#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 s ILE 2 N 0.00 4.00 0.13 2.02 -1.09 0.16 -4.85 121.20 121.56 3cf5 s ILE 2 Ca 0.00 -0.56 -0.18 0.00 -2.23 0.00 0.00 60.65 57.68 3cf5 s ILE 2 Cb 0.00 -2.73 0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3cf5 s ILE 2 CO 0.00 0.46 0.45 0.00 -1.23 0.00 0.00 174.94 174.62 3cf5 s MET 3 N -1.29 1.11 0.12 2.79 0.23 -1.26 0.21 119.30 121.21 3cf5 s MET 3 Ca 0.17 -0.62 -0.34 0.00 -1.03 0.00 0.00 55.69 53.87 3cf5 s MET 3 Cb -0.11 0.50 -0.18 0.00 -1.53 0.00 0.00 34.83 33.51 3cf5 s MET 3 CO 0.07 -0.44 0.92 -2.30 -2.03 0.00 0.00 175.02 171.23 3cf5 n PRO 4 N -0.20 0.38 -0.45 3.16 -0.02 -1.26 -0.58 135.00 136.02 3cf5 n PRO 4 Ca -0.16 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3cf5 n PRO 4 Cb 0.64 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 3cf5 n PRO 4 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3cf5 n GLN 5 N 1.40 0.00 -2.97 -0.52 -0.06 -1.21 -4.95 117.38 109.08 3cf5 n GLN 5 Ca 0.18 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.74 3cf5 n GLN 5 Cb 0.19 -1.40 -0.03 0.00 -4.06 0.00 0.00 30.24 24.94 3cf5 n GLN 5 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3cf5 s SER 6 N -3.08 6.51 0.09 1.69 0.15 0.25 -4.70 113.70 114.61 3cf5 s SER 6 Ca 0.00 -1.84 -0.31 0.00 0.70 0.00 0.00 55.95 54.50 3cf5 s SER 6 Cb 0.00 -2.38 -0.10 0.00 -1.71 0.00 0.00 66.02 61.84 3cf5 s SER 6 CO 0.00 -1.10 1.87 -0.13 1.20 0.00 0.00 173.24 175.08 3cf5 s ARG 7 N 2.73 4.14 0.57 5.44 0.52 -1.26 -3.07 118.95 128.03 3cf5 s ARG 7 Ca 0.27 2.59 0.07 0.00 -0.52 0.00 0.00 55.73 58.14 3cf5 s ARG 7 Cb -0.09 -3.80 0.07 0.00 0.52 0.00 0.00 34.95 31.64 3cf5 s ARG 7 CO -0.04 -0.88 0.55 -0.51 0.02 0.00 0.00 175.30 174.44 3cf5 s LEU 8 N 3.36 2.75 0.10 2.53 1.43 0.24 -4.92 118.68 124.17 3cf5 s LEU 8 Ca 0.83 -1.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3cf5 s LEU 8 Cb -0.45 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3cf5 s LEU 8 CO 0.38 -1.26 -0.05 -1.81 0.23 0.00 0.00 176.35 173.84 3cf5 s ASP 9 N -4.44 4.69 -0.19 2.29 -0.00 -0.06 -2.76 116.67 116.19 3cf5 s ASP 9 Ca 0.42 -0.30 -0.14 0.00 -0.00 0.00 0.00 52.55 52.53 3cf5 s ASP 9 Cb -0.03 -1.00 -0.04 0.00 -0.00 0.00 0.00 42.92 41.84 3cf5 s ASP 9 CO 0.27 0.17 0.31 -0.69 -0.00 0.00 0.00 175.17 175.23 3cf5 s VAL 10 N -1.30 5.27 -0.75 -1.27 1.01 -0.93 0.20 120.40 122.62 3cf5 s VAL 10 Ca 0.24 0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 3cf5 s VAL 10 Cb -0.11 -3.65 0.31 0.00 0.00 0.00 0.00 36.38 32.93 3cf5 s VAL 10 CO 0.16 0.32 2.16 0.00 0.00 0.00 0.00 175.10 177.74 3cf5 n ALA 11 N 4.11 6.47 -3.50 5.51 0.00 0.58 -4.87 120.51 128.82 3cf5 n ALA 11 Ca -0.11 -3.83 -0.11 0.00 0.00 0.00 0.00 53.44 49.40 3cf5 n ALA 11 Cb 0.52 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 3cf5 n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3cf5 s ASP 12 N -0.89 -0.44 0.00 0.00 1.47 -1.26 -0.48 116.67 115.07 3cf5 s ASP 12 Ca 0.54 0.14 0.00 0.00 1.18 0.00 0.00 52.55 54.41 3cf5 s ASP 12 Cb 0.43 0.43 0.00 0.00 -0.34 0.00 0.00 42.92 43.45 3cf5 s ASP 12 CO -0.34 -0.65 0.58 -0.46 0.68 0.00 0.00 175.17 174.98 3cf5 n ASN 13 N -0.01 0.78 -0.20 2.11 0.23 -1.19 -4.04 115.26 112.95 3cf5 n ASN 13 Ca -0.12 -1.95 0.30 0.00 -0.53 0.00 0.00 54.58 52.29 3cf5 n ASN 13 Cb 0.61 -0.39 0.68 0.00 -2.08 0.00 0.00 39.78 38.60 3cf5 n ASN 13 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3cf5 h SER 14 N 0.02 0.00 0.00 0.53 4.64 -1.87 -3.45 113.55 113.43 3cf5 h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cf5 h SER 14 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3cf5 h SER 14 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3cf5 n GLY 15 N -1.68 2.63 3.51 -0.77 0.00 -1.26 -2.56 105.19 105.06 3cf5 n GLY 15 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3cf5 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf5 s ALA 16 N -2.41 3.36 0.03 4.61 0.00 -1.26 0.10 121.76 126.20 3cf5 s ALA 16 Ca 0.00 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 3cf5 s ALA 16 Cb 0.00 -3.25 -0.17 0.00 0.00 0.00 0.00 23.12 19.70 3cf5 s ALA 16 CO 0.00 -1.75 1.33 0.00 0.00 0.00 0.00 175.76 175.34 3cf5 h ARG 17 N 8.85 -0.87 -5.01 0.00 3.08 0.55 -3.41 114.38 117.57 3cf5 h ARG 17 Ca -0.26 0.06 -0.53 0.00 0.07 0.00 0.00 59.98 59.33 3cf5 h ARG 17 Cb 1.10 0.20 -0.32 0.00 0.08 0.00 0.00 29.97 31.03 3cf5 h ARG 17 CO 0.87 -0.54 -0.82 -2.00 -1.07 0.00 0.00 179.97 176.41 3cf5 s GLU 18 N -5.22 1.60 -0.01 0.04 2.12 -0.57 -2.18 118.70 114.48 3cf5 s GLU 18 Ca -0.16 -0.51 0.06 0.00 0.36 0.00 0.00 54.97 54.72 3cf5 s GLU 18 Cb 0.02 -1.39 -0.02 0.00 0.26 0.00 0.00 34.13 33.01 3cf5 s GLU 18 CO 0.52 0.18 -0.20 0.96 -0.54 0.00 0.00 175.26 176.18 3cf5 s ILE 19 N 0.18 1.58 0.10 -3.70 -4.36 -1.11 -1.36 121.20 112.53 3cf5 s ILE 19 Ca -0.06 -0.89 -0.10 0.00 -0.26 0.00 0.00 60.65 59.35 3cf5 s ILE 19 Cb -0.12 -1.32 -0.06 0.00 1.25 0.00 0.00 42.46 42.22 3cf5 s ILE 19 CO 0.02 0.42 0.43 -0.32 0.24 0.00 0.00 174.94 175.73 3cf5 s MET 20 N -0.54 3.79 0.74 0.37 -2.45 -1.09 0.80 119.30 120.92 3cf5 s MET 20 Ca 0.08 0.21 -0.11 0.00 -1.25 0.00 0.00 55.69 54.62 3cf5 s MET 20 Cb -0.08 -2.95 0.04 0.00 1.25 0.00 0.00 34.83 33.09 3cf5 s MET 20 CO -0.00 0.53 1.08 0.00 1.05 0.00 0.00 175.02 177.67 3cf5 n ILE 22 N -3.33 0.00 -3.57 0.00 3.06 -0.55 -3.30 119.36 111.67 3cf5 n ILE 22 Ca 0.08 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.19 3cf5 n ILE 22 Cb 0.54 -0.11 -0.06 0.00 0.54 0.00 0.00 39.64 40.55 3cf5 n ILE 22 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 3cf5 s ARG 23 N -1.16 0.83 -0.39 9.51 3.52 -1.04 -4.76 118.95 125.45 3cf5 s ARG 23 Ca 0.00 0.39 -0.15 0.00 -0.13 0.00 0.00 55.73 55.84 3cf5 s ARG 23 Cb 0.00 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.79 3cf5 s ARG 23 CO 0.00 -0.22 0.32 0.08 -0.81 0.00 0.00 175.30 174.67 3cf5 s VAL 24 N -0.74 5.23 0.86 7.11 1.01 -1.26 -0.55 120.40 132.07 3cf5 s VAL 24 Ca -0.05 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 3cf5 s VAL 24 Cb -0.02 -3.90 0.14 0.00 0.00 0.00 0.00 36.38 32.60 3cf5 s VAL 24 CO 0.04 -0.26 1.22 -0.76 0.00 0.00 0.00 175.10 175.34 3cf5 s LEU 25 N 1.79 2.67 -1.04 3.92 1.43 -0.62 -4.89 118.68 121.94 3cf5 s LEU 25 Ca 0.07 0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.57 3cf5 s LEU 25 Cb -0.18 -2.72 0.30 0.00 0.03 0.00 0.00 46.19 43.62 3cf5 s LEU 25 CO 0.11 -2.26 1.35 -3.20 0.23 0.00 0.00 176.35 172.57 3cf5 n ASN 26 N -3.46 6.00 0.00 2.29 5.15 -1.26 -4.54 115.26 119.44 3cf5 n ASN 26 Ca 0.12 -3.36 0.00 0.00 -0.60 0.00 0.00 54.58 50.74 3cf5 n ASN 26 Cb 0.60 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 3cf5 n ASN 26 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3cf5 n SER 27 N 1.47 0.00 -2.14 1.20 3.41 -1.26 -4.12 113.62 112.18 3cf5 n SER 27 Ca 0.26 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.64 3cf5 n SER 27 Cb 0.35 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3cf5 n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cf5 n GLY 28 N 0.00 4.57 3.61 5.00 0.00 -1.26 -4.81 105.19 112.30 3cf5 n GLY 28 Ca 0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3cf5 n GLY 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cf5 s ILE 29 N -2.91 3.48 0.00 -0.61 2.07 -1.26 0.59 121.20 122.55 3cf5 s ILE 29 Ca 0.44 0.51 0.00 0.00 -1.41 0.00 0.00 60.65 60.19 3cf5 s ILE 29 Cb 0.33 -3.57 0.00 0.00 0.13 0.00 0.00 42.46 39.35 3cf5 s ILE 29 CO -0.06 -0.31 0.00 0.61 -1.91 0.00 0.00 174.94 173.27 3cf5 n GLY 30 N 5.16 1.10 7.00 1.50 0.00 -1.03 -4.80 105.19 114.12 3cf5 n GLY 30 Ca 0.22 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3cf5 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 31 N -0.39 3.44 0.00 -0.02 0.00 -1.26 -3.60 105.19 103.36 3cf5 n GLY 31 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3cf5 n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cf5 n LYS 32 N 13.30 0.00 0.00 1.61 5.02 -1.26 -5.00 118.16 131.83 3cf5 n LYS 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3cf5 n LYS 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3cf5 n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cf5 n GLY 33 N 4.81 -1.82 3.65 0.72 0.00 -1.26 -4.90 105.19 106.40 3cf5 n GLY 33 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3cf5 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cf5 s LEU 34 N 0.00 4.12 1.23 0.99 1.43 -1.21 -2.45 118.68 122.79 3cf5 s LEU 34 Ca 0.00 1.11 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 3cf5 s LEU 34 Cb 0.00 -3.22 0.30 0.00 0.03 0.00 0.00 46.19 43.30 3cf5 s LEU 34 CO 0.00 -0.47 0.94 0.35 0.23 0.00 0.00 176.35 177.39 3cf5 n THR 35 N 5.04 0.00 -3.85 5.49 -2.24 2.49 -4.85 114.28 116.35 3cf5 n THR 35 Ca 0.05 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 61.12 3cf5 n THR 35 Cb 0.48 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 3cf5 n THR 35 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3cf5 s THR 36 N -2.35 5.29 0.02 4.28 -4.23 -1.26 -4.19 115.64 113.20 3cf5 s THR 36 Ca 0.68 -0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 3cf5 s THR 36 Cb -0.24 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 69.86 3cf5 s THR 36 CO 0.65 -0.11 0.02 0.61 -0.54 0.00 0.00 174.62 175.25 3cf5 n GLY 37 N -0.55 -0.13 2.62 3.99 0.00 -1.26 -4.87 105.19 104.99 3cf5 n GLY 37 Ca -0.06 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3cf5 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 38 N 0.13 5.11 0.00 -0.02 0.00 -1.26 -4.98 105.19 104.17 3cf5 n GLY 38 Ca 0.01 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.27 3cf5 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 39 N 0.59 2.80 0.89 -0.02 0.00 -1.26 -4.88 105.19 103.31 3cf5 n GLY 39 Ca 0.31 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.70 3cf5 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 40 N 0.62 1.26 0.00 -0.02 0.00 -1.26 -4.75 105.19 101.03 3cf5 n GLY 40 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3cf5 n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cf5 n ASN 41 N 0.89 0.00 -1.94 1.61 2.04 -1.26 -5.09 115.26 111.51 3cf5 n ASN 41 Ca 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.30 3cf5 n ASN 41 Cb 0.41 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.66 3cf5 n ASN 41 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 3cf5 n LYS 42 N 0.00 -1.67 -0.02 -3.83 4.81 -1.26 -4.90 118.16 111.28 3cf5 n LYS 42 Ca 0.00 1.20 0.08 0.00 -0.87 0.00 0.00 58.31 58.71 3cf5 n LYS 42 Cb 0.00 -1.76 -0.16 0.00 0.02 0.00 0.00 35.03 33.13 3cf5 n LYS 42 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 3cf5 n ARG 43 N 1.83 0.66 -5.01 1.64 1.85 -1.26 -4.77 116.66 111.60 3cf5 n ARG 43 Ca 0.00 -0.17 -0.28 0.00 -1.00 0.00 0.00 57.85 56.40 3cf5 n ARG 43 Cb 0.00 -1.50 -0.16 0.00 -1.05 0.00 0.00 32.46 29.75 3cf5 n ARG 43 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3cf5 s TYR 44 N -3.31 2.03 -0.13 2.89 2.02 -1.26 -4.53 117.35 115.05 3cf5 s TYR 44 Ca -0.08 -0.61 -0.19 0.00 -0.37 0.00 0.00 57.07 55.81 3cf5 s TYR 44 Cb 0.12 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 3cf5 s TYR 44 CO 0.86 -0.20 0.54 0.00 -1.57 0.00 0.00 175.55 175.17 3cf5 s ALA 45 N -0.00 3.47 0.02 3.71 0.00 0.56 -4.78 121.76 124.74 3cf5 s ALA 45 Ca -0.05 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.79 3cf5 s ALA 45 Cb -0.13 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 3cf5 s ALA 45 CO 0.03 -0.14 -0.16 -1.01 0.00 0.00 0.00 175.76 174.48 3cf5 s HIS 46 N 0.94 2.62 -0.06 0.00 0.09 -1.26 0.40 115.29 118.03 3cf5 s HIS 46 Ca 0.28 -0.22 -0.18 0.00 -0.00 0.00 0.00 55.06 54.94 3cf5 s HIS 46 Cb -0.16 -1.51 -0.09 0.00 -0.00 0.00 0.00 32.58 30.83 3cf5 s HIS 46 CO 0.11 0.25 0.53 0.28 -0.00 0.00 0.00 174.74 175.91 3cf5 n VAL 47 N 1.69 0.00 -0.27 -0.90 0.31 -1.26 0.13 118.33 118.04 3cf5 n VAL 47 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3cf5 n VAL 47 Cb 0.52 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 3cf5 n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cf5 n GLY 48 N 0.94 0.87 3.91 2.92 0.00 0.49 -4.84 105.19 109.47 3cf5 n GLY 48 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3cf5 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf5 s ASP 49 N -2.93 6.46 -0.12 1.61 1.01 0.12 -4.88 116.67 117.93 3cf5 s ASP 49 Ca 0.00 0.64 -0.04 0.00 0.71 0.00 0.00 52.55 53.86 3cf5 s ASP 49 Cb 0.00 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 3cf5 s ASP 49 CO 0.00 -0.11 0.04 -0.63 0.21 0.00 0.00 175.17 174.68 3cf5 s ILE 50 N -1.94 4.61 0.40 0.77 1.01 -1.26 -1.69 121.20 123.10 3cf5 s ILE 50 Ca 0.42 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.01 3cf5 s ILE 50 Cb -0.11 -2.99 -0.07 0.00 0.01 0.00 0.00 42.46 39.30 3cf5 s ILE 50 CO 0.28 0.57 0.02 0.27 0.00 0.00 0.00 174.94 176.08 3cf5 s ILE 51 N -0.58 1.79 0.07 2.92 -4.36 -0.61 -1.59 121.20 118.84 3cf5 s ILE 51 Ca 0.10 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.54 3cf5 s ILE 51 Cb -0.12 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.63 3cf5 s ILE 51 CO 0.02 0.00 -0.02 -0.69 0.24 0.00 0.00 174.94 174.49 3cf5 s VAL 52 N -2.84 3.88 0.14 8.37 1.01 0.29 -1.78 120.40 129.47 3cf5 s VAL 52 Ca 0.34 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 3cf5 s VAL 52 Cb 0.09 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 33.70 3cf5 s VAL 52 CO 0.17 0.18 0.45 0.00 0.00 0.00 0.00 175.10 175.89 3cf5 s ALA 53 N -1.24 -1.04 -0.26 5.51 0.00 0.62 -1.48 121.76 123.87 3cf5 s ALA 53 Ca 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 3cf5 s ALA 53 Cb -0.11 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.78 3cf5 s ALA 53 CO 0.15 -0.68 -0.03 0.45 0.00 0.00 0.00 175.76 175.65 3cf5 s SER 54 N -2.80 4.52 -0.10 0.00 0.15 -0.92 0.16 113.70 114.70 3cf5 s SER 54 Ca 0.03 -0.83 -0.30 0.00 0.70 0.00 0.00 55.95 55.56 3cf5 s SER 54 Cb 0.01 -1.72 -0.08 0.00 -1.71 0.00 0.00 66.02 62.53 3cf5 s SER 54 CO -0.11 -0.14 2.09 0.52 1.20 0.00 0.00 173.24 176.80 3cf5 n VAL 55 N 4.72 0.55 1.02 4.45 0.31 0.15 -2.66 118.33 126.86 3cf5 n VAL 55 Ca -0.16 -0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.00 3cf5 n VAL 55 Cb 0.47 -2.36 0.06 0.00 -0.91 0.00 0.00 33.84 31.10 3cf5 n VAL 55 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3cf5 n LYS 56 N 8.03 0.17 -3.44 5.55 4.76 -0.46 -0.91 118.16 131.85 3cf5 n LYS 56 Ca 0.25 -0.12 0.01 0.00 -2.87 0.00 0.00 58.31 55.58 3cf5 n LYS 56 Cb 0.41 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.07 3cf5 n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3cf5 s ASP 57 N -2.92 -1.24 0.24 4.39 1.01 -0.63 -4.87 116.67 112.66 3cf5 s ASP 57 Ca 0.11 1.28 0.11 0.00 0.71 0.00 0.00 52.55 54.76 3cf5 s ASP 57 Cb 0.17 2.24 -0.05 0.00 1.01 0.00 0.00 42.92 46.29 3cf5 s ASP 57 CO 0.76 -0.23 -0.20 0.00 0.21 0.00 0.00 175.17 175.70 3cf5 s ALA 58 N 2.88 2.52 0.58 5.23 0.00 -1.26 0.34 121.76 132.05 3cf5 s ALA 58 Ca 0.05 -1.76 -0.07 0.00 0.00 0.00 0.00 51.96 50.19 3cf5 s ALA 58 Cb -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3cf5 s ALA 58 CO -0.20 0.27 0.90 0.00 0.00 0.00 0.00 175.76 176.74 3cf5 s ALA 59 N -2.36 3.27 -0.12 0.00 0.00 0.29 -4.71 121.76 118.13 3cf5 s ALA 59 Ca 0.25 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 3cf5 s ALA 59 Cb -0.05 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 3cf5 s ALA 59 CO 0.12 -0.72 1.54 -2.14 0.00 0.00 0.00 175.76 174.56 3cf5 s PRO 60 N -4.99 4.10 0.00 0.00 0.02 -1.26 -4.42 135.00 128.45 3cf5 s PRO 60 Ca 0.53 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3cf5 s PRO 60 Cb -0.11 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 30.47 3cf5 s PRO 60 CO 0.46 -0.92 0.00 0.54 -0.33 0.00 0.00 177.00 176.75 3cf5 n ARG 61 N 7.13 0.00 0.00 5.54 1.74 -1.26 -5.14 116.66 124.67 3cf5 n ARG 61 Ca 0.17 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3cf5 n ARG 61 Cb 0.44 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 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 1.30 3.57 0.00 -0.13 0.00 -1.26 -4.93 105.19 103.74 3cf5 n GLY 62 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 3cf5 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf5 h ALA 63 N 0.00 -0.22 -2.70 4.61 0.00 -1.89 -3.41 119.26 115.65 3cf5 h ALA 63 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3cf5 h ALA 63 Cb 0.00 0.78 0.07 0.00 0.00 0.00 0.00 17.79 18.64 3cf5 h ALA 63 CO 0.00 -0.22 0.48 0.08 0.00 0.00 0.00 179.25 179.58 3cf5 s VAL 64 N -3.01 3.04 0.09 0.00 1.01 -1.06 -5.06 120.40 115.40 3cf5 s VAL 64 Ca -0.00 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 3cf5 s VAL 64 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3cf5 s VAL 64 CO 0.00 -0.05 0.01 -0.54 0.00 0.00 0.00 175.10 174.52 3cf5 s LYS 65 N -2.87 0.75 0.26 2.72 3.01 -1.26 -4.42 119.74 117.93 3cf5 s LYS 65 Ca 0.67 -1.32 -0.29 0.00 -1.01 0.00 0.00 55.97 54.02 3cf5 s LYS 65 Cb -0.28 0.22 -0.14 0.00 -1.01 0.00 0.00 37.83 36.62 3cf5 s LYS 65 CO 0.34 -0.18 1.06 0.00 0.51 0.00 0.00 175.35 177.08 3cf5 n ALA 66 N 0.02 -0.26 -0.97 5.17 0.00 -1.26 -0.80 120.51 122.40 3cf5 n ALA 66 Ca -0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3cf5 n ALA 66 Cb 0.62 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3cf5 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 67 N 1.44 0.92 3.82 0.00 0.00 -0.09 -5.00 105.19 106.28 3cf5 n GLY 67 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3cf5 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf5 s ASP 68 N -2.91 6.54 -0.35 1.61 1.01 0.02 -4.78 116.67 117.81 3cf5 s ASP 68 Ca 0.00 1.74 -0.08 0.00 0.71 0.00 0.00 52.55 54.92 3cf5 s ASP 68 Cb 0.00 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.43 3cf5 s ASP 68 CO 0.00 -0.64 0.14 -0.69 0.21 0.00 0.00 175.17 174.19 3cf5 s VAL 69 N -2.27 4.11 0.42 -1.27 1.01 -1.26 0.35 120.40 121.49 3cf5 s VAL 69 Ca 0.63 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3cf5 s VAL 69 Cb -0.12 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 3cf5 s VAL 69 CO 0.23 -0.18 0.04 0.54 0.00 0.00 0.00 175.10 175.72 3cf5 s VAL 70 N 1.47 1.31 -0.13 2.92 0.11 0.42 -4.89 120.40 121.61 3cf5 s VAL 70 Ca 0.00 -2.00 -0.04 0.00 -2.93 0.00 0.00 61.98 57.01 3cf5 s VAL 70 Cb -0.19 -2.57 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 3cf5 s VAL 70 CO 0.04 0.00 0.01 -0.54 -3.33 0.00 0.00 175.10 171.28 3cf5 s LYS 71 N -3.80 3.44 0.17 1.54 1.02 -1.26 0.23 119.74 121.07 3cf5 s LYS 71 Ca 0.24 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.84 3cf5 s LYS 71 Cb 0.06 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 3cf5 s LYS 71 CO 0.12 0.47 -0.01 0.00 -0.92 0.00 0.00 175.35 175.01 3cf5 s ALA 72 N -0.24 1.39 -0.18 5.17 0.00 -0.73 0.65 121.76 127.82 3cf5 s ALA 72 Ca 0.06 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.44 3cf5 s ALA 72 Cb -0.12 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.49 3cf5 s ALA 72 CO 0.02 -0.28 -0.16 0.54 0.00 0.00 0.00 175.76 175.87 3cf5 s VAL 73 N -3.59 1.88 -0.26 0.00 0.11 -1.05 -1.57 120.40 115.92 3cf5 s VAL 73 Ca 0.23 -0.93 -0.28 0.00 -2.93 0.00 0.00 61.98 58.07 3cf5 s VAL 73 Cb 0.06 -1.77 -0.06 0.00 -1.53 0.00 0.00 36.38 33.08 3cf5 s VAL 73 CO 0.04 0.42 2.25 0.52 -3.33 0.00 0.00 175.10 175.00 3cf5 n VAL 74 N 4.65 0.29 -0.05 2.04 0.31 -0.68 -2.58 118.33 122.30 3cf5 n VAL 74 Ca -0.18 -0.49 -0.01 0.00 -0.01 0.00 0.00 64.34 63.64 3cf5 n VAL 74 Cb 0.49 -2.55 -0.14 0.00 -0.91 0.00 0.00 33.84 30.72 3cf5 n VAL 74 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3cf5 n VAL 75 N 7.78 0.71 -3.64 2.52 0.24 -0.56 0.18 118.33 125.56 3cf5 n VAL 75 Ca 0.31 -0.62 -0.28 0.00 -2.04 0.00 0.00 64.34 61.72 3cf5 n VAL 75 Cb 0.45 -0.29 -0.16 0.00 -1.47 0.00 0.00 33.84 32.37 3cf5 n VAL 75 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3cf5 s ARG 76 N -2.79 0.35 -0.15 7.34 0.52 -0.70 -1.50 118.95 122.02 3cf5 s ARG 76 Ca -0.08 -0.49 -0.07 0.00 -0.52 0.00 0.00 55.73 54.57 3cf5 s ARG 76 Cb 0.08 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 3cf5 s ARG 76 CO 0.75 -0.84 0.10 0.95 0.02 0.00 0.00 175.30 176.28 3cf5 s THR 77 N 1.97 5.18 -2.00 0.02 -4.23 -1.26 0.51 115.64 115.83 3cf5 s THR 77 Ca 0.05 0.10 0.11 0.00 -1.18 0.00 0.00 61.69 60.76 3cf5 s THR 77 Cb -0.16 -3.30 0.30 0.00 1.34 0.00 0.00 72.50 70.68 3cf5 s THR 77 CO -0.21 0.53 1.28 -0.24 -0.54 0.00 0.00 174.62 175.44 3cf5 n SER 78 N 2.77 0.00 0.00 3.99 2.88 -1.24 -3.33 113.62 118.68 3cf5 n SER 78 Ca -0.18 -1.36 0.00 0.00 -1.33 0.00 0.00 58.87 56.00 3cf5 n SER 78 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3cf5 n SER 78 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3cf5 n HIS 79 N -0.70 0.00 -3.65 0.66 -0.00 -1.26 -4.64 115.22 105.62 3cf5 n HIS 79 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.75 3cf5 n HIS 79 Cb 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.96 3cf5 n HIS 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3cf5 s ALA 80 N -3.46 -1.58 0.13 1.57 0.00 -1.26 -4.50 121.76 112.66 3cf5 s ALA 80 Ca 0.00 1.91 -0.11 0.00 0.00 0.00 0.00 51.96 53.76 3cf5 s ALA 80 Cb 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 23.12 21.52 3cf5 s ALA 80 CO 0.00 -0.84 0.47 -1.50 0.00 0.00 0.00 175.76 173.89 3cf5 s ILE 81 N 2.74 5.00 -0.23 0.00 2.07 -0.76 -4.92 121.20 125.09 3cf5 s ILE 81 Ca -0.04 0.54 -0.00 0.00 -1.41 0.00 0.00 60.65 59.74 3cf5 s ILE 81 Cb -0.12 -3.67 0.06 0.00 0.13 0.00 0.00 42.46 38.87 3cf5 s ILE 81 CO -0.16 0.19 -0.02 -0.75 -1.91 0.00 0.00 174.94 172.29 3cf5 s LYS 82 N -2.14 1.34 0.69 3.50 2.20 -1.26 -2.09 119.74 121.97 3cf5 s LYS 82 Ca 0.38 -0.90 -0.13 0.00 -0.36 0.00 0.00 55.97 54.96 3cf5 s LYS 82 Cb -0.14 -2.46 0.01 0.00 -1.51 0.00 0.00 37.83 33.73 3cf5 s LYS 82 CO 0.19 -0.65 1.08 1.03 -0.36 0.00 0.00 175.35 176.65 3cf5 s ARG 83 N 1.50 2.80 0.63 4.03 0.52 -1.10 -4.93 118.95 122.40 3cf5 s ARG 83 Ca -0.03 1.15 0.35 0.00 -0.52 0.00 0.00 55.73 56.68 3cf5 s ARG 83 Cb -0.18 -1.97 1.97 0.00 0.52 0.00 0.00 34.95 35.29 3cf5 s ARG 83 CO -0.08 -1.22 2.22 0.00 0.02 0.00 0.00 175.30 176.24 3cf5 h ALA 84 N -0.44 1.40 -0.30 2.13 0.00 -2.00 0.16 119.26 120.21 3cf5 h ALA 84 Ca -0.45 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3cf5 h ALA 84 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3cf5 h ALA 84 CO 0.55 -0.11 -0.30 0.38 0.00 0.00 0.00 179.25 179.77 3cf5 h ASP 85 N 0.00 0.78 0.00 0.00 2.03 -2.05 -3.46 116.42 113.71 3cf5 h ASP 85 Ca 0.02 -0.47 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3cf5 h ASP 85 Cb 0.20 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 3cf5 h ASP 85 CO -0.00 1.09 0.00 0.61 -1.03 0.00 0.00 179.24 179.91 3cf5 n GLY 86 N 0.16 1.21 3.96 7.15 0.00 0.57 -5.13 105.19 113.11 3cf5 n GLY 86 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3cf5 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cf5 s SER 87 N -1.55 3.38 -0.03 1.61 1.04 -1.24 -4.88 113.70 112.03 3cf5 s SER 87 Ca 0.00 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.35 3cf5 s SER 87 Cb 0.00 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.08 3cf5 s SER 87 CO 0.00 -2.54 0.10 -0.89 0.98 0.00 0.00 173.24 170.89 3cf5 s THR 88 N -3.67 0.02 0.07 2.02 2.01 -1.26 -2.70 115.64 112.13 3cf5 s THR 88 Ca 0.73 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.66 3cf5 s THR 88 Cb -0.03 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 3cf5 s THR 88 CO 0.51 -0.07 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.57 3cf5 s ILE 89 N -0.19 1.32 -0.30 1.82 1.01 -0.89 -5.00 121.20 118.96 3cf5 s ILE 89 Ca -0.03 -1.31 -0.13 0.00 0.00 0.00 0.00 60.65 59.18 3cf5 s ILE 89 Cb -0.02 -1.22 0.14 0.00 0.01 0.00 0.00 42.46 41.37 3cf5 s ILE 89 CO 0.00 -0.11 0.83 0.00 0.00 0.00 0.00 174.94 175.67 3cf5 s ARG 90 N -1.65 0.45 0.04 2.79 1.70 -1.26 -1.83 118.95 119.19 3cf5 s ARG 90 Ca 0.02 1.04 -0.08 0.00 -0.47 0.00 0.00 55.73 56.23 3cf5 s ARG 90 Cb -0.10 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 3cf5 s ARG 90 CO 0.03 -0.14 0.33 -0.06 -1.08 0.00 0.00 175.30 174.38 3cf5 s PHE 91 N 2.40 3.58 0.44 5.89 0.40 -1.21 -5.00 117.98 124.48 3cf5 s PHE 91 Ca -0.05 0.68 0.26 0.00 -0.60 0.00 0.00 56.93 57.22 3cf5 s PHE 91 Cb -0.08 -2.08 1.29 0.00 0.51 0.00 0.00 43.02 42.66 3cf5 s PHE 91 CO -0.18 0.57 1.74 -0.44 0.70 0.00 0.00 175.22 177.60 3cf5 h ASP 92 N 3.86 0.30 -4.78 1.36 5.19 -1.91 -3.29 116.42 117.14 3cf5 h ASP 92 Ca -0.50 0.08 -0.20 0.00 -0.62 0.00 0.00 57.03 55.80 3cf5 h ASP 92 Cb 1.20 0.04 -0.15 0.00 0.18 0.00 0.00 39.33 40.59 3cf5 h ASP 92 CO 0.66 0.00 -0.69 -0.13 -3.12 0.00 0.00 179.24 175.96 3cf5 s ARG 93 N -5.32 0.76 -0.03 3.56 0.52 -1.26 -4.84 118.95 112.34 3cf5 s ARG 93 Ca -0.08 -1.28 -0.22 0.00 -0.52 0.00 0.00 55.73 53.63 3cf5 s ARG 93 Cb 0.26 -0.09 -0.05 0.00 0.52 0.00 0.00 34.95 35.59 3cf5 s ARG 93 CO 0.81 -0.04 0.65 -0.80 0.02 0.00 0.00 175.30 175.94 3cf5 s ASN 94 N -2.96 6.99 0.01 0.23 0.01 -1.21 -4.15 114.94 113.87 3cf5 s ASN 94 Ca 0.10 1.19 -0.05 0.00 -0.71 0.00 0.00 52.86 53.39 3cf5 s ASN 94 Cb 0.05 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 3cf5 s ASN 94 CO -0.06 -0.00 0.08 0.00 -1.51 0.00 0.00 177.10 175.61 3cf5 s ALA 95 N 0.27 -0.17 0.40 0.60 0.00 0.18 -0.88 121.76 122.15 3cf5 s ALA 95 Ca 0.34 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.04 3cf5 s ALA 95 Cb -0.18 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3cf5 s ALA 95 CO 0.18 -0.19 0.09 0.00 0.00 0.00 0.00 175.76 175.84 3cf5 n ALA 96 N 1.53 0.47 -3.77 0.00 0.00 0.52 -1.50 120.51 117.77 3cf5 n ALA 96 Ca -0.23 -1.93 -0.30 0.00 0.00 0.00 0.00 53.44 50.99 3cf5 n ALA 96 Cb 0.55 1.21 -0.15 0.00 0.00 0.00 0.00 19.45 21.06 3cf5 n ALA 96 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cf5 s VAL 97 N -2.83 1.02 0.23 0.00 1.01 -1.06 0.21 120.40 118.99 3cf5 s VAL 97 Ca 0.12 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 3cf5 s VAL 97 Cb 0.01 -1.75 -0.15 0.00 0.00 0.00 0.00 36.38 34.49 3cf5 s VAL 97 CO 0.09 -0.63 1.09 -0.38 0.00 0.00 0.00 175.10 175.26 3cf5 n ILE 98 N 4.79 1.47 -4.12 2.22 5.41 -1.26 -2.54 119.36 125.33 3cf5 n ILE 98 Ca -0.02 -0.37 -0.08 0.00 1.00 0.00 0.00 62.75 63.28 3cf5 n ILE 98 Cb 0.42 -0.94 -0.03 0.00 -0.71 0.00 0.00 39.64 38.38 3cf5 n ILE 98 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3cf5 n ILE 99 N 0.86 0.00 -4.65 1.39 -5.35 0.21 -1.92 119.36 109.90 3cf5 n ILE 99 Ca 0.12 -1.01 -0.29 0.00 -0.27 0.00 0.00 62.75 61.30 3cf5 n ILE 99 Cb 0.29 0.50 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 3cf5 n ILE 99 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3cf5 s ASN 100 N -1.97 3.94 0.00 7.28 2.20 -0.96 -4.45 114.94 120.99 3cf5 s ASN 100 Ca 0.16 -1.43 0.00 0.00 -0.94 0.00 0.00 52.86 50.65 3cf5 s ASN 100 Cb 0.01 -0.18 0.00 0.00 -2.00 0.00 0.00 41.25 39.07 3cf5 s ASN 100 CO 0.12 -0.55 0.03 0.59 -2.94 0.00 0.00 177.10 174.35 3cf5 n ASN 101 N -1.04 0.00 -0.00 3.54 3.02 -1.26 0.24 115.26 119.76 3cf5 n ASN 101 Ca -0.08 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.48 3cf5 n ASN 101 Cb 0.67 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.82 3cf5 n ASN 101 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cf5 n GLN 102 N -0.50 5.86 -1.26 3.52 1.13 -1.26 -3.33 117.38 121.54 3cf5 n GLN 102 Ca 0.00 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3cf5 n GLN 102 Cb 0.00 -0.65 0.00 0.00 0.11 0.00 0.00 30.24 29.70 3cf5 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cf5 n GLY 103 N 1.04 0.56 3.80 1.08 0.00 0.67 -4.76 105.19 107.58 3cf5 n GLY 103 Ca 0.01 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 3cf5 n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cf5 s GLU 104 N -2.61 3.70 -0.15 1.61 2.02 -1.24 -4.76 118.70 117.27 3cf5 s GLU 104 Ca 0.00 -0.20 -0.35 0.00 0.02 0.00 0.00 54.97 54.44 3cf5 s GLU 104 Cb 0.00 -3.24 -0.12 0.00 0.10 0.00 0.00 34.13 30.87 3cf5 s GLU 104 CO 0.00 0.57 1.91 -0.35 0.02 0.00 0.00 175.26 177.41 3cf5 n PRO 105 N 2.63 1.91 0.20 0.39 -0.04 -1.26 -2.27 135.00 136.56 3cf5 n PRO 105 Ca -0.18 0.68 0.18 0.00 -0.04 0.00 0.00 63.50 64.14 3cf5 n PRO 105 Cb 0.54 -2.57 0.82 0.00 -0.04 0.00 0.00 33.50 32.25 3cf5 n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cf5 h ARG 106 N 9.48 0.00 -7.32 0.54 3.08 -1.67 -3.42 114.38 115.06 3cf5 h ARG 106 Ca -0.46 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.13 3cf5 h ARG 106 Cb 1.28 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.43 3cf5 h ARG 106 CO 0.96 0.00 0.21 0.20 -1.07 0.00 0.00 179.97 180.27 3cf5 s GLY 107 N -3.93 1.75 0.00 0.04 0.00 -1.26 -4.79 107.32 99.13 3cf5 s GLY 107 Ca -0.04 -1.31 0.20 0.00 0.00 0.00 0.00 44.72 43.57 3cf5 s GLY 107 CO 0.48 -0.77 1.46 -1.30 0.00 0.00 0.00 173.10 172.98 3cf5 n THR 108 N -3.05 0.37 0.00 0.90 -2.24 -1.26 -4.94 114.28 104.06 3cf5 n THR 108 Ca 0.12 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3cf5 n THR 108 Cb 0.60 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3cf5 n THR 108 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3cf5 n ARG 109 N 0.76 0.00 -3.18 -0.78 1.85 -1.26 -5.04 116.66 109.00 3cf5 n ARG 109 Ca 0.17 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.76 3cf5 n ARG 109 Cb 0.42 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.82 3cf5 n ARG 109 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3cf5 s VAL 110 N -2.00 5.04 -0.10 8.89 1.01 -1.19 -3.18 120.40 128.87 3cf5 s VAL 110 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3cf5 s VAL 110 Cb 0.00 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.57 3cf5 s VAL 110 CO 0.00 -0.59 -0.03 -0.36 0.00 0.00 0.00 175.10 174.12 3cf5 s PHE 111 N -2.38 1.06 0.00 5.22 0.40 0.37 -4.64 117.98 118.01 3cf5 s PHE 111 Ca 0.43 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 3cf5 s PHE 111 Cb -0.10 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.42 3cf5 s PHE 111 CO 0.37 -0.44 0.00 0.41 0.70 0.00 0.00 175.22 176.26 3cf5 n GLY 112 N 5.05 1.53 3.58 4.36 0.00 -1.26 -4.70 105.19 113.74 3cf5 n GLY 112 Ca -0.09 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 3cf5 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cf5 s PRO 113 N -2.71 -0.41 0.03 1.61 0.04 -1.26 -4.21 135.00 128.09 3cf5 s PRO 113 Ca 0.00 0.56 -0.00 0.00 0.04 0.00 0.00 61.00 61.60 3cf5 s PRO 113 Cb 0.00 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 3cf5 s PRO 113 CO 0.00 -3.31 -0.03 0.14 0.04 0.00 0.00 177.00 173.84 3cf5 s VAL 114 N -2.75 0.16 0.07 -0.36 -7.23 -1.00 -4.88 120.40 104.41 3cf5 s VAL 114 Ca 0.67 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.30 3cf5 s VAL 114 Cb -0.21 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 3cf5 s VAL 114 CO 0.60 -0.67 1.87 0.00 -0.31 0.00 0.00 175.10 176.59 3cf5 s ALA 115 N -2.33 3.67 0.44 1.32 0.00 -0.56 -3.37 121.76 120.93 3cf5 s ALA 115 Ca -0.08 1.35 0.30 0.00 0.00 0.00 0.00 51.96 53.53 3cf5 s ALA 115 Cb -0.04 -3.79 1.62 0.00 0.00 0.00 0.00 23.12 20.91 3cf5 s ALA 115 CO -0.04 -1.38 1.90 -0.09 0.00 0.00 0.00 175.76 176.14 3cf5 h ARG 116 N 9.54 0.00 -0.82 0.00 2.43 -1.81 0.14 114.38 123.85 3cf5 h ARG 116 Ca -0.47 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.77 3cf5 h ARG 116 Cb 1.22 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.71 3cf5 h ARG 116 CO 0.94 0.00 0.50 1.49 -1.51 0.00 0.00 179.97 181.39 3cf5 h GLU 117 N 0.00 0.87 -0.20 0.20 4.81 -1.94 0.10 114.58 118.42 3cf5 h GLU 117 Ca 0.00 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3cf5 h GLU 117 Cb 0.40 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3cf5 h GLU 117 CO 0.00 0.58 0.38 -0.07 -0.73 0.00 0.00 179.01 179.17 3cf5 h LEU 118 N 0.90 0.00 -0.13 1.64 4.07 -1.03 -1.24 115.31 119.51 3cf5 h LEU 118 Ca 0.37 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.23 3cf5 h LEU 118 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 3cf5 h LEU 118 CO -0.19 0.00 -0.29 -0.09 -1.08 0.00 0.00 178.44 176.79 3cf5 h ARG 119 N 0.00 0.43 0.00 1.13 2.43 -0.94 -2.28 114.38 115.14 3cf5 h ARG 119 Ca 0.09 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 3cf5 h ARG 119 Cb 0.86 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 3cf5 h ARG 119 CO -0.00 0.89 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.62 3cf5 h ASP 120 N 0.02 0.00 0.00 -3.80 3.32 -1.33 -1.06 116.42 113.58 3cf5 h ASP 120 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cf5 h ASP 120 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3cf5 h ASP 120 CO 0.06 0.29 0.00 0.54 -1.72 0.00 0.00 179.24 178.42 3cf5 n ARG 121 N -3.57 0.54 -1.00 3.56 5.12 -0.82 -4.84 116.66 115.65 3cf5 n ARG 121 Ca -0.01 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3cf5 n ARG 121 Cb 0.43 -1.46 -0.00 0.00 -1.16 0.00 0.00 32.46 30.27 3cf5 n ARG 121 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3cf5 n ARG 122 N -0.96 -1.51 -1.11 5.56 5.12 -0.40 -4.86 116.66 118.49 3cf5 n ARG 122 Ca 0.12 0.39 -0.29 0.00 -1.93 0.00 0.00 57.85 56.13 3cf5 n ARG 122 Cb 0.06 -4.53 -0.06 0.00 -1.16 0.00 0.00 32.46 26.77 3cf5 n ARG 122 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3cf5 n PHE 123 N -2.24 1.65 -0.15 -1.55 3.01 -0.87 -4.76 117.46 112.54 3cf5 n PHE 123 Ca -0.00 -2.48 -0.07 0.00 1.01 0.00 0.00 57.45 55.91 3cf5 n PHE 123 Cb 0.38 -2.11 -0.01 0.00 -0.01 0.00 0.00 39.48 37.73 3cf5 n PHE 123 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 3cf5 h MET 124 N 4.81 -0.22 -0.43 -1.08 2.86 -1.88 -2.77 114.93 116.22 3cf5 h MET 124 Ca 0.64 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 58.32 3cf5 h MET 124 Cb 0.52 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 3cf5 h MET 124 CO 1.36 -0.15 0.24 0.87 1.06 0.00 0.00 176.91 180.29 3cf5 h LYS 125 N -0.23 0.47 -0.05 1.72 1.57 -1.92 0.01 116.57 118.13 3cf5 h LYS 125 Ca 0.19 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3cf5 h LYS 125 Cb 0.55 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 3cf5 h LYS 125 CO -0.59 0.31 -0.46 0.82 -0.57 0.00 0.00 179.45 178.96 3cf5 h ILE 126 N 0.49 0.10 -0.92 1.86 1.08 -1.82 0.50 117.51 118.80 3cf5 h ILE 126 Ca 0.17 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.90 3cf5 h ILE 126 Cb 0.03 0.10 -0.14 0.00 -3.07 0.00 0.00 36.82 33.74 3cf5 h ILE 126 CO -0.09 0.00 0.32 0.58 -0.69 0.00 0.00 178.15 178.27 3cf5 h VAL 127 N -0.58 0.30 0.00 1.67 2.07 -1.18 0.16 116.25 118.69 3cf5 h VAL 127 Ca 0.05 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3cf5 h VAL 127 Cb 0.67 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3cf5 h VAL 127 CO -0.36 0.04 0.02 -1.20 0.02 0.00 0.00 177.57 176.09 3cf5 n SER 128 N -5.18 0.53 -0.37 0.57 7.64 0.17 -0.21 113.62 116.77 3cf5 n SER 128 Ca 0.24 0.74 0.04 0.00 1.01 0.00 0.00 58.87 60.91 3cf5 n SER 128 Cb 0.77 -0.81 0.05 0.00 -1.01 0.00 0.00 64.21 63.22 3cf5 n SER 128 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3cf5 n LEU 129 N -2.23 1.94 -4.68 -3.43 4.77 0.53 -4.96 117.00 108.94 3cf5 n LEU 129 Ca -0.01 -1.25 -0.42 0.00 -0.03 0.00 0.00 56.01 54.29 3cf5 n LEU 129 Cb 0.05 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3cf5 n LEU 129 CO 0.09 0.42 1.03 0.00 -1.33 0.00 0.00 177.39 177.60 3cf5 s ALA 130 N -0.77 3.55 -0.20 -1.18 0.00 0.70 -3.16 121.76 120.71 3cf5 s ALA 130 Ca 0.12 0.65 0.26 0.00 0.00 0.00 0.00 51.96 52.98 3cf5 s ALA 130 Cb 0.07 -3.56 1.24 0.00 0.00 0.00 0.00 23.12 20.87 3cf5 s ALA 130 CO 0.11 -0.90 1.77 -1.35 0.00 0.00 0.00 175.76 175.39 3cf5 h PRO 131 N 7.76 0.00 -2.09 0.00 0.11 -1.82 -3.44 132.00 132.51 3cf5 h PRO 131 Ca -0.33 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.94 3cf5 h PRO 131 Cb 1.15 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 3cf5 h PRO 131 CO 0.91 0.00 0.57 -2.00 -0.21 0.00 0.00 178.00 177.27 3cf5 s GLU 132 N -3.53 0.77 -0.42 1.05 2.56 -1.26 -4.97 118.70 112.90 3cf5 s GLU 132 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 54.97 54.71 3cf5 s GLU 132 Cb 0.08 0.32 0.23 0.00 2.00 0.00 0.00 34.13 36.77 3cf5 s GLU 132 CO 0.32 -0.34 0.57 0.28 -0.56 0.00 0.00 175.26 175.52 3cf5 n VAL 133 N -0.28 -0.62 0.00 3.70 0.31 -1.26 -2.38 118.33 117.80 3cf5 n VAL 133 Ca -0.07 -3.36 0.00 0.00 -0.01 0.00 0.00 64.34 60.91 3cf5 n VAL 133 Cb 0.61 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 3cf5 n VAL 133 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69