#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 s ARG 7 N 0.00 3.54 0.48 1.64 0.52 -1.26 -4.14 118.95 119.73 3cf5 s ARG 7 Ca 0.00 -0.26 -0.16 0.00 -0.52 0.00 0.00 55.73 54.79 3cf5 s ARG 7 Cb 0.00 -2.89 -0.08 0.00 0.52 0.00 0.00 34.95 32.50 3cf5 s ARG 7 CO 0.00 0.48 0.94 0.95 0.02 0.00 0.00 175.30 177.68 3cf5 s THR 8 N -1.70 4.55 0.19 0.02 -4.23 -1.26 -5.01 115.64 108.21 3cf5 s THR 8 Ca 0.39 1.16 0.14 0.00 -1.18 0.00 0.00 61.69 62.20 3cf5 s THR 8 Cb -0.12 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.06 3cf5 s THR 8 CO 0.27 -0.58 1.64 0.11 -0.54 0.00 0.00 174.62 175.51 3cf5 h LYS 9 N 1.19 0.00 -2.09 3.99 1.57 -1.98 -3.48 116.57 115.76 3cf5 h LYS 9 Ca -0.47 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.51 3cf5 h LYS 9 Cb 1.18 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 3cf5 h LYS 9 CO 0.62 0.53 0.58 0.12 -0.57 0.00 0.00 179.45 180.72 3cf5 s PHE 10 N -3.52 -0.14 0.00 -1.35 5.36 -1.26 -5.19 117.98 111.88 3cf5 s PHE 10 Ca -0.00 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 3cf5 s PHE 10 Cb 0.11 0.60 0.00 0.00 -0.34 0.00 0.00 43.02 43.39 3cf5 s PHE 10 CO 0.73 -0.63 0.00 0.54 -1.46 0.00 0.00 175.22 174.40 3cf5 n ARG 11 N -0.42 0.00 0.04 10.12 5.12 -1.26 -5.06 116.66 125.20 3cf5 n ARG 11 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 3cf5 n ARG 11 Cb 0.61 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 3cf5 n ARG 11 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3cf5 n LYS 12 N 0.00 0.00 0.00 5.56 4.81 -1.26 -5.13 118.16 122.14 3cf5 n LYS 12 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3cf5 n LYS 12 Cb 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 35.03 34.70 3cf5 n LYS 12 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3cf5 n GLN 13 N -3.21 0.00 0.00 1.64 7.27 -1.26 -5.16 117.38 116.66 3cf5 n GLN 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3cf5 n GLN 13 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3cf5 n GLN 13 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3cf5 n PHE 14 N 0.00 0.00 -2.05 3.69 3.72 -1.26 -4.77 117.46 116.79 3cf5 n PHE 14 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3cf5 n PHE 14 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3cf5 n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3cf5 n ARG 15 N 0.00 0.00 0.00 -1.08 1.74 -1.26 -4.69 116.66 111.36 3cf5 n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3cf5 n ARG 15 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3cf5 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cf5 n GLY 16 N 0.00 5.14 3.65 -0.13 0.00 -1.26 -5.16 105.19 107.43 3cf5 n GLY 16 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.31 3cf5 n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3cf5 s ARG 17 N 4.59 0.06 0.08 1.61 1.70 -1.26 -5.12 118.95 120.61 3cf5 s ARG 17 Ca 0.00 0.11 -0.27 0.00 -0.47 0.00 0.00 55.73 55.10 3cf5 s ARG 17 Cb 0.00 0.01 0.09 0.00 -0.57 0.00 0.00 34.95 34.49 3cf5 s ARG 17 CO 0.00 -0.01 1.13 1.41 -1.08 0.00 0.00 175.30 176.75 3cf5 s MET 18 N 0.96 0.82 0.06 3.89 1.75 -1.26 -5.21 119.30 120.32 3cf5 s MET 18 Ca -0.07 -0.47 -0.16 0.00 -1.25 0.00 0.00 55.69 53.74 3cf5 s MET 18 Cb -0.03 0.27 0.03 0.00 2.84 0.00 0.00 34.83 37.94 3cf5 s MET 18 CO -0.10 -0.38 0.37 0.99 -0.65 0.00 0.00 175.02 175.25 3cf5 s THR 19 N -2.68 0.07 -0.23 10.11 2.01 -1.26 -5.14 115.64 118.52 3cf5 s THR 19 Ca 0.16 -0.58 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 3cf5 s THR 19 Cb 0.01 -1.02 0.12 0.00 0.01 0.00 0.00 72.50 71.62 3cf5 s THR 19 CO -0.00 -0.32 0.98 -0.83 -0.69 0.00 0.00 174.62 173.76 3cf5 s GLY 20 N -2.25 -0.23 0.79 4.40 0.00 -1.26 -5.18 107.32 103.60 3cf5 s GLY 20 Ca -0.03 2.36 -0.14 0.00 0.00 0.00 0.00 44.72 46.91 3cf5 s GLY 20 CO -0.05 1.53 0.91 2.09 0.00 0.00 0.00 173.10 177.58 3cf5 n ASP 21 N 1.70 0.05 -1.11 1.64 5.75 -1.26 -4.89 116.55 118.43 3cf5 n ASP 21 Ca -0.12 0.57 -0.10 0.00 -0.01 0.00 0.00 54.79 55.13 3cf5 n ASP 21 Cb 0.56 -1.39 0.01 0.00 -1.03 0.00 0.00 41.12 39.27 3cf5 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cf5 n ALA 22 N -3.00 -2.72 0.00 2.12 0.00 -1.14 -4.93 120.51 110.84 3cf5 n ALA 22 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3cf5 n ALA 22 Cb 0.50 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3cf5 n ALA 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3cf5 n LYS 23 N 0.56 0.00 -2.59 0.00 4.81 -1.26 -4.96 118.16 114.72 3cf5 n LYS 23 Ca 0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 3cf5 n LYS 23 Cb 0.14 -0.40 0.03 0.00 0.02 0.00 0.00 35.03 34.82 3cf5 n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cf5 n GLY 24 N 0.54 3.13 2.72 3.14 0.00 -1.26 -4.95 105.19 108.50 3cf5 n GLY 24 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 3cf5 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 25 N -0.37 4.35 0.00 -0.02 0.00 -1.26 -4.99 105.19 102.90 3cf5 n GLY 25 Ca 0.19 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.54 3cf5 n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cf5 n ASP 26 N 1.51 0.00 0.00 1.61 -0.08 -1.26 -4.49 116.55 113.84 3cf5 n ASP 26 Ca 0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 3cf5 n ASP 26 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 3cf5 n ASP 26 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3cf5 n TYR 27 N 0.00 0.00 -1.43 -0.67 4.02 -1.26 -4.90 117.16 112.91 3cf5 n TYR 27 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 3cf5 n TYR 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3cf5 n TYR 27 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3cf5 n VAL 28 N 0.00 1.62 0.00 -0.72 0.31 -1.26 -4.92 118.33 113.36 3cf5 n VAL 28 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3cf5 n VAL 28 Cb 0.00 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 3cf5 n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cf5 n ALA 29 N -0.78 0.00 -0.13 3.52 0.00 -1.26 -4.96 120.51 116.91 3cf5 n ALA 29 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3cf5 n ALA 29 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3cf5 n ALA 29 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3cf5 n PHE 30 N 0.00 0.00 -3.83 0.00 3.72 -1.26 -4.91 117.46 111.18 3cf5 n PHE 30 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 3cf5 n PHE 30 Cb 0.00 -0.39 0.01 0.00 -0.94 0.00 0.00 39.48 38.16 3cf5 n PHE 30 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3cf5 s GLY 31 N -2.00 0.13 -0.11 1.37 0.00 -1.26 -4.79 107.32 100.66 3cf5 s GLY 31 Ca 0.00 -0.41 0.18 0.00 0.00 0.00 0.00 44.72 44.48 3cf5 s GLY 31 CO 0.00 0.76 0.23 1.22 0.00 0.00 0.00 173.10 175.30 3cf5 n ASP 32 N -1.09 0.56 -4.28 1.64 9.92 -1.21 -4.85 116.55 117.24 3cf5 n ASP 32 Ca -0.06 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 53.96 3cf5 n ASP 32 Cb 0.60 1.37 -0.13 0.00 -0.64 0.00 0.00 41.12 42.32 3cf5 n ASP 32 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3cf5 s TYR 33 N -2.84 1.78 0.02 1.24 2.02 -0.56 -4.35 117.35 114.65 3cf5 s TYR 33 Ca -0.08 -0.41 -0.26 0.00 -0.37 0.00 0.00 57.07 55.95 3cf5 s TYR 33 Cb 0.09 -0.99 0.06 0.00 -0.40 0.00 0.00 41.96 40.72 3cf5 s TYR 33 CO 0.77 0.19 0.59 0.20 -1.57 0.00 0.00 175.55 175.73 3cf5 s GLY 34 N -1.81 -0.51 -0.08 0.71 0.00 -0.39 -1.41 107.32 103.82 3cf5 s GLY 34 Ca 0.06 0.89 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 3cf5 s GLY 34 CO 0.04 0.57 0.02 -2.27 0.00 0.00 0.00 173.10 171.46 3cf5 s LEU 35 N -1.69 3.67 -0.04 0.66 2.96 1.58 0.28 118.68 126.09 3cf5 s LEU 35 Ca -0.07 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3cf5 s LEU 35 Cb -0.01 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3cf5 s LEU 35 CO 0.02 0.37 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.66 3cf5 s ILE 36 N -0.92 1.13 0.07 6.68 1.01 -0.73 -2.85 121.20 125.60 3cf5 s ILE 36 Ca 0.14 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 3cf5 s ILE 36 Cb -0.11 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 3cf5 s ILE 36 CO 0.03 0.34 0.92 0.00 0.00 0.00 0.00 174.94 176.23 3cf5 s ALA 37 N 0.21 3.26 -0.33 9.38 0.00 -0.80 -2.08 121.76 131.40 3cf5 s ALA 37 Ca -0.05 0.50 0.08 0.00 0.00 0.00 0.00 51.96 52.48 3cf5 s ALA 37 Cb -0.11 -3.22 0.57 0.00 0.00 0.00 0.00 23.12 20.35 3cf5 s ALA 37 CO 0.02 -0.05 1.60 -1.33 0.00 0.00 0.00 175.76 176.00 3cf5 n MET 38 N 3.02 2.13 -3.58 0.00 2.81 0.98 -0.38 117.12 122.11 3cf5 n MET 38 Ca 0.02 -3.11 -0.14 0.00 -1.81 0.00 0.00 57.70 52.66 3cf5 n MET 38 Cb 0.50 -1.94 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 3cf5 n MET 38 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3cf5 s GLU 39 N -3.22 0.79 -0.38 0.03 2.02 -1.26 -4.83 118.70 111.85 3cf5 s GLU 39 Ca 0.48 0.48 -0.28 0.00 0.02 0.00 0.00 54.97 55.67 3cf5 s GLU 39 Cb 0.42 0.38 -0.03 0.00 0.10 0.00 0.00 34.13 35.00 3cf5 s GLU 39 CO 0.04 -0.19 1.89 -2.14 0.02 0.00 0.00 175.26 174.89 3cf5 s PRO 40 N -0.51 3.11 0.00 0.39 0.02 -1.26 -4.29 135.00 132.46 3cf5 s PRO 40 Ca -0.03 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.34 3cf5 s PRO 40 Cb -0.02 -4.27 0.00 0.00 0.02 0.00 0.00 34.50 30.22 3cf5 s PRO 40 CO 0.03 -2.12 0.00 0.00 -0.33 0.00 0.00 177.00 174.57 3cf5 n ALA 41 N 11.22 0.00 -3.80 -1.55 0.00 -0.92 -5.03 120.51 120.42 3cf5 n ALA 41 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 3cf5 n ALA 41 Cb 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 3cf5 n ALA 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3cf5 s TRP 42 N -1.91 2.11 -0.31 0.00 0.52 -1.26 -3.08 118.94 115.01 3cf5 s TRP 42 Ca 0.00 -1.92 -0.29 0.00 0.02 0.00 0.00 56.10 53.91 3cf5 s TRP 42 Cb 0.00 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.44 3cf5 s TRP 42 CO 0.00 -0.87 1.20 0.42 0.02 0.00 0.00 176.95 177.72 3cf5 s ILE 43 N 1.48 4.30 0.10 2.03 -1.09 -0.58 -4.83 121.20 122.60 3cf5 s ILE 43 Ca 0.08 1.49 -0.30 0.00 -2.23 0.00 0.00 60.65 59.68 3cf5 s ILE 43 Cb -0.18 -4.28 -0.06 0.00 -1.58 0.00 0.00 42.46 36.37 3cf5 s ILE 43 CO -0.19 -0.48 1.11 -0.54 -1.23 0.00 0.00 174.94 173.60 3cf5 s LYS 44 N 3.93 4.53 0.26 2.79 3.01 -1.26 -0.36 119.74 132.64 3cf5 s LYS 44 Ca 0.51 1.67 -0.04 0.00 -1.01 0.00 0.00 55.97 57.10 3cf5 s LYS 44 Cb -0.15 -3.34 0.54 0.00 -1.01 0.00 0.00 37.83 33.87 3cf5 s LYS 44 CO 0.20 -0.07 1.64 0.66 0.51 0.00 0.00 175.35 178.29 3cf5 h SER 45 N 6.09 -0.23 0.07 2.83 4.64 -1.45 1.50 113.55 127.02 3cf5 h SER 45 Ca -0.43 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3cf5 h SER 45 Cb 1.21 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3cf5 h SER 45 CO 0.76 -0.17 0.00 -0.46 -0.87 0.00 0.00 176.83 176.09 3cf5 n ASN 46 N -5.30 0.00 -0.67 4.97 0.23 -1.26 0.34 115.26 113.57 3cf5 n ASN 46 Ca 0.16 -0.09 0.09 0.00 -0.53 0.00 0.00 54.58 54.22 3cf5 n ASN 46 Cb 0.55 -0.13 0.06 0.00 -2.08 0.00 0.00 39.78 38.18 3cf5 n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cf5 n GLN 47 N -1.13 1.58 -0.11 -3.83 6.02 0.51 -3.31 117.38 117.11 3cf5 n GLN 47 Ca 0.06 -1.45 -0.22 0.00 -0.01 0.00 0.00 57.00 55.38 3cf5 n GLN 47 Cb 0.05 -1.35 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 3cf5 n GLN 47 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3cf5 n ILE 48 N 0.80 1.52 -0.27 5.09 5.41 0.15 -3.67 119.36 128.40 3cf5 n ILE 48 Ca 0.10 -0.12 0.08 0.00 1.00 0.00 0.00 62.75 63.81 3cf5 n ILE 48 Cb 0.44 -2.04 0.22 0.00 -0.71 0.00 0.00 39.64 37.55 3cf5 n ILE 48 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3cf5 h GLU 49 N -1.00 0.31 -0.88 0.38 4.39 -1.58 1.79 114.58 117.98 3cf5 h GLU 49 Ca -0.42 -0.02 0.26 0.00 0.34 0.00 0.00 59.36 59.52 3cf5 h GLU 49 Cb 1.32 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 3cf5 h GLU 49 CO -0.26 0.20 0.64 0.00 -1.16 0.00 0.00 179.01 178.44 3cf5 h ALA 50 N 1.64 2.83 -0.25 3.43 0.00 -1.69 -1.68 119.26 123.55 3cf5 h ALA 50 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3cf5 h ALA 50 Cb 0.81 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3cf5 h ALA 50 CO -0.52 -1.10 0.00 0.00 0.00 0.00 0.00 179.25 177.63 3cf5 n ARG 52 N -2.11 0.00 -0.13 0.00 0.00 0.10 0.87 116.66 115.38 3cf5 n ARG 52 Ca 0.00 0.27 -0.06 0.00 -0.00 0.00 0.00 57.85 58.07 3cf5 n ARG 52 Cb 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 32.46 32.05 3cf5 n ARG 52 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3cf5 h ILE 53 N 0.00 0.32 0.04 5.15 2.04 -1.54 0.74 117.51 124.27 3cf5 h ILE 53 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3cf5 h ILE 53 Cb 0.00 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 3cf5 h ILE 53 CO 0.00 0.00 -0.34 0.58 0.00 0.00 0.00 178.15 178.39 3cf5 h VAL 54 N -0.17 0.00 -0.86 1.67 2.07 0.46 -1.13 116.25 118.30 3cf5 h VAL 54 Ca 0.20 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.94 3cf5 h VAL 54 Cb 0.49 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.11 3cf5 h VAL 54 CO -0.53 0.00 0.09 0.24 0.02 0.00 0.00 177.57 177.39 3cf5 h MET 55 N -0.45 0.11 0.00 1.57 2.86 0.21 -1.76 114.93 117.47 3cf5 h MET 55 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3cf5 h MET 55 Cb 0.47 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3cf5 h MET 55 CO -0.21 0.07 0.00 0.43 1.06 0.00 0.00 176.91 178.27 3cf5 n SER 56 N -5.34 0.00 -0.08 1.22 7.64 0.24 -2.28 113.62 115.01 3cf5 n SER 56 Ca 0.19 0.73 -0.01 0.00 1.01 0.00 0.00 58.87 60.79 3cf5 n SER 56 Cb 0.62 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 3cf5 n SER 56 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cf5 n ARG 57 N -1.62 -0.06 0.19 1.43 5.12 -0.67 0.35 116.66 121.40 3cf5 n ARG 57 Ca 0.00 0.30 0.16 0.00 -1.93 0.00 0.00 57.85 56.38 3cf5 n ARG 57 Cb 0.00 -0.45 0.78 0.00 -1.16 0.00 0.00 32.46 31.63 3cf5 n ARG 57 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3cf5 h HIS 58 N 0.00 0.00 -1.87 -1.55 2.76 -1.38 -3.39 115.15 109.72 3cf5 h HIS 58 Ca 0.06 0.00 -0.45 0.00 -2.20 0.00 0.00 60.37 57.78 3cf5 h HIS 58 Cb 0.11 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 3cf5 h HIS 58 CO -0.18 0.00 -0.36 -0.06 -1.30 0.00 0.00 177.93 176.02 3cf5 s PHE 59 N -4.79 3.15 -0.06 5.26 2.99 1.07 -5.06 117.98 120.55 3cf5 s PHE 59 Ca -0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 56.93 56.63 3cf5 s PHE 59 Cb 0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 43.02 41.24 3cf5 s PHE 59 CO 0.60 0.08 -0.13 0.54 -0.00 0.00 0.00 175.22 176.31 3cf5 n ARG 60 N -1.58 0.21 0.00 0.44 3.00 -1.26 -4.86 116.66 112.61 3cf5 n ARG 60 Ca -0.02 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.91 3cf5 n ARG 60 Cb 0.58 -0.86 0.00 0.00 0.00 0.00 0.00 32.46 32.18 3cf5 n ARG 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3cf5 n ARG 61 N -3.66 1.58 0.00 5.56 1.74 -1.26 -4.88 116.66 115.75 3cf5 n ARG 61 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3cf5 n ARG 61 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 3cf5 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cf5 n GLY 62 N 1.98 1.27 3.78 -0.13 0.00 -1.26 -4.57 105.19 106.26 3cf5 n GLY 62 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3cf5 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 63 N 0.00 -0.44 2.51 -0.02 0.00 -1.26 -4.79 105.19 101.19 3cf5 n GLY 63 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3cf5 n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cf5 n LYS 64 N -3.55 3.73 -4.48 1.61 4.01 -1.26 -4.83 118.16 113.38 3cf5 n LYS 64 Ca 0.07 -2.76 -0.29 0.00 -0.51 0.00 0.00 58.31 54.83 3cf5 n LYS 64 Cb 0.48 -2.88 -0.17 0.00 -0.51 0.00 0.00 35.03 31.95 3cf5 n LYS 64 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3cf5 s ILE 65 N 1.36 1.52 -0.14 -0.18 1.01 -1.26 -0.89 121.20 122.61 3cf5 s ILE 65 Ca 0.57 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 3cf5 s ILE 65 Cb 0.16 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 3cf5 s ILE 65 CO -0.07 0.44 -0.12 -0.31 0.00 0.00 0.00 174.94 174.89 3cf5 s TYR 66 N 0.96 2.84 -0.86 3.97 1.51 -1.24 -5.01 117.35 119.52 3cf5 s TYR 66 Ca -0.07 -0.66 -0.03 0.00 -1.01 0.00 0.00 57.07 55.30 3cf5 s TYR 66 Cb -0.15 -1.88 0.21 0.00 -0.11 0.00 0.00 41.96 40.03 3cf5 s TYR 66 CO -0.01 -0.24 0.74 0.42 -1.11 0.00 0.00 175.55 175.35 3cf5 s ILE 67 N 0.47 4.41 -0.37 2.71 1.01 -1.26 -3.76 121.20 124.41 3cf5 s ILE 67 Ca -0.09 -3.63 -0.03 0.00 0.00 0.00 0.00 60.65 56.91 3cf5 s ILE 67 Cb -0.16 -3.75 0.07 0.00 0.01 0.00 0.00 42.46 38.64 3cf5 s ILE 67 CO 0.04 -1.06 2.65 -2.11 0.00 0.00 0.00 174.94 174.47 3cf5 n ARG 68 N 2.62 2.19 -2.77 2.79 1.85 -0.95 -4.41 116.66 117.99 3cf5 n ARG 68 Ca 0.19 -2.00 -0.11 0.00 -1.00 0.00 0.00 57.85 54.94 3cf5 n ARG 68 Cb 0.38 -1.98 0.03 0.00 -1.05 0.00 0.00 32.46 29.83 3cf5 n ARG 68 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 3cf5 n ILE 69 N 0.89 0.68 -1.52 8.89 -5.35 -1.26 -4.76 119.36 116.94 3cf5 n ILE 69 Ca 0.43 -3.21 -0.37 0.00 -0.27 0.00 0.00 62.75 59.33 3cf5 n ILE 69 Cb 0.59 0.53 0.06 0.00 -1.74 0.00 0.00 39.64 39.08 3cf5 n ILE 69 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 3cf5 n PHE 70 N -0.02 0.42 -2.67 4.28 7.35 -1.26 -4.85 117.46 120.71 3cf5 n PHE 70 Ca 0.11 0.42 -0.43 0.00 -0.76 0.00 0.00 57.45 56.79 3cf5 n PHE 70 Cb 0.79 -2.08 -0.01 0.00 0.35 0.00 0.00 39.48 38.53 3cf5 n PHE 70 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3cf5 s PRO 71 N -2.80 3.89 -1.17 -7.13 0.02 -1.26 -4.72 135.00 121.84 3cf5 s PRO 71 Ca 0.74 -1.90 -0.07 0.00 0.02 0.00 0.00 61.00 59.80 3cf5 s PRO 71 Cb -0.40 -5.37 0.25 0.00 0.02 0.00 0.00 34.50 29.00 3cf5 s PRO 71 CO 0.49 -2.13 1.65 -0.25 -0.33 0.00 0.00 177.00 176.43 3cf5 n ASP 72 N 7.89 5.82 -3.15 2.53 8.00 -1.19 -4.43 116.55 132.02 3cf5 n ASP 72 Ca 0.42 -3.27 0.05 0.00 0.71 0.00 0.00 54.79 52.70 3cf5 n ASP 72 Cb 0.47 -1.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.19 3cf5 n ASP 72 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3cf5 s LYS 73 N -1.33 0.15 -0.01 -1.24 2.20 -1.01 -4.93 119.74 113.57 3cf5 s LYS 73 Ca 0.35 0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.89 3cf5 s LYS 73 Cb 0.06 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 3cf5 s LYS 73 CO 0.06 -0.20 0.92 -1.25 -0.36 0.00 0.00 175.35 174.52 3cf5 s PRO 74 N 2.96 4.54 0.38 4.03 0.04 -1.26 -0.30 135.00 145.38 3cf5 s PRO 74 Ca 0.07 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.49 3cf5 s PRO 74 Cb -0.07 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 3cf5 s PRO 74 CO -0.14 -0.02 0.15 0.08 0.04 0.00 0.00 177.00 177.11 3cf5 s VAL 75 N 0.94 2.57 0.24 -0.36 1.01 -1.07 -4.43 120.40 119.31 3cf5 s VAL 75 Ca 0.49 -1.73 0.03 0.00 0.00 0.00 0.00 61.98 60.76 3cf5 s VAL 75 Cb -0.20 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 3cf5 s VAL 75 CO 0.26 -0.09 0.10 0.35 0.00 0.00 0.00 175.10 175.72 3cf5 n THR 76 N -1.17 0.00 -3.99 3.92 -2.24 -1.26 -3.03 114.28 106.50 3cf5 n THR 76 Ca -0.02 -1.46 -0.11 0.00 -2.27 0.00 0.00 64.05 60.19 3cf5 n THR 76 Cb 0.63 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 3cf5 n THR 76 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3cf5 s LYS 77 N -2.94 1.83 -0.22 -0.78 2.47 -1.26 -4.81 119.74 114.03 3cf5 s LYS 77 Ca 0.14 -1.46 -0.29 0.00 -1.56 0.00 0.00 55.97 52.80 3cf5 s LYS 77 Cb 0.01 0.50 0.00 0.00 -1.46 0.00 0.00 37.83 36.88 3cf5 s LYS 77 CO 0.10 -0.79 1.10 0.21 0.16 0.00 0.00 175.35 176.13 3cf5 s LYS 78 N -3.32 4.23 0.44 4.03 2.20 -1.26 -3.85 119.74 122.21 3cf5 s LYS 78 Ca 0.24 1.40 0.30 0.00 -0.36 0.00 0.00 55.97 57.55 3cf5 s LYS 78 Cb -0.02 -3.68 1.54 0.00 -1.51 0.00 0.00 37.83 34.16 3cf5 s LYS 78 CO 0.14 -0.68 1.92 -1.35 -0.36 0.00 0.00 175.35 175.02 3cf5 h PRO 79 N 7.71 0.00 0.00 4.03 0.11 -2.00 -3.43 132.00 138.43 3cf5 h PRO 79 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3cf5 h PRO 79 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3cf5 h PRO 79 CO 0.98 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 3cf5 n ALA 80 N -1.90 0.00 0.00 -0.75 0.00 -1.26 -5.05 120.51 111.54 3cf5 n ALA 80 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3cf5 n ALA 80 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3cf5 n ALA 80 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3cf5 n GLU 81 N 0.00 0.00 0.00 0.00 0.00 -1.26 -5.14 120.64 114.24 3cf5 n GLU 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3cf5 n GLU 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3cf5 n GLU 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3cf5 n THR 82 N 0.00 0.00 0.00 3.84 -2.24 -1.26 -4.93 114.28 109.69 3cf5 n THR 82 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3cf5 n THR 82 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3cf5 n THR 82 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3cf5 n ARG 83 N 0.00 0.00 -2.52 -0.78 3.00 -1.26 -5.07 116.66 110.03 3cf5 n ARG 83 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 3cf5 n ARG 83 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 3cf5 n ARG 83 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3cf5 s MET 84 N 0.00 3.64 0.00 -0.14 -1.94 -1.26 -4.77 119.30 114.83 3cf5 s MET 84 Ca 0.00 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 52.57 3cf5 s MET 84 Cb 0.00 -5.41 0.00 0.00 2.01 0.00 0.00 34.83 31.43 3cf5 s MET 84 CO 0.00 -2.36 0.00 0.41 -0.01 0.00 0.00 175.02 173.06 3cf5 n GLY 85 N 6.28 -0.97 1.39 -0.03 0.00 -1.26 -5.18 105.19 105.42 3cf5 n GLY 85 Ca 0.40 -1.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 3cf5 n GLY 85 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3cf5 n LYS 86 N -0.53 0.84 -0.61 1.61 2.85 -1.26 -5.06 118.16 116.00 3cf5 n LYS 86 Ca 0.00 -1.11 -0.21 0.00 -1.05 0.00 0.00 58.31 55.95 3cf5 n LYS 86 Cb 0.00 -0.09 0.01 0.00 -0.65 0.00 0.00 35.03 34.30 3cf5 n LYS 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3cf5 n GLY 87 N 2.48 -2.22 0.46 2.58 0.00 -1.26 -4.97 105.19 102.25 3cf5 n GLY 87 Ca 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 3cf5 n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cf5 n LYS 88 N 1.13 0.31 -3.36 1.61 5.02 -1.26 -5.00 118.16 116.61 3cf5 n LYS 88 Ca 0.01 -0.48 -0.08 0.00 -2.02 0.00 0.00 58.31 55.74 3cf5 n LYS 88 Cb 0.29 0.35 -0.01 0.00 -0.02 0.00 0.00 35.03 35.64 3cf5 n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cf5 n GLY 89 N 0.51 -0.10 0.61 0.72 0.00 -1.25 -4.26 105.19 101.42 3cf5 n GLY 89 Ca 0.01 0.05 0.39 0.00 0.00 0.00 0.00 46.02 46.47 3cf5 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf5 h ALA 90 N 2.34 3.37 -0.42 4.61 0.00 -1.91 0.16 119.26 127.42 3cf5 h ALA 90 Ca -0.14 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3cf5 h ALA 90 Cb 0.28 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 3cf5 h ALA 90 CO 0.12 -2.05 0.04 1.33 0.00 0.00 0.00 179.25 178.69 3cf5 n VAL 91 N -3.55 2.57 0.08 0.00 0.24 -1.26 -4.49 118.33 111.92 3cf5 n VAL 91 Ca 0.33 -2.35 -0.12 0.00 -2.04 0.00 0.00 64.34 60.16 3cf5 n VAL 91 Cb 1.74 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 33.74 3cf5 n VAL 91 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3cf5 h GLU 92 N 1.32 -0.43 0.00 7.34 4.57 -0.58 -3.47 114.58 123.32 3cf5 h GLU 92 Ca 0.21 0.03 0.24 0.00 -1.18 0.00 0.00 59.36 58.65 3cf5 h GLU 92 Cb 1.77 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 30.41 3cf5 h GLU 92 CO 0.44 -0.29 0.62 2.48 -1.18 0.00 0.00 179.01 181.08 3cf5 n TYR 93 N -5.39 -0.28 -5.25 0.92 -0.00 -1.26 -5.05 117.16 100.85 3cf5 n TYR 93 Ca -0.05 -0.47 -0.31 0.00 -0.00 0.00 0.00 57.90 57.07 3cf5 n TYR 93 Cb 0.30 0.21 -0.16 0.00 -0.00 0.00 0.00 39.34 39.70 3cf5 n TYR 93 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 3cf5 s TRP 94 N -2.34 2.33 0.17 -3.48 0.51 -1.26 -2.59 118.94 112.27 3cf5 s TRP 94 Ca 0.21 -0.58 0.11 0.00 -2.12 0.00 0.00 56.10 53.71 3cf5 s TRP 94 Cb -0.00 -1.52 -0.04 0.00 -0.81 0.00 0.00 33.47 31.10 3cf5 s TRP 94 CO -0.01 -0.14 -0.24 0.08 -0.51 0.00 0.00 176.95 176.13 3cf5 s VAL 95 N -0.34 2.25 -0.27 4.03 1.01 0.58 -1.11 120.40 126.56 3cf5 s VAL 95 Ca 0.02 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 60.10 3cf5 s VAL 95 Cb -0.12 -2.03 0.08 0.00 0.00 0.00 0.00 36.38 34.30 3cf5 s VAL 95 CO 0.02 -0.06 0.01 -0.55 0.00 0.00 0.00 175.10 174.52 3cf5 s SER 96 N -2.43 3.96 -0.44 3.32 0.15 0.51 -2.39 113.70 116.37 3cf5 s SER 96 Ca 0.17 -1.43 -0.27 0.00 0.70 0.00 0.00 55.95 55.12 3cf5 s SER 96 Cb -0.09 -1.11 -0.03 0.00 -1.71 0.00 0.00 66.02 63.09 3cf5 s SER 96 CO 0.08 -0.32 1.94 0.68 1.20 0.00 0.00 173.24 176.83 3cf5 s VAL 97 N 1.42 3.33 0.20 4.45 -7.23 -1.26 -1.53 120.40 119.78 3cf5 s VAL 97 Ca 0.02 0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 60.39 3cf5 s VAL 97 Cb -0.18 -3.60 -0.06 0.00 0.56 0.00 0.00 36.38 33.10 3cf5 s VAL 97 CO -0.12 -0.49 0.49 -0.69 -0.31 0.00 0.00 175.10 173.98 3cf5 s VAL 98 N 8.53 5.03 0.19 1.32 1.01 -1.18 -4.97 120.40 130.33 3cf5 s VAL 98 Ca 0.80 0.27 0.05 0.00 0.00 0.00 0.00 61.98 63.10 3cf5 s VAL 98 Cb -0.19 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3cf5 s VAL 98 CO 0.28 -0.05 -0.07 -0.75 0.00 0.00 0.00 175.10 174.51 3cf5 s LYS 99 N -2.82 1.22 0.84 2.72 2.47 -1.26 -2.17 119.74 120.74 3cf5 s LYS 99 Ca 0.45 -1.57 -0.15 0.00 -1.56 0.00 0.00 55.97 53.14 3cf5 s LYS 99 Cb -0.11 -0.72 -0.02 0.00 -1.46 0.00 0.00 37.83 35.51 3cf5 s LYS 99 CO 0.23 0.03 0.30 -2.30 0.16 0.00 0.00 175.35 173.77 3cf5 n PRO 100 N -0.32 0.01 0.00 4.03 -0.02 -1.26 -1.81 135.00 135.63 3cf5 n PRO 100 Ca -0.08 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3cf5 n PRO 100 Cb 0.62 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3cf5 n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cf5 n GLY 101 N 1.83 1.86 3.45 -1.23 0.00 0.49 -2.91 105.19 108.68 3cf5 n GLY 101 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3cf5 n GLY 101 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3cf5 n ARG 102 N -1.47 -0.93 -3.93 1.61 3.00 -0.75 -4.69 116.66 109.50 3cf5 n ARG 102 Ca 0.00 -0.23 -0.31 0.00 -0.00 0.00 0.00 57.85 57.31 3cf5 n ARG 102 Cb 0.00 -1.98 -0.15 0.00 0.00 0.00 0.00 32.46 30.33 3cf5 n ARG 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3cf5 s VAL 103 N -2.41 1.68 -0.12 5.15 1.01 -1.26 -1.91 120.40 122.54 3cf5 s VAL 103 Ca 0.60 -1.65 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 3cf5 s VAL 103 Cb -0.20 -2.09 -0.25 0.00 0.00 0.00 0.00 36.38 33.84 3cf5 s VAL 103 CO 0.65 -0.38 0.35 0.23 0.00 0.00 0.00 175.10 175.95 3cf5 n MET 104 N 4.56 0.73 -4.24 2.72 0.00 -1.13 -4.43 117.12 115.33 3cf5 n MET 104 Ca -0.05 0.25 -0.15 0.00 0.00 0.00 0.00 57.70 57.75 3cf5 n MET 104 Cb 0.43 -1.70 -0.10 0.00 0.00 0.00 0.00 33.22 31.85 3cf5 n MET 104 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3cf5 s PHE 105 N -2.56 1.24 -0.32 2.03 0.08 -1.17 -2.24 117.98 115.05 3cf5 s PHE 105 Ca -0.20 -0.72 -0.10 0.00 0.12 0.00 0.00 56.93 56.03 3cf5 s PHE 105 Cb 0.07 -0.64 0.20 0.00 -0.57 0.00 0.00 43.02 42.08 3cf5 s PHE 105 CO 0.76 0.07 1.12 -1.83 -0.10 0.00 0.00 175.22 175.25 3cf5 s GLU 106 N -3.44 0.10 0.96 0.44 1.03 -1.25 0.45 118.70 116.99 3cf5 s GLU 106 Ca 0.14 -0.07 -0.13 0.00 0.03 0.00 0.00 54.97 54.94 3cf5 s GLU 106 Cb 0.01 0.00 0.17 0.00 -0.80 0.00 0.00 34.13 33.51 3cf5 s GLU 106 CO 0.01 -0.14 1.14 0.14 -1.33 0.00 0.00 175.26 175.08 3cf5 s VAL 107 N 1.57 1.96 -0.29 1.83 -7.23 -0.50 -3.69 120.40 114.05 3cf5 s VAL 107 Ca 0.18 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.21 3cf5 s VAL 107 Cb 0.08 -2.69 0.12 0.00 0.56 0.00 0.00 36.38 34.45 3cf5 s VAL 107 CO -0.14 0.00 0.78 0.00 -0.31 0.00 0.00 175.10 175.43 3cf5 s ALA 108 N -3.23 -2.13 0.00 1.32 0.00 -0.07 -1.50 121.76 116.16 3cf5 s ALA 108 Ca 0.65 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.92 3cf5 s ALA 108 Cb -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3cf5 s ALA 108 CO 0.54 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3cf5 n GLY 109 N 4.60 2.10 3.89 0.00 0.00 -1.26 -4.51 105.19 110.02 3cf5 n GLY 109 Ca -0.16 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 3cf5 n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cf5 s VAL 110 N -0.37 4.64 0.50 1.61 -7.23 -1.26 -5.01 120.40 113.28 3cf5 s VAL 110 Ca 0.00 0.45 -0.22 0.00 -1.81 0.00 0.00 61.98 60.41 3cf5 s VAL 110 Cb 0.00 -3.81 -0.09 0.00 0.56 0.00 0.00 36.38 33.05 3cf5 s VAL 110 CO 0.00 -0.92 0.93 0.35 -0.31 0.00 0.00 175.10 175.16 3cf5 n THR 111 N -2.52 2.79 -0.33 5.32 -2.24 -1.26 -4.69 114.28 111.35 3cf5 n THR 111 Ca 0.03 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.47 3cf5 n THR 111 Cb 0.55 -1.09 0.30 0.00 -2.10 0.00 0.00 70.33 67.98 3cf5 n THR 111 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3cf5 n GLU 112 N -0.23 -0.08 -0.03 -0.78 4.07 -1.26 0.00 120.64 122.34 3cf5 n GLU 112 Ca 0.11 1.43 -0.13 0.00 -0.06 0.00 0.00 57.16 58.50 3cf5 n GLU 112 Cb 0.43 -2.28 -0.11 0.00 -0.06 0.00 0.00 31.44 29.42 3cf5 n GLU 112 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3cf5 h GLU 113 N 0.00 0.05 -0.01 5.31 4.57 -1.90 -1.79 114.58 120.81 3cf5 h GLU 113 Ca 0.59 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.74 3cf5 h GLU 113 Cb 1.25 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3cf5 h GLU 113 CO -0.89 0.67 0.00 1.04 -1.18 0.00 0.00 179.01 178.65 3cf5 n GLN 114 N -4.74 0.11 -0.00 1.92 1.13 0.10 0.42 117.38 116.33 3cf5 n GLN 114 Ca -0.09 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.97 3cf5 n GLN 114 Cb 0.34 -1.01 -0.01 0.00 0.11 0.00 0.00 30.24 29.68 3cf5 n GLN 114 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cf5 n ALA 115 N -0.41 1.99 -2.86 -1.58 0.00 0.01 -4.40 120.51 113.26 3cf5 n ALA 115 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 3cf5 n ALA 115 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 19.45 19.67 3cf5 n ALA 115 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cf5 n LYS 116 N -1.99 3.93 0.00 0.00 4.76 0.17 -3.06 118.16 121.98 3cf5 n LYS 116 Ca -0.01 -4.15 0.00 0.00 -2.87 0.00 0.00 58.31 51.28 3cf5 n LYS 116 Cb 0.48 -2.71 0.00 0.00 -1.84 0.00 0.00 35.03 30.97 3cf5 n LYS 116 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3cf5 n GLU 117 N 2.84 0.00 0.00 1.97 4.07 -1.25 -4.78 120.64 123.49 3cf5 n GLU 117 Ca 0.31 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.48 3cf5 n GLU 117 Cb 0.36 0.00 0.34 0.00 -0.06 0.00 0.00 31.44 32.09 3cf5 n GLU 117 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3cf5 n ALA 118 N 0.00 1.75 -0.02 4.31 0.00 -1.17 -2.25 120.51 123.13 3cf5 n ALA 118 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 3cf5 n ALA 118 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 3cf5 n ALA 118 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3cf5 n PHE 119 N -1.42 0.00 -0.27 0.00 0.99 -1.21 -4.20 117.46 111.35 3cf5 n PHE 119 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.43 3cf5 n PHE 119 Cb 0.16 -0.13 -0.06 0.00 -1.00 0.00 0.00 39.48 38.44 3cf5 n PHE 119 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3cf5 n ARG 120 N -3.16 -0.28 0.27 -1.08 0.63 -1.17 0.25 116.66 112.12 3cf5 n ARG 120 Ca -0.07 1.19 -0.16 0.00 -0.92 0.00 0.00 57.85 57.89 3cf5 n ARG 120 Cb 0.55 -1.75 -0.08 0.00 0.45 0.00 0.00 32.46 31.62 3cf5 n ARG 120 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3cf5 h LEU 121 N 0.00 -1.16 -0.66 6.15 3.38 -1.74 -0.57 115.31 120.71 3cf5 h LEU 121 Ca 0.10 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3cf5 h LEU 121 Cb 0.26 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3cf5 h LEU 121 CO -0.60 -0.58 0.57 0.00 0.09 0.00 0.00 178.44 177.93 3cf5 h ALA 122 N -1.08 1.46 0.00 1.53 0.00 0.02 1.49 119.26 122.68 3cf5 h ALA 122 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3cf5 h ALA 122 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3cf5 h ALA 122 CO -0.03 -0.46 -1.56 0.41 0.00 0.00 0.00 179.25 177.61 3cf5 n GLY 123 N -1.30 -1.21 0.06 0.00 0.00 0.69 -4.02 105.19 99.41 3cf5 n GLY 123 Ca -0.01 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.73 3cf5 n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cf5 n HIS 124 N -2.47 0.38 -1.59 1.61 -0.00 0.51 -3.00 115.22 110.65 3cf5 n HIS 124 Ca -0.03 0.14 -0.08 0.00 -0.00 0.00 0.00 57.72 57.75 3cf5 n HIS 124 Cb 0.58 -0.73 0.16 0.00 -0.00 0.00 0.00 29.99 30.01 3cf5 n HIS 124 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 3cf5 n LYS 125 N -1.84 2.18 -5.00 -0.41 0.00 -1.23 -5.00 118.16 106.87 3cf5 n LYS 125 Ca 0.04 -3.42 -0.30 0.00 -0.00 0.00 0.00 58.31 54.63 3cf5 n LYS 125 Cb 0.23 -1.90 -0.15 0.00 -0.00 0.00 0.00 35.03 33.21 3cf5 n LYS 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3cf5 s LEU 126 N -3.36 2.14 0.00 -5.58 1.43 -1.16 -4.93 118.68 107.22 3cf5 s LEU 126 Ca 0.46 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 3cf5 s LEU 126 Cb 0.41 -1.30 0.28 0.00 0.03 0.00 0.00 46.19 45.61 3cf5 s LEU 126 CO -0.01 0.27 0.66 -2.65 0.23 0.00 0.00 176.35 174.86 3cf5 n PRO 127 N 1.92 0.22 -3.21 1.29 -0.02 -1.26 -4.80 135.00 129.14 3cf5 n PRO 127 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.21 3cf5 n PRO 127 Cb 0.52 -1.33 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 3cf5 n PRO 127 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3cf5 n ILE 128 N -0.83 0.00 -3.78 4.25 -6.64 -1.26 -5.06 119.36 106.04 3cf5 n ILE 128 Ca 0.04 -1.32 -0.35 0.00 -1.77 0.00 0.00 62.75 59.35 3cf5 n ILE 128 Cb 0.02 0.68 -0.08 0.00 -1.44 0.00 0.00 39.64 38.81 3cf5 n ILE 128 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 3cf5 s GLN 129 N -2.72 4.14 0.13 6.28 -0.21 -1.26 -4.99 119.66 121.03 3cf5 s GLN 129 Ca 0.22 -0.25 0.05 0.00 0.02 0.00 0.00 55.36 55.40 3cf5 s GLN 129 Cb 0.01 -3.39 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 3cf5 s GLN 129 CO 0.15 0.28 -0.12 0.95 -2.12 0.00 0.00 175.29 174.43 3cf5 s THR 130 N 0.41 1.24 0.09 -0.19 -4.23 -1.26 -0.01 115.64 111.69 3cf5 s THR 130 Ca 0.07 -1.82 0.05 0.00 -1.18 0.00 0.00 61.69 58.80 3cf5 s THR 130 Cb -0.11 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.08 3cf5 s THR 130 CO -0.01 -0.54 -0.12 -1.59 -0.54 0.00 0.00 174.62 171.81 3cf5 s LYS 131 N -3.03 0.84 0.54 3.99 -2.85 -0.88 -4.95 119.74 113.39 3cf5 s LYS 131 Ca 0.11 -1.06 -0.08 0.00 -1.00 0.00 0.00 55.97 53.95 3cf5 s LYS 131 Cb -0.02 -0.70 -0.04 0.00 -2.06 0.00 0.00 37.83 35.01 3cf5 s LYS 131 CO 0.02 0.14 0.89 1.41 0.10 0.00 0.00 175.35 177.91 3cf5 s MET 132 N -2.24 3.58 0.18 1.78 1.75 -1.26 -1.77 119.30 121.32 3cf5 s MET 132 Ca 0.02 0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 54.83 3cf5 s MET 132 Cb -0.07 -2.25 -0.02 0.00 2.84 0.00 0.00 34.83 35.34 3cf5 s MET 132 CO 0.02 -0.35 0.26 0.14 -0.65 0.00 0.00 175.02 174.43 3cf5 s VAL 133 N -2.91 0.05 0.00 10.11 -7.23 0.14 -4.94 120.40 115.63 3cf5 s VAL 133 Ca 0.51 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 3cf5 s VAL 133 Cb -0.11 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.81 3cf5 s VAL 133 CO 0.48 -0.23 0.00 2.29 -0.31 0.00 0.00 175.10 177.33 3cf5 n LYS 134 N -0.23 0.00 0.00 4.82 2.85 -1.26 -1.26 118.16 123.07 3cf5 n LYS 134 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 3cf5 n LYS 134 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 3cf5 n LYS 134 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3cf5 n ARG 135 N -0.94 0.00 -0.99 -1.58 1.74 -1.26 -4.59 116.66 109.04 3cf5 n ARG 135 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3cf5 n ARG 135 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3cf5 n ARG 135 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3cf5 n GLU 136 N 0.00 -0.23 -2.72 5.56 4.07 -1.26 -4.97 120.64 121.08 3cf5 n GLU 136 Ca 0.00 0.06 -0.42 0.00 -0.06 0.00 0.00 57.16 56.74 3cf5 n GLU 136 Cb 0.00 -3.21 -0.03 0.00 -0.06 0.00 0.00 31.44 28.14 3cf5 n GLU 136 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3cf5 s VAL 137 N -2.04 4.06 -0.42 6.31 1.01 -1.26 -4.91 120.40 123.15 3cf5 s VAL 137 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.99 3cf5 s VAL 137 Cb 0.00 -4.79 0.20 0.00 0.00 0.00 0.00 36.38 31.78 3cf5 s VAL 137 CO 0.00 -1.64 0.46 -1.22 0.00 0.00 0.00 175.10 172.70 3cf5 n TYR 138 N 8.43 -1.27 0.00 5.22 4.01 -1.26 -4.71 117.16 127.57 3cf5 n TYR 138 Ca -0.00 -3.06 0.00 0.00 -0.16 0.00 0.00 57.90 54.68 3cf5 n TYR 138 Cb 0.47 0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 3cf5 n TYR 138 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3cf5 n ASP 139 N 2.44 0.00 -4.58 7.72 10.43 -1.26 -5.04 116.55 126.26 3cf5 n ASP 139 Ca 0.25 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.29 3cf5 n ASP 139 Cb 0.51 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 43.36 3cf5 n ASP 139 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 3cf5 s GLU 140 N 0.00 2.58 0.00 -1.24 -1.05 -1.26 -5.28 118.70 112.45 3cf5 s GLU 140 Ca 0.00 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 3cf5 s GLU 140 Cb 0.00 -2.51 0.00 0.00 -0.44 0.00 0.00 34.13 31.18 3cf5 s GLU 140 CO 0.00 0.62 0.00 0.00 0.95 0.00 0.00 175.26 176.83