#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch4 s GLU 10 N 0.00 1.73 0.26 -1.58 2.02 -1.26 -4.07 118.70 115.80 2ch4 s GLU 10 Ca 0.00 -0.40 -0.07 0.00 0.02 0.00 0.00 54.97 54.52 2ch4 s GLU 10 Cb 0.00 -1.51 -0.06 0.00 0.10 0.00 0.00 34.13 32.66 2ch4 s GLU 10 CO 0.00 -0.05 0.54 -0.06 0.02 0.00 0.00 175.26 175.72 2ch4 s PHE 11 N 0.92 3.46 0.01 1.61 0.08 0.68 -5.00 117.98 119.73 2ch4 s PHE 11 Ca -0.10 0.73 0.02 0.00 0.12 0.00 0.00 56.93 57.71 2ch4 s PHE 11 Cb -0.15 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 2ch4 s PHE 11 CO 0.01 0.23 -0.08 -2.00 -0.10 0.00 0.00 175.22 173.27 2ch4 s GLU 12 N -3.20 0.59 -0.02 0.44 2.12 -1.26 -1.73 118.70 115.64 2ch4 s GLU 12 Ca 0.45 -0.41 -0.25 0.00 0.36 0.00 0.00 54.97 55.12 2ch4 s GLU 12 Cb -0.11 -0.53 0.05 0.00 0.26 0.00 0.00 34.13 33.81 2ch4 s GLU 12 CO 0.26 0.13 0.55 0.54 -0.54 0.00 0.00 175.26 176.21 2ch4 s VAL 13 N -0.51 0.02 -0.19 3.70 0.11 0.44 -4.29 120.40 119.69 2ch4 s VAL 13 Ca -0.00 -0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 58.71 2ch4 s VAL 13 Cb -0.05 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2ch4 s VAL 13 CO 0.00 -0.09 0.41 -0.22 -3.33 0.00 0.00 175.10 171.86 2ch4 s LEU 14 N -1.41 4.18 0.01 2.54 1.98 -0.43 0.71 118.68 126.26 2ch4 s LEU 14 Ca -0.10 0.57 0.08 0.00 -2.89 0.00 0.00 54.13 51.79 2ch4 s LEU 14 Cb -0.01 -2.54 -0.02 0.00 0.66 0.00 0.00 46.19 44.27 2ch4 s LEU 14 CO 0.06 -0.06 -0.25 -0.94 -1.89 0.00 0.00 176.35 173.27 2ch4 s SER 15 N 0.93 2.94 0.14 3.68 1.04 0.63 -0.69 113.70 122.38 2ch4 s SER 15 Ca 0.20 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.16 2ch4 s SER 15 Cb -0.15 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.66 2ch4 s SER 15 CO 0.08 0.28 0.13 2.22 0.98 0.00 0.00 173.24 176.93 2ch4 n PHE 16 N 2.22 -0.41 -4.49 5.02 -1.74 -0.90 -0.76 117.46 116.40 2ch4 n PHE 16 Ca -0.16 -1.14 -0.23 0.00 -0.56 0.00 0.00 57.45 55.35 2ch4 n PHE 16 Cb 0.52 0.14 -0.11 0.00 1.52 0.00 0.00 39.48 41.55 2ch4 n PHE 16 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 2ch4 s GLU 17 N -2.53 1.72 -0.43 3.97 2.02 -0.54 -1.69 118.70 121.22 2ch4 s GLU 17 Ca 0.16 -1.96 0.07 0.00 0.02 0.00 0.00 54.97 53.27 2ch4 s GLU 17 Cb 0.01 -1.05 0.18 0.00 0.10 0.00 0.00 34.13 33.37 2ch4 s GLU 17 CO 0.11 -0.15 0.61 0.42 0.02 0.00 0.00 175.26 176.27 2ch4 s ILE 18 N -3.16 -0.87 -1.21 -1.63 -1.09 -0.79 -2.57 121.20 109.88 2ch4 s ILE 18 Ca 0.36 -0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 58.33 2ch4 s ILE 18 Cb 0.09 -0.12 -0.01 0.00 -1.58 0.00 0.00 42.46 40.83 2ch4 s ILE 18 CO 0.16 -0.11 0.85 0.47 -1.23 0.00 0.00 174.94 175.08 2ch4 n ASP 19 N 4.03 -2.71 0.00 3.58 9.92 -1.26 -1.94 116.55 128.16 2ch4 n ASP 19 Ca 0.13 -0.74 0.00 0.00 -0.53 0.00 0.00 54.79 53.65 2ch4 n ASP 19 Cb 0.55 -4.59 0.00 0.00 -0.64 0.00 0.00 41.12 36.44 2ch4 n ASP 19 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2ch4 n GLU 20 N -4.04 -0.33 -3.46 -1.24 1.02 -1.26 -4.99 120.64 106.35 2ch4 n GLU 20 Ca -0.24 0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.55 2ch4 n GLU 20 Cb 0.66 -3.39 -0.10 0.00 -0.02 0.00 0.00 31.44 28.59 2ch4 n GLU 20 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2ch4 s GLN 21 N -0.48 2.97 0.32 3.49 2.00 -0.82 -5.06 119.66 122.08 2ch4 s GLN 21 Ca 0.00 -1.04 -0.26 0.00 -2.00 0.00 0.00 55.36 52.05 2ch4 s GLN 21 Cb 0.00 -3.99 -0.10 0.00 0.80 0.00 0.00 33.01 29.73 2ch4 s GLN 21 CO 0.00 -0.77 0.95 0.00 -0.50 0.00 0.00 175.29 174.97 2ch4 s ALA 22 N 1.68 3.22 0.17 1.58 0.00 -1.26 -1.88 121.76 125.27 2ch4 s ALA 22 Ca 0.05 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.56 2ch4 s ALA 22 Cb -0.19 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 2ch4 s ALA 22 CO 0.10 0.16 0.21 1.28 0.00 0.00 0.00 175.76 177.51 2ch4 n LEU 23 N 0.64 0.00 -3.60 0.00 4.32 -0.68 -2.55 117.00 115.13 2ch4 n LEU 23 Ca 0.02 -1.46 -0.09 0.00 -0.02 0.00 0.00 56.01 54.46 2ch4 n LEU 23 Cb 0.50 1.12 -0.05 0.00 -1.62 0.00 0.00 43.42 43.36 2ch4 n LEU 23 CO 0.45 -0.30 0.84 0.00 -1.22 0.00 0.00 177.39 177.16 2ch4 s ALA 24 N -2.33 -1.98 0.47 -1.18 0.00 -0.61 -2.13 121.76 114.00 2ch4 s ALA 24 Ca 0.16 1.69 0.04 0.00 0.00 0.00 0.00 51.96 53.84 2ch4 s ALA 24 Cb -0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 2ch4 s ALA 24 CO 0.11 -0.27 0.04 -0.06 0.00 0.00 0.00 175.76 175.58 2ch4 s PHE 25 N -0.79 2.10 -0.20 0.00 0.08 0.14 -2.03 117.98 117.29 2ch4 s PHE 25 Ca 0.01 -0.84 -0.17 0.00 0.12 0.00 0.00 56.93 56.06 2ch4 s PHE 25 Cb -0.02 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2ch4 s PHE 25 CO -0.02 0.26 0.44 -0.51 -0.10 0.00 0.00 175.22 175.29 2ch4 s ASP 26 N -3.85 6.48 0.00 1.36 1.11 -1.26 -1.31 116.67 119.20 2ch4 s ASP 26 Ca 0.19 0.58 0.00 0.00 0.18 0.00 0.00 52.55 53.49 2ch4 s ASP 26 Cb 0.04 -2.25 0.00 0.00 1.07 0.00 0.00 42.92 41.78 2ch4 s ASP 26 CO 0.10 -0.11 0.96 0.55 1.18 0.00 0.00 175.17 177.85 2ch4 n VAL 27 N 4.40 1.83 -0.28 -1.27 3.14 -1.26 -2.53 118.33 122.36 2ch4 n VAL 27 Ca -0.07 0.49 0.09 0.00 -2.96 0.00 0.00 64.34 61.89 2ch4 n VAL 27 Cb 0.51 -1.49 0.24 0.00 -1.06 0.00 0.00 33.84 32.04 2ch4 n VAL 27 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 2ch4 h ASP 28 N 0.00 0.22 0.00 6.55 3.32 -1.91 -3.15 116.42 121.44 2ch4 h ASP 28 Ca 0.00 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2ch4 h ASP 28 Cb 0.07 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2ch4 h ASP 28 CO 0.00 0.01 -1.48 0.59 -1.72 0.00 0.00 179.24 176.65 2ch4 n ASN 29 N -5.07 2.66 -4.66 6.45 5.03 -1.05 -4.98 115.26 113.64 2ch4 n ASN 29 Ca 0.18 0.00 -0.58 0.00 0.87 0.00 0.00 54.58 55.05 2ch4 n ASN 29 Cb 0.54 1.43 -0.08 0.00 -1.02 0.00 0.00 39.78 40.65 2ch4 n ASN 29 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2ch4 n ILE 30 N -1.88 0.24 -0.03 2.41 2.08 -1.19 -3.32 119.36 117.66 2ch4 n ILE 30 Ca -0.03 -0.07 -0.20 0.00 0.56 0.00 0.00 62.75 63.02 2ch4 n ILE 30 Cb 0.29 -1.14 -0.13 0.00 -0.75 0.00 0.00 39.64 37.91 2ch4 n ILE 30 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2ch4 h GLU 31 N 7.64 0.14 -1.58 0.38 4.81 -1.10 -3.48 114.58 121.39 2ch4 h GLU 31 Ca -0.42 -0.24 0.32 0.00 -0.13 0.00 0.00 59.36 58.90 2ch4 h GLU 31 Cb 1.33 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.69 2ch4 h GLU 31 CO 0.98 1.11 0.83 0.00 -0.73 0.00 0.00 179.01 181.20 2ch4 s MET 32 N -2.38 0.42 -0.28 1.92 0.23 -1.17 -5.02 119.30 113.02 2ch4 s MET 32 Ca -0.21 -0.24 0.00 0.00 -1.03 0.00 0.00 55.69 54.21 2ch4 s MET 32 Cb 0.03 0.14 0.08 0.00 -1.53 0.00 0.00 34.83 33.55 2ch4 s MET 32 CO 0.72 -0.20 0.03 0.14 -2.03 0.00 0.00 175.02 173.69 2ch4 s VAL 33 N -2.37 1.27 0.13 5.16 -7.23 -1.26 -0.72 120.40 115.39 2ch4 s VAL 33 Ca 0.17 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 58.89 2ch4 s VAL 33 Cb 0.04 -1.80 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 2ch4 s VAL 33 CO -0.03 -0.42 0.37 0.27 -0.31 0.00 0.00 175.10 174.98 2ch4 s ILE 34 N 1.46 5.17 -0.24 -0.62 -4.36 -0.74 -4.89 121.20 116.98 2ch4 s ILE 34 Ca 0.04 0.05 -0.29 0.00 -0.26 0.00 0.00 60.65 60.19 2ch4 s ILE 34 Cb -0.18 -3.62 -0.00 0.00 1.25 0.00 0.00 42.46 39.91 2ch4 s ILE 34 CO -0.14 0.07 1.21 -0.70 0.24 0.00 0.00 174.94 175.62 2ch4 s GLU 35 N -2.57 4.11 0.16 0.37 2.12 -1.26 -1.55 118.70 120.08 2ch4 s GLU 35 Ca 0.40 1.39 -0.34 0.00 0.36 0.00 0.00 54.97 56.78 2ch4 s GLU 35 Cb -0.12 -3.78 -0.15 0.00 0.26 0.00 0.00 34.13 30.35 2ch4 s GLU 35 CO 0.24 -0.86 1.45 1.17 -0.54 0.00 0.00 175.26 176.72 2ch4 n LYS 36 N 6.83 1.82 0.00 4.30 4.81 -0.57 -4.90 118.16 130.44 2ch4 n LYS 36 Ca 0.14 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2ch4 n LYS 36 Cb 0.46 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.16 2ch4 n LYS 36 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2ch4 n SER 37 N 2.81 0.00 -4.18 3.14 7.64 -1.26 -4.94 113.62 116.84 2ch4 n SER 37 Ca 0.16 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.77 2ch4 n SER 37 Cb 0.27 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.31 2ch4 n SER 37 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2ch4 s ASP 38 N -0.59 2.27 -0.47 6.43 -0.00 -1.26 -5.10 116.67 117.95 2ch4 s ASP 38 Ca 0.00 -0.36 0.03 0.00 -0.00 0.00 0.00 52.55 52.22 2ch4 s ASP 38 Cb 0.00 -0.43 0.15 0.00 -0.00 0.00 0.00 42.92 42.64 2ch4 s ASP 38 CO 0.00 0.20 0.29 -0.63 -0.00 0.00 0.00 175.17 175.03 2ch4 s ILE 39 N -0.24 1.39 -0.20 0.77 1.01 -1.26 -4.82 121.20 117.84 2ch4 s ILE 39 Ca 0.02 -2.77 -0.38 0.00 0.00 0.00 0.00 60.65 57.52 2ch4 s ILE 39 Cb -0.09 -1.96 -0.14 0.00 0.01 0.00 0.00 42.46 40.28 2ch4 s ILE 39 CO 0.01 -0.97 1.81 0.35 0.00 0.00 0.00 174.94 176.14 2ch4 n THR 40 N 3.24 0.43 -2.62 2.92 -2.24 -1.08 -4.66 114.28 110.26 2ch4 n THR 40 Ca 0.14 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.47 2ch4 n THR 40 Cb 0.37 -1.50 -0.05 0.00 -2.10 0.00 0.00 70.33 67.05 2ch4 n THR 40 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2ch4 s PRO 41 N 3.80 4.32 -0.43 -0.78 0.04 -1.26 -1.56 135.00 139.12 2ch4 s PRO 41 Ca 0.96 1.46 -0.08 0.00 0.04 0.00 0.00 61.00 63.38 2ch4 s PRO 41 Cb -0.92 -2.64 0.09 0.00 0.04 0.00 0.00 34.50 31.08 2ch4 s PRO 41 CO 0.60 0.00 0.28 0.08 0.04 0.00 0.00 177.00 178.00 2ch4 s VAL 42 N -1.64 4.09 0.98 -0.36 1.01 -1.26 -4.92 120.40 118.31 2ch4 s VAL 42 Ca 0.55 -1.60 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 2ch4 s VAL 42 Cb -0.21 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2ch4 s VAL 42 CO 0.27 -0.60 0.11 -2.65 0.00 0.00 0.00 175.10 172.22 2ch4 n PRO 43 N 4.87 -0.43 -3.98 2.72 -0.02 -1.26 -3.37 135.00 133.53 2ch4 n PRO 43 Ca -0.09 -0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.01 2ch4 n PRO 43 Cb 0.42 -1.68 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 2ch4 n PRO 43 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2ch4 n LYS 44 N -0.99 -0.76 -4.38 -0.52 4.81 -1.26 -4.92 118.16 110.14 2ch4 n LYS 44 Ca 0.04 0.03 -0.26 0.00 -0.87 0.00 0.00 58.31 57.25 2ch4 n LYS 44 Cb 0.56 -2.52 -0.13 0.00 0.02 0.00 0.00 35.03 32.96 2ch4 n LYS 44 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2ch4 s SER 45 N -4.02 2.82 -0.88 3.14 1.04 -1.22 -5.05 113.70 109.53 2ch4 s SER 45 Ca 0.13 -0.69 -0.32 0.00 0.48 0.00 0.00 55.95 55.55 2ch4 s SER 45 Cb -0.07 -0.18 -0.20 0.00 0.10 0.00 0.00 66.02 65.67 2ch4 s SER 45 CO 0.80 0.12 2.59 -1.14 0.98 0.00 0.00 173.24 176.59 2ch4 n ARG 46 N 1.14 0.11 0.00 4.02 0.63 -1.26 -4.75 116.66 116.55 2ch4 n ARG 46 Ca -0.19 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 2ch4 n ARG 46 Cb 0.53 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.77 2ch4 n ARG 46 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2ch4 n HIS 47 N 10.53 0.00 1.52 -0.14 8.25 -1.26 -1.51 115.22 132.61 2ch4 n HIS 47 Ca 0.62 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 58.22 2ch4 n HIS 47 Cb 0.07 -0.10 0.58 0.00 1.12 0.00 0.00 29.99 31.65 2ch4 n HIS 47 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2ch4 n PHE 48 N -1.00 0.00 -4.04 4.41 -1.74 -1.26 -4.71 117.46 109.12 2ch4 n PHE 48 Ca 0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.54 2ch4 n PHE 48 Cb 0.25 -0.05 -0.12 0.00 1.52 0.00 0.00 39.48 41.08 2ch4 n PHE 48 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2ch4 s VAL 49 N -2.16 4.00 -1.33 1.97 -7.23 -0.57 -0.15 120.40 114.94 2ch4 s VAL 49 Ca 0.36 -0.29 0.30 0.00 -1.81 0.00 0.00 61.98 60.53 2ch4 s VAL 49 Cb 0.21 -2.82 0.46 0.00 0.56 0.00 0.00 36.38 34.79 2ch4 s VAL 49 CO 0.39 0.42 2.01 1.21 -0.31 0.00 0.00 175.10 178.83 2ch4 n GLU 50 N 4.29 0.33 0.00 4.82 2.13 0.21 -4.86 120.64 127.55 2ch4 n GLU 50 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 2ch4 n GLU 50 Cb 0.52 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.73 2ch4 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ch4 n GLY 51 N 1.29 0.45 2.97 8.31 0.00 -1.13 -4.52 105.19 112.57 2ch4 n GLY 51 Ca 0.13 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 2ch4 n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ch4 s VAL 52 N -2.65 0.07 0.40 1.61 -7.23 -0.60 0.86 120.40 112.85 2ch4 s VAL 52 Ca 0.00 -0.56 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 2ch4 s VAL 52 Cb 0.00 -0.21 -0.08 0.00 0.56 0.00 0.00 36.38 36.65 2ch4 s VAL 52 CO 0.00 -0.31 0.02 0.27 -0.31 0.00 0.00 175.10 174.77 2ch4 s ILE 53 N -0.93 1.86 -0.38 -0.62 -4.36 0.11 -2.64 121.20 114.24 2ch4 s ILE 53 Ca -0.10 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.19 2ch4 s ILE 53 Cb -0.06 -2.96 0.04 0.00 1.25 0.00 0.00 42.46 40.72 2ch4 s ILE 53 CO -0.00 0.00 0.21 0.21 0.24 0.00 0.00 174.94 175.60 2ch4 s ASN 54 N -3.67 5.68 -0.22 4.36 2.47 -1.26 -1.62 114.94 120.68 2ch4 s ASN 54 Ca 0.35 -1.11 -0.06 0.00 0.42 0.00 0.00 52.86 52.46 2ch4 s ASN 54 Cb 0.10 -2.00 -0.02 0.00 -1.45 0.00 0.00 41.25 37.87 2ch4 s ASN 54 CO 0.18 -0.41 0.01 -0.22 -3.72 0.00 0.00 177.10 172.93 2ch4 s LEU 55 N 1.52 3.24 -1.19 3.21 2.96 -0.36 -4.65 118.68 123.41 2ch4 s LEU 55 Ca 0.02 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2ch4 s LEU 55 Cb -0.20 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.67 2ch4 s LEU 55 CO 0.05 0.01 0.04 0.54 -1.32 0.00 0.00 176.35 175.68 2ch4 n ARG 56 N 4.59 -0.94 -0.97 1.98 5.12 -1.26 0.66 116.66 125.85 2ch4 n ARG 56 Ca -0.17 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2ch4 n ARG 56 Cb 0.51 -2.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.05 2ch4 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ch4 n GLY 57 N -2.07 0.88 3.48 -0.13 0.00 -1.26 -5.02 105.19 101.06 2ch4 n GLY 57 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2ch4 n GLY 57 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ch4 s ARG 58 N -0.08 1.77 -0.33 1.61 1.70 0.21 -5.10 118.95 118.74 2ch4 s ARG 58 Ca 0.00 -1.18 -0.21 0.00 -0.47 0.00 0.00 55.73 53.87 2ch4 s ARG 58 Cb 0.00 -2.10 -0.00 0.00 -0.57 0.00 0.00 34.95 32.28 2ch4 s ARG 58 CO 0.00 0.48 0.68 0.42 -1.08 0.00 0.00 175.30 175.80 2ch4 s ILE 59 N -1.12 4.87 -0.08 4.99 1.01 -1.26 -1.22 121.20 128.39 2ch4 s ILE 59 Ca 0.17 0.84 0.02 0.00 0.00 0.00 0.00 60.65 61.68 2ch4 s ILE 59 Cb -0.11 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2ch4 s ILE 59 CO 0.09 -0.25 -0.13 -0.63 0.00 0.00 0.00 174.94 174.03 2ch4 s ILE 60 N 2.76 3.13 -0.15 2.92 1.01 -0.64 -4.97 121.20 125.26 2ch4 s ILE 60 Ca 0.27 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.99 2ch4 s ILE 60 Cb -0.14 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 2ch4 s ILE 60 CO 0.13 0.57 0.86 -2.16 0.00 0.00 0.00 174.94 174.34 2ch4 s PRO 61 N -0.35 4.33 -0.57 2.79 0.04 -1.26 0.05 135.00 140.02 2ch4 s PRO 61 Ca 0.04 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.05 2ch4 s PRO 61 Cb -0.13 -3.56 0.15 0.00 0.04 0.00 0.00 34.50 31.00 2ch4 s PRO 61 CO 0.02 -0.31 0.47 0.08 0.04 0.00 0.00 177.00 177.30 2ch4 s VAL 62 N 2.06 4.58 0.38 -0.36 1.01 0.25 -0.45 120.40 127.87 2ch4 s VAL 62 Ca 0.40 -2.04 -0.23 0.00 0.00 0.00 0.00 61.98 60.11 2ch4 s VAL 62 Cb -0.17 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 2ch4 s VAL 62 CO 0.14 -0.86 0.95 -0.69 0.00 0.00 0.00 175.10 174.64 2ch4 s VAL 63 N 0.97 4.27 -0.46 2.92 1.01 0.63 0.63 120.40 130.38 2ch4 s VAL 63 Ca 0.09 1.63 -0.18 0.00 0.00 0.00 0.00 61.98 63.52 2ch4 s VAL 63 Cb -0.23 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2ch4 s VAL 63 CO -0.02 -0.10 0.52 0.21 0.00 0.00 0.00 175.10 175.71 2ch4 s ASN 64 N -1.89 6.22 0.11 3.32 3.04 0.79 -1.94 114.94 124.59 2ch4 s ASN 64 Ca 0.57 -0.78 -0.22 0.00 0.04 0.00 0.00 52.86 52.47 2ch4 s ASN 64 Cb -0.14 -2.25 -0.08 0.00 -1.54 0.00 0.00 41.25 37.24 2ch4 s ASN 64 CO 0.19 -0.71 1.71 0.25 -3.04 0.00 0.00 177.10 175.49 2ch4 h LEU 65 N 9.31 -0.19 -0.95 3.21 5.85 -1.85 0.57 115.31 131.26 2ch4 h LEU 65 Ca -0.27 0.04 0.24 0.00 0.84 0.00 0.00 57.88 58.73 2ch4 h LEU 65 Cb 1.10 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.10 2ch4 h LEU 65 CO 0.87 -0.09 0.49 0.00 -0.34 0.00 0.00 178.44 179.37 2ch4 h ALA 66 N 0.98 1.62 0.16 1.25 0.00 -1.92 -0.60 119.26 120.75 2ch4 h ALA 66 Ca 0.05 0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 2ch4 h ALA 66 Cb 0.15 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ch4 h ALA 66 CO -0.12 -0.34 -1.45 -0.22 0.00 0.00 0.00 179.25 177.13 2ch4 h LYS 67 N 0.46 0.34 0.00 0.00 3.11 -1.74 -0.54 116.57 118.19 2ch4 h LYS 67 Ca 0.61 -0.57 -0.03 0.00 -2.81 0.00 0.00 60.65 57.84 2ch4 h LYS 67 Cb 1.19 0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 32.63 2ch4 h LYS 67 CO -0.52 1.24 -0.15 0.97 -2.81 0.00 0.00 179.45 178.18 2ch4 h ILE 68 N 0.09 0.90 0.00 2.00 2.10 0.31 -3.04 117.51 119.87 2ch4 h ILE 68 Ca -0.22 -0.56 -0.17 0.00 1.08 0.00 0.00 64.86 64.99 2ch4 h ILE 68 Cb 2.05 1.32 -0.02 0.00 -1.09 0.00 0.00 36.82 39.07 2ch4 h ILE 68 CO 0.20 0.15 -0.97 -0.07 -1.08 0.00 0.00 178.15 176.38 2ch4 h LEU 69 N 0.00 0.00 0.00 2.19 3.38 -1.23 -3.50 115.31 116.15 2ch4 h LEU 69 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2ch4 h LEU 69 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ch4 h LEU 69 CO 0.02 1.31 0.00 0.61 0.09 0.00 0.00 178.44 180.47 2ch4 n GLY 70 N 1.49 0.79 0.00 0.83 0.00 -0.33 -5.00 105.19 102.97 2ch4 n GLY 70 Ca -0.25 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2ch4 n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ch4 n ILE 71 N 0.00 0.00 -1.45 -0.61 -5.35 -0.49 -5.04 119.36 106.42 2ch4 n ILE 71 Ca 0.00 0.00 -0.49 0.00 -0.27 0.00 0.00 62.75 61.99 2ch4 n ILE 71 Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 37.82 2ch4 n ILE 71 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2ch4 n SER 72 N -1.15 1.90 -4.33 7.28 7.64 -1.26 -4.83 113.62 118.86 2ch4 n SER 72 Ca 0.00 0.31 -0.32 0.00 1.01 0.00 0.00 58.87 59.87 2ch4 n SER 72 Cb 0.00 -1.24 -0.15 0.00 -1.01 0.00 0.00 64.21 61.81 2ch4 n SER 72 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ch4 s PHE 73 N 7.88 2.66 -0.29 1.43 2.19 -1.26 -4.59 117.98 126.01 2ch4 s PHE 73 Ca 1.12 -0.70 -0.15 0.00 0.33 0.00 0.00 56.93 57.53 2ch4 s PHE 73 Cb -0.87 -1.73 0.12 0.00 -1.31 0.00 0.00 43.02 39.23 2ch4 s PHE 73 CO 0.48 -0.22 0.79 0.34 1.83 0.00 0.00 175.22 178.45 2ch4 s ASP 74 N 0.11 -0.82 -0.14 6.13 -1.08 -1.26 -5.11 116.67 114.49 2ch4 s ASP 74 Ca -0.09 1.25 -0.28 0.00 -0.52 0.00 0.00 52.55 52.91 2ch4 s ASP 74 Cb -0.15 1.54 -0.25 0.00 -1.46 0.00 0.00 42.92 42.59 2ch4 s ASP 74 CO 0.06 -0.19 0.72 -0.08 0.52 0.00 0.00 175.17 176.19 2ch4 h GLU 75 N 6.98 0.01 -0.13 4.34 4.22 -1.98 -3.34 114.58 124.69 2ch4 h GLU 75 Ca -0.26 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.17 2ch4 h GLU 75 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ch4 h GLU 75 CO 0.15 1.00 0.00 1.04 -2.18 0.00 0.00 179.01 179.03 2ch4 n GLN 76 N -4.58 0.18 -0.02 1.92 1.13 -1.26 -1.63 117.38 113.12 2ch4 n GLN 76 Ca -0.12 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.91 2ch4 n GLN 76 Cb 0.51 -1.06 -0.02 0.00 0.11 0.00 0.00 30.24 29.77 2ch4 n GLN 76 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2ch4 n LYS 77 N 0.13 0.55 -2.00 -1.09 5.02 -1.25 -4.97 118.16 114.54 2ch4 n LYS 77 Ca 0.00 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 2ch4 n LYS 77 Cb 0.03 -1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2ch4 n LYS 77 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2ch4 s MET 78 N -2.08 2.89 -0.01 1.97 -1.94 -0.65 -4.65 119.30 114.83 2ch4 s MET 78 Ca -0.05 0.99 0.03 0.00 -1.71 0.00 0.00 55.69 54.95 2ch4 s MET 78 Cb 0.01 -4.32 0.06 0.00 2.01 0.00 0.00 34.83 32.59 2ch4 s MET 78 CO 0.10 -2.40 1.04 1.63 -0.01 0.00 0.00 175.02 175.38 2ch4 n LYS 79 N 8.85 2.82 -4.55 2.03 5.02 -0.99 -4.87 118.16 126.46 2ch4 n LYS 79 Ca 0.22 -1.66 -0.23 0.00 -2.02 0.00 0.00 58.31 54.63 2ch4 n LYS 79 Cb 0.50 -1.08 -0.16 0.00 -0.02 0.00 0.00 35.03 34.28 2ch4 n LYS 79 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ch4 s SER 80 N -1.19 1.57 -0.10 4.39 0.01 -0.60 -1.52 113.70 116.25 2ch4 s SER 80 Ca 0.05 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.08 2ch4 s SER 80 Cb 0.04 -0.45 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 2ch4 s SER 80 CO 0.02 0.09 -0.16 -0.63 0.41 0.00 0.00 173.24 172.97 2ch4 s ILE 81 N 0.18 2.85 -0.54 1.44 1.01 -0.59 0.57 121.20 126.11 2ch4 s ILE 81 Ca -0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 2ch4 s ILE 81 Cb -0.10 -2.16 0.14 0.00 0.01 0.00 0.00 42.46 40.35 2ch4 s ILE 81 CO 0.01 0.55 0.44 -0.63 0.00 0.00 0.00 174.94 175.31 2ch4 s ILE 82 N 0.07 4.56 0.24 2.92 1.01 0.34 -1.79 121.20 128.55 2ch4 s ILE 82 Ca -0.07 -1.91 -0.30 0.00 0.00 0.00 0.00 60.65 58.38 2ch4 s ILE 82 Cb -0.15 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 2ch4 s ILE 82 CO 0.05 -0.84 1.21 -0.69 0.00 0.00 0.00 174.94 174.67 2ch4 s VAL 83 N 1.15 3.32 0.01 2.92 1.01 0.10 -1.68 120.40 127.24 2ch4 s VAL 83 Ca 0.08 1.20 -0.03 0.00 0.00 0.00 0.00 61.98 63.23 2ch4 s VAL 83 Cb -0.25 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2ch4 s VAL 83 CO -0.01 0.24 0.04 0.00 0.00 0.00 0.00 175.10 175.37 2ch4 s ALA 84 N -0.57 -0.07 -0.07 5.51 0.00 0.63 -0.46 121.76 126.73 2ch4 s ALA 84 Ca 0.50 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.06 2ch4 s ALA 84 Cb -0.34 0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2ch4 s ALA 84 CO 0.41 -0.19 -0.08 0.50 0.00 0.00 0.00 175.76 176.41 2ch4 s ARG 85 N -1.48 1.36 0.00 0.00 3.52 -1.21 -0.98 118.95 120.16 2ch4 s ARG 85 Ca -0.15 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 2ch4 s ARG 85 Cb -0.09 -1.28 0.00 0.00 -1.56 0.00 0.00 34.95 32.02 2ch4 s ARG 85 CO -0.00 -0.10 0.00 2.41 -0.81 0.00 0.00 175.30 176.80 2ch4 n THR 86 N 4.27 0.00 -0.09 4.11 -1.04 0.19 -4.86 114.28 116.86 2ch4 n THR 86 Ca -0.19 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.75 2ch4 n THR 86 Cb 0.51 -1.06 0.01 0.00 -1.82 0.00 0.00 70.33 67.96 2ch4 n THR 86 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2ch4 h LYS 87 N 0.00 0.09 0.00 -2.82 6.56 -2.01 -3.37 116.57 115.03 2ch4 h LYS 87 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2ch4 h LYS 87 Cb 0.00 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 2ch4 h LYS 87 CO 0.00 0.06 -0.79 -3.47 -2.06 0.00 0.00 179.45 173.19 2ch4 n ASP 88 N -5.17 3.94 -4.91 0.86 2.03 -1.26 -5.08 116.55 106.97 2ch4 n ASP 88 Ca 0.01 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.02 2ch4 n ASP 88 Cb 0.17 0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 41.12 2ch4 n ASP 88 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2ch4 s VAL 89 N -1.68 5.13 -0.02 5.18 1.01 -1.26 -5.11 120.40 123.65 2ch4 s VAL 89 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2ch4 s VAL 89 Cb 0.00 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2ch4 s VAL 89 CO 0.00 -0.11 0.01 -0.70 0.00 0.00 0.00 175.10 174.29 2ch4 s GLU 90 N -3.07 0.18 0.07 2.72 2.12 -1.26 0.58 118.70 120.04 2ch4 s GLU 90 Ca 0.41 0.08 -0.06 0.00 0.36 0.00 0.00 54.97 55.76 2ch4 s GLU 90 Cb -0.11 -0.36 -0.01 0.00 0.26 0.00 0.00 34.13 33.90 2ch4 s GLU 90 CO 0.27 -0.11 0.11 0.08 -0.54 0.00 0.00 175.26 175.07 2ch4 s VAL 91 N 0.84 0.17 -0.13 3.70 1.01 -0.15 -4.46 120.40 121.38 2ch4 s VAL 91 Ca -0.08 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.53 2ch4 s VAL 91 Cb -0.11 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.90 2ch4 s VAL 91 CO -0.02 -0.77 -0.19 -0.83 0.00 0.00 0.00 175.10 173.30 2ch4 s GLY 92 N -2.85 1.24 -0.17 4.51 0.00 0.41 -0.27 107.32 110.19 2ch4 s GLY 92 Ca 0.05 -0.97 -0.10 0.00 0.00 0.00 0.00 44.72 43.70 2ch4 s GLY 92 CO -0.10 0.12 0.17 -1.36 0.00 0.00 0.00 173.10 171.93 2ch4 s PHE 93 N 0.95 3.47 -0.22 1.90 0.40 -0.68 -0.27 117.98 123.54 2ch4 s PHE 93 Ca -0.05 0.44 -0.14 0.00 -0.60 0.00 0.00 56.93 56.58 2ch4 s PHE 93 Cb -0.15 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 2ch4 s PHE 93 CO -0.03 0.38 0.30 -1.17 0.70 0.00 0.00 175.22 175.40 2ch4 s LEU 94 N 0.05 4.13 0.16 -0.37 0.20 -0.82 0.13 118.68 122.16 2ch4 s LEU 94 Ca 0.12 0.34 0.00 0.00 0.69 0.00 0.00 54.13 55.27 2ch4 s LEU 94 Cb -0.12 -2.35 -0.04 0.00 -0.43 0.00 0.00 46.19 43.25 2ch4 s LEU 94 CO 0.01 -0.03 0.05 0.68 -0.29 0.00 0.00 176.35 176.76 2ch4 s VAL 95 N 1.27 0.33 0.12 1.68 -7.23 0.19 -3.56 120.40 113.20 2ch4 s VAL 95 Ca 0.14 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.14 2ch4 s VAL 95 Cb -0.14 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 2ch4 s VAL 95 CO 0.07 -0.40 1.68 0.44 -0.31 0.00 0.00 175.10 176.58 2ch4 h ASP 96 N 2.76 -0.37 -4.05 4.85 3.45 -1.76 -1.56 116.42 119.74 2ch4 h ASP 96 Ca -0.36 0.06 0.17 0.00 0.43 0.00 0.00 57.03 57.34 2ch4 h ASP 96 Cb 1.21 0.17 -0.21 0.00 -0.56 0.00 0.00 39.33 39.93 2ch4 h ASP 96 CO 0.60 -0.17 0.70 0.00 -1.57 0.00 0.00 179.24 178.80 2ch4 s ARG 97 N -6.16 0.44 -0.17 3.56 1.70 -1.26 -2.36 118.95 114.71 2ch4 s ARG 97 Ca -0.14 -0.03 -0.06 0.00 -0.47 0.00 0.00 55.73 55.03 2ch4 s ARG 97 Cb 0.09 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 2ch4 s ARG 97 CO 0.67 -0.17 0.02 0.54 -1.08 0.00 0.00 175.30 175.28 2ch4 s VAL 98 N -1.83 4.38 0.00 4.99 0.11 -1.26 -1.46 120.40 125.33 2ch4 s VAL 98 Ca 0.05 -0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 58.73 2ch4 s VAL 98 Cb -0.01 -2.95 -0.33 0.00 -1.53 0.00 0.00 36.38 31.56 2ch4 s VAL 98 CO -0.04 0.48 0.98 -0.07 -3.33 0.00 0.00 175.10 173.12 2ch4 h LEU 99 N 6.68 0.70 0.00 2.54 -0.00 -1.28 -3.48 115.31 120.46 2ch4 h LEU 99 Ca -0.34 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 56.63 2ch4 h LEU 99 Cb 1.18 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2ch4 h LEU 99 CO 0.67 1.56 0.00 0.61 -0.00 0.00 0.00 178.44 181.28 2ch4 n GLY 100 N 1.62 0.70 3.78 0.83 0.00 -0.72 -4.99 105.19 106.41 2ch4 n GLY 100 Ca -0.15 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 2ch4 n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ch4 s VAL 101 N -1.30 3.29 -0.01 1.61 -7.23 -1.25 -0.27 120.40 115.25 2ch4 s VAL 101 Ca 0.00 0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 60.96 2ch4 s VAL 101 Cb 0.00 -3.33 -0.00 0.00 0.56 0.00 0.00 36.38 33.60 2ch4 s VAL 101 CO 0.00 -0.16 0.05 -0.22 -0.31 0.00 0.00 175.10 174.46 2ch4 s LEU 102 N -3.69 1.86 -0.47 1.32 2.96 0.22 -4.88 118.68 116.00 2ch4 s LEU 102 Ca 0.71 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 54.35 2ch4 s LEU 102 Cb -0.23 0.28 0.09 0.00 0.50 0.00 0.00 46.19 46.83 2ch4 s LEU 102 CO 0.26 -0.18 0.38 -0.60 -1.32 0.00 0.00 176.35 174.89 2ch4 s ARG 103 N -0.73 2.87 0.32 1.98 3.52 -1.26 -0.42 118.95 125.23 2ch4 s ARG 103 Ca -0.08 -1.46 0.08 0.00 -0.13 0.00 0.00 55.73 54.14 2ch4 s ARG 103 Cb -0.05 -4.07 -0.03 0.00 -1.56 0.00 0.00 34.95 29.24 2ch4 s ARG 103 CO 0.00 -1.07 0.24 0.42 -0.81 0.00 0.00 175.30 174.08 2ch4 s ILE 104 N 1.57 3.61 0.13 4.11 1.09 -0.71 -4.97 121.20 126.03 2ch4 s ILE 104 Ca 0.04 -1.45 -0.23 0.00 -1.10 0.00 0.00 60.65 57.91 2ch4 s ILE 104 Cb -0.25 -3.18 0.06 0.00 -1.06 0.00 0.00 42.46 38.04 2ch4 s ILE 104 CO 0.05 -0.22 0.58 0.28 -0.10 0.00 0.00 174.94 175.53 2ch4 s THR 105 N -2.29 0.01 0.05 2.92 -1.32 -1.26 -0.23 115.64 113.52 2ch4 s THR 105 Ca 0.38 -0.09 -0.06 0.00 -1.21 0.00 0.00 61.69 60.72 2ch4 s THR 105 Cb -0.06 -1.02 0.03 0.00 -1.51 0.00 0.00 72.50 69.95 2ch4 s THR 105 CO 0.25 -0.05 0.40 -0.62 -2.21 0.00 0.00 174.62 172.40 2ch4 n GLU 106 N -0.20 -0.08 -0.02 7.08 4.71 -1.26 0.13 120.64 131.00 2ch4 n GLU 106 Ca -0.17 0.40 -0.09 0.00 -0.01 0.00 0.00 57.16 57.29 2ch4 n GLU 106 Cb 0.64 -0.59 -0.02 0.00 -1.01 0.00 0.00 31.44 30.45 2ch4 n GLU 106 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2ch4 h ASN 107 N 0.00 -0.56 0.17 1.62 4.21 -1.97 -2.06 115.58 116.98 2ch4 h ASN 107 Ca 0.07 0.10 -0.10 0.00 1.21 0.00 0.00 56.30 57.58 2ch4 h ASN 107 Cb 0.14 0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2ch4 h ASN 107 CO -0.25 -0.22 -0.37 0.06 -1.29 0.00 0.00 177.43 175.35 2ch4 h GLN 108 N -0.21 0.28 -6.27 0.81 -0.00 0.75 -3.42 115.11 107.05 2ch4 h GLN 108 Ca 0.11 -0.12 -0.55 0.00 -0.00 0.00 0.00 58.65 58.08 2ch4 h GLN 108 Cb 0.37 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.83 2ch4 h GLN 108 CO -0.29 0.62 0.94 -0.48 -0.00 0.00 0.00 178.83 179.62 2ch4 s LEU 109 N -8.35 4.28 0.22 0.06 0.05 0.45 -3.37 118.68 112.03 2ch4 s LEU 109 Ca -0.05 2.03 0.08 0.00 0.05 0.00 0.00 54.13 56.25 2ch4 s LEU 109 Cb 0.13 -3.54 -0.04 0.00 -2.05 0.00 0.00 46.19 40.69 2ch4 s LEU 109 CO 0.77 -0.80 0.03 -0.62 -0.55 0.00 0.00 176.35 175.18 2ch4 s ASP 110 N 2.41 4.81 -0.31 1.48 3.68 -1.26 -4.85 116.67 122.64 2ch4 s ASP 110 Ca 0.64 -0.47 -0.03 0.00 2.13 0.00 0.00 52.55 54.83 2ch4 s ASP 110 Cb -0.29 -1.02 0.11 0.00 -1.45 0.00 0.00 42.92 40.28 2ch4 s ASP 110 CO 0.24 0.03 0.16 -0.76 0.13 0.00 0.00 175.17 174.97 2ch4 s LEU 111 N -3.39 0.68 -0.52 -1.34 1.43 -1.26 -3.56 118.68 110.72 2ch4 s LEU 111 Ca 0.30 -1.60 0.07 0.00 -1.03 0.00 0.00 54.13 51.87 2ch4 s LEU 111 Cb -0.08 -0.35 0.32 0.00 0.03 0.00 0.00 46.19 46.11 2ch4 s LEU 111 CO 0.20 -0.39 0.83 0.41 0.23 0.00 0.00 176.35 177.63 2ch4 n THR 112 N 4.82 1.79 0.15 5.49 -1.04 -1.26 -4.89 114.28 119.34 2ch4 n THR 112 Ca 0.01 -5.14 0.02 0.00 -2.04 0.00 0.00 64.05 56.89 2ch4 n THR 112 Cb 0.40 -1.23 0.08 0.00 -1.82 0.00 0.00 70.33 67.77 2ch4 n THR 112 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2ch4 n ASN 113 N 0.18 0.00 -0.69 8.00 0.23 -1.26 0.15 115.26 121.87 2ch4 n ASN 113 Ca 0.28 0.25 0.12 0.00 -0.53 0.00 0.00 54.58 54.71 2ch4 n ASN 113 Cb 0.48 -0.30 0.13 0.00 -2.08 0.00 0.00 39.78 38.01 2ch4 n ASN 113 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2ch4 n VAL 114 N -1.30 0.00 -0.03 3.53 0.31 -1.26 -4.38 118.33 115.20 2ch4 n VAL 114 Ca 0.02 -0.36 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 2ch4 n VAL 114 Cb 0.03 1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 34.10 2ch4 n VAL 114 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ch4 h SER 115 N 3.38 -0.06 -3.95 4.52 0.02 0.10 -3.46 113.55 114.11 2ch4 h SER 115 Ca 0.00 -0.50 -0.51 0.00 -0.84 0.00 0.00 61.79 59.94 2ch4 h SER 115 Cb 0.82 0.01 0.06 0.00 0.14 0.00 0.00 62.40 63.44 2ch4 h SER 115 CO 0.00 0.66 0.51 1.51 -1.14 0.00 0.00 176.83 178.37 2ch4 s ASP 116 N -5.79 6.43 0.15 3.07 3.84 -1.24 -4.97 116.67 118.15 2ch4 s ASP 116 Ca -0.11 2.38 -0.13 0.00 -0.00 0.00 0.00 52.55 54.69 2ch4 s ASP 116 Cb -0.01 -2.62 0.03 0.00 -1.38 0.00 0.00 42.92 38.94 2ch4 s ASP 116 CO 0.42 -0.74 1.65 0.07 -0.00 0.00 0.00 175.17 176.56 2ch4 h LYS 117 N 2.54 0.83 -6.31 2.11 5.09 -1.93 -3.40 116.57 115.49 2ch4 h LYS 117 Ca -0.49 -0.21 -0.54 0.00 0.09 0.00 0.00 60.65 59.50 2ch4 h LYS 117 Cb 1.24 -0.10 -0.05 0.00 0.10 0.00 0.00 32.23 33.41 2ch4 h LYS 117 CO 0.62 0.81 1.17 -0.59 -2.09 0.00 0.00 179.45 179.37 2ch4 s PHE 118 N -5.25 2.11 0.00 0.07 -0.12 -1.26 -4.97 117.98 108.57 2ch4 s PHE 118 Ca -0.13 0.54 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 2ch4 s PHE 118 Cb 0.12 -4.31 0.00 0.00 -0.63 0.00 0.00 43.02 38.20 2ch4 s PHE 118 CO 0.80 -2.16 0.00 0.41 -0.05 0.00 0.00 175.22 174.23 2ch4 n GLY 119 N 5.36 0.00 0.21 1.99 0.00 -1.26 -3.81 105.19 107.67 2ch4 n GLY 119 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2ch4 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ch4 h LYS 120 N 0.00 0.00 -1.33 1.61 1.79 -1.93 -3.24 116.57 113.48 2ch4 h LYS 120 Ca 0.00 0.00 0.38 0.00 -2.18 0.00 0.00 60.65 58.85 2ch4 h LYS 120 Cb 0.00 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 2ch4 h LYS 120 CO 0.00 0.00 1.01 -0.22 -1.08 0.00 0.00 179.45 179.16 2ch4 h LYS 121 N 0.00 0.00 -4.11 3.15 3.64 -1.93 -3.36 116.57 113.95 2ch4 h LYS 121 Ca 0.00 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.94 2ch4 h LYS 121 Cb 0.80 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.28 2ch4 h LYS 121 CO 0.00 0.00 -0.78 -1.54 -2.27 0.00 0.00 179.45 174.86 2ch4 s SER 122 N -4.67 1.20 0.28 4.20 1.04 -1.22 -2.46 113.70 112.06 2ch4 s SER 122 Ca -0.05 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2ch4 s SER 122 Cb 0.23 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2ch4 s SER 122 CO 0.78 -0.05 0.00 0.29 0.98 0.00 0.00 173.24 175.24 2ch4 n LYS 123 N 4.11 0.33 -0.68 4.02 4.76 0.46 -4.86 118.16 126.30 2ch4 n LYS 123 Ca -0.23 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 54.90 2ch4 n LYS 123 Cb 0.51 0.00 0.17 0.00 -1.84 0.00 0.00 35.03 33.87 2ch4 n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ch4 n GLY 124 N 1.61 -1.63 3.49 0.72 0.00 -1.26 -4.54 105.19 103.59 2ch4 n GLY 124 Ca 0.00 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2ch4 n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ch4 s LEU 125 N -3.78 4.86 0.23 0.99 1.98 -1.23 -2.63 118.68 119.10 2ch4 s LEU 125 Ca 0.62 -0.69 0.06 0.00 -2.89 0.00 0.00 54.13 51.22 2ch4 s LEU 125 Cb -0.21 -2.17 -0.03 0.00 0.66 0.00 0.00 46.19 44.43 2ch4 s LEU 125 CO 0.64 -0.38 0.25 0.68 -1.89 0.00 0.00 176.35 175.65 2ch4 s VAL 126 N 1.74 4.78 0.10 1.68 -7.23 -0.73 -4.03 120.40 116.71 2ch4 s VAL 126 Ca 0.06 -1.19 0.03 0.00 -1.81 0.00 0.00 61.98 59.07 2ch4 s VAL 126 Cb -0.18 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 2ch4 s VAL 126 CO 0.10 -0.30 -0.08 -1.59 -0.31 0.00 0.00 175.10 172.93 2ch4 s LYS 127 N -3.77 0.85 -0.20 4.82 -2.85 -1.22 -2.78 119.74 114.59 2ch4 s LYS 127 Ca 0.33 -1.27 -0.17 0.00 -1.00 0.00 0.00 55.97 53.85 2ch4 s LYS 127 Cb -0.09 -0.33 0.05 0.00 -2.06 0.00 0.00 37.83 35.40 2ch4 s LYS 127 CO 0.26 0.02 0.53 -0.08 0.10 0.00 0.00 175.35 176.18 2ch4 s THR 128 N -3.18 -0.00 -0.76 3.79 -1.32 -1.26 -4.70 115.64 108.20 2ch4 s THR 128 Ca 0.10 0.01 -0.04 0.00 -1.21 0.00 0.00 61.69 60.54 2ch4 s THR 128 Cb 0.02 -0.74 0.04 0.00 -1.51 0.00 0.00 72.50 70.31 2ch4 s THR 128 CO -0.03 0.00 0.17 -0.90 -2.21 0.00 0.00 174.62 171.66 2ch4 n ASP 129 N 3.02 -2.47 -2.50 8.08 5.68 -1.26 -2.12 116.55 124.98 2ch4 n ASP 129 Ca -0.15 0.04 -0.01 0.00 -0.50 0.00 0.00 54.79 54.18 2ch4 n ASP 129 Cb 0.56 -2.15 0.00 0.00 -1.14 0.00 0.00 41.12 38.40 2ch4 n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ch4 n GLY 130 N -0.79 -0.85 3.14 6.12 0.00 -1.26 -5.08 105.19 106.47 2ch4 n GLY 130 Ca -0.03 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2ch4 n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ch4 s ARG 131 N -3.07 0.74 -0.58 1.61 1.81 -0.90 -5.06 118.95 113.49 2ch4 s ARG 131 Ca 0.02 -1.28 -0.02 0.00 -1.72 0.00 0.00 55.73 52.73 2ch4 s ARG 131 Cb -0.00 -0.05 0.28 0.00 -0.45 0.00 0.00 34.95 34.73 2ch4 s ARG 131 CO 0.47 -0.05 2.21 1.28 -0.68 0.00 0.00 175.30 178.54 2ch4 n LEU 132 N 0.05 7.09 -4.57 2.53 4.32 -1.26 -4.31 117.00 120.85 2ch4 n LEU 132 Ca -0.13 -4.15 -0.40 0.00 -0.02 0.00 0.00 56.01 51.31 2ch4 n LEU 132 Cb 0.61 -1.08 -0.03 0.00 -1.62 0.00 0.00 43.42 41.30 2ch4 n LEU 132 CO 0.29 1.55 1.53 -0.63 -1.22 0.00 0.00 177.39 178.92 2ch4 s ILE 133 N -3.68 3.45 -0.03 -0.08 1.01 -1.12 -4.41 121.20 116.35 2ch4 s ILE 133 Ca 0.53 0.35 -0.26 0.00 0.00 0.00 0.00 60.65 61.26 2ch4 s ILE 133 Cb 0.40 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2ch4 s ILE 133 CO -0.16 -0.82 0.83 -0.63 0.00 0.00 0.00 174.94 174.16 2ch4 s ILE 134 N 8.07 4.94 -0.98 2.92 1.09 -1.06 -1.77 121.20 134.40 2ch4 s ILE 134 Ca 0.68 1.73 -0.15 0.00 -1.10 0.00 0.00 60.65 61.81 2ch4 s ILE 134 Cb -0.15 -4.17 0.18 0.00 -1.06 0.00 0.00 42.46 37.26 2ch4 s ILE 134 CO 0.25 0.22 1.09 -0.47 -0.10 0.00 0.00 174.94 175.93 2ch4 s TYR 135 N 0.81 3.52 0.64 3.97 6.14 -1.08 -1.58 117.35 129.76 2ch4 s TYR 135 Ca 0.44 -1.87 -0.16 0.00 0.64 0.00 0.00 57.07 56.11 2ch4 s TYR 135 Cb -0.19 -4.11 -0.01 0.00 0.42 0.00 0.00 41.96 38.07 2ch4 s TYR 135 CO 0.23 -1.27 1.13 -0.51 0.64 0.00 0.00 175.55 175.77 2ch4 s LEU 136 N 1.28 3.48 -0.54 6.97 2.01 -0.86 -0.40 118.68 130.61 2ch4 s LEU 136 Ca 0.31 2.10 -0.10 0.00 0.01 0.00 0.00 54.13 56.45 2ch4 s LEU 136 Cb -0.06 -4.56 0.14 0.00 0.01 0.00 0.00 46.19 41.71 2ch4 s LEU 136 CO -0.07 -1.60 0.42 -0.62 1.01 0.00 0.00 176.35 175.49 2ch4 s ASP 137 N -2.28 5.84 0.00 2.29 -1.08 -1.03 -4.63 116.67 115.78 2ch4 s ASP 137 Ca 0.70 -2.09 0.00 0.00 -0.52 0.00 0.00 52.55 50.63 2ch4 s ASP 137 Cb -0.23 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 2ch4 s ASP 137 CO 0.38 -0.67 0.69 -0.38 0.52 0.00 0.00 175.17 175.72 2ch4 n ILE 138 N 4.69 0.00 -0.09 4.11 2.08 -1.26 -0.23 119.36 128.66 2ch4 n ILE 138 Ca -0.04 1.19 0.18 0.00 0.56 0.00 0.00 62.75 64.64 2ch4 n ILE 138 Cb 0.41 -2.07 0.28 0.00 -0.75 0.00 0.00 39.64 37.51 2ch4 n ILE 138 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2ch4 n ASP 139 N -1.26 0.00 -0.08 4.38 9.92 -1.26 0.40 116.55 128.64 2ch4 n ASP 139 Ca 0.00 0.56 -0.10 0.00 -0.53 0.00 0.00 54.79 54.73 2ch4 n ASP 139 Cb 0.00 -0.17 -0.04 0.00 -0.64 0.00 0.00 41.12 40.27 2ch4 n ASP 139 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2ch4 n LYS 140 N -2.70 0.49 -0.30 -1.24 4.81 -0.99 -3.37 118.16 114.87 2ch4 n LYS 140 Ca 0.15 0.53 0.10 0.00 -0.87 0.00 0.00 58.31 58.22 2ch4 n LYS 140 Cb 1.14 -1.70 0.33 0.00 0.02 0.00 0.00 35.03 34.83 2ch4 n LYS 140 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 2ch4 h ILE 141 N -1.00 0.87 -0.36 3.15 -0.00 0.32 0.15 117.51 120.63 2ch4 h ILE 141 Ca -0.10 -0.27 -0.02 0.00 -0.00 0.00 0.00 64.86 64.46 2ch4 h ILE 141 Cb 0.75 0.01 -0.02 0.00 -0.00 0.00 0.00 36.82 37.56 2ch4 h ILE 141 CO -0.06 0.14 0.15 0.40 -0.00 0.00 0.00 178.15 178.78 2ch4 h ILE 142 N 0.79 1.19 0.00 2.19 2.04 -0.86 -1.47 117.51 121.38 2ch4 h ILE 142 Ca 0.46 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2ch4 h ILE 142 Cb 0.63 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2ch4 h ILE 142 CO -0.22 0.20 -0.02 -0.08 0.00 0.00 0.00 178.15 178.03 2ch4 h GLU 143 N 0.43 0.00 -0.07 2.37 4.81 -0.84 0.24 114.58 121.53 2ch4 h GLU 143 Ca 0.12 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 2ch4 h GLU 143 Cb 0.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2ch4 h GLU 143 CO -0.01 0.02 -0.58 0.93 -0.73 0.00 0.00 179.01 178.64 2ch4 h GLU 144 N 0.00 0.21 0.05 1.92 4.39 0.18 -3.25 114.58 118.09 2ch4 h GLU 144 Ca -0.00 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 2ch4 h GLU 144 Cb 0.08 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2ch4 h GLU 144 CO 0.00 0.74 -0.42 0.82 -1.16 0.00 0.00 179.01 178.99 2ch4 h ILE 145 N 0.16 1.61 0.00 3.13 2.04 -0.14 -3.40 117.51 120.91 2ch4 h ILE 145 Ca -0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2ch4 h ILE 145 Cb 1.07 3.23 0.00 0.00 -0.74 0.00 0.00 36.82 40.38 2ch4 h ILE 145 CO 0.09 0.63 0.00 0.35 0.00 0.00 0.00 178.15 179.22 2ch4 n THR 146 N -4.40 0.00 0.00 -0.27 -2.24 -0.07 -5.12 114.28 102.18 2ch4 n THR 146 Ca -0.13 1.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.69 2ch4 n THR 146 Cb 0.63 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 2ch4 n THR 146 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02