#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1we8 n SER 2 N 0.00 -2.94 -1.02 1.61 2.88 -1.26 -5.17 113.62 107.72 1we8 n SER 2 Ca 0.00 0.72 0.10 0.00 -1.33 0.00 0.00 58.87 58.36 1we8 n SER 2 Cb 0.00 2.82 -0.06 0.00 -0.75 0.00 0.00 64.21 66.22 1we8 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1we8 n SER 3 N -3.35 -5.54 0.00 -3.46 7.64 -1.26 -5.07 113.62 102.58 1we8 n SER 3 Ca 0.00 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1we8 n SER 3 Cb 0.00 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 1we8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1we8 n GLY 4 N -3.38 -0.72 3.66 0.23 0.00 -1.26 -5.14 105.19 98.57 1we8 n GLY 4 Ca -0.06 0.41 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 1we8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1we8 s SER 5 N 0.00 6.29 -0.12 1.61 1.04 -1.26 -5.06 113.70 116.20 1we8 s SER 5 Ca 0.00 0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.68 1we8 s SER 5 Cb 0.00 -2.18 0.04 0.00 0.10 0.00 0.00 66.02 63.98 1we8 s SER 5 CO 0.00 -0.04 0.30 -0.55 0.98 0.00 0.00 173.24 173.93 1we8 s SER 6 N 1.15 -0.33 0.00 7.02 0.15 -1.26 -5.12 113.70 115.31 1we8 s SER 6 Ca 0.14 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1we8 s SER 6 Cb -0.14 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1we8 s SER 6 CO 0.07 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1we8 n GLY 7 N 3.71 -0.92 3.34 9.45 0.00 -1.26 -5.08 105.19 114.43 1we8 n GLY 7 Ca -0.20 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 1we8 n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1we8 s ILE 8 N -2.29 1.89 0.33 -0.61 -4.36 -1.26 -5.15 121.20 109.75 1we8 s ILE 8 Ca 0.00 -1.88 -0.10 0.00 -0.26 0.00 0.00 60.65 58.41 1we8 s ILE 8 Cb 0.00 -1.85 0.02 0.00 1.25 0.00 0.00 42.46 41.88 1we8 s ILE 8 CO 0.00 -0.24 0.57 -1.48 0.24 0.00 0.00 174.94 174.03 1we8 s LEU 9 N -2.55 0.50 0.00 0.37 2.34 -1.26 -4.96 118.68 113.12 1we8 s LEU 9 Ca 0.15 -1.21 0.00 0.00 0.06 0.00 0.00 54.13 53.13 1we8 s LEU 9 Cb -0.07 1.97 0.00 0.00 -0.56 0.00 0.00 46.19 47.54 1we8 s LEU 9 CO 0.07 -1.36 0.00 0.35 -1.06 0.00 0.00 176.35 174.34 1we8 n THR 10 N -0.50 0.00 -0.04 5.48 -2.24 -1.26 -4.96 114.28 110.76 1we8 n THR 10 Ca -0.02 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1we8 n THR 10 Cb 0.61 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1we8 n THR 10 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1we8 n GLU 11 N -1.65 4.14 0.00 -0.78 0.28 -1.26 -4.92 120.64 116.46 1we8 n GLU 11 Ca 0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1we8 n GLU 11 Cb 0.00 -0.43 0.00 0.00 1.43 0.00 0.00 31.44 32.44 1we8 n GLU 11 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1we8 n ASN 12 N -0.61 0.00 -4.46 -1.84 5.03 -1.26 -5.14 115.26 106.97 1we8 n ASN 12 Ca 0.00 0.00 -0.46 0.00 0.87 0.00 0.00 54.58 54.99 1we8 n ASN 12 Cb 0.01 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.75 1we8 n ASN 12 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1we8 n THR 13 N 0.00 1.89 -1.32 3.41 5.66 -1.26 -4.64 114.28 118.01 1we8 n THR 13 Ca 0.00 -0.50 -0.31 0.00 -3.05 0.00 0.00 64.05 60.19 1we8 n THR 13 Cb 0.00 -0.41 0.09 0.00 -1.55 0.00 0.00 70.33 68.46 1we8 n THR 13 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1we8 s PRO 14 N -1.27 2.32 0.07 1.09 0.04 -1.26 -3.84 135.00 132.15 1we8 s PRO 14 Ca 0.62 1.21 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 1we8 s PRO 14 Cb -0.79 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1we8 s PRO 14 CO 0.58 -1.60 0.14 0.08 0.04 0.00 0.00 177.00 176.24 1we8 s VAL 15 N -2.82 0.16 -0.04 -0.36 1.01 0.62 -4.86 120.40 114.10 1we8 s VAL 15 Ca 0.62 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1we8 s VAL 15 Cb -0.18 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1we8 s VAL 15 CO 0.54 -0.72 -0.02 0.12 0.00 0.00 0.00 175.10 175.02 1we8 s PHE 16 N -3.74 0.57 0.07 5.22 2.19 -1.26 -0.83 117.98 120.20 1we8 s PHE 16 Ca 0.04 -0.12 0.03 0.00 0.33 0.00 0.00 56.93 57.21 1we8 s PHE 16 Cb 0.05 -0.59 -0.03 0.00 -1.31 0.00 0.00 43.02 41.14 1we8 s PHE 16 CO -0.10 -0.19 -0.10 -2.00 1.83 0.00 0.00 175.22 174.66 1we8 s GLU 17 N 1.12 0.69 -0.06 10.12 -6.30 0.14 -4.99 118.70 119.42 1we8 s GLU 17 Ca -0.08 -0.94 0.05 0.00 -2.50 0.00 0.00 54.97 51.50 1we8 s GLU 17 Cb -0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 34.13 33.53 1we8 s GLU 17 CO -0.01 0.08 -0.22 -0.65 0.02 0.00 0.00 175.26 174.48 1we8 s GLN 18 N -2.09 2.27 -0.12 4.30 -0.21 -1.26 0.27 119.66 122.82 1we8 s GLN 18 Ca -0.03 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.57 1we8 s GLN 18 Cb -0.07 -1.91 0.03 0.00 1.00 0.00 0.00 33.01 32.05 1we8 s GLN 18 CO 0.00 0.30 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.90 1we8 s LEU 19 N -0.02 1.26 -0.27 2.90 1.02 0.53 -4.96 118.68 119.14 1we8 s LEU 19 Ca -0.05 -0.38 -0.20 0.00 0.02 0.00 0.00 54.13 53.51 1we8 s LEU 19 Cb -0.13 -0.84 -0.02 0.00 0.02 0.00 0.00 46.19 45.22 1we8 s LEU 19 CO 0.04 -0.14 0.62 -0.94 0.02 0.00 0.00 176.35 175.94 1we8 s SER 20 N 1.71 6.55 0.14 2.29 1.04 -1.26 0.11 113.70 124.27 1we8 s SER 20 Ca 0.04 0.63 0.11 0.00 0.48 0.00 0.00 55.95 57.21 1we8 s SER 20 Cb -0.13 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 1we8 s SER 20 CO -0.08 -0.38 -0.25 0.68 0.98 0.00 0.00 173.24 174.19 1we8 s VAL 21 N 2.51 2.37 0.54 5.02 -7.23 0.23 -4.96 120.40 118.87 1we8 s VAL 21 Ca 0.25 -1.79 -0.19 0.00 -1.81 0.00 0.00 61.98 58.44 1we8 s VAL 21 Cb -0.15 -2.07 -0.06 0.00 0.56 0.00 0.00 36.38 34.65 1we8 s VAL 21 CO 0.09 0.04 1.13 -2.16 -0.31 0.00 0.00 175.10 173.89 1we8 s PRO 22 N -2.22 3.36 0.15 4.82 0.04 -1.26 0.24 135.00 140.13 1we8 s PRO 22 Ca 0.16 1.61 0.21 0.00 0.04 0.00 0.00 61.00 63.01 1we8 s PRO 22 Cb -0.10 -2.01 0.85 0.00 0.04 0.00 0.00 34.50 33.28 1we8 s PRO 22 CO 0.07 -0.84 1.63 0.00 0.04 0.00 0.00 177.00 177.90 1we8 n GLN 23 N -1.30 0.12 0.07 4.56 10.64 -1.17 -0.71 117.38 129.59 1we8 n GLN 23 Ca 0.12 0.33 -0.12 0.00 -1.83 0.00 0.00 57.00 55.50 1we8 n GLN 23 Cb 0.51 -1.72 -0.13 0.00 -0.86 0.00 0.00 30.24 28.04 1we8 n GLN 23 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 1we8 h ARG 24 N 0.00 0.13 0.00 2.61 0.11 -1.91 -3.33 114.38 111.98 1we8 h ARG 24 Ca 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1we8 h ARG 24 Cb 0.35 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1we8 h ARG 24 CO 0.00 1.03 -1.30 0.43 0.10 0.00 0.00 179.97 180.23 1we8 n SER 25 N -3.39 0.70 0.30 0.08 7.64 -1.04 -4.29 113.62 113.63 1we8 n SER 25 Ca -0.07 -0.63 0.18 0.00 1.01 0.00 0.00 58.87 59.36 1we8 n SER 25 Cb 1.00 1.34 1.00 0.00 -1.01 0.00 0.00 64.21 66.53 1we8 n SER 25 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1we8 h VAL 26 N 0.00 0.32 0.00 0.44 3.04 -1.03 0.57 116.25 119.59 1we8 h VAL 26 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1we8 h VAL 26 Cb 0.64 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1we8 h VAL 26 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.57 177.79 1we8 h GLY 27 N 0.00 0.00 0.06 3.17 0.00 -1.75 -2.06 103.07 102.49 1we8 h GLY 27 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.98 1we8 h GLY 27 CO -0.00 0.00 -2.34 -2.13 0.00 0.00 0.00 176.54 172.07 1we8 n ARG 28 N -2.60 0.69 -0.06 4.80 3.00 0.13 -3.12 116.66 119.50 1we8 n ARG 28 Ca 0.04 0.01 -0.14 0.00 -0.00 0.00 0.00 57.85 57.75 1we8 n ARG 28 Cb 0.39 -1.54 -0.12 0.00 0.00 0.00 0.00 32.46 31.19 1we8 n ARG 28 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1we8 h ILE 29 N 0.00 1.72 0.00 5.15 2.04 -1.40 -3.33 117.51 121.69 1we8 h ILE 29 Ca -0.53 -2.14 -0.11 0.00 1.00 0.00 0.00 64.86 63.09 1we8 h ILE 29 Cb 2.22 3.17 -0.02 0.00 -0.74 0.00 0.00 36.82 41.46 1we8 h ILE 29 CO 0.03 0.56 -0.52 0.40 0.00 0.00 0.00 178.15 178.62 1we8 h ILE 30 N -0.89 0.91 0.00 -0.67 2.04 -1.61 -3.28 117.51 114.02 1we8 h ILE 30 Ca -0.00 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1we8 h ILE 30 Cb 0.92 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1we8 h ILE 30 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.27 1we8 n GLY 31 N 1.12 -0.36 0.07 5.37 0.00 -1.18 -1.54 105.19 108.66 1we8 n GLY 31 Ca 0.02 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.34 1we8 n GLY 31 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1we8 h ARG 32 N 0.00 0.00 0.00 1.61 0.11 -1.95 -3.42 114.38 110.73 1we8 h ARG 32 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1we8 h ARG 32 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1we8 h ARG 32 CO 0.00 0.95 0.00 0.41 0.10 0.00 0.00 179.97 181.43 1we8 n GLY 33 N 1.28 0.80 0.00 0.08 0.00 -1.26 -4.99 105.19 101.10 1we8 n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1we8 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1we8 n GLY 34 N 0.00 1.47 0.51 -0.02 0.00 -0.59 -4.95 105.19 101.62 1we8 n GLY 34 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.30 1we8 n GLY 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1we8 h GLU 35 N 0.16 0.00 0.04 1.61 -0.00 -1.94 1.54 114.58 115.99 1we8 h GLU 35 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 59.36 59.03 1we8 h GLU 35 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.71 1we8 h GLU 35 CO 0.00 0.00 -1.92 2.41 -0.00 0.00 0.00 179.01 179.50 1we8 n THR 36 N -3.35 1.64 0.18 -1.06 -1.04 -1.05 -3.53 114.28 106.05 1we8 n THR 36 Ca 0.21 -0.74 0.06 0.00 -2.04 0.00 0.00 64.05 61.53 1we8 n THR 36 Cb 1.38 -1.22 0.22 0.00 -1.82 0.00 0.00 70.33 68.88 1we8 n THR 36 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1we8 h ILE 37 N 0.02 0.75 0.08 12.58 6.09 0.22 -3.18 117.51 134.08 1we8 h ILE 37 Ca -0.38 -1.72 -0.25 0.00 -1.37 0.00 0.00 64.86 61.15 1we8 h ILE 37 Cb 2.04 2.12 -0.01 0.00 0.47 0.00 0.00 36.82 41.44 1we8 h ILE 37 CO 0.07 0.37 -1.14 0.03 -3.07 0.00 0.00 178.15 174.41 1we8 h ARG 38 N 0.00 0.18 0.00 2.19 3.08 -0.45 -3.18 114.38 116.19 1we8 h ARG 38 Ca -0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1we8 h ARG 38 Cb 1.09 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1we8 h ARG 38 CO 0.05 1.13 0.00 0.77 -1.07 0.00 0.00 179.97 180.85 1we8 h SER 39 N 0.05 0.00 0.18 7.04 0.02 -1.59 -2.90 113.55 116.36 1we8 h SER 39 Ca -0.09 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.55 1we8 h SER 39 Cb 1.87 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.43 1we8 h SER 39 CO 0.18 0.00 -1.52 0.40 -1.14 0.00 0.00 176.83 174.74 1we8 h ILE 40 N 0.00 1.09 -0.20 3.27 2.04 -1.57 -2.74 117.51 119.40 1we8 h ILE 40 Ca 0.00 -2.53 -0.03 0.00 1.00 0.00 0.00 64.86 63.30 1we8 h ILE 40 Cb 0.36 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1we8 h ILE 40 CO 0.00 0.80 0.00 0.00 0.00 0.00 0.00 178.15 178.96 1we8 h LYS 42 N 0.28 0.41 -0.37 0.00 2.10 -1.65 1.25 116.57 118.59 1we8 h LYS 42 Ca 0.07 -0.70 -0.12 0.00 -2.00 0.00 0.00 60.65 57.90 1we8 h LYS 42 Cb 0.19 0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 1we8 h LYS 42 CO 0.00 1.32 -0.25 0.00 -2.00 0.00 0.00 179.45 178.53 1we8 h ALA 43 N 0.34 0.86 0.00 0.07 0.00 -1.14 -3.29 119.26 116.10 1we8 h ALA 43 Ca -0.22 -0.38 -0.37 0.00 0.00 0.00 0.00 54.91 53.94 1we8 h ALA 43 Cb 2.08 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.66 1we8 h ALA 43 CO 0.23 0.63 -2.37 -1.13 0.00 0.00 0.00 179.25 176.61 1we8 n SER 44 N -4.10 0.73 0.00 0.00 3.41 0.01 -5.00 113.62 108.66 1we8 n SER 44 Ca -0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1we8 n SER 44 Cb 0.44 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1we8 n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1we8 n GLY 45 N 1.91 1.79 3.89 5.00 0.00 0.43 -4.50 105.19 113.71 1we8 n GLY 45 Ca -0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1we8 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1we8 s ALA 46 N -2.48 3.37 -0.11 4.61 0.00 -1.13 -4.88 121.76 121.14 1we8 s ALA 46 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.35 1we8 s ALA 46 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 1we8 s ALA 46 CO 0.00 -0.27 0.63 0.15 0.00 0.00 0.00 175.76 176.27 1we8 s LYS 47 N -4.49 4.36 -0.25 0.00 -0.14 0.29 -4.10 119.74 115.40 1we8 s LYS 47 Ca 0.49 0.71 -0.01 0.00 -1.36 0.00 0.00 55.97 55.80 1we8 s LYS 47 Cb -0.10 -3.47 0.03 0.00 -1.68 0.00 0.00 37.83 32.60 1we8 s LYS 47 CO 0.41 0.02 -0.06 0.42 -0.76 0.00 0.00 175.35 175.38 1we8 s ILE 48 N 1.00 2.82 0.02 2.17 -1.09 -1.25 -1.09 121.20 123.77 1we8 s ILE 48 Ca 0.33 -1.10 0.04 0.00 -2.23 0.00 0.00 60.65 57.69 1we8 s ILE 48 Cb -0.17 -2.46 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1we8 s ILE 48 CO 0.14 0.16 -0.12 0.28 -1.23 0.00 0.00 174.94 174.17 1we8 s THR 49 N 1.30 0.98 0.19 2.92 -1.32 -0.50 -4.90 115.64 114.31 1we8 s THR 49 Ca -0.01 -0.76 -0.09 0.00 -1.21 0.00 0.00 61.69 59.62 1we8 s THR 49 Cb -0.17 -0.86 -0.07 0.00 -1.51 0.00 0.00 72.50 69.89 1we8 s THR 49 CO -0.04 0.10 0.49 0.00 -2.21 0.00 0.00 174.62 172.96 1we8 n ASP 51 N 0.10 -5.25 0.00 0.00 2.03 -0.97 -4.92 116.55 107.54 1we8 n ASP 51 Ca -0.02 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1we8 n ASP 51 Cb 0.52 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1we8 n ASP 51 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1we8 n LYS 52 N 2.17 0.00 -0.60 -0.67 -0.00 -1.26 -4.81 118.16 112.99 1we8 n LYS 52 Ca -0.00 0.00 0.47 0.00 -0.00 0.00 0.00 58.31 58.77 1we8 n LYS 52 Cb 0.50 -0.25 0.74 0.00 -0.00 0.00 0.00 35.03 36.02 1we8 n LYS 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1we8 n GLU 53 N -2.38 -0.01 -3.74 -1.58 -0.58 -1.26 -2.90 120.64 108.19 1we8 n GLU 53 Ca 0.00 1.09 -0.37 0.00 -0.42 0.00 0.00 57.16 57.46 1we8 n GLU 53 Cb 0.12 -2.37 -0.10 0.00 -0.57 0.00 0.00 31.44 28.51 1we8 n GLU 53 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1we8 s SER 54 N -4.02 5.28 0.80 1.62 1.04 -1.26 -5.09 113.70 112.08 1we8 s SER 54 Ca -0.06 -2.40 -0.16 0.00 0.48 0.00 0.00 55.95 53.81 1we8 s SER 54 Cb 0.27 -1.85 -0.07 0.00 0.10 0.00 0.00 66.02 64.47 1we8 s SER 54 CO 0.83 -0.47 0.07 1.21 0.98 0.00 0.00 173.24 175.85 1we8 n GLU 55 N 4.11 0.06 -1.33 4.02 2.13 -1.14 -4.79 120.64 123.70 1we8 n GLU 55 Ca 0.02 0.05 -0.27 0.00 0.66 0.00 0.00 57.16 57.62 1we8 n GLU 55 Cb 0.40 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.53 1we8 n GLU 55 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1we8 n GLY 56 N 2.21 3.95 0.00 8.31 0.00 -1.26 -4.66 105.19 113.74 1we8 n GLY 56 Ca 0.06 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1we8 n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1we8 n THR 57 N 2.43 0.00 -2.21 2.61 -1.04 -1.26 -4.78 114.28 110.03 1we8 n THR 57 Ca 0.58 1.01 -0.03 0.00 -2.04 0.00 0.00 64.05 63.57 1we8 n THR 57 Cb 0.54 -1.91 -0.03 0.00 -1.82 0.00 0.00 70.33 67.12 1we8 n THR 57 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1we8 n LEU 58 N -1.52 -0.37 -3.98 -4.42 7.94 -1.26 -5.14 117.00 108.25 1we8 n LEU 58 Ca 0.00 -2.10 -0.15 0.00 -1.11 0.00 0.00 56.01 52.65 1we8 n LEU 58 Cb 0.00 0.02 0.14 0.00 0.53 0.00 0.00 43.42 44.11 1we8 n LEU 58 CO 0.00 1.21 0.14 0.00 -1.11 0.00 0.00 177.39 177.63 1we8 n LEU 59 N 0.04 -1.20 -0.10 -1.96 -0.00 -1.26 -4.98 117.00 107.53 1we8 n LEU 59 Ca -0.17 -0.41 -0.16 0.00 -0.00 0.00 0.00 56.01 55.27 1we8 n LEU 59 Cb 0.84 -0.74 -0.09 0.00 -0.00 0.00 0.00 43.42 43.43 1we8 n LEU 59 CO -0.11 -3.26 -1.19 -0.11 -0.00 0.00 0.00 177.39 172.72 1we8 n LEU 60 N -1.19 2.67 -4.04 1.47 0.00 -1.26 -5.01 117.00 109.65 1we8 n LEU 60 Ca 0.06 -0.03 -0.15 0.00 0.00 0.00 0.00 56.01 55.90 1we8 n LEU 60 Cb 0.30 -0.71 -0.13 0.00 0.00 0.00 0.00 43.42 42.88 1we8 n LEU 60 CO 0.20 0.76 -0.41 -0.44 0.00 0.00 0.00 177.39 177.50 1we8 s SER 61 N -6.22 0.85 0.53 1.96 0.01 -1.26 -3.03 113.70 106.54 1we8 s SER 61 Ca -0.28 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1we8 s SER 61 Cb 0.08 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.32 1we8 s SER 61 CO 0.46 -0.10 0.76 -0.13 0.41 0.00 0.00 173.24 174.64 1we8 s ARG 62 N -1.08 2.73 0.12 12.44 1.81 0.66 -4.80 118.95 130.82 1we8 s ARG 62 Ca -0.05 -0.61 0.05 0.00 -1.72 0.00 0.00 55.73 53.40 1we8 s ARG 62 Cb -0.07 -2.48 -0.04 0.00 -0.45 0.00 0.00 34.95 31.91 1we8 s ARG 62 CO 0.00 -0.58 -0.13 -1.17 -0.68 0.00 0.00 175.30 172.74 1we8 s LEU 63 N -4.73 2.41 0.10 2.53 0.20 -1.26 0.76 118.68 118.69 1we8 s LEU 63 Ca 0.54 -0.83 0.04 0.00 0.69 0.00 0.00 54.13 54.57 1we8 s LEU 63 Cb -0.10 -0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 45.15 1we8 s LEU 63 CO 0.39 -0.19 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.52 1we8 s ILE 64 N -2.31 1.00 -0.18 6.68 -1.09 0.29 -2.28 121.20 123.31 1we8 s ILE 64 Ca 0.09 -1.59 -0.00 0.00 -2.23 0.00 0.00 60.65 56.92 1we8 s ILE 64 Cb -0.04 -1.31 0.05 0.00 -1.58 0.00 0.00 42.46 39.57 1we8 s ILE 64 CO 0.02 -0.49 -0.05 -0.54 -1.23 0.00 0.00 174.94 172.65 1we8 s LYS 65 N -2.60 1.41 -0.30 2.79 1.02 0.57 -0.35 119.74 122.29 1we8 s LYS 65 Ca 0.04 -0.58 -0.10 0.00 0.02 0.00 0.00 55.97 55.35 1we8 s LYS 65 Cb -0.04 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1we8 s LYS 65 CO 0.01 -0.47 0.15 0.42 -0.92 0.00 0.00 175.35 174.54 1we8 s ILE 66 N 1.61 4.70 0.16 2.17 1.01 0.14 -1.40 121.20 129.59 1we8 s ILE 66 Ca -0.00 -0.29 0.11 0.00 0.00 0.00 0.00 60.65 60.47 1we8 s ILE 66 Cb -0.16 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1we8 s ILE 66 CO -0.07 0.13 -0.25 -0.94 0.00 0.00 0.00 174.94 173.80 1we8 s SER 67 N 1.64 3.29 0.00 3.58 1.04 -0.25 0.23 113.70 123.23 1we8 s SER 67 Ca 0.05 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1we8 s SER 67 Cb -0.17 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.73 1we8 s SER 67 CO 0.07 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1we8 n GLY 68 N 0.60 0.72 3.79 7.32 0.00 -0.01 -0.55 105.19 117.06 1we8 n GLY 68 Ca -0.15 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 1we8 n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1we8 s THR 69 N -2.69 3.85 0.45 2.61 -4.23 -1.26 0.23 115.64 114.60 1we8 s THR 69 Ca 0.00 1.40 0.40 0.00 -1.18 0.00 0.00 61.69 62.31 1we8 s THR 69 Cb 0.00 -3.71 0.59 0.00 1.34 0.00 0.00 72.50 70.72 1we8 s THR 69 CO 0.00 -0.01 1.34 1.67 -0.54 0.00 0.00 174.62 177.09 1we8 n GLN 70 N -0.05 -0.01 0.10 3.99 -0.06 -1.25 0.12 117.38 120.22 1we8 n GLN 70 Ca 0.05 0.97 -0.13 0.00 -2.00 0.00 0.00 57.00 55.89 1we8 n GLN 70 Cb 0.50 -2.15 -0.08 0.00 -4.06 0.00 0.00 30.24 24.45 1we8 n GLN 70 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1we8 h LYS 71 N 0.00 -0.28 0.08 3.69 1.79 -1.93 -2.75 116.57 117.17 1we8 h LYS 71 Ca 0.80 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 59.28 1we8 h LYS 71 Cb 3.06 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 33.78 1we8 h LYS 71 CO -0.11 0.08 -0.04 0.93 -1.08 0.00 0.00 179.45 179.23 1we8 h GLU 72 N -0.71 -0.11 -1.44 3.15 4.39 0.66 0.27 114.58 120.79 1we8 h GLU 72 Ca -0.03 0.01 0.42 0.00 0.34 0.00 0.00 59.36 60.10 1we8 h GLU 72 Cb 0.49 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 1we8 h GLU 72 CO 0.05 -0.07 1.31 0.28 -1.16 0.00 0.00 179.01 179.42 1we8 n VAL 73 N -2.38 0.00 0.02 3.13 0.31 -0.64 0.20 118.33 118.97 1we8 n VAL 73 Ca -0.01 1.35 -0.20 0.00 -0.01 0.00 0.00 64.34 65.47 1we8 n VAL 73 Cb 0.04 -2.35 -0.14 0.00 -0.91 0.00 0.00 33.84 30.49 1we8 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1we8 h ALA 74 N 0.72 0.43 0.10 3.52 0.00 -1.35 -3.29 119.26 119.39 1we8 h ALA 74 Ca 0.68 -1.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1we8 h ALA 74 Cb 3.30 0.61 0.00 0.00 0.00 0.00 0.00 17.79 21.70 1we8 h ALA 74 CO -0.01 1.30 -0.05 0.00 0.00 0.00 0.00 179.25 180.49 1we8 h ALA 75 N 0.24 -0.13 -0.95 0.00 0.00 0.59 -3.30 119.26 115.71 1we8 h ALA 75 Ca -0.38 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 54.54 1we8 h ALA 75 Cb 2.04 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.81 1we8 h ALA 75 CO 0.11 -0.16 0.63 0.00 0.00 0.00 0.00 179.25 179.83 1we8 h ALA 76 N -0.48 2.33 -0.66 0.00 0.00 -0.09 0.24 119.26 120.61 1we8 h ALA 76 Ca -0.01 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1we8 h ALA 76 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1we8 h ALA 76 CO 0.02 -0.65 0.44 -0.22 0.00 0.00 0.00 179.25 178.84 1we8 h LYS 77 N 0.34 0.52 -0.04 0.00 3.64 -1.63 -1.33 116.57 118.06 1we8 h LYS 77 Ca 0.50 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.74 1we8 h LYS 77 Cb 1.37 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1we8 h LYS 77 CO -0.18 0.34 -0.42 1.25 -2.27 0.00 0.00 179.45 178.17 1we8 h HIS 78 N 0.53 0.50 -0.79 1.91 2.76 -0.63 -3.06 115.15 116.38 1we8 h HIS 78 Ca 0.30 -0.24 0.08 0.00 -2.20 0.00 0.00 60.37 58.30 1we8 h HIS 78 Cb 0.47 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.30 1we8 h HIS 78 CO -0.00 1.02 0.46 -0.07 -1.30 0.00 0.00 177.93 178.04 1we8 h LEU 79 N -0.16 0.68 -1.50 0.26 3.38 -1.18 -0.35 115.31 116.44 1we8 h LEU 79 Ca -0.04 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1we8 h LEU 79 Cb 1.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1we8 h LEU 79 CO 0.08 0.41 -0.11 0.40 0.09 0.00 0.00 178.44 179.32 1we8 h ILE 80 N 0.81 1.15 -0.08 1.22 2.04 -1.32 -2.44 117.51 118.89 1we8 h ILE 80 Ca 0.36 -0.67 -0.19 0.00 1.00 0.00 0.00 64.86 65.37 1we8 h ILE 80 Cb 0.27 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1we8 h ILE 80 CO -0.21 0.21 -0.74 -0.07 0.00 0.00 0.00 178.15 177.34 1we8 h LEU 81 N 0.18 0.49 -2.02 1.44 3.38 -1.00 -3.04 115.31 114.74 1we8 h LEU 81 Ca 0.04 -0.32 0.12 0.00 0.09 0.00 0.00 57.88 57.81 1we8 h LEU 81 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1we8 h LEU 81 CO 0.02 1.07 0.41 -0.33 0.09 0.00 0.00 178.44 179.69 1we8 h GLU 82 N 0.28 0.00 0.15 1.13 5.08 -0.74 0.04 114.58 120.52 1we8 h GLU 82 Ca -0.03 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 1we8 h GLU 82 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1we8 h GLU 82 CO 0.13 0.00 -1.74 0.87 -1.00 0.00 0.00 179.01 177.27 1we8 h LYS 83 N 0.00 0.32 -0.39 2.33 6.56 -1.58 -3.23 116.57 120.58 1we8 h LYS 83 Ca 0.20 -0.54 -0.01 0.00 -1.06 0.00 0.00 60.65 59.25 1we8 h LYS 83 Cb 1.02 0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 32.86 1we8 h LYS 83 CO -0.00 1.21 0.22 0.28 -2.06 0.00 0.00 179.45 179.09 1we8 h VAL 84 N 0.09 1.12 0.00 0.50 2.07 -0.96 -1.62 116.25 117.45 1we8 h VAL 84 Ca -0.33 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1we8 h VAL 84 Cb 2.06 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1we8 h VAL 84 CO 0.15 0.13 -0.70 0.28 0.02 0.00 0.00 177.57 177.45 1we8 h SER 85 N 0.53 0.00 0.68 0.57 0.02 -1.43 -2.52 113.55 111.41 1we8 h SER 85 Ca 0.14 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1we8 h SER 85 Cb 0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1we8 h SER 85 CO -0.02 0.70 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.71 1we8 h GLU 86 N 0.00 -0.88 0.00 3.45 5.08 -1.32 -2.48 114.58 118.43 1we8 h GLU 86 Ca -0.01 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1we8 h GLU 86 Cb 1.34 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 1we8 h GLU 86 CO 0.09 -0.59 -0.11 0.22 -1.00 0.00 0.00 179.01 177.63 1we8 h ASP 87 N -1.12 0.00 -0.31 1.42 1.82 -1.60 0.17 116.42 116.81 1we8 h ASP 87 Ca -0.09 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.48 1we8 h ASP 87 Cb 0.70 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.69 1we8 h ASP 87 CO 0.15 0.11 -0.03 -0.08 -1.61 0.00 0.00 179.24 177.78 1we8 h GLU 88 N 0.00 0.68 0.00 0.28 4.81 -1.36 -2.99 114.58 116.00 1we8 h GLU 88 Ca -0.00 -0.18 -0.24 0.00 -0.13 0.00 0.00 59.36 58.80 1we8 h GLU 88 Cb 0.26 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1we8 h GLU 88 CO 0.01 0.72 -1.45 -1.91 -0.73 0.00 0.00 179.01 175.65 1we8 n GLU 89 N -4.22 0.55 -0.30 1.92 2.13 -0.82 -4.03 120.64 115.88 1we8 n GLU 89 Ca 0.02 0.48 0.21 0.00 0.66 0.00 0.00 57.16 58.52 1we8 n GLU 89 Cb 0.30 -1.66 0.39 0.00 0.27 0.00 0.00 31.44 30.73 1we8 n GLU 89 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1we8 n LEU 90 N -4.42 0.09 -0.20 4.31 -0.00 0.52 0.23 117.00 117.54 1we8 n LEU 90 Ca -0.33 1.51 -0.08 0.00 -0.00 0.00 0.00 56.01 57.11 1we8 n LEU 90 Cb 0.67 -0.64 0.06 0.00 -0.00 0.00 0.00 43.42 43.51 1we8 n LEU 90 CO 0.14 -1.60 0.85 0.03 -0.00 0.00 0.00 177.39 176.81 1we8 h ARG 91 N 0.00 1.04 -0.14 1.47 3.08 -1.71 -2.88 114.38 115.24 1we8 h ARG 91 Ca 0.65 -0.31 -0.16 0.00 0.07 0.00 0.00 59.98 60.23 1we8 h ARG 91 Cb 1.55 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 1we8 h ARG 91 CO -0.77 1.00 -0.59 0.87 -1.07 0.00 0.00 179.97 179.41 1we8 h LYS 92 N 0.96 0.45 0.00 0.04 1.57 0.28 -2.04 116.57 117.83 1we8 h LYS 92 Ca 0.18 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1we8 h LYS 92 Cb 0.51 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1we8 h LYS 92 CO 0.02 0.91 -0.01 0.00 -0.57 0.00 0.00 179.45 179.80 1we8 h ARG 93 N 0.34 0.00 0.02 3.15 3.08 -0.19 0.26 114.38 121.04 1we8 h ARG 93 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1we8 h ARG 93 Cb 1.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1we8 h ARG 93 CO 0.10 0.01 -1.77 -0.89 -1.07 0.00 0.00 179.97 176.36 1we8 n ILE 94 N -3.53 1.57 -0.16 2.04 5.41 -1.10 -4.43 119.36 119.16 1we8 n ILE 94 Ca -0.03 -0.24 -0.09 0.00 1.00 0.00 0.00 62.75 63.39 1we8 n ILE 94 Cb 0.10 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 1we8 n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1we8 h ALA 95 N -0.51 0.61 -3.03 -1.39 0.00 -1.16 -3.41 119.26 110.37 1we8 h ALA 95 Ca -0.46 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 53.71 1we8 h ALA 95 Cb 1.53 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 1we8 h ALA 95 CO -0.21 0.22 -0.26 -1.01 0.00 0.00 0.00 179.25 177.99 1we8 s HIS 96 N -5.53 3.47 -0.31 0.00 3.76 0.89 -5.04 115.29 112.52 1we8 s HIS 96 Ca -0.13 0.69 0.01 0.00 -0.15 0.00 0.00 55.06 55.47 1we8 s HIS 96 Cb 0.11 -2.43 0.14 0.00 1.11 0.00 0.00 32.58 31.52 1we8 s HIS 96 CO 0.77 0.19 0.32 0.45 -0.85 0.00 0.00 174.74 175.62 1we8 s SER 97 N 0.57 1.55 0.00 1.40 0.15 -1.26 -4.60 113.70 111.51 1we8 s SER 97 Ca 0.20 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.87 1we8 s SER 97 Cb -0.14 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1we8 s SER 97 CO 0.06 -0.36 0.00 0.00 1.20 0.00 0.00 173.24 174.15 1we8 n ALA 98 N 5.03 1.60 -2.43 5.45 0.00 -1.26 -5.15 120.51 123.74 1we8 n ALA 98 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1we8 n ALA 98 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 1we8 n ALA 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1we8 s SER 99 N -3.55 2.27 0.25 0.00 0.15 -1.26 -5.16 113.70 106.41 1we8 s SER 99 Ca 0.00 -1.65 -0.04 0.00 0.70 0.00 0.00 55.95 54.97 1we8 s SER 99 Cb 0.00 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1we8 s SER 99 CO 0.00 -0.93 0.50 -0.83 1.20 0.00 0.00 173.24 173.18 1we8 s GLY 100 N -3.50 1.87 0.40 9.45 0.00 -1.26 -5.07 107.32 109.20 1we8 s GLY 100 Ca 0.30 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 44.14 1we8 s GLY 100 CO 0.17 -0.54 1.19 2.56 0.00 0.00 0.00 173.10 176.48 1we8 s PRO 101 N -3.42 4.05 -0.01 2.90 0.04 -1.26 -5.05 135.00 132.26 1we8 s PRO 101 Ca 0.42 1.89 0.07 0.00 0.04 0.00 0.00 61.00 63.43 1we8 s PRO 101 Cb -0.11 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 1we8 s PRO 101 CO 0.29 -0.34 -0.23 0.45 0.04 0.00 0.00 177.00 177.21 1we8 s SER 102 N -1.06 2.76 -0.19 6.66 0.15 -1.26 -4.93 113.70 115.82 1we8 s SER 102 Ca 0.57 -0.44 -0.04 0.00 0.70 0.00 0.00 55.95 56.73 1we8 s SER 102 Cb -0.32 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 63.71 1we8 s SER 102 CO 0.40 0.28 0.09 -0.24 1.20 0.00 0.00 173.24 174.97 1we8 n SER 103 N 2.40 -3.89 0.00 5.45 2.88 -1.26 -5.34 113.62 113.85 1we8 n SER 103 Ca -0.16 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1we8 n SER 103 Cb 0.52 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 1we8 n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42