#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca0 s SER 2 N 0.00 0.21 0.02 1.09 1.04 -1.26 -1.99 113.70 112.82 3ca0 s SER 2 Ca 0.00 -0.78 -0.22 0.00 0.48 0.00 0.00 55.95 55.43 3ca0 s SER 2 Cb 0.00 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.48 3ca0 s SER 2 CO 0.00 -0.71 0.51 0.72 0.98 0.00 0.00 173.24 174.74 3ca0 s PHE 3 N -3.89 -0.42 -0.03 5.02 -0.71 -0.75 -4.99 117.98 112.22 3ca0 s PHE 3 Ca 0.07 0.54 0.07 0.00 -1.04 0.00 0.00 56.93 56.57 3ca0 s PHE 3 Cb 0.06 0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 42.16 3ca0 s PHE 3 CO -0.09 -0.59 -0.25 0.99 -1.34 0.00 0.00 175.22 173.93 3ca0 s THR 4 N -2.05 1.99 0.17 -4.49 2.01 -1.26 -0.31 115.64 111.70 3ca0 s THR 4 Ca -0.08 -1.07 -0.11 0.00 0.31 0.00 0.00 61.69 60.75 3ca0 s THR 4 Cb -0.01 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.84 3ca0 s THR 4 CO 0.01 0.56 0.34 -0.13 -0.69 0.00 0.00 174.62 174.72 3ca0 s ARG 5 N -0.45 1.19 0.62 4.92 1.81 -0.15 -4.90 118.95 121.99 3ca0 s ARG 5 Ca 0.06 -1.07 -0.09 0.00 -1.72 0.00 0.00 55.73 52.91 3ca0 s ARG 5 Cb -0.11 0.41 -0.00 0.00 -0.45 0.00 0.00 34.95 34.80 3ca0 s ARG 5 CO 0.00 -0.46 0.98 -0.80 -0.68 0.00 0.00 175.30 174.34 3ca0 s ASN 6 N -2.93 5.73 -0.24 0.23 -0.87 -0.35 -0.51 114.94 116.00 3ca0 s ASN 6 Ca 0.14 1.00 0.02 0.00 -1.57 0.00 0.00 52.86 52.45 3ca0 s ASN 6 Cb 0.02 -1.97 0.06 0.00 -0.02 0.00 0.00 41.25 39.33 3ca0 s ASN 6 CO -0.02 -1.07 -0.10 -0.63 -2.57 0.00 0.00 177.10 172.72 3ca0 s ILE 7 N -3.12 1.93 -0.18 0.60 1.01 -1.26 -1.66 121.20 118.52 3ca0 s ILE 7 Ca 0.55 -1.42 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 3ca0 s ILE 7 Cb -0.11 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3ca0 s ILE 7 CO 0.49 -0.00 0.11 -0.69 0.00 0.00 0.00 174.94 174.84 3ca0 s VAL 8 N 1.22 5.21 0.00 2.92 1.01 0.11 -1.05 120.40 129.82 3ca0 s VAL 8 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3ca0 s VAL 8 Cb -0.19 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3ca0 s VAL 8 CO -0.06 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3ca0 n GLY 9 N 3.18 5.15 3.63 4.51 0.00 0.61 -0.28 105.19 121.99 3ca0 n GLY 9 Ca -0.17 -0.78 -0.48 0.00 0.00 0.00 0.00 46.02 44.59 3ca0 n GLY 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ca0 n ARG 10 N 0.00 1.71 -1.69 1.61 0.63 -1.26 -0.16 116.66 117.49 3ca0 n ARG 10 Ca 0.00 0.61 -0.19 0.00 -0.92 0.00 0.00 57.85 57.35 3ca0 n ARG 10 Cb 0.00 -2.30 -0.07 0.00 0.45 0.00 0.00 32.46 30.54 3ca0 n ARG 10 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3ca0 n ASP 11 N 2.77 -5.19 -0.01 6.15 10.43 -1.26 -2.06 116.55 127.39 3ca0 n ASP 11 Ca 0.16 0.41 -0.00 0.00 2.57 0.00 0.00 54.79 57.93 3ca0 n ASP 11 Cb 0.26 -4.57 -0.00 0.00 1.84 0.00 0.00 41.12 38.65 3ca0 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ca0 n GLY 12 N -0.46 0.38 3.89 0.44 0.00 0.77 -5.03 105.19 105.19 3ca0 n GLY 12 Ca -0.20 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3ca0 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca0 s LEU 13 N -0.02 3.43 0.24 0.99 1.43 -0.88 -4.56 118.68 119.32 3ca0 s LEU 13 Ca 0.00 1.17 0.08 0.00 -1.03 0.00 0.00 54.13 54.35 3ca0 s LEU 13 Cb 0.00 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 3ca0 s LEU 13 CO 0.00 -0.72 0.09 0.00 0.23 0.00 0.00 176.35 175.95 3ca0 s VAL 15 N -2.12 4.09 -0.03 0.00 1.01 -0.21 -1.52 120.40 121.61 3ca0 s VAL 15 Ca 0.31 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.69 3ca0 s VAL 15 Cb -0.08 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.44 3ca0 s VAL 15 CO 0.22 -0.07 -0.01 -0.62 0.00 0.00 0.00 175.10 174.62 3ca0 s ASP 16 N 1.96 0.56 -0.41 3.32 2.15 -0.19 -4.46 116.67 119.60 3ca0 s ASP 16 Ca 0.59 -0.06 -0.26 0.00 0.43 0.00 0.00 52.55 53.25 3ca0 s ASP 16 Cb -0.26 -0.28 0.02 0.00 -0.30 0.00 0.00 42.92 42.10 3ca0 s ASP 16 CO 0.20 -0.08 0.94 -0.69 -0.17 0.00 0.00 175.17 175.37 3ca0 s VAL 17 N 0.94 4.52 -0.46 1.11 1.01 -0.19 -1.33 120.40 125.99 3ca0 s VAL 17 Ca -0.10 1.04 -0.45 0.00 0.00 0.00 0.00 61.98 62.47 3ca0 s VAL 17 Cb -0.14 -4.39 -0.19 0.00 0.00 0.00 0.00 36.38 31.67 3ca0 s VAL 17 CO -0.01 -0.67 1.77 -1.14 0.00 0.00 0.00 175.10 175.05 3ca0 n ARG 18 N 6.98 0.23 -1.63 2.72 0.63 -1.26 -1.41 116.66 122.93 3ca0 n ARG 18 Ca 0.07 0.08 -0.12 0.00 -0.92 0.00 0.00 57.85 56.96 3ca0 n ARG 18 Cb 0.48 -1.64 -0.04 0.00 0.45 0.00 0.00 32.46 31.71 3ca0 n ARG 18 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3ca0 n ASN 19 N 5.24 -3.39 -0.26 6.15 5.15 -1.26 -1.04 115.26 125.84 3ca0 n ASN 19 Ca 0.36 0.28 -0.03 0.00 -0.60 0.00 0.00 54.58 54.58 3ca0 n ASN 19 Cb -0.01 -3.12 -0.01 0.00 -0.53 0.00 0.00 39.78 36.10 3ca0 n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ca0 n GLY 20 N -0.37 0.60 3.75 8.20 0.00 -0.50 -5.00 105.19 111.87 3ca0 n GLY 20 Ca -0.13 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3ca0 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ca0 s TYR 21 N -1.91 3.85 -0.07 1.61 2.02 -0.21 -4.95 117.35 117.70 3ca0 s TYR 21 Ca 0.00 1.85 0.10 0.00 -0.37 0.00 0.00 57.07 58.65 3ca0 s TYR 21 Cb 0.00 -3.05 0.15 0.00 -0.40 0.00 0.00 41.96 38.66 3ca0 s TYR 21 CO 0.00 0.17 1.07 -0.40 -1.57 0.00 0.00 175.55 174.82 3ca0 n ASP 22 N 1.32 2.13 -4.72 2.29 3.85 -1.26 -4.66 116.55 115.50 3ca0 n ASP 22 Ca -0.01 -2.57 -0.43 0.00 -0.71 0.00 0.00 54.79 51.07 3ca0 n ASP 22 Cb 0.47 -0.23 -0.03 0.00 -1.35 0.00 0.00 41.12 39.98 3ca0 n ASP 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3ca0 n THR 23 N -0.99 0.54 -1.61 2.12 -1.04 -1.26 -4.83 114.28 107.21 3ca0 n THR 23 Ca 0.09 -0.14 -0.50 0.00 -2.04 0.00 0.00 64.05 61.46 3ca0 n THR 23 Cb 0.47 -1.86 -0.05 0.00 -1.82 0.00 0.00 70.33 67.07 3ca0 n THR 23 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3ca0 n ASP 24 N 2.92 2.00 0.00 8.00 10.43 -1.26 -1.71 116.55 136.93 3ca0 n ASP 24 Ca 0.12 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.60 3ca0 n ASP 24 Cb 0.34 -1.25 0.00 0.00 1.84 0.00 0.00 41.12 42.05 3ca0 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ca0 n GLY 25 N 2.71 0.53 3.66 0.44 0.00 0.16 -5.00 105.19 107.69 3ca0 n GLY 25 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ca0 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ca0 s THR 26 N -2.21 3.20 0.43 2.61 2.01 -0.69 -4.78 115.64 116.21 3ca0 s THR 26 Ca 0.00 0.27 -0.25 0.00 0.31 0.00 0.00 61.69 62.02 3ca0 s THR 26 Cb 0.00 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 3ca0 s THR 26 CO 0.00 -0.02 1.32 -2.84 -0.69 0.00 0.00 174.62 172.39 3ca0 s PRO 27 N 4.21 3.80 0.43 4.92 0.02 -1.26 -1.25 135.00 145.87 3ca0 s PRO 27 Ca 0.83 2.18 -0.19 0.00 0.02 0.00 0.00 61.00 63.84 3ca0 s PRO 27 Cb -0.39 -2.65 -0.10 0.00 0.02 0.00 0.00 34.50 31.37 3ca0 s PRO 27 CO 0.37 -0.64 0.92 -0.51 -0.33 0.00 0.00 177.00 176.81 3ca0 s LEU 28 N -2.66 3.90 0.16 -5.54 1.43 -0.69 -4.10 118.68 111.17 3ca0 s LEU 28 Ca 0.60 1.58 -0.03 0.00 -1.03 0.00 0.00 54.13 55.26 3ca0 s LEU 28 Cb -0.39 -4.44 -0.03 0.00 0.03 0.00 0.00 46.19 41.36 3ca0 s LEU 28 CO 0.49 -0.38 0.12 0.00 0.23 0.00 0.00 176.35 176.82 3ca0 s GLN 29 N -3.33 1.05 0.22 1.70 -2.07 -0.44 -1.49 119.66 115.29 3ca0 s GLN 29 Ca 0.60 -1.43 -0.22 0.00 -1.82 0.00 0.00 55.36 52.48 3ca0 s GLN 29 Cb -0.09 0.28 -0.08 0.00 -1.09 0.00 0.00 33.01 32.02 3ca0 s GLN 29 CO 0.18 -0.33 0.77 -0.51 -1.32 0.00 0.00 175.29 174.07 3ca0 s LEU 30 N -3.06 4.42 -0.16 2.60 1.43 -0.17 -1.02 118.68 122.73 3ca0 s LEU 30 Ca 0.26 1.54 -0.23 0.00 -1.03 0.00 0.00 54.13 54.67 3ca0 s LEU 30 Cb 0.06 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.80 3ca0 s LEU 30 CO 0.04 0.08 0.60 0.86 0.23 0.00 0.00 176.35 178.16 3ca0 s TRP 31 N -1.41 -0.62 0.31 0.29 -0.11 -0.58 -0.24 118.94 116.58 3ca0 s TRP 31 Ca 0.41 1.35 -0.27 0.00 1.22 0.00 0.00 56.10 58.82 3ca0 s TRP 31 Cb -0.19 0.27 -0.14 0.00 -1.50 0.00 0.00 33.47 31.91 3ca0 s TRP 31 CO 0.23 -0.41 0.87 -2.30 -4.62 0.00 0.00 176.95 170.71 3ca0 n PRO 32 N 2.06 1.04 -2.06 5.86 -0.02 -1.26 -0.66 135.00 139.97 3ca0 n PRO 32 Ca -0.16 0.37 -0.40 0.00 -2.02 0.00 0.00 63.50 61.29 3ca0 n PRO 32 Cb 0.56 -1.70 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 3ca0 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca0 n GLY 34 N 0.70 3.47 0.25 0.00 0.00 -1.26 -5.05 105.19 103.30 3ca0 n GLY 34 Ca 0.02 -1.13 0.02 0.00 0.00 0.00 0.00 46.02 44.93 3ca0 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ca0 n THR 35 N 0.00 0.73 -1.55 2.61 -2.24 -1.26 -4.91 114.28 107.66 3ca0 n THR 35 Ca 0.00 -0.87 -0.32 0.00 -2.27 0.00 0.00 64.05 60.60 3ca0 n THR 35 Cb 0.00 0.66 0.06 0.00 -2.10 0.00 0.00 70.33 68.95 3ca0 n THR 35 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ca0 s GLN 36 N -0.84 2.65 0.55 -0.78 -1.52 -1.26 -4.87 119.66 113.58 3ca0 s GLN 36 Ca 0.09 1.22 0.24 0.00 -1.95 0.00 0.00 55.36 54.95 3ca0 s GLN 36 Cb 0.05 -1.94 1.53 0.00 -0.22 0.00 0.00 33.01 32.42 3ca0 s GLN 36 CO 0.06 -1.35 2.17 0.07 -0.25 0.00 0.00 175.29 176.00 3ca0 h ARG 37 N -0.51 0.00 0.00 2.91 0.11 -1.96 -1.56 114.38 113.37 3ca0 h ARG 37 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3ca0 h ARG 37 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3ca0 h ARG 37 CO 0.54 0.04 0.00 0.27 0.10 0.00 0.00 179.97 180.91 3ca0 n ASN 38 N -4.07 0.00 0.00 0.08 6.94 -1.26 -1.84 115.26 115.11 3ca0 n ASN 38 Ca -0.03 -1.34 0.00 0.00 -0.02 0.00 0.00 54.58 53.19 3ca0 n ASN 38 Cb 0.12 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 3ca0 n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca0 n GLN 39 N -0.80 2.41 -3.61 -3.83 6.02 -0.59 -1.02 117.38 115.95 3ca0 n GLN 39 Ca 0.14 -1.35 -0.40 0.00 -0.01 0.00 0.00 57.00 55.39 3ca0 n GLN 39 Cb 0.06 -1.00 -0.11 0.00 1.02 0.00 0.00 30.24 30.22 3ca0 n GLN 39 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ca0 s ARG 40 N -0.85 3.20 -0.17 -1.09 1.81 -0.77 -4.24 118.95 116.84 3ca0 s ARG 40 Ca 0.00 -0.83 -0.03 0.00 -1.72 0.00 0.00 55.73 53.16 3ca0 s ARG 40 Cb 0.00 -3.66 -0.02 0.00 -0.45 0.00 0.00 34.95 30.82 3ca0 s ARG 40 CO 0.00 -0.52 -0.06 -1.58 -0.68 0.00 0.00 175.30 172.46 3ca0 s TRP 41 N 1.61 2.94 -0.23 -0.53 0.52 0.34 -4.36 118.94 119.23 3ca0 s TRP 41 Ca 0.04 -0.60 -0.09 0.00 0.02 0.00 0.00 56.10 55.46 3ca0 s TRP 41 Cb -0.18 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 3ca0 s TRP 41 CO 0.07 -0.26 0.12 0.99 0.02 0.00 0.00 176.95 177.90 3ca0 s THR 42 N 0.74 5.02 -0.21 2.01 2.01 0.28 -0.98 115.64 124.51 3ca0 s THR 42 Ca -0.03 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 3ca0 s THR 42 Cb -0.15 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3ca0 s THR 42 CO 0.02 0.36 0.11 -0.36 -0.69 0.00 0.00 174.62 174.06 3ca0 s PHE 43 N 1.07 3.29 0.30 4.92 0.08 0.58 -1.02 117.98 127.18 3ca0 s PHE 43 Ca 0.06 0.13 0.08 0.00 0.12 0.00 0.00 56.93 57.32 3ca0 s PHE 43 Cb -0.14 -2.17 -0.06 0.00 -0.57 0.00 0.00 43.02 40.08 3ca0 s PHE 43 CO 0.04 0.10 -0.08 0.34 -0.10 0.00 0.00 175.22 175.52 3ca0 s ASP 44 N 0.73 3.14 0.62 1.36 2.15 -1.16 -1.81 116.67 121.71 3ca0 s ASP 44 Ca 0.06 -1.18 0.33 0.00 0.43 0.00 0.00 52.55 52.19 3ca0 s ASP 44 Cb -0.13 -0.24 1.89 0.00 -0.30 0.00 0.00 42.92 44.14 3ca0 s ASP 44 CO 0.02 -0.27 2.16 0.28 -0.17 0.00 0.00 175.17 177.19 3ca0 h SER 45 N 2.19 0.00 -0.00 -0.34 0.02 -1.76 -0.91 113.55 112.75 3ca0 h SER 45 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3ca0 h SER 45 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3ca0 h SER 45 CO 0.68 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.47 3ca0 n ASP 46 N -3.45 0.02 -0.49 3.07 5.68 -1.26 -4.89 116.55 115.23 3ca0 n ASP 46 Ca -0.01 -1.49 -0.06 0.00 -0.50 0.00 0.00 54.79 52.73 3ca0 n ASP 46 Cb 0.24 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 3ca0 n ASP 46 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3ca0 n ASP 47 N -0.74 -4.36 -4.91 -1.12 8.00 -0.35 -4.89 116.55 108.18 3ca0 n ASP 47 Ca 0.12 0.16 -0.27 0.00 0.71 0.00 0.00 54.79 55.51 3ca0 n ASP 47 Cb 0.06 -2.42 -0.00 0.00 -0.02 0.00 0.00 41.12 38.74 3ca0 n ASP 47 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ca0 s THR 48 N -2.04 4.85 -0.22 -3.53 -4.23 -1.26 -1.09 115.64 108.12 3ca0 s THR 48 Ca 0.00 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.57 3ca0 s THR 48 Cb 0.00 -3.83 0.06 0.00 1.34 0.00 0.00 72.50 70.07 3ca0 s THR 48 CO 0.00 -0.77 0.02 -0.63 -0.54 0.00 0.00 174.62 172.69 3ca0 s ILE 49 N -2.69 0.86 -0.02 2.99 1.01 -1.26 -2.96 121.20 119.13 3ca0 s ILE 49 Ca 0.47 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 60.34 3ca0 s ILE 49 Cb -0.10 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 3ca0 s ILE 49 CO 0.43 -0.24 -0.26 -0.13 0.00 0.00 0.00 174.94 174.75 3ca0 s ARG 50 N 1.69 2.12 -0.01 2.79 0.52 -0.19 -0.42 118.95 125.44 3ca0 s ARG 50 Ca -0.01 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 3ca0 s ARG 50 Cb -0.18 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.26 3ca0 s ARG 50 CO -0.10 0.55 -0.04 0.45 0.02 0.00 0.00 175.30 176.19 3ca0 s SER 51 N -0.60 0.55 -1.71 0.23 0.15 -0.25 -0.56 113.70 111.52 3ca0 s SER 51 Ca 0.10 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.67 3ca0 s SER 51 Cb -0.10 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 3ca0 s SER 51 CO -0.01 0.02 0.00 0.23 1.20 0.00 0.00 173.24 174.68 3ca0 n MET 52 N 3.25 -1.75 -0.97 5.44 2.81 -1.26 -1.39 117.12 123.25 3ca0 n MET 52 Ca -0.16 0.97 0.00 0.00 -1.81 0.00 0.00 57.70 56.70 3ca0 n MET 52 Cb 0.56 -5.62 0.00 0.00 -0.71 0.00 0.00 33.22 27.45 3ca0 n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ca0 n GLY 53 N -0.98 0.78 3.59 3.03 0.00 -1.26 -5.02 105.19 105.34 3ca0 n GLY 53 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3ca0 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ca0 s LYS 54 N -0.12 1.91 -0.07 1.61 1.02 -0.49 -4.70 119.74 118.90 3ca0 s LYS 54 Ca 0.00 -2.03 -0.07 0.00 0.02 0.00 0.00 55.97 53.89 3ca0 s LYS 54 Cb 0.00 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.59 3ca0 s LYS 54 CO 0.00 0.03 0.19 0.00 -0.92 0.00 0.00 175.35 174.65 3ca0 s MET 56 N -1.31 4.14 -0.03 0.00 1.75 0.44 -1.48 119.30 122.82 3ca0 s MET 56 Ca 0.20 2.58 0.01 0.00 -1.25 0.00 0.00 55.69 57.23 3ca0 s MET 56 Cb -0.13 -3.84 0.02 0.00 2.84 0.00 0.00 34.83 33.72 3ca0 s MET 56 CO 0.09 -0.89 -0.03 0.99 -0.65 0.00 0.00 175.02 174.54 3ca0 s THR 57 N 3.49 0.35 -0.12 10.11 2.01 0.31 -4.50 115.64 127.28 3ca0 s THR 57 Ca 0.83 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.47 3ca0 s THR 57 Cb -0.44 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 3ca0 s THR 57 CO 0.38 0.16 1.29 0.00 -0.69 0.00 0.00 174.62 175.76 3ca0 s ALA 58 N 0.65 3.62 -0.04 7.40 0.00 0.03 -0.76 121.76 132.66 3ca0 s ALA 58 Ca -0.07 0.57 0.31 0.00 0.00 0.00 0.00 51.96 52.77 3ca0 s ALA 58 Cb -0.11 -3.61 1.16 0.00 0.00 0.00 0.00 23.12 20.56 3ca0 s ALA 58 CO -0.01 -1.08 1.90 -0.97 0.00 0.00 0.00 175.76 175.60 3ca0 h ASN 59 N 8.12 0.00 -5.02 0.00 -1.24 -1.24 -3.46 115.58 112.75 3ca0 h ASN 59 Ca -0.30 0.00 0.01 0.00 0.71 0.00 0.00 56.30 56.71 3ca0 h ASN 59 Cb 1.13 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.17 3ca0 h ASN 59 CO 0.94 0.00 0.28 -0.83 -1.29 0.00 0.00 177.43 176.53 3ca0 s GLY 60 N -4.15 0.27 -0.14 1.57 0.00 -1.26 -4.95 107.32 98.67 3ca0 s GLY 60 Ca 0.02 -0.65 0.15 0.00 0.00 0.00 0.00 44.72 44.25 3ca0 s GLY 60 CO 0.56 -0.16 1.37 1.04 0.00 0.00 0.00 173.10 175.91 3ca0 n LEU 61 N -0.52 3.59 -4.90 0.66 4.77 -1.26 -4.85 117.00 114.48 3ca0 n LEU 61 Ca -0.07 -2.83 -0.31 0.00 -0.03 0.00 0.00 56.01 52.77 3ca0 n LEU 61 Cb 0.60 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3ca0 n LEU 61 CO 0.24 0.68 0.02 0.20 -1.33 0.00 0.00 177.39 177.21 3ca0 s ASN 62 N -1.82 6.47 0.23 -1.43 0.01 -1.26 -4.84 114.94 112.30 3ca0 s ASN 62 Ca 0.37 0.56 -0.32 0.00 -0.71 0.00 0.00 52.86 52.76 3ca0 s ASN 62 Cb 0.29 -2.08 -0.14 0.00 0.41 0.00 0.00 41.25 39.74 3ca0 s ASN 62 CO 0.09 0.04 1.43 -3.20 -1.51 0.00 0.00 177.10 173.95 3ca0 n ASN 63 N 0.00 2.77 0.00 -1.22 5.15 -1.26 -2.21 115.26 118.49 3ca0 n ASN 63 Ca -0.03 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.09 3ca0 n ASN 63 Cb 0.52 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 3ca0 n ASN 63 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ca0 n GLY 64 N 2.31 0.73 3.82 8.20 0.00 0.12 -5.00 105.19 115.37 3ca0 n GLY 64 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3ca0 n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ca0 s SER 65 N -2.96 5.89 0.50 1.61 1.04 -0.94 -4.77 113.70 114.07 3ca0 s SER 65 Ca 0.00 1.72 -0.20 0.00 0.48 0.00 0.00 55.95 57.95 3ca0 s SER 65 Cb 0.00 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 3ca0 s SER 65 CO 0.00 -1.10 1.04 0.20 0.98 0.00 0.00 173.24 174.36 3ca0 s ASN 66 N -3.07 6.28 -0.16 7.02 -0.87 -1.26 -0.53 114.94 122.34 3ca0 s ASN 66 Ca 0.61 1.90 -0.06 0.00 -1.57 0.00 0.00 52.86 53.74 3ca0 s ASN 66 Cb -0.14 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.49 3ca0 s ASN 66 CO 0.40 -0.82 0.05 -0.63 -2.57 0.00 0.00 177.10 173.53 3ca0 s ILE 67 N -2.06 4.73 0.20 0.60 1.01 -0.61 -0.66 121.20 124.41 3ca0 s ILE 67 Ca 0.67 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.26 3ca0 s ILE 67 Cb -0.16 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 3ca0 s ILE 67 CO 0.22 0.49 0.06 0.68 0.00 0.00 0.00 174.94 176.40 3ca0 s VAL 68 N 0.10 0.45 0.24 2.92 -7.23 0.06 -1.70 120.40 115.24 3ca0 s VAL 68 Ca 0.05 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.06 3ca0 s VAL 68 Cb -0.12 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.38 3ca0 s VAL 68 CO 0.01 -0.23 0.70 -0.51 -0.31 0.00 0.00 175.10 174.76 3ca0 s ILE 69 N -3.82 4.65 -0.23 -0.62 1.10 -0.38 -0.53 121.20 121.35 3ca0 s ILE 69 Ca 0.31 1.11 -0.26 0.00 -0.51 0.00 0.00 60.65 61.30 3ca0 s ILE 69 Cb 0.07 -3.77 0.09 0.00 0.15 0.00 0.00 42.46 39.00 3ca0 s ILE 69 CO 0.08 0.09 0.81 0.12 -2.11 0.00 0.00 174.94 173.94 3ca0 s PHE 70 N -1.65 -0.66 -0.28 3.50 5.36 -0.55 -0.67 117.98 123.03 3ca0 s PHE 70 Ca 0.46 1.52 -0.42 0.00 -0.96 0.00 0.00 56.93 57.53 3ca0 s PHE 70 Cb -0.14 0.33 -0.17 0.00 -0.34 0.00 0.00 43.02 42.69 3ca0 s PHE 70 CO 0.20 -0.37 1.60 -1.71 -1.46 0.00 0.00 175.22 173.48 3ca0 n ASN 71 N 2.17 1.77 -0.16 6.13 2.85 -1.26 -0.22 115.26 126.54 3ca0 n ASN 71 Ca -0.14 1.12 0.01 0.00 -0.11 0.00 0.00 54.58 55.46 3ca0 n ASN 71 Cb 0.56 -1.05 0.29 0.00 1.24 0.00 0.00 39.78 40.81 3ca0 n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ca0 h SER 73 N 0.91 0.00 0.71 0.00 4.64 -1.97 -3.34 113.55 114.50 3ca0 h SER 73 Ca 0.24 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 3ca0 h SER 73 Cb -0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3ca0 h SER 73 CO -0.05 0.98 -1.36 0.35 -0.87 0.00 0.00 176.83 175.88 3ca0 n THR 74 N -3.30 0.88 -1.66 2.95 -2.24 -1.16 -4.88 114.28 104.87 3ca0 n THR 74 Ca -0.02 -0.63 -0.34 0.00 -2.27 0.00 0.00 64.05 60.79 3ca0 n THR 74 Cb 0.95 -0.51 0.06 0.00 -2.10 0.00 0.00 70.33 68.73 3ca0 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ca0 s ALA 75 N -3.13 2.34 0.35 6.98 0.00 -0.65 -4.98 121.76 122.67 3ca0 s ALA 75 Ca -0.03 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.36 3ca0 s ALA 75 Cb 0.09 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 3ca0 s ALA 75 CO 0.81 -1.49 1.28 0.00 0.00 0.00 0.00 175.76 176.36 3ca0 s ALA 76 N -2.15 3.41 0.33 0.00 0.00 -1.26 -4.92 121.76 117.17 3ca0 s ALA 76 Ca 0.70 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.89 3ca0 s ALA 76 Cb -0.24 -3.46 0.62 0.00 0.00 0.00 0.00 23.12 20.04 3ca0 s ALA 76 CO 0.42 -0.63 1.95 1.49 0.00 0.00 0.00 175.76 178.99 3ca0 h GLU 77 N 3.20 0.88 0.00 0.00 4.57 -1.93 -0.60 114.58 120.69 3ca0 h GLU 77 Ca -0.49 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.60 3ca0 h GLU 77 Cb 1.23 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 3ca0 h GLU 77 CO 0.65 0.58 -0.17 -0.91 -1.18 0.00 0.00 179.01 177.97 3ca0 h ASN 78 N 0.90 0.00 1.83 1.04 2.35 -1.95 -2.72 115.58 117.02 3ca0 h ASN 78 Ca 0.32 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3ca0 h ASN 78 Cb 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3ca0 h ASN 78 CO -0.10 0.17 -0.17 0.00 -1.65 0.00 0.00 177.43 175.68 3ca0 h ALA 79 N 1.83 0.90 -0.04 -0.83 0.00 -1.43 -3.36 119.26 116.32 3ca0 h ALA 79 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ca0 h ALA 79 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ca0 h ALA 79 CO 0.02 0.14 0.00 0.44 0.00 0.00 0.00 179.25 179.85 3ca0 n ILE 80 N -3.10 0.09 -4.00 0.00 -5.35 -1.03 -0.79 119.36 105.18 3ca0 n ILE 80 Ca 0.03 -0.55 -0.35 0.00 -0.27 0.00 0.00 62.75 61.62 3ca0 n ILE 80 Cb 0.58 1.17 -0.09 0.00 -1.74 0.00 0.00 39.64 39.55 3ca0 n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3ca0 s LYS 81 N -0.94 3.78 0.06 6.28 1.02 -1.19 -4.15 119.74 124.60 3ca0 s LYS 81 Ca 0.14 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 55.85 3ca0 s LYS 81 Cb 0.10 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 3ca0 s LYS 81 CO 0.14 0.42 -0.08 -1.58 -0.92 0.00 0.00 175.35 173.33 3ca0 s TRP 82 N -0.04 0.74 0.13 3.18 0.52 -0.25 -4.06 118.94 119.17 3ca0 s TRP 82 Ca 0.07 -0.60 0.08 0.00 0.02 0.00 0.00 56.10 55.67 3ca0 s TRP 82 Cb -0.12 -0.44 -0.04 0.00 -1.15 0.00 0.00 33.47 31.72 3ca0 s TRP 82 CO 0.01 -0.10 -0.20 -2.00 0.02 0.00 0.00 176.95 174.69 3ca0 s GLU 83 N -2.15 1.20 -0.59 4.98 2.56 0.22 -4.77 118.70 120.14 3ca0 s GLU 83 Ca -0.04 -1.29 0.04 0.00 0.00 0.00 0.00 54.97 53.69 3ca0 s GLU 83 Cb -0.06 -1.36 0.15 0.00 2.00 0.00 0.00 34.13 34.86 3ca0 s GLU 83 CO -0.01 0.30 0.36 0.08 -0.56 0.00 0.00 175.26 175.42 3ca0 s VAL 84 N -1.61 2.68 0.92 3.70 1.01 -1.26 -1.16 120.40 124.67 3ca0 s VAL 84 Ca 0.11 -3.71 -0.10 0.00 0.00 0.00 0.00 61.98 58.28 3ca0 s VAL 84 Cb -0.08 -2.82 0.14 0.00 0.00 0.00 0.00 36.38 33.62 3ca0 s VAL 84 CO 0.05 -0.89 1.09 -2.65 0.00 0.00 0.00 175.10 172.70 3ca0 n PRO 85 N 2.64 -0.43 0.28 2.72 -0.02 -1.21 -4.89 135.00 134.08 3ca0 n PRO 85 Ca 0.11 -0.06 0.16 0.00 -2.02 0.00 0.00 63.50 61.69 3ca0 n PRO 85 Cb 0.33 -2.34 0.84 0.00 -0.02 0.00 0.00 33.50 32.31 3ca0 n PRO 85 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3ca0 h ILE 86 N -1.85 0.32 -0.04 4.25 3.07 -1.99 -2.84 117.51 118.43 3ca0 h ILE 86 Ca -0.43 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 65.58 3ca0 h ILE 86 Cb 1.27 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.12 3ca0 h ILE 86 CO 0.41 0.06 0.00 -0.90 -1.05 0.00 0.00 178.15 176.67 3ca0 n ASP 87 N -3.40 0.49 0.00 2.16 3.85 -1.26 -4.88 116.55 113.51 3ca0 n ASP 87 Ca -0.02 -1.42 0.00 0.00 -0.71 0.00 0.00 54.79 52.65 3ca0 n ASP 87 Cb 0.21 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 3ca0 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ca0 n GLY 88 N 0.93 0.72 3.83 6.12 0.00 -1.07 -4.88 105.19 110.83 3ca0 n GLY 88 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3ca0 n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca0 s SER 89 N -2.59 6.11 -0.25 1.61 0.01 -1.26 -0.65 113.70 116.68 3ca0 s SER 89 Ca 0.00 1.65 0.03 0.00 1.31 0.00 0.00 55.95 58.93 3ca0 s SER 89 Cb 0.00 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.78 3ca0 s SER 89 CO 0.00 -0.94 -0.11 -0.63 0.41 0.00 0.00 173.24 171.97 3ca0 s ILE 90 N -2.68 2.07 -0.00 1.44 1.01 -1.26 -3.34 121.20 118.43 3ca0 s ILE 90 Ca 0.60 -1.53 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3ca0 s ILE 90 Cb -0.13 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3ca0 s ILE 90 CO 0.39 0.00 -0.06 -0.51 0.00 0.00 0.00 174.94 174.77 3ca0 s ILE 91 N 1.16 3.72 -0.50 2.92 2.07 -0.31 -0.63 121.20 129.63 3ca0 s ILE 91 Ca -0.08 -0.72 -0.20 0.00 -1.41 0.00 0.00 60.65 58.25 3ca0 s ILE 91 Cb -0.19 -2.61 0.05 0.00 0.13 0.00 0.00 42.46 39.84 3ca0 s ILE 91 CO -0.06 0.41 0.64 0.21 -1.91 0.00 0.00 174.94 174.24 3ca0 s ASN 92 N -1.37 6.25 0.51 4.50 3.84 -0.18 -0.61 114.94 127.87 3ca0 s ASN 92 Ca 0.17 -0.77 0.25 0.00 0.21 0.00 0.00 52.86 52.72 3ca0 s ASN 92 Cb -0.11 -2.30 1.38 0.00 -0.55 0.00 0.00 41.25 39.67 3ca0 s ASN 92 CO 0.07 -0.89 2.06 -0.65 -2.79 0.00 0.00 177.10 174.91 3ca0 h PRO 93 N 8.99 0.00 -0.12 0.43 0.11 -1.87 0.27 132.00 139.82 3ca0 h PRO 93 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3ca0 h PRO 93 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ca0 h PRO 93 CO 0.96 0.13 -0.02 1.03 -0.21 0.00 0.00 178.00 179.89 3ca0 h SER 94 N 0.00 0.23 1.02 -2.05 0.87 -1.85 -3.21 113.55 108.56 3ca0 h SER 94 Ca -0.00 -0.35 -0.12 0.00 -1.23 0.00 0.00 61.79 60.09 3ca0 h SER 94 Cb 0.32 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3ca0 h SER 94 CO 0.02 0.52 -1.03 0.77 -0.53 0.00 0.00 176.83 176.57 3ca0 h SER 95 N -0.07 0.00 0.00 6.23 4.64 -1.80 -3.48 113.55 119.07 3ca0 h SER 95 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3ca0 h SER 95 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3ca0 h SER 95 CO 0.01 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 3ca0 n GLY 96 N 1.30 1.36 3.87 -0.77 0.00 0.93 -5.03 105.19 106.86 3ca0 n GLY 96 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3ca0 n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca0 s LEU 97 N 0.00 3.22 0.07 0.99 1.43 -1.24 -4.62 118.68 118.54 3ca0 s LEU 97 Ca 0.00 1.36 0.07 0.00 -1.03 0.00 0.00 54.13 54.53 3ca0 s LEU 97 Cb 0.00 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 3ca0 s LEU 97 CO 0.00 -0.90 -0.20 0.68 0.23 0.00 0.00 176.35 176.16 3ca0 s VAL 98 N -3.17 1.63 0.20 -1.59 -7.23 0.18 -1.01 120.40 109.40 3ca0 s VAL 98 Ca 0.55 -1.36 -0.31 0.00 -1.81 0.00 0.00 61.98 59.05 3ca0 s VAL 98 Cb -0.11 -1.46 -0.10 0.00 0.56 0.00 0.00 36.38 35.27 3ca0 s VAL 98 CO 0.53 0.04 1.54 -0.32 -0.31 0.00 0.00 175.10 176.58 3ca0 s MET 99 N -1.56 4.22 -0.03 4.82 1.75 0.20 -1.66 119.30 127.04 3ca0 s MET 99 Ca 0.06 2.37 0.02 0.00 -1.25 0.00 0.00 55.69 56.88 3ca0 s MET 99 Cb -0.09 -3.13 0.01 0.00 2.84 0.00 0.00 34.83 34.45 3ca0 s MET 99 CO 0.03 -0.56 -0.06 0.99 -0.65 0.00 0.00 175.02 174.77 3ca0 s THR 100 N 0.76 0.56 -0.66 10.11 2.01 0.51 -4.51 115.64 124.42 3ca0 s THR 100 Ca 0.67 -0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.32 3ca0 s THR 100 Cb -0.44 -0.53 0.17 0.00 0.01 0.00 0.00 72.50 71.71 3ca0 s THR 100 CO 0.36 0.20 0.59 0.00 -0.69 0.00 0.00 174.62 175.07 3ca0 s ALA 101 N 0.38 3.79 0.30 7.40 0.00 -0.04 -1.40 121.76 132.20 3ca0 s ALA 101 Ca -0.05 -2.94 0.20 0.00 0.00 0.00 0.00 51.96 49.18 3ca0 s ALA 101 Cb -0.09 -3.25 0.97 0.00 0.00 0.00 0.00 23.12 20.75 3ca0 s ALA 101 CO 0.00 -2.12 1.88 -1.00 0.00 0.00 0.00 175.76 174.52 3ca0 h PRO 102 N 8.19 0.00 -5.81 0.00 0.13 -1.86 -3.44 132.00 129.21 3ca0 h PRO 102 Ca -0.09 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.45 3ca0 h PRO 102 Cb 1.06 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.05 3ca0 h PRO 102 CO 0.86 0.27 -0.67 1.03 -0.23 0.00 0.00 178.00 179.27 3ca0 s ARG 103 N -3.98 1.77 0.21 0.86 1.81 -1.26 -5.08 118.95 113.28 3ca0 s ARG 103 Ca -0.02 -1.92 0.18 0.00 -1.72 0.00 0.00 55.73 52.25 3ca0 s ARG 103 Cb 0.13 -1.56 0.02 0.00 -0.45 0.00 0.00 34.95 33.08 3ca0 s ARG 103 CO 0.66 0.09 1.16 0.00 -0.68 0.00 0.00 175.30 176.54 3ca0 h ALA 104 N 2.05 0.67 -2.76 2.13 0.00 -1.96 -3.47 119.26 115.93 3ca0 h ALA 104 Ca -0.42 -0.43 -0.52 0.00 0.00 0.00 0.00 54.91 53.55 3ca0 h ALA 104 Cb 1.25 0.07 0.09 0.00 0.00 0.00 0.00 17.79 19.19 3ca0 h ALA 104 CO 0.71 0.50 0.50 0.00 0.00 0.00 0.00 179.25 180.96 3ca0 s ALA 105 N -3.07 2.83 0.60 0.00 0.00 -1.26 -4.86 121.76 115.99 3ca0 s ALA 105 Ca 0.01 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 3ca0 s ALA 105 Cb 0.08 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 3ca0 s ALA 105 CO 0.77 -0.88 1.02 -1.13 0.00 0.00 0.00 175.76 175.53 3ca0 n SER 106 N -0.89 1.00 0.00 0.00 3.41 -1.26 -2.01 113.62 113.86 3ca0 n SER 106 Ca 0.10 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 3ca0 n SER 106 Cb 0.48 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 3ca0 n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ca0 n ARG 107 N -1.05 0.00 -1.71 4.33 1.74 0.67 -4.97 116.66 115.67 3ca0 n ARG 107 Ca 0.14 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 3ca0 n ARG 107 Cb 0.47 -2.34 -0.03 0.00 -1.02 0.00 0.00 32.46 29.54 3ca0 n ARG 107 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3ca0 n THR 108 N -2.00 0.48 -2.98 0.55 -1.04 -0.85 -4.66 114.28 103.77 3ca0 n THR 108 Ca 0.00 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.05 61.54 3ca0 n THR 108 Cb 0.00 -1.78 -0.06 0.00 -1.82 0.00 0.00 70.33 66.67 3ca0 n THR 108 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3ca0 s ILE 109 N 0.53 4.46 0.07 12.58 -4.36 -1.26 -0.99 121.20 132.23 3ca0 s ILE 109 Ca 0.71 1.41 -0.12 0.00 -0.26 0.00 0.00 60.65 62.39 3ca0 s ILE 109 Cb -0.57 -3.84 -0.06 0.00 1.25 0.00 0.00 42.46 39.24 3ca0 s ILE 109 CO 0.42 0.07 0.44 -0.76 0.24 0.00 0.00 174.94 175.35 3ca0 s LEU 110 N -2.28 4.38 0.20 0.37 1.43 -0.55 -4.45 118.68 117.78 3ca0 s LEU 110 Ca 0.49 0.91 0.08 0.00 -1.03 0.00 0.00 54.13 54.58 3ca0 s LEU 110 Cb -0.15 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 3ca0 s LEU 110 CO 0.20 0.20 -0.16 -0.76 0.23 0.00 0.00 176.35 176.06 3ca0 s LEU 111 N -1.68 2.52 -0.24 1.79 1.43 -0.49 -1.57 118.68 120.44 3ca0 s LEU 111 Ca 0.31 -0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 3ca0 s LEU 111 Cb -0.15 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 3ca0 s LEU 111 CO 0.17 -0.10 0.29 -0.76 0.23 0.00 0.00 176.35 176.18 3ca0 s LEU 112 N -3.13 4.10 0.13 1.79 1.43 0.31 -0.36 118.68 122.96 3ca0 s LEU 112 Ca 0.21 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3ca0 s LEU 112 Cb -0.03 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 3ca0 s LEU 112 CO 0.08 -0.05 0.02 -1.61 0.23 0.00 0.00 176.35 175.01 3ca0 s GLU 113 N 1.43 0.95 0.26 1.70 2.02 -0.66 0.14 118.70 124.54 3ca0 s GLU 113 Ca 0.13 -1.44 -0.31 0.00 0.02 0.00 0.00 54.97 53.38 3ca0 s GLU 113 Cb -0.15 0.02 -0.13 0.00 0.10 0.00 0.00 34.13 33.98 3ca0 s GLU 113 CO 0.07 -0.18 1.41 -0.25 0.02 0.00 0.00 175.26 176.33 3ca0 n ASP 114 N -0.12 2.85 -4.66 -0.19 8.00 -1.26 -0.65 116.55 120.52 3ca0 n ASP 114 Ca -0.07 1.15 -0.43 0.00 0.71 0.00 0.00 54.79 56.15 3ca0 n ASP 114 Cb 0.63 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.25 3ca0 n ASP 114 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ca0 s ASN 115 N 0.22 6.74 -0.07 -2.24 2.47 -1.26 -4.83 114.94 115.96 3ca0 s ASN 115 Ca 0.66 2.00 0.10 0.00 0.42 0.00 0.00 52.86 56.04 3ca0 s ASN 115 Cb -0.62 -2.53 0.16 0.00 -1.45 0.00 0.00 41.25 36.80 3ca0 s ASN 115 CO 0.51 -0.90 1.05 2.30 -3.72 0.00 0.00 177.10 176.35 3ca0 n ILE 116 N 5.53 1.34 -3.06 -5.21 -5.35 -1.26 -4.99 119.36 106.35 3ca0 n ILE 116 Ca 0.16 -1.54 -0.23 0.00 -0.27 0.00 0.00 62.75 60.88 3ca0 n ILE 116 Cb 0.44 0.13 0.04 0.00 -1.74 0.00 0.00 39.64 38.50 3ca0 n ILE 116 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3ca0 n TYR 117 N -0.93 -2.00 -2.49 4.28 4.02 -1.26 -4.72 117.16 114.05 3ca0 n TYR 117 Ca 0.09 0.54 -0.33 0.00 -0.01 0.00 0.00 57.90 58.19 3ca0 n TYR 117 Cb 0.51 -4.44 -0.04 0.00 -0.02 0.00 0.00 39.34 35.35 3ca0 n TYR 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ca0 s ALA 118 N -3.17 2.94 0.58 -0.72 0.00 -1.26 -4.25 121.76 115.87 3ca0 s ALA 118 Ca 0.32 0.41 0.27 0.00 0.00 0.00 0.00 51.96 52.96 3ca0 s ALA 118 Cb -0.14 -3.19 1.67 0.00 0.00 0.00 0.00 23.12 21.46 3ca0 s ALA 118 CO 0.40 -0.26 2.20 0.00 0.00 0.00 0.00 175.76 178.09 3ca0 h ALA 119 N 1.30 1.70 0.00 0.00 0.00 -1.10 0.11 119.26 121.28 3ca0 h ALA 119 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ca0 h ALA 119 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ca0 h ALA 119 CO 0.60 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 3ca0 n SER 120 N -3.98 0.00 -0.63 0.00 3.41 -0.94 -2.38 113.62 109.10 3ca0 n SER 120 Ca -0.02 0.48 0.06 0.00 -0.26 0.00 0.00 58.87 59.13 3ca0 n SER 120 Cb 0.15 -0.49 0.16 0.00 -0.26 0.00 0.00 64.21 63.77 3ca0 n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ca0 n GLN 121 N -1.49 2.88 -3.72 4.33 6.02 0.39 -0.86 117.38 124.93 3ca0 n GLN 121 Ca 0.03 -2.15 -0.37 0.00 -0.01 0.00 0.00 57.00 54.50 3ca0 n GLN 121 Cb 0.15 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 3ca0 n GLN 121 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3ca0 s GLY 122 N -1.18 2.26 0.04 1.08 0.00 -1.00 -4.23 107.32 104.29 3ca0 s GLY 122 Ca 0.25 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 3ca0 s GLY 122 CO 0.13 -0.11 0.09 -0.98 0.00 0.00 0.00 173.10 172.23 3ca0 s TRP 123 N -0.83 0.24 -0.09 1.90 0.52 0.18 -4.11 118.94 116.74 3ca0 s TRP 123 Ca 0.18 -0.59 -0.01 0.00 0.02 0.00 0.00 56.10 55.70 3ca0 s TRP 123 Cb -0.14 -0.17 0.03 0.00 -1.15 0.00 0.00 33.47 32.04 3ca0 s TRP 123 CO 0.07 -0.38 -0.04 0.99 0.02 0.00 0.00 176.95 177.61 3ca0 s THR 124 N -2.90 0.68 -0.45 2.01 2.01 0.61 -4.54 115.64 113.06 3ca0 s THR 124 Ca -0.02 -0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 3ca0 s THR 124 Cb 0.01 -0.77 0.03 0.00 0.01 0.00 0.00 72.50 71.77 3ca0 s THR 124 CO -0.06 0.31 0.76 -0.69 -0.69 0.00 0.00 174.62 174.25 3ca0 s VAL 125 N 1.81 4.67 0.02 3.82 1.01 -1.26 -0.72 120.40 129.75 3ca0 s VAL 125 Ca 0.04 0.34 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 3ca0 s VAL 125 Cb -0.12 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.03 3ca0 s VAL 125 CO -0.06 -0.72 0.74 0.28 0.00 0.00 0.00 175.10 175.33 3ca0 s THR 126 N 3.23 0.00 -0.47 3.92 -1.32 -0.66 -4.97 115.64 115.36 3ca0 s THR 126 Ca 0.28 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.00 3ca0 s THR 126 Cb -0.13 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.88 3ca0 s THR 126 CO 0.22 0.00 1.18 0.78 -2.21 0.00 0.00 174.62 174.59 3ca0 h ASN 127 N 2.40 0.00 -3.26 8.08 2.35 -1.90 -0.91 115.58 122.33 3ca0 h ASN 127 Ca -0.27 -0.14 -0.61 0.00 -0.55 0.00 0.00 56.30 54.73 3ca0 h ASN 127 Cb 1.22 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.47 3ca0 h ASN 127 CO 0.36 0.07 0.54 0.21 -1.65 0.00 0.00 177.43 176.96 3ca0 s ASN 128 N -4.71 6.35 -0.01 5.81 2.47 -1.26 -4.90 114.94 118.69 3ca0 s ASN 128 Ca 0.03 -0.32 0.17 0.00 0.42 0.00 0.00 52.86 53.16 3ca0 s ASN 128 Cb 0.12 -2.43 0.51 0.00 -1.45 0.00 0.00 41.25 38.00 3ca0 s ASN 128 CO 0.76 -1.19 1.42 1.33 -3.72 0.00 0.00 177.10 175.70 3ca0 n VAL 129 N 6.19 0.86 -4.15 -5.21 0.24 -1.26 -4.84 118.33 110.17 3ca0 n VAL 129 Ca 0.02 -0.78 -0.34 0.00 -2.04 0.00 0.00 64.34 61.19 3ca0 n VAL 129 Cb 0.47 0.32 -0.08 0.00 -1.47 0.00 0.00 33.84 33.09 3ca0 n VAL 129 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ca0 s LYS 130 N -1.33 3.09 0.57 7.34 3.01 -1.26 -4.92 119.74 126.24 3ca0 s LYS 130 Ca 0.38 -0.41 -0.20 0.00 -1.01 0.00 0.00 55.97 54.73 3ca0 s LYS 130 Cb 0.21 -2.89 -0.05 0.00 -1.01 0.00 0.00 37.83 34.09 3ca0 s LYS 130 CO 0.25 0.68 1.16 -2.30 0.51 0.00 0.00 175.35 175.65 3ca0 n PRO 131 N 1.57 1.27 -2.96 -1.68 -0.02 -1.26 -4.97 135.00 126.95 3ca0 n PRO 131 Ca -0.16 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 3ca0 n PRO 131 Cb 0.53 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 3ca0 n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ca0 s ILE 132 N -1.38 4.98 -0.22 4.25 1.09 -1.12 -4.84 121.20 123.96 3ca0 s ILE 132 Ca 0.74 1.58 -0.09 0.00 -1.10 0.00 0.00 60.65 61.78 3ca0 s ILE 132 Cb -0.43 -4.11 -0.04 0.00 -1.06 0.00 0.00 42.46 36.82 3ca0 s ILE 132 CO 0.48 0.19 0.11 -0.69 -0.10 0.00 0.00 174.94 174.93 3ca0 s VAL 133 N 1.13 5.01 0.05 2.92 1.01 -1.26 -0.51 120.40 128.76 3ca0 s VAL 133 Ca 0.40 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 3ca0 s VAL 133 Cb -0.18 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3ca0 s VAL 133 CO 0.19 0.38 0.08 0.00 0.00 0.00 0.00 175.10 175.75 3ca0 s ALA 134 N 0.90 0.06 0.42 5.51 0.00 0.33 -1.26 121.76 127.73 3ca0 s ALA 134 Ca 0.06 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 3ca0 s ALA 134 Cb -0.13 0.30 -0.09 0.00 0.00 0.00 0.00 23.12 23.20 3ca0 s ALA 134 CO 0.03 -0.37 0.88 -1.12 0.00 0.00 0.00 175.76 175.18 3ca0 s SER 135 N -2.47 6.76 -0.28 0.00 0.01 0.42 -1.21 113.70 116.93 3ca0 s SER 135 Ca -0.00 1.47 0.02 0.00 1.31 0.00 0.00 55.95 58.76 3ca0 s SER 135 Cb 0.02 -2.46 0.06 0.00 0.21 0.00 0.00 66.02 63.86 3ca0 s SER 135 CO -0.07 -0.39 -0.07 -0.63 0.41 0.00 0.00 173.24 172.49 3ca0 s ILE 136 N -2.27 2.34 -0.15 1.44 1.01 -1.26 -0.50 121.20 121.81 3ca0 s ILE 136 Ca 0.58 -1.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 3ca0 s ILE 136 Cb -0.10 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3ca0 s ILE 136 CO 0.21 -0.11 0.05 -0.69 0.00 0.00 0.00 174.94 174.40 3ca0 s VAL 137 N 1.11 4.73 0.00 2.92 1.01 0.13 -1.05 120.40 129.24 3ca0 s VAL 137 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3ca0 s VAL 137 Cb -0.20 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3ca0 s VAL 137 CO -0.05 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3ca0 n GLY 138 N 2.95 5.48 3.56 4.51 0.00 0.15 -0.62 105.19 121.24 3ca0 n GLY 138 Ca -0.18 -1.16 -0.50 0.00 0.00 0.00 0.00 46.02 44.18 3ca0 n GLY 138 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ca0 n TYR 139 N 0.00 1.15 -2.04 1.61 4.19 -1.25 -0.84 117.16 119.97 3ca0 n TYR 139 Ca 0.00 0.73 -0.20 0.00 3.31 0.00 0.00 57.90 61.74 3ca0 n TYR 139 Cb 0.00 -2.25 -0.04 0.00 0.49 0.00 0.00 39.34 37.54 3ca0 n TYR 139 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 3ca0 n LYS 140 N 1.77 -1.61 -2.44 2.98 5.02 -1.26 -1.89 118.16 120.73 3ca0 n LYS 140 Ca 0.16 1.05 -0.19 0.00 -2.02 0.00 0.00 58.31 57.32 3ca0 n LYS 140 Cb 0.22 -5.59 -0.01 0.00 -0.02 0.00 0.00 35.03 29.64 3ca0 n LYS 140 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ca0 n GLU 141 N -2.69 -1.94 -2.74 1.97 -0.58 -0.02 -5.00 120.64 109.64 3ca0 n GLU 141 Ca -0.22 0.90 -0.23 0.00 -0.42 0.00 0.00 57.16 57.19 3ca0 n GLU 141 Cb 0.67 -5.56 0.03 0.00 -0.57 0.00 0.00 31.44 26.01 3ca0 n GLU 141 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3ca0 s MET 142 N -5.07 2.84 -0.08 3.49 -1.94 -0.79 -4.58 119.30 113.16 3ca0 s MET 142 Ca 0.01 -0.49 -0.01 0.00 -1.71 0.00 0.00 55.69 53.50 3ca0 s MET 142 Cb -0.01 -2.47 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 3ca0 s MET 142 CO 0.02 -0.53 -0.03 0.00 -0.01 0.00 0.00 175.02 174.46 3ca0 s LEU 144 N -0.72 4.39 -0.01 0.00 2.96 -0.22 -1.32 118.68 123.75 3ca0 s LEU 144 Ca 0.11 2.60 0.02 0.00 -0.22 0.00 0.00 54.13 56.65 3ca0 s LEU 144 Cb -0.11 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 3ca0 s LEU 144 CO 0.02 -0.69 -0.08 -1.58 -1.32 0.00 0.00 176.35 172.70 3ca0 s GLN 145 N -0.07 0.77 0.29 1.98 0.74 0.79 -4.49 119.66 119.66 3ca0 s GLN 145 Ca 0.61 -0.29 -0.14 0.00 0.05 0.00 0.00 55.36 55.59 3ca0 s GLN 145 Cb -0.41 -0.74 -0.08 0.00 1.10 0.00 0.00 33.01 32.88 3ca0 s GLN 145 CO 0.40 0.14 0.69 -1.54 -0.55 0.00 0.00 175.29 174.43 3ca0 s SER 146 N 0.00 6.76 -0.14 6.67 1.04 -0.36 -1.72 113.70 125.95 3ca0 s SER 146 Ca 0.00 1.20 0.22 0.00 0.48 0.00 0.00 55.95 57.86 3ca0 s SER 146 Cb -0.06 -2.34 0.46 0.00 0.10 0.00 0.00 66.02 64.19 3ca0 s SER 146 CO -0.00 -0.15 1.15 0.59 0.98 0.00 0.00 173.24 175.81 3ca0 n ASN 147 N -0.20 1.57 0.00 7.02 3.02 -1.26 -4.83 115.26 120.58 3ca0 n ASN 147 Ca 0.02 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 3ca0 n ASN 147 Cb 0.53 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3ca0 n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ca0 n GLY 148 N -0.16 2.30 3.69 7.41 0.00 -1.26 -4.70 105.19 112.47 3ca0 n GLY 148 Ca 0.10 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 3ca0 n GLY 148 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ca0 n GLU 149 N 1.76 2.15 -0.88 1.61 2.13 -1.26 -2.00 120.64 124.15 3ca0 n GLU 149 Ca 0.00 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3ca0 n GLU 149 Cb 0.00 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.33 3ca0 n GLU 149 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3ca0 n ASN 150 N 1.38 -1.65 -4.76 4.31 5.03 0.21 -4.98 115.26 114.79 3ca0 n ASN 150 Ca 0.07 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.29 3ca0 n ASN 150 Cb 0.34 -1.30 -0.05 0.00 -1.02 0.00 0.00 39.78 37.75 3ca0 n ASN 150 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3ca0 s ASN 151 N -2.36 5.22 0.49 6.41 0.01 -0.85 -4.82 114.94 119.04 3ca0 s ASN 151 Ca 0.00 -0.34 -0.24 0.00 -0.71 0.00 0.00 52.86 51.57 3ca0 s ASN 151 Cb 0.00 -1.24 -0.07 0.00 0.41 0.00 0.00 41.25 40.34 3ca0 s ASN 151 CO 0.00 -0.01 1.31 0.61 -1.51 0.00 0.00 177.10 177.50 3ca0 n GLY 152 N -0.93 0.64 3.84 0.66 0.00 -1.26 -1.60 105.19 106.53 3ca0 n GLY 152 Ca -0.08 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3ca0 n GLY 152 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ca0 s VAL 153 N -1.25 4.56 0.39 1.61 -7.23 -0.90 -4.08 120.40 113.50 3ca0 s VAL 153 Ca 0.66 1.16 -0.13 0.00 -1.81 0.00 0.00 61.98 61.85 3ca0 s VAL 153 Cb -0.46 -3.64 0.05 0.00 0.56 0.00 0.00 36.38 32.89 3ca0 s VAL 153 CO 0.54 -0.37 0.76 -1.66 -0.31 0.00 0.00 175.10 174.06 3ca0 s TRP 154 N -2.22 0.28 -0.05 2.82 -2.14 -0.70 -3.88 118.94 113.04 3ca0 s TRP 154 Ca 0.58 -0.92 -0.15 0.00 2.66 0.00 0.00 56.10 58.27 3ca0 s TRP 154 Cb -0.10 0.73 -0.05 0.00 -3.10 0.00 0.00 33.47 30.96 3ca0 s TRP 154 CO 0.20 -1.56 0.40 -1.64 -2.66 0.00 0.00 176.95 171.69 3ca0 s MET 155 N -2.23 4.04 0.17 3.25 -1.94 -1.26 -0.15 119.30 121.18 3ca0 s MET 155 Ca 0.18 0.36 0.00 0.00 -1.71 0.00 0.00 55.69 54.52 3ca0 s MET 155 Cb -0.04 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 33.46 3ca0 s MET 155 CO 0.13 0.52 0.05 -1.21 -0.01 0.00 0.00 175.02 174.50 3ca0 s GLU 156 N -0.49 1.09 0.16 2.03 0.41 -0.44 -4.93 118.70 116.54 3ca0 s GLU 156 Ca 0.23 -1.54 -0.34 0.00 -0.41 0.00 0.00 54.97 52.91 3ca0 s GLU 156 Cb -0.16 -0.01 -0.15 0.00 -1.78 0.00 0.00 34.13 32.04 3ca0 s GLU 156 CO 0.11 -0.24 1.43 -0.25 -0.49 0.00 0.00 175.26 175.83 3ca0 n ASP 157 N -0.22 2.47 -4.75 -0.19 8.00 -1.26 -0.48 116.55 120.11 3ca0 n ASP 157 Ca -0.04 1.11 -0.42 0.00 0.71 0.00 0.00 54.79 56.16 3ca0 n ASP 157 Cb 0.64 -1.35 -0.01 0.00 -0.02 0.00 0.00 41.12 40.39 3ca0 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ca0 s GLU 159 N -1.67 0.26 0.39 0.00 2.02 -1.26 -5.04 118.70 113.40 3ca0 s GLU 159 Ca 0.56 0.23 0.07 0.00 0.02 0.00 0.00 54.97 55.85 3ca0 s GLU 159 Cb -0.50 -0.70 0.80 0.00 0.10 0.00 0.00 34.13 33.83 3ca0 s GLU 159 CO 0.60 -0.29 2.01 0.00 0.02 0.00 0.00 175.26 177.59 3ca0 h ALA 160 N 8.24 1.62 -0.06 5.21 0.00 -2.02 -1.75 119.26 130.51 3ca0 h ALA 160 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ca0 h ALA 160 Cb 1.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3ca0 h ALA 160 CO 0.24 0.31 0.00 0.25 0.00 0.00 0.00 179.25 180.05 3ca0 n THR 161 N -4.42 0.07 -2.67 0.00 -2.24 -1.26 -4.86 114.28 98.90 3ca0 n THR 161 Ca 0.02 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 3ca0 n THR 161 Cb 0.11 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 3ca0 n THR 161 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ca0 s SER 162 N -1.81 6.72 0.43 3.42 0.15 -0.66 -4.89 113.70 117.07 3ca0 s SER 162 Ca 0.36 0.63 0.10 0.00 0.70 0.00 0.00 55.95 57.74 3ca0 s SER 162 Cb 0.19 -2.52 0.95 0.00 -1.71 0.00 0.00 66.02 62.93 3ca0 s SER 162 CO 0.30 -1.05 2.06 -0.07 1.20 0.00 0.00 173.24 175.68 3ca0 h LEU 163 N 10.61 0.31 0.00 3.45 4.07 -1.89 -2.33 115.31 129.53 3ca0 h LEU 163 Ca -0.22 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.72 3ca0 h LEU 163 Cb 1.07 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3ca0 h LEU 163 CO 1.06 0.26 0.00 0.00 -1.08 0.00 0.00 178.44 178.69 3ca0 n GLN 164 N -4.45 0.02 -0.39 1.13 6.02 -1.26 -1.80 117.38 116.65 3ca0 n GLN 164 Ca 0.01 0.16 0.12 0.00 -0.01 0.00 0.00 57.00 57.28 3ca0 n GLN 164 Cb 0.11 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.19 3ca0 n GLN 164 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ca0 n GLN 165 N -1.48 2.77 -4.28 -1.09 6.02 -0.88 -1.22 117.38 117.22 3ca0 n GLN 165 Ca 0.05 -2.69 -0.34 0.00 -0.01 0.00 0.00 57.00 54.01 3ca0 n GLN 165 Cb 0.22 -1.59 -0.12 0.00 1.02 0.00 0.00 30.24 29.77 3ca0 n GLN 165 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca0 s GLN 166 N -1.03 3.72 -0.06 -1.09 -0.21 -0.75 -4.35 119.66 115.89 3ca0 s GLN 166 Ca 0.50 -0.49 0.05 0.00 0.02 0.00 0.00 55.36 55.44 3ca0 s GLN 166 Cb 0.26 -3.00 -0.00 0.00 1.00 0.00 0.00 33.01 31.27 3ca0 s GLN 166 CO 0.33 0.21 -0.21 -1.58 -2.12 0.00 0.00 175.29 171.92 3ca0 s TRP 167 N 0.46 2.13 -0.31 0.91 0.52 -0.35 -1.92 118.94 120.38 3ca0 s TRP 167 Ca -0.02 -0.68 -0.13 0.00 0.02 0.00 0.00 56.10 55.29 3ca0 s TRP 167 Cb -0.14 -1.42 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 3ca0 s TRP 167 CO 0.02 -0.24 0.26 0.00 0.02 0.00 0.00 176.95 177.02 3ca0 s ALA 168 N 0.05 3.52 -0.51 0.98 0.00 0.20 -0.51 121.76 125.48 3ca0 s ALA 168 Ca -0.07 -1.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.52 3ca0 s ALA 168 Cb -0.14 -2.64 0.06 0.00 0.00 0.00 0.00 23.12 20.40 3ca0 s ALA 168 CO 0.04 -0.81 0.61 -0.51 0.00 0.00 0.00 175.76 175.09 3ca0 s LEU 169 N 1.84 5.05 0.41 0.00 1.43 0.34 -0.95 118.68 126.79 3ca0 s LEU 169 Ca 0.09 -0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 52.16 3ca0 s LEU 169 Cb -0.17 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3ca0 s LEU 169 CO 0.11 -0.88 0.70 -0.31 0.23 0.00 0.00 176.35 176.20 3ca0 s TYR 170 N 2.55 3.52 0.45 0.29 1.51 -0.85 -2.80 117.35 122.03 3ca0 s TYR 170 Ca 0.14 0.75 0.36 0.00 -1.01 0.00 0.00 57.07 57.31 3ca0 s TYR 170 Cb -0.20 -2.23 1.84 0.00 -0.11 0.00 0.00 41.96 41.26 3ca0 s TYR 170 CO 0.11 -0.10 2.18 0.78 -1.11 0.00 0.00 175.55 177.42 3ca0 h GLY 171 N 0.78 0.00 0.32 0.71 0.00 -1.85 -1.92 103.07 101.11 3ca0 h GLY 171 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3ca0 h GLY 171 CO 0.63 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.26 3ca0 n ASP 172 N -3.32 0.00 -0.67 0.19 5.68 -1.22 -2.29 116.55 114.91 3ca0 n ASP 172 Ca -0.02 -1.61 -0.07 0.00 -0.50 0.00 0.00 54.79 52.60 3ca0 n ASP 172 Cb 0.18 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.15 3ca0 n ASP 172 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ca0 n ARG 173 N -0.66 -0.50 -3.86 0.11 5.12 -0.72 -4.19 116.66 111.95 3ca0 n ARG 173 Ca 0.07 0.44 -0.23 0.00 -1.93 0.00 0.00 57.85 56.20 3ca0 n ARG 173 Cb 0.03 -4.27 -0.02 0.00 -1.16 0.00 0.00 32.46 27.04 3ca0 n ARG 173 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3ca0 s THR 174 N -2.30 5.25 -0.27 0.55 -4.23 -1.25 -0.86 115.64 112.53 3ca0 s THR 174 Ca 0.00 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 3ca0 s THR 174 Cb 0.00 -3.83 0.07 0.00 1.34 0.00 0.00 72.50 70.08 3ca0 s THR 174 CO 0.00 -0.31 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.06 3ca0 s ILE 175 N -1.98 2.08 0.12 2.99 1.01 -1.26 -2.01 121.20 122.15 3ca0 s ILE 175 Ca 0.35 -1.69 0.04 0.00 0.00 0.00 0.00 60.65 59.36 3ca0 s ILE 175 Cb -0.10 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3ca0 s ILE 175 CO 0.30 -0.13 0.07 -0.13 0.00 0.00 0.00 174.94 175.04 3ca0 s ARG 176 N 1.12 2.75 -0.02 2.79 0.52 -0.12 -0.75 118.95 125.24 3ca0 s ARG 176 Ca -0.05 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.04 3ca0 s ARG 176 Cb -0.20 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.58 3ca0 s ARG 176 CO -0.06 0.53 1.86 0.08 0.02 0.00 0.00 175.30 177.72 3ca0 s VAL 177 N -1.50 3.24 0.29 3.52 1.01 -0.62 -0.63 120.40 125.71 3ca0 s VAL 177 Ca 0.29 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.57 3ca0 s VAL 177 Cb -0.11 -3.20 0.12 0.00 0.00 0.00 0.00 36.38 33.20 3ca0 s VAL 177 CO 0.21 -0.04 1.80 -1.13 0.00 0.00 0.00 175.10 175.94 3ca0 h ASN 178 N 10.46 0.62 1.40 3.32 -1.24 -1.68 -1.71 115.58 126.75 3ca0 h ASN 178 Ca -0.45 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.42 3ca0 h ASN 178 Cb 1.21 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.10 3ca0 h ASN 178 CO 0.95 0.71 0.00 0.77 -1.29 0.00 0.00 177.43 178.57 3ca0 h SER 179 N 0.61 0.00 -2.08 1.15 4.64 -1.85 -3.39 113.55 112.64 3ca0 h SER 179 Ca 0.12 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.93 3ca0 h SER 179 Cb 0.43 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.18 3ca0 h SER 179 CO 0.02 0.00 -0.91 0.41 -0.87 0.00 0.00 176.83 175.48 3ca0 n THR 180 N -2.93 -0.97 1.72 2.95 -1.04 -0.65 -5.01 114.28 108.35 3ca0 n THR 180 Ca 0.02 -3.09 0.12 0.00 -2.04 0.00 0.00 64.05 59.06 3ca0 n THR 180 Cb 0.39 -1.23 0.72 0.00 -1.82 0.00 0.00 70.33 68.39 3ca0 n THR 180 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ca0 n ARG 181 N 2.68 0.86 0.00 -2.82 1.74 -1.14 -1.45 116.66 116.52 3ca0 n ARG 181 Ca 0.27 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.50 3ca0 n ARG 181 Cb 0.50 -1.44 0.73 0.00 -1.02 0.00 0.00 32.46 31.23 3ca0 n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ca0 n GLY 182 N 0.68 -0.65 3.53 -0.13 0.00 -1.26 -4.85 105.19 102.50 3ca0 n GLY 182 Ca 0.18 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3ca0 n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca0 s LEU 183 N -2.11 3.07 0.01 0.99 1.43 -0.53 -0.75 118.68 120.78 3ca0 s LEU 183 Ca 0.40 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 3ca0 s LEU 183 Cb 0.21 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3ca0 s LEU 183 CO 0.38 0.31 -0.22 0.00 0.23 0.00 0.00 176.35 177.05 3ca0 s VAL 185 N -0.65 3.08 -0.04 0.00 1.01 0.07 -1.81 120.40 122.07 3ca0 s VAL 185 Ca 0.09 0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.49 3ca0 s VAL 185 Cb -0.09 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 33.04 3ca0 s VAL 185 CO 0.00 -0.01 0.01 -0.89 0.00 0.00 0.00 175.10 174.21 3ca0 s THR 186 N 3.11 0.17 0.09 3.92 2.01 0.07 -4.50 115.64 120.51 3ca0 s THR 186 Ca 0.76 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 3ca0 s THR 186 Cb -0.40 -0.30 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 3ca0 s THR 186 CO 0.33 0.17 1.08 0.28 -0.69 0.00 0.00 174.62 175.79 3ca0 s THR 187 N 1.31 4.27 -1.36 -0.82 -1.32 -0.25 -0.82 115.64 116.65 3ca0 s THR 187 Ca -0.06 1.75 -0.07 0.00 -1.21 0.00 0.00 61.69 62.10 3ca0 s THR 187 Cb -0.13 -4.12 0.10 0.00 -1.51 0.00 0.00 72.50 66.84 3ca0 s THR 187 CO -0.02 0.20 2.36 -3.20 -2.21 0.00 0.00 174.62 171.75 3ca0 n ASN 188 N 3.32 7.47 0.00 8.08 5.15 0.21 -4.83 115.26 134.65 3ca0 n ASN 188 Ca 0.05 -3.06 0.00 0.00 -0.60 0.00 0.00 54.58 50.98 3ca0 n ASN 188 Cb 0.48 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.31 3ca0 n ASN 188 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ca0 n GLY 189 N 2.23 2.69 0.65 8.20 0.00 -1.26 -4.41 105.19 113.28 3ca0 n GLY 189 Ca 0.60 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 44.57 3ca0 n GLY 189 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ca0 n TYR 190 N -1.06 0.45 -3.83 1.61 4.01 -1.26 -4.88 117.16 112.19 3ca0 n TYR 190 Ca 0.00 -0.46 -0.30 0.00 -0.16 0.00 0.00 57.90 56.97 3ca0 n TYR 190 Cb 0.00 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 38.97 3ca0 n TYR 190 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3ca0 s ASN 191 N -1.00 6.40 0.49 7.72 0.01 -1.26 -4.80 114.94 122.50 3ca0 s ASN 191 Ca 0.23 0.37 -0.24 0.00 -0.71 0.00 0.00 52.86 52.52 3ca0 s ASN 191 Cb 0.12 -2.00 -0.07 0.00 0.41 0.00 0.00 41.25 39.72 3ca0 s ASN 191 CO 0.16 0.11 1.38 -0.94 -1.51 0.00 0.00 177.10 176.30 3ca0 s SER 192 N -2.60 5.63 0.00 -1.22 1.04 -1.26 -1.48 113.70 113.82 3ca0 s SER 192 Ca 0.37 2.81 0.00 0.00 0.48 0.00 0.00 55.95 59.61 3ca0 s SER 192 Cb -0.12 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.35 3ca0 s SER 192 CO 0.27 -1.33 0.00 0.29 0.98 0.00 0.00 173.24 173.45 3ca0 n LYS 193 N -0.57 -0.02 -2.18 4.02 5.02 0.32 -5.01 118.16 119.75 3ca0 n LYS 193 Ca 0.07 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 3ca0 n LYS 193 Cb 0.44 -2.74 -0.01 0.00 -0.02 0.00 0.00 35.03 32.70 3ca0 n LYS 193 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ca0 s ASP 194 N -2.81 6.36 0.24 4.39 -0.00 -0.55 -4.79 116.67 119.51 3ca0 s ASP 194 Ca 0.00 2.48 -0.23 0.00 -0.00 0.00 0.00 52.55 54.80 3ca0 s ASP 194 Cb 0.00 -2.62 -0.09 0.00 -0.00 0.00 0.00 42.92 40.21 3ca0 s ASP 194 CO 0.00 -0.80 0.80 -0.22 -0.00 0.00 0.00 175.17 174.95 3ca0 s LEU 195 N -2.56 4.39 -0.18 1.23 0.20 -1.26 -1.54 118.68 118.96 3ca0 s LEU 195 Ca 0.58 1.59 -0.17 0.00 0.69 0.00 0.00 54.13 56.83 3ca0 s LEU 195 Cb -0.34 -3.67 -0.04 0.00 -0.43 0.00 0.00 46.19 41.72 3ca0 s LEU 195 CO 0.43 0.03 0.42 -0.63 -0.29 0.00 0.00 176.35 176.31 3ca0 s ILE 196 N -1.48 5.19 0.40 6.68 1.01 0.17 -0.62 121.20 132.55 3ca0 s ILE 196 Ca 0.44 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.92 3ca0 s ILE 196 Cb -0.18 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 3ca0 s ILE 196 CO 0.23 0.27 0.18 0.27 0.00 0.00 0.00 174.94 175.88 3ca0 s ILE 197 N 1.16 0.38 -0.20 2.92 -4.36 -0.00 -2.12 121.20 118.98 3ca0 s ILE 197 Ca 0.21 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.54 3ca0 s ILE 197 Cb -0.15 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 3ca0 s ILE 197 CO 0.08 0.00 0.03 -0.63 0.24 0.00 0.00 174.94 174.66 3ca0 s ILE 198 N -3.25 4.31 0.08 8.37 -1.09 -0.63 -0.75 121.20 128.23 3ca0 s ILE 198 Ca 0.27 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 3ca0 s ILE 198 Cb 0.02 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 3ca0 s ILE 198 CO 0.18 0.43 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.05 3ca0 s LEU 199 N 0.80 2.46 0.16 2.97 2.96 -0.75 0.66 118.68 127.93 3ca0 s LEU 199 Ca 0.02 -0.93 -0.34 0.00 -0.22 0.00 0.00 54.13 52.66 3ca0 s LEU 199 Cb -0.14 -0.01 -0.15 0.00 0.50 0.00 0.00 46.19 46.40 3ca0 s LEU 199 CO 0.02 -0.46 1.47 1.17 -1.32 0.00 0.00 176.35 177.23 3ca0 n LYS 200 N 0.24 1.84 -1.73 1.98 4.81 -1.26 -0.94 118.16 123.10 3ca0 n LYS 200 Ca -0.14 0.66 -0.42 0.00 -0.87 0.00 0.00 58.31 57.54 3ca0 n LYS 200 Cb 0.60 -2.37 -0.03 0.00 0.02 0.00 0.00 35.03 33.25 3ca0 n LYS 200 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ca0 n GLN 202 N 5.48 0.22 -1.11 0.00 6.02 -1.26 -5.00 117.38 121.73 3ca0 n GLN 202 Ca 0.17 -1.06 -0.04 0.00 -0.01 0.00 0.00 57.00 56.07 3ca0 n GLN 202 Cb 0.38 -0.61 -0.02 0.00 1.02 0.00 0.00 30.24 31.01 3ca0 n GLN 202 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ca0 n GLY 203 N -0.16 0.63 3.82 1.08 0.00 -1.26 -4.96 105.19 104.35 3ca0 n GLY 203 Ca 0.02 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3ca0 n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca0 s LEU 204 N -0.89 3.60 0.56 0.99 1.43 -1.26 -2.21 118.68 120.90 3ca0 s LEU 204 Ca 0.00 1.70 0.25 0.00 -1.03 0.00 0.00 54.13 55.04 3ca0 s LEU 204 Cb 0.00 -4.52 1.54 0.00 0.03 0.00 0.00 46.19 43.24 3ca0 s LEU 204 CO 0.00 -0.82 2.13 -0.65 0.23 0.00 0.00 176.35 177.25 3ca0 h PRO 205 N 0.81 0.00 0.00 1.29 0.11 -1.85 -1.39 132.00 130.97 3ca0 h PRO 205 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ca0 h PRO 205 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ca0 h PRO 205 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 3ca0 n SER 206 N -4.12 0.00 -0.31 -2.05 3.41 -1.26 -2.69 113.62 106.60 3ca0 n SER 206 Ca 0.00 0.04 0.04 0.00 -0.26 0.00 0.00 58.87 58.69 3ca0 n SER 206 Cb 0.24 -0.28 0.05 0.00 -0.26 0.00 0.00 64.21 63.96 3ca0 n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ca0 n GLN 207 N -1.28 0.69 -3.70 4.33 6.02 -0.56 -1.09 117.38 121.79 3ca0 n GLN 207 Ca 0.08 -1.14 -0.36 0.00 -0.01 0.00 0.00 57.00 55.57 3ca0 n GLN 207 Cb 0.13 -1.14 -0.07 0.00 1.02 0.00 0.00 30.24 30.18 3ca0 n GLN 207 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3ca0 s ARG 208 N -0.68 3.98 0.10 -1.09 3.52 -1.09 -4.29 118.95 119.40 3ca0 s ARG 208 Ca 0.10 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.68 3ca0 s ARG 208 Cb 0.06 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3ca0 s ARG 208 CO 0.09 0.45 -0.09 -1.58 -0.81 0.00 0.00 175.30 173.36 3ca0 s TRP 209 N -0.13 1.03 -0.05 5.12 0.52 -0.04 -4.12 118.94 121.28 3ca0 s TRP 209 Ca 0.14 -0.75 -0.02 0.00 0.02 0.00 0.00 56.10 55.49 3ca0 s TRP 209 Cb -0.12 -0.56 0.03 0.00 -1.15 0.00 0.00 33.47 31.66 3ca0 s TRP 209 CO 0.03 -0.03 0.04 0.12 0.02 0.00 0.00 176.95 177.12 3ca0 s PHE 210 N -2.94 0.28 -0.58 -1.98 5.36 0.65 -4.77 117.98 114.00 3ca0 s PHE 210 Ca 0.09 0.10 -0.26 0.00 -0.96 0.00 0.00 56.93 55.90 3ca0 s PHE 210 Cb 0.00 -0.59 0.04 0.00 -0.34 0.00 0.00 43.02 42.13 3ca0 s PHE 210 CO -0.01 -0.24 1.10 -0.06 -1.46 0.00 0.00 175.22 174.55 3ca0 s PHE 211 N 2.07 2.65 0.73 10.12 0.40 -1.26 -0.99 117.98 131.70 3ca0 s PHE 211 Ca 0.05 0.19 -0.05 0.00 -0.60 0.00 0.00 56.93 56.52 3ca0 s PHE 211 Cb -0.12 -4.36 0.10 0.00 0.51 0.00 0.00 43.02 39.15 3ca0 s PHE 211 CO -0.04 -1.54 1.03 0.54 0.70 0.00 0.00 175.22 175.91 3ca0 s ASN 212 N 3.00 4.45 0.21 1.36 2.20 -0.63 -4.96 114.94 120.56 3ca0 s ASN 212 Ca 0.37 0.10 0.21 0.00 -0.94 0.00 0.00 52.86 52.60 3ca0 s ASN 212 Cb -0.10 -0.60 0.91 0.00 -2.00 0.00 0.00 41.25 39.46 3ca0 s ASN 212 CO 0.22 -1.81 1.64 -1.54 -2.94 0.00 0.00 177.10 172.67 3ca0 n SER 213 N -2.96 0.52 -0.55 3.54 3.41 -1.26 -3.15 113.62 113.17 3ca0 n SER 213 Ca 0.11 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.46 3ca0 n SER 213 Cb 0.60 -0.75 0.35 0.00 -0.26 0.00 0.00 64.21 64.16 3ca0 n SER 213 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ca0 n ASP 214 N -2.09 1.64 0.00 4.04 8.00 -1.26 -4.93 116.55 121.95 3ca0 n ASP 214 Ca 0.02 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.78 3ca0 n ASP 214 Cb 0.19 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 3ca0 n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ca0 n GLY 215 N 1.11 0.81 3.90 0.44 0.00 -1.19 -4.97 105.19 105.29 3ca0 n GLY 215 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3ca0 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ca0 s ALA 216 N -3.13 3.58 -0.40 4.61 0.00 -1.26 -0.73 121.76 124.43 3ca0 s ALA 216 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 3ca0 s ALA 216 Cb 0.00 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.81 3ca0 s ALA 216 CO 0.00 0.24 0.22 0.42 0.00 0.00 0.00 175.76 176.65 3ca0 s ILE 217 N -2.09 4.20 -0.14 0.00 1.01 -1.26 -1.61 121.20 121.31 3ca0 s ILE 217 Ca 0.45 -1.28 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 3ca0 s ILE 217 Cb -0.11 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3ca0 s ILE 217 CO 0.29 -0.41 0.14 -0.69 0.00 0.00 0.00 174.94 174.26 3ca0 s VAL 218 N 1.44 5.48 -0.48 2.92 1.01 -0.16 -0.95 120.40 129.66 3ca0 s VAL 218 Ca 0.02 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 3ca0 s VAL 218 Cb -0.22 -3.42 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3ca0 s VAL 218 CO 0.03 0.57 0.64 0.21 0.00 0.00 0.00 175.10 176.54 3ca0 s ASN 219 N -0.63 6.26 0.30 3.32 3.84 0.34 -0.25 114.94 128.12 3ca0 s ASN 219 Ca 0.13 -0.66 -0.01 0.00 0.21 0.00 0.00 52.86 52.54 3ca0 s ASN 219 Cb -0.12 -2.30 0.49 0.00 -0.55 0.00 0.00 41.25 38.77 3ca0 s ASN 219 CO 0.02 -0.85 1.95 -0.65 -2.79 0.00 0.00 177.10 174.78 3ca0 h PRO 220 N 8.95 1.04 0.23 0.43 0.11 -1.86 0.11 132.00 141.01 3ca0 h PRO 220 Ca -0.27 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 3ca0 h PRO 220 Cb 1.10 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3ca0 h PRO 220 CO 0.93 0.69 -0.11 -0.22 -0.21 0.00 0.00 178.00 179.08 3ca0 h LYS 221 N 1.07 -0.29 0.00 1.05 3.11 -1.84 -3.01 116.57 116.65 3ca0 h LYS 221 Ca 0.33 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 58.12 3ca0 h LYS 221 Cb 0.01 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 3ca0 h LYS 221 CO -0.10 -0.12 -0.34 0.66 -2.81 0.00 0.00 179.45 176.75 3ca0 h SER 222 N -0.41 0.00 0.00 4.20 4.64 -1.82 -3.46 113.55 116.70 3ca0 h SER 222 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3ca0 h SER 222 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3ca0 h SER 222 CO 0.05 0.34 0.00 0.54 -0.87 0.00 0.00 176.83 176.89 3ca0 n ARG 223 N -3.39 0.00 -2.47 4.77 1.74 0.36 -5.02 116.66 112.65 3ca0 n ARG 223 Ca 0.01 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.83 3ca0 n ARG 223 Cb 0.53 -2.74 0.03 0.00 -1.02 0.00 0.00 32.46 29.26 3ca0 n ARG 223 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ca0 s LEU 224 N 0.00 3.25 0.18 0.55 1.43 -1.23 -4.73 118.68 118.14 3ca0 s LEU 224 Ca 0.00 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 53.79 3ca0 s LEU 224 Cb 0.00 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 3ca0 s LEU 224 CO 0.00 -1.07 -0.19 0.68 0.23 0.00 0.00 176.35 176.00 3ca0 s VAL 225 N -2.95 1.93 0.29 -1.59 -7.23 -0.02 -0.51 120.40 110.33 3ca0 s VAL 225 Ca 0.54 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 3ca0 s VAL 225 Cb -0.10 -1.93 -0.10 0.00 0.56 0.00 0.00 36.38 34.81 3ca0 s VAL 225 CO 0.44 -0.31 1.33 -0.04 -0.31 0.00 0.00 175.10 176.20 3ca0 s MET 226 N -2.89 4.35 -0.12 4.82 1.00 -0.12 -1.34 119.30 125.00 3ca0 s MET 226 Ca 0.18 2.19 -0.05 0.00 0.00 0.00 0.00 55.69 58.00 3ca0 s MET 226 Cb -0.06 -3.11 0.06 0.00 0.00 0.00 0.00 34.83 31.72 3ca0 s MET 226 CO 0.08 -0.23 0.27 0.34 0.00 0.00 0.00 175.02 175.47 3ca0 s ASP 227 N -0.16 0.03 -0.41 3.03 3.68 0.25 -4.48 116.67 118.61 3ca0 s ASP 227 Ca 0.52 0.59 -0.28 0.00 2.13 0.00 0.00 52.55 55.51 3ca0 s ASP 227 Cb -0.39 0.60 0.00 0.00 -1.45 0.00 0.00 42.92 41.68 3ca0 s ASP 227 CO 0.48 -0.21 1.53 -0.69 0.13 0.00 0.00 175.17 176.41 3ca0 s VAL 228 N 1.89 3.76 0.05 1.11 1.01 -0.33 -0.81 120.40 127.07 3ca0 s VAL 228 Ca -0.04 0.75 -0.34 0.00 0.00 0.00 0.00 61.98 62.35 3ca0 s VAL 228 Cb -0.11 -4.07 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 3ca0 s VAL 228 CO -0.09 -0.72 1.70 -1.14 0.00 0.00 0.00 175.10 174.86 3ca0 n ARG 229 N 8.27 2.13 -2.14 2.72 0.63 -0.64 -1.07 116.66 126.57 3ca0 n ARG 229 Ca 0.18 0.77 -0.16 0.00 -0.92 0.00 0.00 57.85 57.72 3ca0 n ARG 229 Cb 0.48 -2.57 -0.03 0.00 0.45 0.00 0.00 32.46 30.79 3ca0 n ARG 229 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ca0 n ALA 230 N 4.77 -0.57 -3.97 5.13 0.00 -1.26 -1.18 120.51 123.43 3ca0 n ALA 230 Ca 0.19 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 3ca0 n ALA 230 Cb 0.29 -1.78 -0.01 0.00 0.00 0.00 0.00 19.45 17.94 3ca0 n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ca0 n SER 231 N -1.59 -3.58 -3.83 0.00 7.64 -0.23 -4.95 113.62 107.10 3ca0 n SER 231 Ca -0.18 -0.82 -0.30 0.00 1.01 0.00 0.00 58.87 58.58 3ca0 n SER 231 Cb 0.61 -2.93 -0.15 0.00 -1.01 0.00 0.00 64.21 60.74 3ca0 n SER 231 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3ca0 s ASN 232 N -3.13 4.13 0.44 6.43 3.84 -0.33 -4.99 114.94 121.33 3ca0 s ASN 232 Ca 0.65 -1.67 0.23 0.00 0.21 0.00 0.00 52.86 52.28 3ca0 s ASN 232 Cb -0.35 -1.07 0.96 0.00 -0.55 0.00 0.00 41.25 40.24 3ca0 s ASN 232 CO 0.80 -0.38 1.85 -0.37 -2.79 0.00 0.00 177.10 176.21 3ca0 h VAL 233 N 6.54 0.68 0.00 -5.21 -1.51 -1.92 -2.49 116.25 112.34 3ca0 h VAL 233 Ca -0.12 -1.11 -0.01 0.00 -1.23 0.00 0.00 66.70 64.23 3ca0 h VAL 233 Cb 1.03 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.90 3ca0 h VAL 233 CO 0.47 0.25 -0.02 0.28 -1.23 0.00 0.00 177.57 177.31 3ca0 h SER 234 N 0.00 0.00 0.35 4.19 0.02 -1.94 -1.77 113.55 114.41 3ca0 h SER 234 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3ca0 h SER 234 Cb 0.70 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 3ca0 h SER 234 CO 0.03 0.02 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.58 3ca0 h LEU 235 N 0.00 0.00 -1.25 5.07 3.38 -1.79 -3.46 115.31 117.26 3ca0 h LEU 235 Ca -0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 3ca0 h LEU 235 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3ca0 h LEU 235 CO 0.00 0.10 -0.78 0.54 0.09 0.00 0.00 178.44 178.39 3ca0 n ARG 236 N -3.60 -5.51 -3.90 1.13 1.74 -0.67 -4.99 116.66 100.87 3ca0 n ARG 236 Ca -0.02 0.62 -0.21 0.00 -0.77 0.00 0.00 57.85 57.47 3ca0 n ARG 236 Cb 0.22 -5.41 -0.17 0.00 -1.02 0.00 0.00 32.46 26.08 3ca0 n ARG 236 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ca0 s GLU 237 N -6.38 0.62 -0.12 5.56 2.02 -1.26 -4.77 118.70 114.37 3ca0 s GLU 237 Ca 0.43 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.47 3ca0 s GLU 237 Cb -0.21 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 33.14 3ca0 s GLU 237 CO 0.82 -0.22 -0.13 0.42 0.02 0.00 0.00 175.26 176.18 3ca0 s ILE 238 N 1.53 3.12 0.29 -1.63 -1.09 -1.25 -1.62 121.20 120.55 3ca0 s ILE 238 Ca -0.02 -0.65 0.05 0.00 -2.23 0.00 0.00 60.65 57.80 3ca0 s ILE 238 Cb -0.13 -2.30 -0.06 0.00 -1.58 0.00 0.00 42.46 38.40 3ca0 s ILE 238 CO -0.03 0.54 -0.01 0.27 -1.23 0.00 0.00 174.94 174.47 3ca0 s ILE 239 N 0.14 1.43 0.18 2.92 -4.36 0.01 -0.65 121.20 120.86 3ca0 s ILE 239 Ca -0.06 -2.07 -0.14 0.00 -0.26 0.00 0.00 60.65 58.11 3ca0 s ILE 239 Cb -0.15 -2.55 -0.07 0.00 1.25 0.00 0.00 42.46 40.94 3ca0 s ILE 239 CO 0.05 -0.21 0.58 0.27 0.24 0.00 0.00 174.94 175.87 3ca0 s ILE 240 N -3.15 4.82 0.04 8.37 -4.36 -0.59 -0.58 121.20 125.74 3ca0 s ILE 240 Ca 0.31 0.85 -0.27 0.00 -0.26 0.00 0.00 60.65 61.29 3ca0 s ILE 240 Cb 0.06 -3.73 0.07 0.00 1.25 0.00 0.00 42.46 40.10 3ca0 s ILE 240 CO 0.13 0.17 0.63 0.12 0.24 0.00 0.00 174.94 176.23 3ca0 s PHE 241 N -1.55 -0.58 0.41 1.37 5.36 -0.45 -0.52 117.98 122.02 3ca0 s PHE 241 Ca 0.41 0.75 -0.25 0.00 -0.96 0.00 0.00 56.93 56.88 3ca0 s PHE 241 Cb -0.14 0.45 -0.10 0.00 -0.34 0.00 0.00 43.02 42.89 3ca0 s PHE 241 CO 0.20 -0.70 1.17 -2.30 -1.46 0.00 0.00 175.22 172.13 3ca0 n PRO 242 N 0.38 1.70 -1.73 10.12 -0.02 -1.26 -0.84 135.00 143.36 3ca0 n PRO 242 Ca -0.18 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3ca0 n PRO 242 Cb 0.60 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3ca0 n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca0 s ALA 243 N -1.21 3.72 -0.11 3.55 0.00 -1.26 -4.84 121.76 121.60 3ca0 s ALA 243 Ca 0.62 1.40 0.04 0.00 0.00 0.00 0.00 51.96 54.01 3ca0 s ALA 243 Cb -0.54 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 18.76 3ca0 s ALA 243 CO 0.58 -1.30 0.14 0.25 0.00 0.00 0.00 175.76 175.42 3ca0 n THR 244 N 4.93 0.00 -0.99 0.00 -2.24 -1.26 -5.01 114.28 109.71 3ca0 n THR 244 Ca 0.18 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3ca0 n THR 244 Cb 0.39 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3ca0 n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ca0 n GLY 245 N 1.59 0.78 3.87 3.38 0.00 -1.26 -5.03 105.19 108.52 3ca0 n GLY 245 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3ca0 n GLY 245 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ca0 s ASN 246 N -2.60 6.37 0.58 1.61 0.01 -1.26 -4.97 114.94 114.67 3ca0 s ASN 246 Ca 0.00 1.29 0.28 0.00 -0.71 0.00 0.00 52.86 53.71 3ca0 s ASN 246 Cb 0.00 -2.40 1.59 0.00 0.41 0.00 0.00 41.25 40.85 3ca0 s ASN 246 CO 0.00 -0.67 2.07 -0.65 -1.51 0.00 0.00 177.10 176.35 3ca0 h PRO 247 N 0.32 0.00 0.00 -0.60 0.11 -1.97 -1.50 132.00 128.37 3ca0 h PRO 247 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ca0 h PRO 247 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ca0 h PRO 247 CO 0.62 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 3ca0 n ASN 248 N -3.90 0.00 -0.23 -2.05 6.94 -1.26 -2.73 115.26 112.02 3ca0 n ASN 248 Ca 0.03 -0.85 0.02 0.00 -0.02 0.00 0.00 54.58 53.76 3ca0 n ASN 248 Cb 0.37 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.85 3ca0 n ASN 248 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca0 n GLN 249 N -1.00 2.88 -3.83 -3.83 6.02 -0.56 -1.19 117.38 115.88 3ca0 n GLN 249 Ca 0.20 -1.76 -0.35 0.00 -0.01 0.00 0.00 57.00 55.08 3ca0 n GLN 249 Cb 0.09 -1.13 -0.08 0.00 1.02 0.00 0.00 30.24 30.14 3ca0 n GLN 249 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca0 s GLN 250 N -1.13 4.06 0.03 -1.09 -1.52 -1.11 -4.19 119.66 114.71 3ca0 s GLN 250 Ca 0.10 -0.25 0.01 0.00 -1.95 0.00 0.00 55.36 53.26 3ca0 s GLN 250 Cb 0.06 -3.34 -0.02 0.00 -0.22 0.00 0.00 33.01 29.49 3ca0 s GLN 250 CO 0.05 0.33 -0.04 -1.58 -0.25 0.00 0.00 175.29 173.80 3ca0 s TRP 251 N 0.26 0.38 -0.01 0.91 0.52 0.09 -3.96 118.94 117.13 3ca0 s TRP 251 Ca 0.07 -0.52 0.01 0.00 0.02 0.00 0.00 56.10 55.68 3ca0 s TRP 251 Cb -0.11 -0.25 0.00 0.00 -1.15 0.00 0.00 33.47 31.96 3ca0 s TRP 251 CO -0.01 -0.16 -0.02 0.14 0.02 0.00 0.00 176.95 176.92 3ca0 s VAL 252 N -1.43 0.22 0.20 4.03 -7.23 0.21 -4.70 120.40 111.71 3ca0 s VAL 252 Ca -0.14 -0.09 -0.26 0.00 -1.81 0.00 0.00 61.98 59.67 3ca0 s VAL 252 Cb -0.10 -0.21 -0.08 0.00 0.56 0.00 0.00 36.38 36.55 3ca0 s VAL 252 CO -0.01 0.08 0.82 0.42 -0.31 0.00 0.00 175.10 176.10 3ca0 s THR 253 N 0.09 4.30 -0.22 5.32 -4.23 -1.26 -0.69 115.64 118.94 3ca0 s THR 253 Ca -0.01 1.77 0.00 0.00 -1.18 0.00 0.00 61.69 62.28 3ca0 s THR 253 Cb -0.03 -4.15 0.06 0.00 1.34 0.00 0.00 72.50 69.72 3ca0 s THR 253 CO -0.00 0.46 -0.05 -1.10 -0.54 0.00 0.00 174.62 173.39 3ca0 s GLN 254 N -1.30 1.58 0.33 3.99 -1.52 0.34 -4.96 119.66 118.12 3ca0 s GLN 254 Ca 0.39 -0.90 -0.29 0.00 -1.95 0.00 0.00 55.36 52.61 3ca0 s GLN 254 Cb -0.23 -2.49 -0.11 0.00 -0.22 0.00 0.00 33.01 29.96 3ca0 s GLN 254 CO 0.27 -0.57 1.47 0.08 -0.25 0.00 0.00 175.29 176.29 3ca0 s VAL 255 N 1.45 2.27 0.11 1.09 1.01 -1.26 -0.43 120.40 124.63 3ca0 s VAL 255 Ca -0.05 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 3ca0 s VAL 255 Cb -0.18 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3ca0 s VAL 255 CO -0.07 0.05 0.28 -0.76 0.00 0.00 0.00 175.10 174.60 3ca0 s LEU 256 N -1.38 4.32 0.00 3.92 1.43 -0.39 -4.83 118.68 121.75 3ca0 s LEU 256 Ca 0.56 0.32 0.29 0.00 -1.03 0.00 0.00 54.13 54.27 3ca0 s LEU 256 Cb -0.45 -3.03 1.75 0.00 0.03 0.00 0.00 46.19 44.49 3ca0 s LEU 256 CO 0.54 0.10 2.09 -0.81 0.23 0.00 0.00 176.35 178.50