU 141 N -2.21 -1.43 -2.73 1.97 -0.58 0.09 -5.00 120.64 110.74 3ca5 n GLU 141 Ca -0.19 1.03 -0.23 0.00 -0.42 0.00 0.00 57.16 57.34 3ca5 n GLU 141 Cb 0.66 -5.47 0.02 0.00 -0.57 0.00 0.00 31.44 26.09 3ca5 n GLU 141 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3ca5 s MET 142 N -4.36 2.86 -0.10 3.49 -1.94 -0.73 -4.55 119.30 113.97 3ca5 s MET 142 Ca 0.00 -0.44 -0.02 0.00 -1.71 0.00 0.00 55.69 53.52 3ca5 s MET 142 Cb 0.00 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 3ca5 s MET 142 CO 0.00 -0.52 -0.01 0.00 -0.01 0.00 0.00 175.02 174.48 3ca5 s LEU 144 N -0.59 4.42 -0.01 0.00 2.96 -0.00 -1.11 118.68 124.35 3ca5 s LEU 144 Ca 0.10 2.48 0.02 0.00 -0.22 0.00 0.00 54.13 56.51 3ca5 s LEU 144 Cb -0.12 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 42.95 3ca5 s LEU 144 CO 0.02 -0.55 -0.06 -1.58 -1.32 0.00 0.00 176.35 172.85 3ca5 s GLN 145 N -0.38 0.53 0.33 1.98 0.74 0.58 -4.52 119.66 118.92 3ca5 s GLN 145 Ca 0.56 -0.23 -0.09 0.00 0.05 0.00 0.00 55.36 55.65 3ca5 s GLN 145 Cb -0.38 -0.51 -0.06 0.00 1.10 0.00 0.00 33.01 33.16 3ca5 s GLN 145 CO 0.41 0.14 0.66 -1.54 -0.55 0.00 0.00 175.29 174.41 3ca5 s SER 146 N -0.13 6.55 -0.08 6.67 1.04 -0.16 -1.90 113.70 125.68 3ca5 s SER 146 Ca 0.02 0.99 0.22 0.00 0.48 0.00 0.00 55.95 57.67 3ca5 s SER 146 Cb -0.03 -2.26 0.44 0.00 0.10 0.00 0.00 66.02 64.27 3ca5 s SER 146 CO -0.00 -0.26 1.17 0.59 0.98 0.00 0.00 173.24 175.72 3ca5 n ASN 147 N -0.88 1.36 0.00 7.02 3.02 -1.26 -4.79 115.26 119.74 3ca5 n ASN 147 Ca 0.01 -2.43 0.00 0.00 -0.03 0.00 0.00 54.58 52.13 3ca5 n ASN 147 Cb 0.54 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3ca5 n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ca5 n GLY 148 N 0.00 1.39 3.71 7.41 0.00 -1.26 -4.70 105.19 111.75 3ca5 n GLY 148 Ca 0.10 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3ca5 n GLY 148 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ca5 n GLU 149 N 1.31 2.29 -0.45 1.61 2.13 -1.26 -2.06 120.64 124.21 3ca5 n GLU 149 Ca 0.00 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.63 3ca5 n GLU 149 Cb 0.00 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.25 3ca5 n GLU 149 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3ca5 n ASN 150 N 1.12 0.00 -4.97 4.31 4.13 0.17 -4.97 115.26 115.05 3ca5 n ASN 150 Ca 0.06 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.11 3ca5 n ASN 150 Cb 0.36 -0.88 0.02 0.00 -1.54 0.00 0.00 39.78 37.74 3ca5 n ASN 150 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3ca5 s ASN 151 N -2.82 5.61 0.60 6.41 0.01 -0.88 -4.82 114.94 119.04 3ca5 s ASN 151 Ca 0.00 0.02 -0.16 0.00 -0.71 0.00 0.00 52.86 52.01 3ca5 s ASN 151 Cb 0.00 -1.13 -0.03 0.00 0.41 0.00 0.00 41.25 40.50 3ca5 s ASN 151 CO 0.00 -0.85 1.08 -0.83 -1.51 0.00 0.00 177.10 174.99 3ca5 s GLY 152 N -4.31 2.24 0.47 0.66 0.00 -1.26 -1.18 107.32 103.94 3ca5 s GLY 152 Ca 0.52 0.52 -0.04 0.00 0.00 0.00 0.00 44.72 45.72 3ca5 s GLY 152 CO 0.37 0.86 0.76 -1.34 0.00 0.00 0.00 173.10 173.75 3ca5 s VAL 153 N -2.28 4.78 0.27 1.40 -7.23 -0.95 -4.06 120.40 112.33 3ca5 s VAL 153 Ca 0.66 0.07 -0.21 0.00 -1.81 0.00 0.00 61.98 60.70 3ca5 s VAL 153 Cb -0.19 -3.81 0.05 0.00 0.56 0.00 0.00 36.38 32.99 3ca5 s VAL 153 CO 0.35 -0.76 0.83 -1.66 -0.31 0.00 0.00 175.10 173.55 3ca5 s TRP 154 N -2.71 -0.06 0.05 2.82 -2.14 -0.80 -3.88 118.94 112.22 3ca5 s TRP 154 Ca 0.47 -0.42 -0.20 0.00 2.66 0.00 0.00 56.10 58.62 3ca5 s TRP 154 Cb -0.10 0.73 -0.06 0.00 -3.10 0.00 0.00 33.47 30.93 3ca5 s TRP 154 CO 0.44 -1.20 0.58 -1.64 -2.66 0.00 0.00 176.95 172.46 3ca5 s MET 155 N -3.12 4.24 0.02 3.25 -1.94 -1.26 -0.31 119.30 120.18 3ca5 s MET 155 Ca 0.14 0.74 -0.05 0.00 -1.71 0.00 0.00 55.69 54.80 3ca5 s MET 155 Cb -0.04 -3.27 -0.01 0.00 2.01 0.00 0.00 34.83 33.52 3ca5 s MET 155 CO 0.07 0.56 0.09 -1.21 -0.01 0.00 0.00 175.02 174.52 3ca5 s GLU 156 N -0.83 0.51 0.19 2.03 0.41 -0.26 -4.94 118.70 115.81 3ca5 s GLU 156 Ca 0.30 -0.61 -0.32 0.00 -0.41 0.00 0.00 54.97 53.92 3ca5 s GLU 156 Cb -0.19 0.20 -0.15 0.00 -1.78 0.00 0.00 34.13 32.21 3ca5 s GLU 156 CO 0.18 -0.12 1.24 -0.25 -0.49 0.00 0.00 175.26 175.82 3ca5 n ASP 157 N 1.13 1.76 -4.77 -0.19 8.00 -1.26 -1.06 116.55 120.16 3ca5 n ASP 157 Ca -0.21 1.14 -0.41 0.00 0.71 0.00 0.00 54.79 56.02 3ca5 n ASP 157 Cb 0.57 -1.28 -0.01 0.00 -0.02 0.00 0.00 41.12 40.38 3ca5 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ca5 s GLU 159 N -1.66 0.02 0.44 0.00 8.01 -1.26 -5.03 118.70 119.22 3ca5 s GLU 159 Ca 0.52 0.48 0.19 0.00 0.01 0.00 0.00 54.97 56.17 3ca5 s GLU 159 Cb -0.43 -0.29 1.13 0.00 -4.31 0.00 0.00 34.13 30.23 3ca5 s GLU 159 CO 0.55 -0.28 1.88 0.00 0.01 0.00 0.00 175.26 177.43 3ca5 h ALA 160 N 8.12 2.26 -0.00 5.21 0.00 -2.02 -1.51 119.26 131.31 3ca5 h ALA 160 Ca -0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ca5 h ALA 160 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ca5 h ALA 160 CO 0.21 -0.51 -0.07 0.25 0.00 0.00 0.00 179.25 179.13 3ca5 n THR 161 N -4.47 0.00 -2.79 0.00 -2.24 -1.26 -4.84 114.28 98.67 3ca5 n THR 161 Ca 0.17 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 3ca5 n THR 161 Cb 0.67 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 3ca5 n THR 161 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ca5 s SER 162 N -2.29 6.47 0.42 3.42 0.15 -0.57 -4.88 113.70 116.41 3ca5 s SER 162 Ca 0.34 0.04 0.16 0.00 0.70 0.00 0.00 55.95 57.19 3ca5 s SER 162 Cb 0.21 -2.46 0.92 0.00 -1.71 0.00 0.00 66.02 62.98 3ca5 s SER 162 CO 0.43 -1.13 1.92 -0.07 1.20 0.00 0.00 173.24 175.58 3ca5 h LEU 163 N 10.79 0.00 0.00 3.45 3.38 -1.88 -2.21 115.31 128.84 3ca5 h LEU 163 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ca5 h LEU 163 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ca5 h LEU 163 CO 1.06 0.27 0.00 0.00 0.09 0.00 0.00 178.44 179.86 3ca5 n GLN 164 N -4.09 0.63 -0.12 1.13 6.02 -1.26 -1.65 117.38 118.03 3ca5 n GLN 164 Ca -0.02 0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 3ca5 n GLN 164 Cb 0.33 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.35 3ca5 n GLN 164 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ca5 n GLN 165 N -1.11 2.21 -3.77 -1.09 6.02 -0.83 -0.99 117.38 117.81 3ca5 n GLN 165 Ca 0.17 -1.81 -0.36 0.00 -0.01 0.00 0.00 57.00 54.98 3ca5 n GLN 165 Cb 0.13 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 3ca5 n GLN 165 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca5 s GLN 166 N -1.67 3.97 -0.06 -1.09 -0.21 -0.66 -4.25 119.66 115.68 3ca5 s GLN 166 Ca 0.35 -0.33 0.06 0.00 0.02 0.00 0.00 55.36 55.46 3ca5 s GLN 166 Cb 0.21 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.79 3ca5 s GLN 166 CO 0.30 0.06 -0.25 -1.58 -2.12 0.00 0.00 175.29 171.70 3ca5 s TRP 167 N 1.00 2.45 -0.33 0.91 0.52 -0.12 -1.73 118.94 121.63 3ca5 s TRP 167 Ca 0.06 -0.77 -0.17 0.00 0.02 0.00 0.00 56.10 55.24 3ca5 s TRP 167 Cb -0.14 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.56 3ca5 s TRP 167 CO 0.04 -0.25 0.44 0.00 0.02 0.00 0.00 176.95 177.20 3ca5 s ALA 168 N -0.09 3.50 -0.57 0.98 0.00 0.23 -1.31 121.76 124.51 3ca5 s ALA 168 Ca -0.06 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 50.66 3ca5 s ALA 168 Cb -0.14 -2.90 0.07 0.00 0.00 0.00 0.00 23.12 20.15 3ca5 s ALA 168 CO 0.04 -1.06 0.80 -0.51 0.00 0.00 0.00 175.76 175.03 3ca5 s LEU 169 N 2.21 4.72 0.51 0.00 1.43 0.20 -0.95 118.68 126.79 3ca5 s LEU 169 Ca 0.16 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 3ca5 s LEU 169 Cb -0.16 -2.49 -0.06 0.00 0.03 0.00 0.00 46.19 43.51 3ca5 s LEU 169 CO 0.12 -1.15 0.91 -0.31 0.23 0.00 0.00 176.35 176.15 3ca5 s TYR 170 N 3.29 3.52 0.48 0.29 1.51 -0.72 -2.27 117.35 123.45 3ca5 s TYR 170 Ca 0.19 1.22 0.26 0.00 -1.01 0.00 0.00 57.07 57.74 3ca5 s TYR 170 Cb -0.18 -2.61 1.53 0.00 -0.11 0.00 0.00 41.96 40.59 3ca5 s TYR 170 CO 0.12 -0.36 2.13 0.78 -1.11 0.00 0.00 175.55 177.11 3ca5 h GLY 171 N 0.61 0.00 -0.09 0.71 0.00 -1.84 -0.97 103.07 101.50 3ca5 h GLY 171 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3ca5 h GLY 171 CO 0.62 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.25 3ca5 n ASP 172 N -3.81 0.09 -0.31 0.19 5.68 -1.22 -2.13 116.55 115.03 3ca5 n ASP 172 Ca -0.02 -1.96 -0.04 0.00 -0.50 0.00 0.00 54.79 52.26 3ca5 n ASP 172 Cb 0.18 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.10 3ca5 n ASP 172 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ca5 n ARG 173 N -0.45 -0.43 -3.17 0.11 5.12 -0.37 -4.22 116.66 113.25 3ca5 n ARG 173 Ca 0.00 0.54 -0.30 0.00 -1.93 0.00 0.00 57.85 56.17 3ca5 n ARG 173 Cb 0.02 -4.19 -0.03 0.00 -1.16 0.00 0.00 32.46 27.10 3ca5 n ARG 173 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3ca5 s THR 174 N -2.08 4.92 -0.27 0.55 -4.23 -1.25 -1.10 115.64 112.18 3ca5 s THR 174 Ca 0.00 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 3ca5 s THR 174 Cb 0.00 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.17 3ca5 s THR 174 CO 0.00 -0.36 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.02 3ca5 s ILE 175 N -2.16 2.61 0.18 2.99 1.01 -1.26 -1.76 121.20 122.81 3ca5 s ILE 175 Ca 0.47 -1.40 0.07 0.00 0.00 0.00 0.00 60.65 59.80 3ca5 s ILE 175 Cb -0.11 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 3ca5 s ILE 175 CO 0.29 0.01 0.01 -0.13 0.00 0.00 0.00 174.94 175.12 3ca5 s ARG 176 N 1.21 2.44 -0.08 2.79 0.52 -0.13 -0.94 118.95 124.75 3ca5 s ARG 176 Ca -0.05 -1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 53.75 3ca5 s ARG 176 Cb -0.19 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 32.86 3ca5 s ARG 176 CO -0.04 0.45 1.62 0.08 0.02 0.00 0.00 175.30 177.43 3ca5 s VAL 177 N -1.77 3.65 0.31 3.52 1.01 -0.81 -0.60 120.40 125.71 3ca5 s VAL 177 Ca 0.28 0.78 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 3ca5 s VAL 177 Cb -0.09 -3.52 0.23 0.00 0.00 0.00 0.00 36.38 33.00 3ca5 s VAL 177 CO 0.19 -0.09 1.94 -1.13 0.00 0.00 0.00 175.10 176.01 3ca5 h ASN 178 N 9.55 0.81 0.76 3.32 -1.24 -1.63 -1.64 115.58 125.52 3ca5 h ASN 178 Ca -0.38 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.58 3ca5 h ASN 178 Cb 1.17 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.01 3ca5 h ASN 178 CO 0.96 0.65 -0.19 -1.54 -1.29 0.00 0.00 177.43 176.01 3ca5 n SER 179 N -4.38 0.22 -3.31 1.15 3.41 -1.26 -4.38 113.62 105.07 3ca5 n SER 179 Ca 0.06 0.13 -0.25 0.00 -0.26 0.00 0.00 58.87 58.55 3ca5 n SER 179 Cb 0.09 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 3ca5 n SER 179 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ca5 n THR 180 N -1.45 -1.05 1.82 6.66 -1.04 -0.62 -5.03 114.28 113.56 3ca5 n THR 180 Ca 0.07 -3.38 0.12 0.00 -2.04 0.00 0.00 64.05 58.82 3ca5 n THR 180 Cb 0.33 -1.53 0.70 0.00 -1.82 0.00 0.00 70.33 68.00 3ca5 n THR 180 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ca5 n ARG 181 N 2.57 0.91 0.00 -2.82 1.74 -1.17 -1.68 116.66 116.21 3ca5 n ARG 181 Ca 0.27 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.51 3ca5 n ARG 181 Cb 0.50 -1.40 0.77 0.00 -1.02 0.00 0.00 32.46 31.31 3ca5 n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ca5 n GLY 182 N 0.74 -0.75 3.48 -0.13 0.00 -1.26 -4.88 105.19 102.40 3ca5 n GLY 182 Ca 0.18 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3ca5 n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca5 s LEU 183 N -2.11 2.88 0.04 0.99 1.43 -0.67 -0.43 118.68 120.80 3ca5 s LEU 183 Ca 0.41 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3ca5 s LEU 183 Cb 0.21 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3ca5 s LEU 183 CO 0.38 0.30 -0.17 0.00 0.23 0.00 0.00 176.35 177.09 3ca5 s VAL 185 N -0.77 3.09 -0.02 0.00 1.01 -0.12 -1.65 120.40 121.94 3ca5 s VAL 185 Ca 0.04 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3ca5 s VAL 185 Cb -0.08 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.86 3ca5 s VAL 185 CO 0.01 0.04 0.02 -0.89 0.00 0.00 0.00 175.10 174.28 3ca5 s THR 186 N 1.52 0.03 0.14 3.92 2.01 0.16 -4.48 115.64 118.94 3ca5 s THR 186 Ca 0.68 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 3ca5 s THR 186 Cb -0.39 -0.15 -0.07 0.00 0.01 0.00 0.00 72.50 71.91 3ca5 s THR 186 CO 0.30 0.11 0.92 0.28 -0.69 0.00 0.00 174.62 175.54 3ca5 s THR 187 N 1.02 4.42 -1.34 -0.82 -1.32 -0.05 -0.44 115.64 117.11 3ca5 s THR 187 Ca -0.09 1.99 -0.06 0.00 -1.21 0.00 0.00 61.69 62.32 3ca5 s THR 187 Cb -0.13 -4.28 0.11 0.00 -1.51 0.00 0.00 72.50 66.69 3ca5 s THR 187 CO -0.02 0.38 2.40 -3.20 -2.21 0.00 0.00 174.62 171.97 3ca5 n ASN 188 N 2.39 8.02 0.00 8.08 4.05 0.22 -4.83 115.26 133.19 3ca5 n ASN 188 Ca 0.00 -3.12 0.00 0.00 0.45 0.00 0.00 54.58 51.91 3ca5 n ASN 188 Cb 0.49 -1.37 0.00 0.00 1.23 0.00 0.00 39.78 40.13 3ca5 n ASN 188 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3ca5 n GLY 189 N 1.83 2.29 0.63 8.20 0.00 -1.26 -4.42 105.19 112.46 3ca5 n GLY 189 Ca 0.63 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 44.63 3ca5 n GLY 189 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ca5 n TYR 190 N -1.29 0.54 -3.94 1.61 4.01 -1.26 -4.90 117.16 111.94 3ca5 n TYR 190 Ca 0.00 -0.63 -0.28 0.00 -0.16 0.00 0.00 57.90 56.83 3ca5 n TYR 190 Cb 0.00 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 3ca5 n TYR 190 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3ca5 s ASN 191 N -1.35 6.34 0.28 7.72 0.01 -1.26 -4.76 114.94 121.91 3ca5 s ASN 191 Ca 0.27 0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 52.32 3ca5 s ASN 191 Cb 0.18 -1.92 -0.13 0.00 0.41 0.00 0.00 41.25 39.79 3ca5 s ASN 191 CO 0.12 0.09 1.27 -0.24 -1.51 0.00 0.00 177.10 176.82 3ca5 n SER 192 N -0.30 2.35 0.00 -1.22 2.88 -1.26 -1.48 113.62 114.59 3ca5 n SER 192 Ca -0.06 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3ca5 n SER 192 Cb 0.53 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 3ca5 n SER 192 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3ca5 n LYS 193 N 1.24 -0.13 -1.93 -1.46 5.02 -0.07 -5.03 118.16 115.80 3ca5 n LYS 193 Ca 0.09 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 56.04 3ca5 n LYS 193 Cb 0.33 -3.06 0.03 0.00 -0.02 0.00 0.00 35.03 32.31 3ca5 n LYS 193 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ca5 s ASP 194 N -2.55 5.42 0.22 4.39 -0.00 -0.55 -4.77 116.67 118.83 3ca5 s ASP 194 Ca 0.00 2.59 -0.18 0.00 -0.00 0.00 0.00 52.55 54.96 3ca5 s ASP 194 Cb 0.00 -2.62 -0.08 0.00 -0.00 0.00 0.00 42.92 40.22 3ca5 s ASP 194 CO 0.00 -1.45 0.68 -0.22 -0.00 0.00 0.00 175.17 174.18 3ca5 s LEU 195 N -3.55 4.31 -0.21 1.23 2.96 -1.26 -1.56 118.68 120.58 3ca5 s LEU 195 Ca 0.71 1.31 -0.13 0.00 -0.22 0.00 0.00 54.13 55.81 3ca5 s LEU 195 Cb -0.36 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.71 3ca5 s LEU 195 CO 0.42 0.02 0.25 -0.63 -1.32 0.00 0.00 176.35 175.09 3ca5 s ILE 196 N -1.57 5.30 0.34 6.68 1.01 -0.10 -0.61 121.20 132.25 3ca5 s ILE 196 Ca 0.43 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.52 3ca5 s ILE 196 Cb -0.15 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3ca5 s ILE 196 CO 0.20 0.33 0.12 2.30 0.00 0.00 0.00 174.94 177.89 3ca5 n ILE 197 N 4.14 0.00 -4.24 2.92 -5.35 0.41 -2.24 119.36 115.01 3ca5 n ILE 197 Ca -0.12 -1.97 -0.34 0.00 -0.27 0.00 0.00 62.75 60.04 3ca5 n ILE 197 Cb 0.52 0.72 -0.12 0.00 -1.74 0.00 0.00 39.64 39.02 3ca5 n ILE 197 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ca5 s ILE 198 N -2.83 4.08 0.07 7.28 -1.09 -0.33 -0.66 121.20 127.72 3ca5 s ILE 198 Ca 0.18 -0.29 -0.00 0.00 -2.23 0.00 0.00 60.65 58.31 3ca5 s ILE 198 Cb 0.01 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 38.04 3ca5 s ILE 198 CO 0.12 0.47 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.51 3ca5 s LEU 199 N 0.54 2.43 0.12 2.97 1.43 -0.66 0.46 118.68 125.98 3ca5 s LEU 199 Ca -0.01 -1.02 -0.35 0.00 -1.03 0.00 0.00 54.13 51.71 3ca5 s LEU 199 Cb -0.14 0.12 -0.16 0.00 0.03 0.00 0.00 46.19 46.05 3ca5 s LEU 199 CO 0.02 -0.57 1.40 1.17 0.23 0.00 0.00 176.35 178.60 3ca5 n LYS 200 N 0.04 1.49 -1.78 1.70 4.81 -1.26 -0.67 118.16 122.50 3ca5 n LYS 200 Ca -0.13 0.54 -0.42 0.00 -0.87 0.00 0.00 58.31 57.43 3ca5 n LYS 200 Cb 0.61 -2.21 -0.03 0.00 0.02 0.00 0.00 35.03 33.43 3ca5 n LYS 200 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ca5 n GLN 202 N 5.76 0.95 -1.05 0.00 6.02 -1.26 -5.01 117.38 122.80 3ca5 n GLN 202 Ca 0.17 -0.88 -0.02 0.00 -0.01 0.00 0.00 57.00 56.27 3ca5 n GLN 202 Cb 0.39 -0.68 -0.01 0.00 1.02 0.00 0.00 30.24 30.97 3ca5 n GLN 202 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ca5 n GLY 203 N -0.19 0.52 3.88 1.08 0.00 -1.26 -4.96 105.19 104.26 3ca5 n GLY 203 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3ca5 n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca5 s LEU 204 N -0.38 3.44 0.53 0.99 1.43 -1.26 -1.96 118.68 121.48 3ca5 s LEU 204 Ca 0.00 1.27 0.19 0.00 -1.03 0.00 0.00 54.13 54.56 3ca5 s LEU 204 Cb 0.00 -4.26 1.36 0.00 0.03 0.00 0.00 46.19 43.32 3ca5 s LEU 204 CO 0.00 -0.71 2.13 -0.65 0.23 0.00 0.00 176.35 177.35 3ca5 h PRO 205 N 0.11 0.00 0.00 1.29 0.11 -1.84 -1.15 132.00 130.52 3ca5 h PRO 205 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ca5 h PRO 205 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ca5 h PRO 205 CO 0.62 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 3ca5 n SER 206 N -4.41 0.07 -0.51 -2.05 3.41 -1.26 -2.86 113.62 106.01 3ca5 n SER 206 Ca -0.01 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.17 3ca5 n SER 206 Cb 0.18 -0.54 0.11 0.00 -0.26 0.00 0.00 64.21 63.70 3ca5 n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ca5 n GLN 207 N -1.58 2.14 -3.91 4.33 6.02 -0.46 -0.88 117.38 123.04 3ca5 n GLN 207 Ca 0.02 -1.71 -0.36 0.00 -0.01 0.00 0.00 57.00 54.94 3ca5 n GLN 207 Cb 0.13 -1.22 -0.07 0.00 1.02 0.00 0.00 30.24 30.10 3ca5 n GLN 207 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3ca5 s ARG 208 N -0.94 3.68 0.03 -1.09 3.52 -1.14 -4.23 118.95 118.77 3ca5 s ARG 208 Ca 0.18 -0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 55.55 3ca5 s ARG 208 Cb 0.10 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 3ca5 s ARG 208 CO 0.13 0.57 -0.01 -1.58 -0.81 0.00 0.00 175.30 173.60 3ca5 s TRP 209 N -0.44 0.30 -0.04 5.12 0.52 -0.26 -4.17 118.94 119.97 3ca5 s TRP 209 Ca 0.11 -0.63 0.01 0.00 0.02 0.00 0.00 56.10 55.61 3ca5 s TRP 209 Cb -0.12 -0.22 0.02 0.00 -1.15 0.00 0.00 33.47 32.00 3ca5 s TRP 209 CO 0.02 -0.25 -0.04 0.12 0.02 0.00 0.00 176.95 176.81 3ca5 s PHE 210 N -2.12 0.73 -0.48 -1.98 5.99 0.31 -4.75 117.98 115.68 3ca5 s PHE 210 Ca -0.10 -0.20 -0.20 0.00 0.00 0.00 0.00 56.93 56.43 3ca5 s PHE 210 Cb -0.05 -0.66 0.04 0.00 0.00 0.00 0.00 43.02 42.35 3ca5 s PHE 210 CO -0.03 -0.20 0.66 -0.06 -0.00 0.00 0.00 175.22 175.60 3ca5 s PHE 211 N 0.97 3.03 0.71 10.12 0.40 -1.26 -0.37 117.98 131.56 3ca5 s PHE 211 Ca -0.10 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 55.95 3ca5 s PHE 211 Cb -0.14 -3.50 0.12 0.00 0.51 0.00 0.00 43.02 40.00 3ca5 s PHE 211 CO -0.00 -1.00 0.98 0.54 0.70 0.00 0.00 175.22 176.44 3ca5 s ASN 212 N 2.40 4.43 0.37 1.36 2.20 -0.69 -5.00 114.94 120.00 3ca5 s ASN 212 Ca 0.20 -0.33 0.27 0.00 -0.94 0.00 0.00 52.86 52.06 3ca5 s ASN 212 Cb -0.16 -0.09 1.01 0.00 -2.00 0.00 0.00 41.25 40.01 3ca5 s ASN 212 CO 0.16 -1.80 1.80 0.77 -2.94 0.00 0.00 177.10 175.09 3ca5 h SER 213 N -0.48 0.00 -0.28 3.54 4.64 -1.97 -3.00 113.55 116.01 3ca5 h SER 213 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3ca5 h SER 213 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ca5 h SER 213 CO 0.41 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.84 3ca5 n ASP 214 N -2.63 2.03 0.00 4.97 8.00 -1.26 -4.89 116.55 122.78 3ca5 n ASP 214 Ca 0.02 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.40 3ca5 n ASP 214 Cb 0.32 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3ca5 n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ca5 n GLY 215 N 0.74 0.55 3.88 0.44 0.00 -1.13 -4.89 105.19 104.78 3ca5 n GLY 215 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3ca5 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ca5 s ALA 216 N -2.33 3.43 -0.33 4.61 0.00 -1.26 -0.67 121.76 125.21 3ca5 s ALA 216 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 3ca5 s ALA 216 Cb 0.00 -2.58 0.06 0.00 0.00 0.00 0.00 23.12 20.60 3ca5 s ALA 216 CO 0.00 0.08 0.07 0.42 0.00 0.00 0.00 175.76 176.33 3ca5 s ILE 217 N -2.27 3.26 -0.14 0.00 1.01 -1.26 -1.71 121.20 120.10 3ca5 s ILE 217 Ca 0.49 -1.45 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 3ca5 s ILE 217 Cb -0.10 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3ca5 s ILE 217 CO 0.30 -0.24 0.11 -0.69 0.00 0.00 0.00 174.94 174.42 3ca5 s VAL 218 N 1.27 5.28 -0.45 2.92 1.01 0.50 -0.84 120.40 130.10 3ca5 s VAL 218 Ca -0.02 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 3ca5 s VAL 218 Cb -0.20 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.89 3ca5 s VAL 218 CO -0.01 0.56 0.52 0.21 0.00 0.00 0.00 175.10 176.38 3ca5 s ASN 219 N -0.57 6.22 0.24 3.32 3.84 0.90 -0.53 114.94 128.37 3ca5 s ASN 219 Ca 0.12 -0.72 -0.05 0.00 0.21 0.00 0.00 52.86 52.41 3ca5 s ASN 219 Cb -0.12 -2.25 0.31 0.00 -0.55 0.00 0.00 41.25 38.64 3ca5 s ASN 219 CO 0.02 -0.70 1.88 -0.65 -2.79 0.00 0.00 177.10 174.86 3ca5 h PRO 220 N 8.82 1.08 0.11 0.43 0.11 -1.86 -0.33 132.00 140.37 3ca5 h PRO 220 Ca -0.27 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ca5 h PRO 220 Cb 1.10 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3ca5 h PRO 220 CO 0.86 0.71 -0.12 -0.22 -0.21 0.00 0.00 178.00 179.03 3ca5 h LYS 221 N 1.11 -0.25 0.00 1.05 1.63 -1.83 -3.00 116.57 115.28 3ca5 h LYS 221 Ca 0.37 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 60.11 3ca5 h LYS 221 Cb 0.06 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3ca5 h LYS 221 CO -0.14 -0.16 -0.38 0.66 -3.45 0.00 0.00 179.45 175.97 3ca5 h SER 222 N -0.26 0.00 0.00 4.20 4.64 -1.82 -3.47 113.55 116.85 3ca5 h SER 222 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3ca5 h SER 222 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3ca5 h SER 222 CO -0.04 0.38 0.00 0.54 -0.87 0.00 0.00 176.83 176.85 3ca5 n ARG 223 N -3.28 0.00 -2.69 4.77 1.74 -0.15 -5.03 116.66 112.02 3ca5 n ARG 223 Ca 0.02 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.85 3ca5 n ARG 223 Cb 0.63 -1.82 0.02 0.00 -1.02 0.00 0.00 32.46 30.27 3ca5 n ARG 223 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ca5 s LEU 224 N 0.00 3.44 0.22 0.55 1.43 -1.22 -4.72 118.68 118.38 3ca5 s LEU 224 Ca 0.00 0.51 0.07 0.00 -1.03 0.00 0.00 54.13 53.68 3ca5 s LEU 224 Cb 0.00 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 3ca5 s LEU 224 CO 0.00 -0.88 -0.12 0.68 0.23 0.00 0.00 176.35 176.26 3ca5 s VAL 225 N -2.77 1.69 0.18 -1.59 -7.23 -0.00 -0.07 120.40 110.61 3ca5 s VAL 225 Ca 0.51 -2.19 -0.31 0.00 -1.81 0.00 0.00 61.98 58.18 3ca5 s VAL 225 Cb -0.10 -2.14 -0.10 0.00 0.56 0.00 0.00 36.38 34.60 3ca5 s VAL 225 CO 0.42 -0.53 1.57 -0.04 -0.31 0.00 0.00 175.10 176.21 3ca5 s MET 226 N -3.67 4.21 -0.08 4.82 -1.94 -0.02 -1.34 119.30 121.28 3ca5 s MET 226 Ca 0.24 2.38 -0.03 0.00 -1.71 0.00 0.00 55.69 56.57 3ca5 s MET 226 Cb 0.00 -3.14 0.04 0.00 2.01 0.00 0.00 34.83 33.75 3ca5 s MET 226 CO 0.08 -0.60 0.17 0.34 -0.01 0.00 0.00 175.02 175.00 3ca5 s ASP 227 N 1.04 0.31 -0.47 3.03 3.68 -0.00 -4.48 116.67 119.78 3ca5 s ASP 227 Ca 0.69 0.35 -0.29 0.00 2.13 0.00 0.00 52.55 55.43 3ca5 s ASP 227 Cb -0.44 0.28 0.02 0.00 -1.45 0.00 0.00 42.92 41.32 3ca5 s ASP 227 CO 0.33 -0.20 1.33 -0.69 0.13 0.00 0.00 175.17 176.07 3ca5 s VAL 228 N 1.79 3.97 -0.07 1.11 1.01 -0.19 -1.09 120.40 126.92 3ca5 s VAL 228 Ca -0.03 0.96 -0.36 0.00 0.00 0.00 0.00 61.98 62.54 3ca5 s VAL 228 Cb -0.12 -4.39 -0.14 0.00 0.00 0.00 0.00 36.38 31.73 3ca5 s VAL 228 CO -0.06 -0.94 1.68 -1.14 0.00 0.00 0.00 175.10 174.65 3ca5 n ARG 229 N 8.14 1.66 -2.05 2.72 0.63 -0.79 -1.21 116.66 125.76 3ca5 n ARG 229 Ca 0.14 0.61 -0.18 0.00 -0.92 0.00 0.00 57.85 57.50 3ca5 n ARG 229 Cb 0.49 -2.35 -0.04 0.00 0.45 0.00 0.00 32.46 31.01 3ca5 n ARG 229 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ca5 n ALA 230 N 4.91 -0.51 -4.07 5.13 0.00 -1.26 -1.40 120.51 123.30 3ca5 n ALA 230 Ca 0.22 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.52 3ca5 n ALA 230 Cb 0.22 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 3ca5 n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ca5 n SER 231 N -1.56 -3.25 -3.85 0.00 7.64 -0.35 -4.91 113.62 107.34 3ca5 n SER 231 Ca -0.20 -0.89 -0.30 0.00 1.01 0.00 0.00 58.87 58.49 3ca5 n SER 231 Cb 0.63 -2.67 -0.14 0.00 -1.01 0.00 0.00 64.21 61.01 3ca5 n SER 231 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3ca5 s ASN 232 N -3.15 4.17 0.52 6.43 3.84 -0.49 -4.97 114.94 121.28 3ca5 s ASN 232 Ca 0.69 -2.34 0.24 0.00 0.21 0.00 0.00 52.86 51.66 3ca5 s ASN 232 Cb -0.38 -1.27 1.44 0.00 -0.55 0.00 0.00 41.25 40.49 3ca5 s ASN 232 CO 0.84 -0.33 2.10 -0.37 -2.79 0.00 0.00 177.10 176.56 3ca5 h VAL 233 N 5.96 0.70 0.00 -5.21 -1.51 -1.91 -2.55 116.25 111.74 3ca5 h VAL 233 Ca -0.06 -0.40 -0.03 0.00 -1.23 0.00 0.00 66.70 64.98 3ca5 h VAL 233 Cb 0.97 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3ca5 h VAL 233 CO 0.53 0.10 -0.13 0.28 -1.23 0.00 0.00 177.57 177.12 3ca5 h SER 234 N 0.00 0.00 0.53 4.19 0.02 -1.95 -2.18 113.55 114.17 3ca5 h SER 234 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3ca5 h SER 234 Cb 0.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3ca5 h SER 234 CO 0.01 0.13 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.64 3ca5 h LEU 235 N 0.00 0.00 -1.83 5.07 3.38 -1.80 -3.47 115.31 116.66 3ca5 h LEU 235 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 3ca5 h LEU 235 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3ca5 h LEU 235 CO 0.02 0.12 -0.86 0.54 0.09 0.00 0.00 178.44 178.34 3ca5 n ARG 236 N -3.47 -4.10 -3.81 1.13 1.74 -0.82 -4.99 116.66 102.35 3ca5 n ARG 236 Ca -0.01 0.51 -0.19 0.00 -0.77 0.00 0.00 57.85 57.39 3ca5 n ARG 236 Cb 0.27 -4.86 -0.17 0.00 -1.02 0.00 0.00 32.46 26.69 3ca5 n ARG 236 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ca5 s GLU 237 N -6.28 0.22 -0.11 5.56 2.02 -1.26 -4.78 118.70 114.07 3ca5 s GLU 237 Ca 0.02 0.18 -0.00 0.00 0.02 0.00 0.00 54.97 55.18 3ca5 s GLU 237 Cb -0.01 -0.57 -0.02 0.00 0.10 0.00 0.00 34.13 33.63 3ca5 s GLU 237 CO 0.85 -0.23 -0.10 0.42 0.02 0.00 0.00 175.26 176.23 3ca5 s ILE 238 N 1.54 3.38 0.32 -1.63 -1.09 -1.25 -1.89 121.20 120.59 3ca5 s ILE 238 Ca -0.03 -0.56 0.05 0.00 -2.23 0.00 0.00 60.65 57.88 3ca5 s ILE 238 Cb -0.13 -2.41 -0.06 0.00 -1.58 0.00 0.00 42.46 38.27 3ca5 s ILE 238 CO -0.03 0.54 0.03 0.27 -1.23 0.00 0.00 174.94 174.52 3ca5 s ILE 239 N -0.06 1.37 0.16 2.92 -4.36 -0.25 -0.92 121.20 120.05 3ca5 s ILE 239 Ca -0.01 -2.02 -0.12 0.00 -0.26 0.00 0.00 60.65 58.24 3ca5 s ILE 239 Cb -0.14 -2.75 -0.07 0.00 1.25 0.00 0.00 42.46 40.76 3ca5 s ILE 239 CO 0.03 -0.06 0.53 0.27 0.24 0.00 0.00 174.94 175.95 3ca5 s ILE 240 N -3.18 4.92 0.01 8.37 -4.36 -0.60 -0.82 121.20 125.53 3ca5 s ILE 240 Ca 0.35 0.65 -0.28 0.00 -0.26 0.00 0.00 60.65 61.11 3ca5 s ILE 240 Cb 0.08 -3.68 0.07 0.00 1.25 0.00 0.00 42.46 40.17 3ca5 s ILE 240 CO 0.15 0.15 0.63 0.12 0.24 0.00 0.00 174.94 176.22 3ca5 s PHE 241 N -1.57 -0.59 0.46 1.37 5.36 -0.45 -0.90 117.98 121.67 3ca5 s PHE 241 Ca 0.40 0.85 -0.24 0.00 -0.96 0.00 0.00 56.93 56.99 3ca5 s PHE 241 Cb -0.14 0.42 -0.08 0.00 -0.34 0.00 0.00 43.02 42.88 3ca5 s PHE 241 CO 0.20 -0.65 1.20 -2.30 -1.46 0.00 0.00 175.22 172.20 3ca5 n PRO 242 N 0.60 1.65 -1.95 10.12 -0.02 -1.26 -0.82 135.00 143.31 3ca5 n PRO 242 Ca -0.19 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 3ca5 n PRO 242 Cb 0.59 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3ca5 n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca5 s ALA 243 N -1.27 3.72 -0.04 3.55 0.00 -1.26 -4.84 121.76 121.63 3ca5 s ALA 243 Ca 0.65 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.90 3ca5 s ALA 243 Cb -0.49 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 18.97 3ca5 s ALA 243 CO 0.55 -0.90 0.05 0.25 0.00 0.00 0.00 175.76 175.70 3ca5 n THR 244 N 4.29 0.00 -0.94 0.00 -2.24 -1.26 -5.01 114.28 109.12 3ca5 n THR 244 Ca 0.14 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3ca5 n THR 244 Cb 0.40 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3ca5 n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ca5 n GLY 245 N 1.57 0.65 3.83 3.38 0.00 -1.26 -5.02 105.19 108.34 3ca5 n GLY 245 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3ca5 n GLY 245 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ca5 s ASN 246 N -2.51 5.91 0.49 1.61 0.01 -1.26 -4.93 114.94 114.26 3ca5 s ASN 246 Ca 0.00 1.63 0.27 0.00 -0.71 0.00 0.00 52.86 54.04 3ca5 s ASN 246 Cb 0.00 -2.50 1.35 0.00 0.41 0.00 0.00 41.25 40.50 3ca5 s ASN 246 CO 0.00 -1.08 1.87 -0.65 -1.51 0.00 0.00 177.10 175.73 3ca5 h PRO 247 N 0.02 0.14 0.00 -0.60 0.11 -1.96 -0.77 132.00 128.94 3ca5 h PRO 247 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ca5 h PRO 247 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ca5 h PRO 247 CO 0.59 0.09 0.00 0.27 -0.21 0.00 0.00 178.00 178.74 3ca5 n ASN 248 N -4.36 0.00 -0.03 -2.05 6.94 -1.26 -2.30 115.26 112.20 3ca5 n ASN 248 Ca 0.20 -1.33 0.01 0.00 -0.02 0.00 0.00 54.58 53.44 3ca5 n ASN 248 Cb 0.89 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 38.33 3ca5 n ASN 248 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca5 n GLN 249 N -0.75 2.08 -3.94 -3.83 6.02 -0.30 -1.02 117.38 115.64 3ca5 n GLN 249 Ca 0.11 -1.43 -0.35 0.00 -0.01 0.00 0.00 57.00 55.31 3ca5 n GLN 249 Cb 0.05 -0.95 -0.08 0.00 1.02 0.00 0.00 30.24 30.28 3ca5 n GLN 249 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca5 s GLN 250 N -1.01 3.78 0.02 -1.09 -1.52 -0.97 -4.19 119.66 114.67 3ca5 s GLN 250 Ca 0.04 -0.26 -0.01 0.00 -1.95 0.00 0.00 55.36 53.18 3ca5 s GLN 250 Cb 0.04 -3.21 -0.02 0.00 -0.22 0.00 0.00 33.01 29.60 3ca5 s GLN 250 CO 0.00 0.46 0.00 -1.58 -0.25 0.00 0.00 175.29 173.93 3ca5 s TRP 251 N -0.15 0.22 0.01 0.91 0.52 0.16 -3.85 118.94 116.76 3ca5 s TRP 251 Ca 0.09 -0.46 0.02 0.00 0.02 0.00 0.00 56.10 55.76 3ca5 s TRP 251 Cb -0.12 -0.16 -0.01 0.00 -1.15 0.00 0.00 33.47 32.03 3ca5 s TRP 251 CO 0.01 -0.21 -0.06 0.08 0.02 0.00 0.00 176.95 176.79 3ca5 s VAL 252 N -1.47 0.43 0.10 4.03 1.01 0.16 -4.67 120.40 119.98 3ca5 s VAL 252 Ca -0.16 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 3ca5 s VAL 252 Cb -0.09 -0.41 -0.07 0.00 0.00 0.00 0.00 36.38 35.81 3ca5 s VAL 252 CO -0.01 -0.04 0.67 0.42 0.00 0.00 0.00 175.10 176.14 3ca5 s THR 253 N -0.50 4.62 -0.25 3.92 -4.23 -1.26 -0.68 115.64 117.26 3ca5 s THR 253 Ca -0.02 1.44 0.01 0.00 -1.18 0.00 0.00 61.69 61.94 3ca5 s THR 253 Cb -0.04 -4.01 0.06 0.00 1.34 0.00 0.00 72.50 69.85 3ca5 s THR 253 CO -0.00 0.51 -0.04 -1.10 -0.54 0.00 0.00 174.62 173.45 3ca5 s GLN 254 N -0.92 1.58 0.42 3.99 -1.52 -0.38 -4.96 119.66 117.87 3ca5 s GLN 254 Ca 0.33 -1.06 -0.26 0.00 -1.95 0.00 0.00 55.36 52.42 3ca5 s GLN 254 Cb -0.21 -2.61 -0.10 0.00 -0.22 0.00 0.00 33.01 29.88 3ca5 s GLN 254 CO 0.22 -0.64 1.32 0.28 -0.25 0.00 0.00 175.29 176.22 3ca5 n VAL 255 N 4.65 2.56 -3.80 1.09 0.31 -1.26 -0.80 118.33 121.08 3ca5 n VAL 255 Ca -0.10 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.41 3ca5 n VAL 255 Cb 0.44 -1.65 -0.04 0.00 -0.91 0.00 0.00 33.84 31.67 3ca5 n VAL 255 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ca5 s LEU 256 N -1.91 4.32 0.00 7.52 1.43 -0.81 -4.83 118.68 124.41 3ca5 s LEU 256 Ca 0.60 0.42 0.23 0.00 -1.03 0.00 0.00 54.13 54.35 3ca5 s LEU 256 Cb -0.49 -3.12 1.35 0.00 0.03 0.00 0.00 46.19 43.95 3ca5 s LEU 256 CO 0.58 0.11 1.72 -0.81 0.23 0.00 0.00 176.35 178.19