#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n08 n ASN -1 N 0.00 1.33 -3.83 4.04 4.13 -1.26 -4.90 115.26 114.76 3n08 n ASN -1 Ca 0.00 -1.48 -0.12 0.00 1.68 0.00 0.00 54.58 54.67 3n08 n ASN -1 Cb 0.00 -0.02 -0.10 0.00 -1.54 0.00 0.00 39.78 38.12 3n08 n ASN -1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3n08 s ALA 0 N -1.97 -0.45 0.43 5.41 0.00 -1.26 -5.12 121.76 118.80 3n08 s ALA 0 Ca 0.38 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 3n08 s ALA 0 Cb 0.20 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.20 3n08 s ALA 0 CO 0.32 -0.18 1.37 -0.12 0.00 0.00 0.00 175.76 177.15 3n08 n MET 1 N 1.87 2.15 -4.55 0.00 1.56 -1.19 -4.75 117.12 112.21 3n08 n MET 1 Ca -0.20 0.77 -0.28 0.00 -0.27 0.00 0.00 57.70 57.72 3n08 n MET 1 Cb 0.56 -2.52 -0.14 0.00 2.15 0.00 0.00 33.22 33.28 3n08 n MET 1 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3n08 s GLN 2 N -2.29 1.46 -0.14 2.12 -0.21 0.22 -4.65 119.66 116.17 3n08 s GLN 2 Ca 0.60 -1.19 -0.01 0.00 0.02 0.00 0.00 55.36 54.78 3n08 s GLN 2 Cb -0.48 -1.78 0.04 0.00 1.00 0.00 0.00 33.01 31.79 3n08 s GLN 2 CO 0.58 0.44 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.98 3n08 s LEU 3 N -1.68 1.26 0.27 2.90 2.96 -1.26 -1.67 118.68 121.46 3n08 s LEU 3 Ca 0.11 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 3n08 s LEU 3 Cb -0.10 -0.78 -0.05 0.00 0.50 0.00 0.00 46.19 45.76 3n08 s LEU 3 CO 0.04 -0.18 0.12 0.42 -1.32 0.00 0.00 176.35 175.43 3n08 s THR 4 N 1.73 0.43 -0.01 3.68 -4.23 -0.52 -4.41 115.64 112.31 3n08 s THR 4 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3n08 s THR 4 Cb -0.14 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.13 3n08 s THR 4 CO -0.07 0.00 0.00 -0.55 -0.54 0.00 0.00 174.62 173.46 3n08 s SER 5 N -3.32 0.19 0.45 3.99 0.15 -1.26 -0.29 113.70 113.61 3n08 s SER 5 Ca 0.37 -0.01 0.31 0.00 0.70 0.00 0.00 55.95 57.33 3n08 s SER 5 Cb 0.07 -0.08 1.50 0.00 -1.71 0.00 0.00 66.02 65.80 3n08 s SER 5 CO 0.15 -0.05 1.93 1.56 1.20 0.00 0.00 173.24 178.02 3n08 h GLN 6 N 6.73 0.00 0.00 5.44 4.20 -1.96 -3.11 115.11 126.41 3n08 h GLN 6 Ca -0.35 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.30 3n08 h GLN 6 Cb 1.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 3n08 h GLN 6 CO 0.49 0.00 -0.91 0.00 -0.67 0.00 0.00 178.83 177.74 3n08 h ALA 7 N 2.06 0.63 -1.67 3.87 0.00 -1.95 -3.47 119.26 118.73 3n08 h ALA 7 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3n08 h ALA 7 Cb 0.20 0.06 -0.23 0.00 0.00 0.00 0.00 17.79 17.82 3n08 h ALA 7 CO 0.00 0.28 0.43 -0.59 0.00 0.00 0.00 179.25 179.37 3n08 s PHE 8 N -3.20 -0.48 0.49 0.00 -0.71 -1.18 -4.54 117.98 108.37 3n08 s PHE 8 Ca 0.00 0.99 0.06 0.00 -1.04 0.00 0.00 56.93 56.94 3n08 s PHE 8 Cb 0.08 0.40 0.03 0.00 -1.21 0.00 0.00 43.02 42.32 3n08 s PHE 8 CO 0.77 -0.34 0.68 -1.54 -1.34 0.00 0.00 175.22 173.45 3n08 s SER 9 N -0.51 5.41 0.02 1.98 1.04 -1.26 -4.12 113.70 116.25 3n08 s SER 9 Ca -0.01 -0.34 -0.34 0.00 0.48 0.00 0.00 55.95 55.74 3n08 s SER 9 Cb -0.02 -0.58 -0.13 0.00 0.10 0.00 0.00 66.02 65.38 3n08 s SER 9 CO -0.00 -1.00 1.73 0.00 0.98 0.00 0.00 173.24 174.95 3n08 n TYR 10 N -2.10 2.27 -0.95 5.02 4.19 -1.26 -1.30 117.16 123.03 3n08 n TYR 10 Ca 0.09 0.15 0.00 0.00 3.31 0.00 0.00 57.90 61.45 3n08 n TYR 10 Cb 0.60 -2.60 0.00 0.00 0.49 0.00 0.00 39.34 37.83 3n08 n TYR 10 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3n08 n GLY 11 N 3.90 0.76 4.00 2.98 0.00 0.26 -4.99 105.19 112.11 3n08 n GLY 11 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 3n08 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n08 s ARG 12 N -0.05 3.02 0.21 1.61 1.81 -0.42 -4.63 118.95 120.50 3n08 s ARG 12 Ca 0.00 -1.09 -0.30 0.00 -1.72 0.00 0.00 55.73 52.61 3n08 s ARG 12 Cb 0.00 -2.80 -0.09 0.00 -0.45 0.00 0.00 34.95 31.61 3n08 s ARG 12 CO 0.00 -0.05 1.40 -2.14 -0.68 0.00 0.00 175.30 173.83 3n08 s PRO 13 N -4.23 4.31 0.08 3.54 0.02 -1.26 -1.21 135.00 136.24 3n08 s PRO 13 Ca 0.48 2.20 -0.31 0.00 0.02 0.00 0.00 61.00 63.39 3n08 s PRO 13 Cb -0.10 -3.16 -0.06 0.00 0.02 0.00 0.00 34.50 31.20 3n08 s PRO 13 CO 0.32 -0.38 1.25 0.42 -0.33 0.00 0.00 177.00 178.27 3n08 s ILE 14 N 0.26 3.83 0.62 2.83 1.01 0.45 -4.78 121.20 125.43 3n08 s ILE 14 Ca 0.60 1.32 -0.18 0.00 0.00 0.00 0.00 60.65 62.39 3n08 s ILE 14 Cb -0.40 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3n08 s ILE 14 CO 0.39 0.11 1.07 -2.65 0.00 0.00 0.00 174.94 173.86 3n08 n PRO 15 N 3.90 0.97 -0.18 2.79 -0.02 -1.26 -4.86 135.00 136.33 3n08 n PRO 15 Ca 0.09 0.38 0.19 0.00 -2.02 0.00 0.00 63.50 62.14 3n08 n PRO 15 Cb 0.45 -2.29 0.56 0.00 -0.02 0.00 0.00 33.50 32.20 3n08 n PRO 15 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3n08 h LYS 16 N 0.50 0.29 -0.51 -0.52 3.64 -1.96 -1.99 116.57 116.03 3n08 h LYS 16 Ca -0.49 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.02 3n08 h LYS 16 Cb 1.36 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 3n08 h LYS 16 CO 0.51 0.19 0.40 -0.22 -2.27 0.00 0.00 179.45 178.07 3n08 h LYS 17 N 0.30 0.00 -0.18 1.90 3.64 -1.92 -0.57 116.57 119.75 3n08 h LYS 17 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3n08 h LYS 17 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3n08 h LYS 17 CO -0.11 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.73 3n08 n TYR 18 N -4.20 0.21 -3.42 1.91 4.01 -0.75 -1.03 117.16 113.89 3n08 n TYR 18 Ca 0.09 -0.11 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 3n08 n TYR 18 Cb 0.61 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.66 3n08 n TYR 18 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3n08 s SER 19 N -1.76 4.96 0.38 7.72 1.04 -0.24 -4.13 113.70 121.66 3n08 s SER 19 Ca 0.34 -0.95 0.28 0.00 0.48 0.00 0.00 55.95 56.09 3n08 s SER 19 Cb 0.21 0.16 1.25 0.00 0.10 0.00 0.00 66.02 67.74 3n08 s SER 19 CO 0.31 -1.12 1.83 0.00 0.98 0.00 0.00 173.24 175.23 3n08 n GLN 21 N -2.52 0.02 0.00 0.00 6.02 -1.26 -4.85 117.38 114.79 3n08 n GLN 21 Ca 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3n08 n GLN 21 Cb 0.19 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.93 3n08 n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3n08 n GLY 22 N 1.49 5.21 0.27 1.08 0.00 -0.86 -4.94 105.19 107.43 3n08 n GLY 22 Ca 0.07 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.40 3n08 n GLY 22 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3n08 h VAL 23 N 0.00 0.27 -0.44 1.61 -1.51 -1.73 -3.46 116.25 110.98 3n08 h VAL 23 Ca 0.00 -0.59 -0.07 0.00 -1.23 0.00 0.00 66.70 64.81 3n08 h VAL 23 Cb 0.00 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 3n08 h VAL 23 CO 0.00 0.08 -0.09 0.61 -1.23 0.00 0.00 177.57 176.94 3n08 n GLY 24 N -0.27 0.30 3.90 5.19 0.00 -0.20 -5.00 105.19 109.12 3n08 n GLY 24 Ca -0.01 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 3n08 n GLY 24 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3n08 s ILE 25 N -2.17 4.40 0.36 -0.61 -4.36 -1.20 -4.58 121.20 113.04 3n08 s ILE 25 Ca 0.00 0.31 -0.28 0.00 -0.26 0.00 0.00 60.65 60.42 3n08 s ILE 25 Cb 0.00 -3.72 -0.10 0.00 1.25 0.00 0.00 42.46 39.89 3n08 s ILE 25 CO 0.00 -0.79 1.35 -0.94 0.24 0.00 0.00 174.94 174.80 3n08 s SER 26 N -4.20 6.57 0.60 4.36 1.04 -1.26 -4.38 113.70 116.43 3n08 s SER 26 Ca 0.52 2.77 -0.15 0.00 0.48 0.00 0.00 55.95 59.57 3n08 s SER 26 Cb -0.11 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 3n08 s SER 26 CO 0.47 -0.68 1.05 -2.16 0.98 0.00 0.00 173.24 172.90 3n08 s PRO 27 N -1.96 3.36 0.30 4.02 0.04 -1.26 -1.07 135.00 138.43 3n08 s PRO 27 Ca 0.51 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 3n08 s PRO 27 Cb -0.41 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 3n08 s PRO 27 CO 0.55 -0.77 1.32 -1.25 0.04 0.00 0.00 177.00 176.89 3n08 s PRO 28 N -4.27 4.35 0.03 0.56 0.04 -1.26 -4.59 135.00 129.86 3n08 s PRO 28 Ca 0.62 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.88 3n08 s PRO 28 Cb -0.15 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 3n08 s PRO 28 CO 0.40 -0.22 -0.06 -0.51 0.04 0.00 0.00 177.00 176.65 3n08 s LEU 29 N -1.39 2.18 -0.06 -3.56 1.43 -0.36 -4.39 118.68 112.54 3n08 s LEU 29 Ca 0.51 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3n08 s LEU 29 Cb -0.40 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 45.70 3n08 s LEU 29 CO 0.50 -0.15 -0.17 -0.44 0.23 0.00 0.00 176.35 176.32 3n08 s SER 30 N -1.15 2.17 -0.14 2.29 0.01 0.61 -0.28 113.70 117.21 3n08 s SER 30 Ca -0.08 -0.36 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 3n08 s SER 30 Cb -0.08 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.37 3n08 s SER 30 CO -0.00 0.12 -0.01 -0.36 0.41 0.00 0.00 173.24 173.40 3n08 s PHE 31 N 0.23 3.09 0.17 2.43 0.40 -0.52 -1.43 117.98 122.34 3n08 s PHE 31 Ca -0.08 -0.12 -0.09 0.00 -0.60 0.00 0.00 56.93 56.04 3n08 s PHE 31 Cb -0.13 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 3n08 s PHE 31 CO 0.03 0.11 0.29 -1.54 0.70 0.00 0.00 175.22 174.82 3n08 s SER 32 N 0.07 0.04 -1.47 1.36 1.04 -0.67 -4.43 113.70 109.64 3n08 s SER 32 Ca 0.01 -0.88 -0.08 0.00 0.48 0.00 0.00 55.95 55.48 3n08 s SER 32 Cb -0.13 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.46 3n08 s SER 32 CO 0.02 -0.90 0.82 0.47 0.98 0.00 0.00 173.24 174.62 3n08 n ASP 33 N -0.22 -5.71 -4.72 7.02 8.00 -1.26 -0.61 116.55 119.04 3n08 n ASP 33 Ca -0.07 -0.45 -0.42 0.00 0.71 0.00 0.00 54.79 54.57 3n08 n ASP 33 Cb 0.63 -4.58 -0.03 0.00 -0.02 0.00 0.00 41.12 37.12 3n08 n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n08 s VAL 34 N -3.21 3.61 0.38 2.53 1.01 -1.26 -3.15 120.40 120.32 3n08 s VAL 34 Ca 0.45 1.23 -0.27 0.00 0.00 0.00 0.00 61.98 63.40 3n08 s VAL 34 Cb -0.21 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 3n08 s VAL 34 CO 0.56 0.14 1.23 -2.65 0.00 0.00 0.00 175.10 174.37 3n08 n PRO 35 N 3.36 1.90 0.26 2.72 -0.02 -1.26 -4.86 135.00 137.10 3n08 n PRO 35 Ca 0.08 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.32 3n08 n PRO 35 Cb 0.44 -2.28 0.67 0.00 -0.02 0.00 0.00 33.50 32.31 3n08 n PRO 35 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3n08 h ARG 36 N 2.21 0.00 0.00 -0.52 2.43 -2.00 -1.55 114.38 114.95 3n08 h ARG 36 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3n08 h ARG 36 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3n08 h ARG 36 CO 0.61 0.03 0.00 0.39 -1.51 0.00 0.00 179.97 179.49 3n08 n GLU 37 N -4.36 0.08 -1.88 0.20 -0.58 -1.26 -4.82 120.64 108.01 3n08 n GLU 37 Ca -0.03 0.21 -0.42 0.00 -0.42 0.00 0.00 57.16 56.51 3n08 n GLU 37 Cb 0.12 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 29.34 3n08 n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3n08 s ALA 38 N -3.08 3.72 -0.46 0.62 0.00 -0.59 -4.57 121.76 117.40 3n08 s ALA 38 Ca 0.09 1.46 0.16 0.00 0.00 0.00 0.00 51.96 53.67 3n08 s ALA 38 Cb 0.13 -3.61 -0.21 0.00 0.00 0.00 0.00 23.12 19.42 3n08 s ALA 38 CO 0.42 -0.86 0.56 1.63 0.00 0.00 0.00 175.76 177.50 3n08 n LYS 39 N 2.56 1.18 -3.61 0.00 5.02 0.94 -4.83 118.16 119.42 3n08 n LYS 39 Ca 0.09 -0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 3n08 n LYS 39 Cb 0.38 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 3n08 n LYS 39 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3n08 s SER 40 N -3.10 -0.43 0.14 4.39 1.04 -1.14 -4.44 113.70 110.15 3n08 s SER 40 Ca 0.01 -0.26 0.10 0.00 0.48 0.00 0.00 55.95 56.28 3n08 s SER 40 Cb 0.12 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 3n08 s SER 40 CO 0.68 -1.13 -0.23 -0.76 0.98 0.00 0.00 173.24 172.78 3n08 s LEU 41 N -2.82 2.36 -0.00 2.42 1.43 -0.12 -1.17 118.68 120.77 3n08 s LEU 41 Ca 0.05 -0.77 0.06 0.00 -1.03 0.00 0.00 54.13 52.44 3n08 s LEU 41 Cb -0.03 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 3n08 s LEU 41 CO -0.05 0.09 -0.18 -0.69 0.23 0.00 0.00 176.35 175.76 3n08 s VAL 42 N -1.39 1.41 -0.08 -1.59 1.01 -0.10 -1.62 120.40 118.04 3n08 s VAL 42 Ca 0.13 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3n08 s VAL 42 Cb -0.09 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.11 3n08 s VAL 42 CO 0.06 0.33 -0.16 -0.22 0.00 0.00 0.00 175.10 175.12 3n08 s LEU 43 N -0.59 1.78 -0.08 3.92 2.96 0.50 -1.02 118.68 126.15 3n08 s LEU 43 Ca 0.06 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3n08 s LEU 43 Cb -0.07 -1.03 0.02 0.00 0.50 0.00 0.00 46.19 45.60 3n08 s LEU 43 CO -0.00 0.07 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.34 3n08 s ILE 44 N 0.63 1.21 -0.11 6.68 1.01 -0.29 -1.10 121.20 129.23 3n08 s ILE 44 Ca -0.15 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.04 3n08 s ILE 44 Cb -0.16 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.18 3n08 s ILE 44 CO 0.04 0.38 -0.21 -0.69 0.00 0.00 0.00 174.94 174.46 3n08 s VAL 45 N 0.91 2.31 0.10 2.92 1.01 0.08 -0.59 120.40 127.13 3n08 s VAL 45 Ca -0.10 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 3n08 s VAL 45 Cb -0.15 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3n08 s VAL 45 CO 0.01 0.55 0.19 -1.83 0.00 0.00 0.00 175.10 174.02 3n08 s GLU 46 N 0.41 0.88 -0.31 2.72 -1.05 0.04 -0.09 118.70 121.31 3n08 s GLU 46 Ca -0.15 -1.01 0.03 0.00 -0.15 0.00 0.00 54.97 53.68 3n08 s GLU 46 Cb -0.17 0.34 0.09 0.00 -0.44 0.00 0.00 34.13 33.95 3n08 s GLU 46 CO 0.07 -0.28 0.02 0.34 0.95 0.00 0.00 175.26 176.36 3n08 s ASP 47 N -2.88 4.49 0.00 0.83 2.15 0.53 -0.74 116.67 121.04 3n08 s ASP 47 Ca 0.07 -1.84 0.22 0.00 0.43 0.00 0.00 52.55 51.44 3n08 s ASP 47 Cb 0.05 -1.44 1.28 0.00 -0.30 0.00 0.00 42.92 42.51 3n08 s ASP 47 CO -0.09 -0.34 1.83 -0.81 -0.17 0.00 0.00 175.17 175.59 3n08 n PRO 48 N 4.43 1.07 -0.27 4.34 -0.04 -1.26 -1.61 135.00 141.65 3n08 n PRO 48 Ca -0.02 -0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.41 3n08 n PRO 48 Cb 0.42 -1.35 0.20 0.00 -0.04 0.00 0.00 33.50 32.73 3n08 n PRO 48 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3n08 n ASP 49 N -0.74 3.32 -4.74 3.54 8.00 -1.26 -4.71 116.55 119.96 3n08 n ASP 49 Ca 0.17 -2.17 -0.41 0.00 0.71 0.00 0.00 54.79 53.08 3n08 n ASP 49 Cb 0.10 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3n08 n ASP 49 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3n08 n VAL 50 N 0.56 2.22 -1.71 2.53 3.14 -1.23 -4.87 118.33 118.98 3n08 n VAL 50 Ca 0.16 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.61 3n08 n VAL 50 Cb 0.55 -1.77 -0.03 0.00 -1.06 0.00 0.00 33.84 31.53 3n08 n VAL 50 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3n08 n PRO 51 N 0.30 2.78 0.21 1.45 -0.02 -1.26 -4.84 135.00 133.62 3n08 n PRO 51 Ca 0.04 1.00 0.15 0.00 -2.02 0.00 0.00 63.50 62.67 3n08 n PRO 51 Cb 0.39 -2.87 0.66 0.00 -0.02 0.00 0.00 33.50 31.66 3n08 n PRO 51 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3n08 h PRO 52 N 7.52 0.00 0.00 0.52 0.13 -1.90 -1.17 132.00 137.10 3n08 h PRO 52 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3n08 h PRO 52 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3n08 h PRO 52 CO 0.95 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.38 3n08 h SER 53 N 0.00 0.00 0.00 1.44 4.64 -1.96 -2.94 113.55 114.73 3n08 h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n08 h SER 53 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3n08 h SER 53 CO 0.00 0.00 -1.24 1.33 -0.87 0.00 0.00 176.83 176.05 3n08 n VAL 54 N -2.32 0.00 -3.32 0.95 0.24 -0.47 -4.89 118.33 108.52 3n08 n VAL 54 Ca 0.03 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 3n08 n VAL 54 Cb 0.28 0.57 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 3n08 n VAL 54 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3n08 s ARG 55 N -2.80 0.40 0.32 7.34 6.06 -1.06 -5.05 118.95 124.16 3n08 s ARG 55 Ca 0.00 0.14 0.00 0.00 -2.50 0.00 0.00 55.73 53.37 3n08 s ARG 55 Cb 0.11 -0.36 0.53 0.00 0.06 0.00 0.00 34.95 35.28 3n08 s ARG 55 CO 0.66 -0.99 1.97 1.49 -2.50 0.00 0.00 175.30 175.93 3n08 h GLU 56 N 8.18 0.99 0.00 5.12 4.81 -1.86 -0.79 114.58 131.02 3n08 h GLU 56 Ca -0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3n08 h GLU 56 Cb 1.12 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3n08 h GLU 56 CO 0.27 0.65 0.00 -0.40 -0.73 0.00 0.00 179.01 178.81 3n08 n ASP 57 N -4.43 0.00 -1.34 1.04 5.68 -1.26 -4.89 116.55 111.34 3n08 n ASP 57 Ca 0.09 -0.80 -0.15 0.00 -0.50 0.00 0.00 54.79 53.44 3n08 n ASP 57 Cb 0.07 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 39.99 3n08 n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n08 n GLY 58 N 0.65 0.98 2.83 6.12 0.00 -0.30 -4.98 105.19 110.49 3n08 n GLY 58 Ca 0.19 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3n08 n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3n08 s LEU 59 N -3.74 -0.09 -0.21 0.99 2.96 -1.26 -4.19 118.68 113.15 3n08 s LEU 59 Ca 0.00 0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3n08 s LEU 59 Cb 0.00 0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.99 3n08 s LEU 59 CO 0.00 -0.26 -0.03 0.86 -1.32 0.00 0.00 176.35 175.60 3n08 s TRP 60 N 2.31 2.98 -0.22 5.38 -0.11 -0.64 -4.95 118.94 123.69 3n08 s TRP 60 Ca 0.03 -0.71 -0.23 0.00 1.22 0.00 0.00 56.10 56.41 3n08 s TRP 60 Cb -0.13 -2.08 -0.01 0.00 -1.50 0.00 0.00 33.47 29.75 3n08 s TRP 60 CO -0.07 -0.40 0.76 0.42 -4.62 0.00 0.00 176.95 173.04 3n08 s ILE 61 N 1.21 4.90 -0.13 5.86 -1.09 -1.26 -0.35 121.20 130.35 3n08 s ILE 61 Ca 0.03 1.44 0.20 0.00 -2.23 0.00 0.00 60.65 60.09 3n08 s ILE 61 Cb -0.14 -4.06 -0.19 0.00 -1.58 0.00 0.00 42.46 36.49 3n08 s ILE 61 CO -0.00 -0.00 0.66 1.41 -1.23 0.00 0.00 174.94 175.77 3n08 n HIS 62 N 5.62 0.52 -3.64 3.97 8.25 0.87 -1.38 115.22 129.44 3n08 n HIS 62 Ca 0.03 0.16 -0.09 0.00 -0.26 0.00 0.00 57.72 57.56 3n08 n HIS 62 Cb 0.48 -0.85 -0.07 0.00 1.12 0.00 0.00 29.99 30.67 3n08 n HIS 62 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3n08 s TRP 63 N -3.17 -0.72 -0.06 4.41 -0.00 -1.08 -1.41 118.94 116.91 3n08 s TRP 63 Ca -0.05 1.62 0.02 0.00 -0.00 0.00 0.00 56.10 57.69 3n08 s TRP 63 Cb 0.10 0.39 0.01 0.00 -0.00 0.00 0.00 33.47 33.97 3n08 s TRP 63 CO 0.84 -0.35 -0.12 0.42 -0.00 0.00 0.00 176.95 177.74 3n08 s ILE 64 N 0.75 1.10 -0.02 5.86 1.01 -1.26 -0.74 121.20 127.89 3n08 s ILE 64 Ca -0.03 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3n08 s ILE 64 Cb -0.05 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.43 3n08 s ILE 64 CO -0.08 0.35 -0.02 -0.69 0.00 0.00 0.00 174.94 174.49 3n08 s VAL 65 N 0.61 0.31 0.18 2.92 1.01 -0.26 -0.76 120.40 124.41 3n08 s VAL 65 Ca -0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 3n08 s VAL 65 Cb -0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3n08 s VAL 65 CO 0.03 0.15 0.10 -0.72 0.00 0.00 0.00 175.10 174.66 3n08 s TYR 66 N 0.61 1.06 -1.71 5.22 1.13 0.14 -0.37 117.35 123.44 3n08 s TYR 66 Ca -0.07 -1.32 0.00 0.00 -1.41 0.00 0.00 57.07 54.27 3n08 s TYR 66 Cb -0.10 -0.54 0.00 0.00 -1.10 0.00 0.00 41.96 40.22 3n08 s TYR 66 CO -0.01 -0.59 0.00 0.09 -2.51 0.00 0.00 175.55 172.54 3n08 n ASN 67 N -0.21 -5.70 -4.76 -0.18 3.02 -1.03 -1.11 115.26 105.29 3n08 n ASN 67 Ca -0.01 -0.02 -0.38 0.00 -0.03 0.00 0.00 54.58 54.15 3n08 n ASN 67 Cb 0.65 -4.72 0.01 0.00 -0.61 0.00 0.00 39.78 35.11 3n08 n ASN 67 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3n08 s LEU 68 N -5.73 3.98 0.33 3.41 1.43 -0.64 -4.63 118.68 116.83 3n08 s LEU 68 Ca 0.00 2.50 -0.29 0.00 -1.03 0.00 0.00 54.13 55.31 3n08 s LEU 68 Cb 0.00 -4.22 -0.11 0.00 0.03 0.00 0.00 46.19 41.89 3n08 s LEU 68 CO 0.00 -1.14 1.53 -0.24 0.23 0.00 0.00 176.35 176.73 3n08 n SER 69 N -0.62 3.77 0.02 2.29 2.88 -1.26 -0.95 113.62 119.76 3n08 n SER 69 Ca 0.08 1.19 0.09 0.00 -1.33 0.00 0.00 58.87 58.89 3n08 n SER 69 Cb 0.47 -1.60 0.37 0.00 -0.75 0.00 0.00 64.21 62.70 3n08 n SER 69 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3n08 n PRO 70 N 1.30 0.03 -0.60 -1.46 -0.04 -1.26 -1.71 135.00 131.26 3n08 n PRO 70 Ca 0.05 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 3n08 n PRO 70 Cb 0.38 -1.55 0.32 0.00 -0.04 0.00 0.00 33.50 32.61 3n08 n PRO 70 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3n08 n VAL 71 N -1.59 2.24 -0.06 0.52 0.24 -1.26 -4.71 118.33 113.71 3n08 n VAL 71 Ca 0.04 -1.52 0.08 0.00 -2.04 0.00 0.00 64.34 60.90 3n08 n VAL 71 Cb 0.20 -0.12 0.46 0.00 -1.47 0.00 0.00 33.84 32.91 3n08 n VAL 71 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3n08 h VAL 72 N 2.97 0.99 0.00 3.34 3.04 -1.70 -3.45 116.25 121.44 3n08 h VAL 72 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 3n08 h VAL 72 Cb 1.56 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3n08 h VAL 72 CO 0.29 0.09 0.00 -1.54 -1.01 0.00 0.00 177.57 175.40 3n08 n SER 73 N -4.47 0.00 -3.67 3.17 3.41 -1.26 -4.71 113.62 106.09 3n08 n SER 73 Ca 0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.60 3n08 n SER 73 Cb 0.24 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 3n08 n SER 73 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3n08 s ASN 74 N 0.00 -0.70 -0.31 4.04 0.01 -1.26 -1.43 114.94 115.29 3n08 s ASN 74 Ca 0.00 1.19 -0.10 0.00 -0.71 0.00 0.00 52.86 53.24 3n08 s ASN 74 Cb 0.00 1.21 -0.01 0.00 0.41 0.00 0.00 41.25 42.85 3n08 s ASN 74 CO 0.00 -0.22 0.17 -0.76 -1.51 0.00 0.00 177.10 174.78 3n08 s LEU 75 N 1.78 4.16 0.78 0.60 1.43 0.62 -4.99 118.68 123.06 3n08 s LEU 75 Ca -0.08 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 3n08 s LEU 75 Cb -0.08 -2.03 0.06 0.00 0.03 0.00 0.00 46.19 44.17 3n08 s LEU 75 CO -0.16 -0.19 1.09 0.00 0.23 0.00 0.00 176.35 177.32 3n08 s ALA 76 N 1.64 2.25 0.28 4.21 0.00 -1.26 -1.22 121.76 127.66 3n08 s ALA 76 Ca 0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 3n08 s ALA 76 Cb -0.17 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 3n08 s ALA 76 CO 0.07 -1.70 1.62 -1.83 0.00 0.00 0.00 175.76 173.92 3n08 s GLU 77 N -5.06 4.12 -2.01 0.00 -1.05 -1.26 -1.74 118.70 111.70 3n08 s GLU 77 Ca 0.61 2.59 0.00 0.00 -0.15 0.00 0.00 54.97 58.01 3n08 s GLU 77 Cb -0.15 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.51 3n08 s GLU 77 CO 0.55 -0.66 0.00 0.41 0.95 0.00 0.00 175.26 176.51 3n08 n GLY 78 N 2.52 1.80 3.83 -3.83 0.00 -0.23 -4.92 105.19 104.37 3n08 n GLY 78 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3n08 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n08 s ALA 79 N -2.60 2.76 0.32 4.61 0.00 -0.71 -4.92 121.76 121.21 3n08 s ALA 79 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 3n08 s ALA 79 Cb 0.00 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 3n08 s ALA 79 CO 0.00 -1.13 1.41 -1.14 0.00 0.00 0.00 175.76 174.90 3n08 s GLN 80 N -5.10 4.25 -0.36 0.00 0.74 -1.26 -4.98 119.66 112.95 3n08 s GLN 80 Ca 0.58 2.37 -0.10 0.00 0.05 0.00 0.00 55.36 58.25 3n08 s GLN 80 Cb -0.13 -3.05 0.02 0.00 1.10 0.00 0.00 33.01 30.95 3n08 s GLN 80 CO 0.55 -0.37 0.19 0.42 -0.55 0.00 0.00 175.29 175.52 3n08 s ILE 81 N -0.80 4.52 -1.20 -2.34 -1.09 -1.26 -4.98 121.20 114.06 3n08 s ILE 81 Ca 0.53 -0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 58.10 3n08 s ILE 81 Cb -0.43 -3.48 0.22 0.00 -1.58 0.00 0.00 42.46 37.19 3n08 s ILE 81 CO 0.53 -0.16 1.67 0.49 -1.23 0.00 0.00 174.94 176.24 3n08 n PHE 82 N 4.98 3.07 -3.81 3.97 3.72 -1.26 -4.80 117.46 123.33 3n08 n PHE 82 Ca -0.12 -2.85 0.00 0.00 -0.05 0.00 0.00 57.45 54.43 3n08 n PHE 82 Cb 0.47 -1.75 0.01 0.00 -0.94 0.00 0.00 39.48 37.27 3n08 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n08 n ALA 83 N 3.20 -1.37 -2.77 4.37 0.00 -1.26 -4.54 120.51 118.14 3n08 n ALA 83 Ca 0.34 -0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 3n08 n ALA 83 Cb 0.36 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 3n08 n ALA 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3n08 s VAL 84 N -2.19 5.23 -0.14 0.00 1.01 -0.27 -4.96 120.40 119.09 3n08 s VAL 84 Ca 0.12 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 3n08 s VAL 84 Cb -0.01 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3n08 s VAL 84 CO 0.01 0.47 0.14 -1.10 0.00 0.00 0.00 175.10 174.62 3n08 s GLN 85 N 0.15 3.59 0.02 2.72 -0.21 -1.26 -0.68 119.66 123.97 3n08 s GLN 85 Ca 0.08 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.31 3n08 s GLN 85 Cb -0.11 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.66 3n08 s GLN 85 CO -0.01 0.68 0.02 0.41 -2.12 0.00 0.00 175.29 174.28 3n08 n GLY 86 N 2.29 1.89 3.78 3.09 0.00 0.06 -4.58 105.19 111.72 3n08 n GLY 86 Ca -0.19 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.32 3n08 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n08 s LEU 87 N 0.00 4.39 0.91 0.99 1.43 0.24 -2.23 118.68 124.41 3n08 s LEU 87 Ca 0.02 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 3n08 s LEU 87 Cb -0.00 -2.68 0.19 0.00 0.03 0.00 0.00 46.19 43.73 3n08 s LEU 87 CO 0.01 0.17 1.24 0.54 0.23 0.00 0.00 176.35 178.55 3n08 s ASN 88 N -0.32 3.31 0.52 2.29 2.20 0.16 -4.56 114.94 118.54 3n08 s ASN 88 Ca 0.25 -0.03 0.31 0.00 -0.94 0.00 0.00 52.86 52.45 3n08 s ASN 88 Cb -0.16 -0.05 1.09 0.00 -2.00 0.00 0.00 41.25 40.13 3n08 s ASN 88 CO 0.13 -2.58 1.88 0.74 -2.94 0.00 0.00 177.10 174.33 3n08 h THR 89 N -1.37 0.00 0.00 0.54 2.02 -1.54 -0.24 112.91 112.32 3n08 h THR 89 Ca -0.41 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3n08 h THR 89 Cb 1.23 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 3n08 h THR 89 CO 0.35 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.24 3n08 n ALA 90 N -2.09 1.78 -0.69 6.16 0.00 -1.26 -4.87 120.51 119.53 3n08 n ALA 90 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3n08 n ALA 90 Cb 0.37 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3n08 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n08 n GLY 91 N 0.05 0.61 3.59 0.00 0.00 -0.10 -5.06 105.19 104.28 3n08 n GLY 91 Ca 0.06 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 3n08 n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n08 s GLU 92 N -0.90 2.04 0.40 1.61 0.41 -1.26 -4.88 118.70 116.11 3n08 s GLU 92 Ca 0.00 -1.66 -0.24 0.00 -0.41 0.00 0.00 54.97 52.66 3n08 s GLU 92 Cb 0.00 -1.95 -0.09 0.00 -1.78 0.00 0.00 34.13 30.31 3n08 s GLU 92 CO 0.00 0.25 1.07 -1.50 -0.49 0.00 0.00 175.26 174.60 3n08 s ILE 93 N -2.46 3.60 0.00 -1.63 2.07 -1.26 -0.67 121.20 120.85 3n08 s ILE 93 Ca 0.33 1.26 0.00 0.00 -1.41 0.00 0.00 60.65 60.83 3n08 s ILE 93 Cb -0.03 -3.67 0.00 0.00 0.13 0.00 0.00 42.46 38.89 3n08 s ILE 93 CO 0.18 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.86 3n08 n GLY 94 N 0.44 -1.79 3.71 1.50 0.00 -0.95 -4.85 105.19 103.25 3n08 n GLY 94 Ca 0.05 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3n08 n GLY 94 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3n08 s TYR 95 N 0.00 3.64 -0.12 1.61 5.04 -1.26 -4.48 117.35 121.78 3n08 s TYR 95 Ca 0.00 1.67 0.03 0.00 -2.44 0.00 0.00 57.07 56.33 3n08 s TYR 95 Cb 0.00 -3.15 0.01 0.00 0.35 0.00 0.00 41.96 39.17 3n08 s TYR 95 CO 0.00 -0.12 -0.23 0.00 -1.34 0.00 0.00 175.55 173.87 3n08 s PRO 97 N 0.61 3.02 0.20 0.00 0.04 -1.26 -4.79 135.00 132.82 3n08 s PRO 97 Ca -0.12 1.47 -0.32 0.00 0.04 0.00 0.00 61.00 62.07 3n08 s PRO 97 Cb -0.17 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.25 3n08 s PRO 97 CO 0.03 -1.09 1.18 -2.30 0.04 0.00 0.00 177.00 174.86 3n08 n PRO 98 N -1.99 1.33 -2.88 0.56 -0.02 -1.26 -4.62 135.00 126.11 3n08 n PRO 98 Ca 0.11 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3n08 n PRO 98 Cb 0.52 -1.98 0.04 0.00 -0.02 0.00 0.00 33.50 32.06 3n08 n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n08 s PRO 100 N -0.41 4.27 0.16 0.00 0.04 -1.26 -4.91 135.00 132.89 3n08 s PRO 100 Ca 0.29 1.95 0.16 0.00 0.04 0.00 0.00 61.00 63.44 3n08 s PRO 100 Cb 0.28 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 3n08 s PRO 100 CO -0.10 -0.60 1.12 -1.00 0.04 0.00 0.00 177.00 176.46 3n08 h PRO 101 N 7.97 0.00 0.00 0.56 0.13 -1.98 -3.41 132.00 135.27 3n08 h PRO 101 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3n08 h PRO 101 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3n08 h PRO 101 CO 0.91 0.40 -0.76 -0.40 -0.23 0.00 0.00 178.00 177.92 3n08 n ASP 102 N -3.05 2.23 -3.71 1.44 5.75 -1.26 -5.05 116.55 112.90 3n08 n ASP 102 Ca -0.04 -0.28 0.04 0.00 -0.01 0.00 0.00 54.79 54.50 3n08 n ASP 102 Cb 0.79 1.12 0.00 0.00 -1.03 0.00 0.00 41.12 42.00 3n08 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3n08 s ALA 103 N -1.91 -2.53 0.16 2.12 0.00 -1.26 -5.12 121.76 113.21 3n08 s ALA 103 Ca -0.00 0.60 -0.31 0.00 0.00 0.00 0.00 51.96 52.25 3n08 s ALA 103 Cb 0.03 0.52 -0.09 0.00 0.00 0.00 0.00 23.12 23.58 3n08 s ALA 103 CO 0.19 -1.10 1.41 0.21 0.00 0.00 0.00 175.76 176.47 3n08 s LYS 104 N -2.09 4.31 0.21 0.00 2.20 -1.26 -4.72 119.74 118.39 3n08 s LYS 104 Ca 0.21 2.15 0.10 0.00 -0.36 0.00 0.00 55.97 58.07 3n08 s LYS 104 Cb 0.04 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 3n08 s LYS 104 CO -0.05 -0.43 -0.13 -1.01 -0.36 0.00 0.00 175.35 173.38 3n08 s HIS 105 N 0.79 2.52 -0.15 4.03 3.76 -0.17 -4.96 115.29 121.11 3n08 s HIS 105 Ca 0.63 -0.27 -0.11 0.00 -0.15 0.00 0.00 55.06 55.17 3n08 s HIS 105 Cb -0.39 -1.19 -0.05 0.00 1.11 0.00 0.00 32.58 32.06 3n08 s HIS 105 CO 0.33 0.56 0.21 1.03 -0.85 0.00 0.00 174.74 176.02 3n08 s ARG 106 N -3.04 4.00 -0.23 1.40 0.52 -1.26 -1.25 118.95 119.08 3n08 s ARG 106 Ca 0.26 -0.04 -0.01 0.00 -0.52 0.00 0.00 55.73 55.41 3n08 s ARG 106 Cb -0.08 -3.35 0.02 0.00 0.52 0.00 0.00 34.95 32.07 3n08 s ARG 106 CO 0.15 0.44 -0.09 0.71 0.02 0.00 0.00 175.30 176.53 3n08 s TYR 107 N -0.08 3.01 -0.19 -0.53 2.02 0.22 -4.02 117.35 117.79 3n08 s TYR 107 Ca 0.14 -1.53 -0.09 0.00 -0.37 0.00 0.00 57.07 55.22 3n08 s TYR 107 Cb -0.12 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.35 3n08 s TYR 107 CO 0.03 -0.73 0.13 0.71 -1.57 0.00 0.00 175.55 174.12 3n08 s TYR 108 N 1.33 3.43 -0.25 2.71 2.02 0.08 -1.56 117.35 125.10 3n08 s TYR 108 Ca 0.01 0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 57.03 3n08 s TYR 108 Cb -0.16 -2.12 0.02 0.00 -0.40 0.00 0.00 41.96 39.30 3n08 s TYR 108 CO -0.06 0.35 -0.04 -0.06 -1.57 0.00 0.00 175.55 174.17 3n08 s PHE 109 N 0.14 3.06 -0.14 2.71 0.40 0.87 -0.78 117.98 124.24 3n08 s PHE 109 Ca 0.09 -1.41 -0.01 0.00 -0.60 0.00 0.00 56.93 55.00 3n08 s PHE 109 Cb -0.11 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 3n08 s PHE 109 CO -0.01 -0.69 -0.10 0.71 0.70 0.00 0.00 175.22 175.83 3n08 s TYR 110 N 1.37 2.88 -0.01 0.36 2.02 0.24 -0.95 117.35 123.25 3n08 s TYR 110 Ca 0.01 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 3n08 s TYR 110 Cb -0.16 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 3n08 s TYR 110 CO -0.04 -0.18 -0.07 0.00 -1.57 0.00 0.00 175.55 173.69 3n08 s ALA 111 N 0.40 2.99 -0.05 3.71 0.00 -0.20 -1.14 121.76 127.48 3n08 s ALA 111 Ca -0.08 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.90 3n08 s ALA 111 Cb -0.15 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 21.85 3n08 s ALA 111 CO 0.04 0.60 -0.09 0.71 0.00 0.00 0.00 175.76 177.03 3n08 s TYR 112 N -0.95 1.11 -0.18 0.00 1.51 -0.19 -1.21 117.35 117.44 3n08 s TYR 112 Ca 0.16 -0.37 -0.12 0.00 -1.01 0.00 0.00 57.07 55.73 3n08 s TYR 112 Cb -0.11 -0.86 -0.05 0.00 -0.11 0.00 0.00 41.96 40.83 3n08 s TYR 112 CO 0.06 -0.22 0.23 0.00 -1.11 0.00 0.00 175.55 174.51 3n08 s ALA 113 N 0.68 3.62 0.12 3.71 0.00 -0.29 -0.93 121.76 128.68 3n08 s ALA 113 Ca -0.12 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.34 3n08 s ALA 113 Cb -0.14 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 3n08 s ALA 113 CO 0.02 0.07 -0.08 -0.51 0.00 0.00 0.00 175.76 175.26 3n08 s LEU 114 N 0.52 3.09 -0.14 0.00 1.43 -0.32 -0.56 118.68 122.71 3n08 s LEU 114 Ca 0.13 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 3n08 s LEU 114 Cb -0.12 -1.85 0.50 0.00 0.03 0.00 0.00 46.19 44.75 3n08 s LEU 114 CO 0.02 0.16 1.27 -0.90 0.23 0.00 0.00 176.35 177.13 3n08 n ASP 115 N 0.50 3.83 -3.68 2.29 5.68 -0.54 -0.04 116.55 124.59 3n08 n ASP 115 Ca -0.12 -2.54 -0.14 0.00 -0.50 0.00 0.00 54.79 51.49 3n08 n ASP 115 Cb 0.53 -0.60 -0.09 0.00 -1.14 0.00 0.00 41.12 39.83 3n08 n ASP 115 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3n08 s VAL 116 N -2.04 0.00 -0.02 2.12 1.01 -1.26 -4.64 120.40 115.56 3n08 s VAL 116 Ca 0.33 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3n08 s VAL 116 Cb 0.25 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 3n08 s VAL 116 CO 0.10 -0.01 1.04 -0.69 0.00 0.00 0.00 175.10 175.54 3n08 s VAL 117 N 0.11 4.66 0.64 2.92 1.01 -1.26 -4.51 120.40 123.97 3n08 s VAL 117 Ca -0.01 1.91 -0.11 0.00 0.00 0.00 0.00 61.98 63.77 3n08 s VAL 117 Cb -0.04 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3n08 s VAL 117 CO 0.01 0.10 1.04 -0.76 0.00 0.00 0.00 175.10 175.49 3n08 s LEU 118 N 1.37 3.20 0.48 3.92 1.43 -1.26 -5.00 118.68 122.83 3n08 s LEU 118 Ca 0.53 1.49 -0.23 0.00 -1.03 0.00 0.00 54.13 54.88 3n08 s LEU 118 Cb -0.22 -4.48 -0.08 0.00 0.03 0.00 0.00 46.19 41.44 3n08 s LEU 118 CO 0.25 -1.06 1.19 -0.24 0.23 0.00 0.00 176.35 176.73 3n08 n SER 119 N -2.86 2.06 -4.48 2.29 2.88 -1.26 -4.90 113.62 107.36 3n08 n SER 119 Ca 0.07 1.01 -0.43 0.00 -1.33 0.00 0.00 58.87 58.19 3n08 n SER 119 Cb 0.54 -1.47 -0.03 0.00 -0.75 0.00 0.00 64.21 62.49 3n08 n SER 119 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3n08 s ASP 120 N -0.77 6.24 -0.02 -3.46 2.15 -1.26 -4.98 116.67 114.56 3n08 s ASP 120 Ca 0.66 -1.02 0.03 0.00 0.43 0.00 0.00 52.55 52.65 3n08 s ASP 120 Cb -0.48 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 39.69 3n08 s ASP 120 CO 0.54 -1.49 -0.09 -1.61 -0.17 0.00 0.00 175.17 172.35 3n08 s GLU 121 N 4.32 0.88 0.36 4.34 0.41 -1.26 -5.15 118.70 122.61 3n08 s GLU 121 Ca 0.27 -0.31 -0.03 0.00 -0.41 0.00 0.00 54.97 54.49 3n08 s GLU 121 Cb -0.13 -0.84 -0.04 0.00 -1.78 0.00 0.00 34.13 31.34 3n08 s GLU 121 CO 0.08 0.14 0.62 -1.21 -0.49 0.00 0.00 175.26 174.39 3n08 s GLU 122 N 0.08 3.57 -0.28 1.61 0.41 -1.26 -4.44 118.70 118.38 3n08 s GLU 122 Ca -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.51 3n08 s GLU 122 Cb -0.07 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.71 3n08 s GLU 122 CO 0.00 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.26 3n08 n GLY 123 N -1.57 0.45 3.69 -1.39 0.00 -1.26 -5.00 105.19 100.11 3n08 n GLY 123 Ca -0.02 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 3n08 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n08 s VAL 124 N -2.12 4.33 0.50 1.61 1.01 -1.26 -4.73 120.40 119.74 3n08 s VAL 124 Ca 0.00 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 63.61 3n08 s VAL 124 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3n08 s VAL 124 CO 0.00 0.03 0.75 0.42 0.00 0.00 0.00 175.10 176.30 3n08 s THR 125 N 1.91 3.86 0.21 3.92 -4.23 -1.26 -0.59 115.64 119.44 3n08 s THR 125 Ca 0.55 -0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.64 3n08 s THR 125 Cb -0.24 -3.46 0.14 0.00 1.34 0.00 0.00 72.50 70.28 3n08 s THR 125 CO 0.23 -0.38 1.75 0.50 -0.54 0.00 0.00 174.62 176.18 3n08 h LYS 126 N 0.20 0.41 -0.81 3.99 3.64 -1.97 -0.50 116.57 121.53 3n08 h LYS 126 Ca -0.46 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 3n08 h LYS 126 Cb 1.25 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 3n08 h LYS 126 CO 0.58 0.27 0.53 0.93 -2.27 0.00 0.00 179.45 179.50 3n08 h GLU 127 N 0.43 1.06 -0.54 1.90 5.08 -1.99 -0.33 114.58 120.19 3n08 h GLU 127 Ca 0.31 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 3n08 h GLU 127 Cb 0.36 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3n08 h GLU 127 CO -0.30 0.70 -0.12 1.96 -1.00 0.00 0.00 179.01 180.25 3n08 h GLN 128 N 1.09 1.04 -0.40 2.33 4.20 -1.82 -2.76 115.11 118.79 3n08 h GLN 128 Ca 0.29 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3n08 h GLN 128 Cb -0.13 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3n08 h GLN 128 CO -0.06 1.09 0.16 1.25 -0.67 0.00 0.00 178.83 180.59 3n08 h LEU 129 N 0.92 0.56 -1.14 1.46 5.85 -0.67 -1.41 115.31 120.88 3n08 h LEU 129 Ca 0.14 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3n08 h LEU 129 Cb 0.70 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3n08 h LEU 129 CO 0.05 0.57 0.40 -0.07 -0.34 0.00 0.00 178.44 179.06 3n08 h LEU 130 N 0.50 0.89 -0.50 2.25 3.38 -1.04 -0.77 115.31 120.02 3n08 h LEU 130 Ca 0.13 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3n08 h LEU 130 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3n08 h LEU 130 CO -0.01 0.71 0.02 -0.08 0.09 0.00 0.00 178.44 179.17 3n08 h GLU 131 N 1.01 0.88 -0.12 1.13 4.57 -1.18 -2.50 114.58 118.37 3n08 h GLU 131 Ca 0.26 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 3n08 h GLU 131 Cb 0.01 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 3n08 h GLU 131 CO -0.04 0.90 -0.31 0.00 -1.18 0.00 0.00 179.01 178.37 3n08 h ALA 132 N 0.94 1.25 0.00 2.92 0.00 -0.50 -2.83 119.26 121.05 3n08 h ALA 132 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3n08 h ALA 132 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3n08 h ALA 132 CO 0.02 0.51 -0.03 0.52 0.00 0.00 0.00 179.25 180.27 3n08 h MET 133 N 0.20 0.00 -6.38 0.00 2.86 -0.99 -3.46 114.93 107.16 3n08 h MET 133 Ca 0.03 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.06 3n08 h MET 133 Cb 0.66 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.36 3n08 h MET 133 CO 0.05 0.00 0.93 -3.47 1.06 0.00 0.00 176.91 175.48 3n08 n ASP 134 N -3.04 3.18 0.00 1.22 2.03 -0.96 -0.87 116.55 118.11 3n08 n ASP 134 Ca 0.04 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.38 3n08 n ASP 134 Cb 0.52 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 3n08 n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3n08 n GLY 135 N 3.86 0.85 0.00 0.27 0.00 -1.26 -4.89 105.19 104.02 3n08 n GLY 135 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3n08 n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3n08 n HIS 136 N -2.00 0.00 -2.61 1.61 8.25 -0.05 -5.01 115.22 115.42 3n08 n HIS 136 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3n08 n HIS 136 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3n08 n HIS 136 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3n08 s ILE 137 N -0.26 4.58 -0.14 1.59 1.01 -1.22 -1.46 121.20 125.31 3n08 s ILE 137 Ca 0.00 1.90 0.16 0.00 0.00 0.00 0.00 60.65 62.71 3n08 s ILE 137 Cb 0.00 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 37.99 3n08 s ILE 137 CO 0.00 -0.19 0.39 2.30 0.00 0.00 0.00 174.94 177.44 3n08 n ILE 138 N 5.38 0.00 -3.48 2.92 -5.35 0.28 -4.98 119.36 114.12 3n08 n ILE 138 Ca 0.12 -0.32 -0.13 0.00 -0.27 0.00 0.00 62.75 62.15 3n08 n ILE 138 Cb 0.46 0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.61 3n08 n ILE 138 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n08 s ALA 139 N -2.98 -1.73 0.04 -1.28 0.00 -1.20 -5.00 121.76 109.61 3n08 s ALA 139 Ca -0.04 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.89 3n08 s ALA 139 Cb 0.10 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 3n08 s ALA 139 CO 0.65 -0.59 -0.07 0.99 0.00 0.00 0.00 175.76 176.74 3n08 s THR 140 N -2.61 0.51 0.07 0.00 2.01 -1.26 -1.14 115.64 113.22 3n08 s THR 140 Ca -0.02 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 60.89 3n08 s THR 140 Cb -0.01 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 3n08 s THR 140 CO -0.04 -0.40 -0.02 0.00 -0.69 0.00 0.00 174.62 173.47 3n08 s ALA 141 N -1.44 0.62 -0.03 7.40 0.00 -0.35 -4.79 121.76 123.17 3n08 s ALA 141 Ca -0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 3n08 s ALA 141 Cb -0.10 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3n08 s ALA 141 CO 0.00 -0.37 0.08 -2.00 0.00 0.00 0.00 175.76 173.47 3n08 s GLU 142 N -3.93 0.08 0.06 0.00 2.12 -1.26 -1.03 118.70 114.74 3n08 s GLU 142 Ca 0.10 0.13 0.05 0.00 0.36 0.00 0.00 54.97 55.61 3n08 s GLU 142 Cb 0.08 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 3n08 s GLU 142 CO -0.08 -0.03 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.31 3n08 s LEU 143 N 0.18 2.24 -0.00 2.70 2.96 -0.12 -4.74 118.68 121.89 3n08 s LEU 143 Ca -0.01 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 3n08 s LEU 143 Cb -0.02 -0.51 -0.00 0.00 0.50 0.00 0.00 46.19 46.15 3n08 s LEU 143 CO -0.01 -0.05 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.63 3n08 s MET 144 N -1.51 0.21 0.11 1.98 -2.45 -1.26 -0.09 119.30 116.29 3n08 s MET 144 Ca -0.01 -0.09 0.01 0.00 -1.25 0.00 0.00 55.69 54.34 3n08 s MET 144 Cb -0.09 -0.20 -0.04 0.00 1.25 0.00 0.00 34.83 35.75 3n08 s MET 144 CO 0.02 0.05 -0.03 0.20 1.05 0.00 0.00 175.02 176.31 3n08 s GLY 145 N -0.07 0.87 0.25 2.11 0.00 -0.60 -0.57 107.32 109.31 3n08 s GLY 145 Ca 0.01 -1.41 0.08 0.00 0.00 0.00 0.00 44.72 43.40 3n08 s GLY 145 CO -0.00 -1.45 0.10 -0.51 0.00 0.00 0.00 173.10 171.24 3n08 s THR 146 N -3.70 3.99 -0.05 0.90 -4.23 -0.35 -0.61 115.64 111.59 3n08 s THR 146 Ca 0.16 -1.62 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 3n08 s THR 146 Cb 0.06 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.77 3n08 s THR 146 CO -0.03 -0.35 0.14 -0.47 -0.54 0.00 0.00 174.62 173.37 3n08 s TYR 147 N -2.20 -0.15 -0.02 3.99 5.04 -0.38 -0.41 117.35 123.21 3n08 s TYR 147 Ca 0.32 0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 55.32 3n08 s TYR 147 Cb -0.07 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.31 3n08 s TYR 147 CO 0.23 -0.08 0.04 -2.00 -1.34 0.00 0.00 175.55 172.39 3n08 s GLU 148 N 0.15 -0.04 0.30 4.97 2.12 -1.26 -1.00 118.70 123.93 3n08 s GLU 148 Ca -0.01 0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.25 3n08 s GLU 148 Cb -0.02 -0.29 -0.10 0.00 0.26 0.00 0.00 34.13 33.98 3n08 s GLU 148 CO -0.00 -0.19 1.38 0.15 -0.54 0.00 0.00 175.26 176.05 3n08 s LYS 149 N 1.24 4.30 0.00 4.30 1.02 -1.26 -5.03 119.74 124.30 3n08 s LYS 149 Ca -0.07 2.28 0.00 0.00 0.02 0.00 0.00 55.97 58.20 3n08 s LYS 149 Cb -0.13 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 3n08 s LYS 149 CO -0.03 -0.32 0.50 -0.40 -0.92 0.00 0.00 175.35 174.19