#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 0.00 -3.91 1.61 2.88 -1.26 -5.15 113.62 107.79 1we8 n SER 2 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1we8 n SER 2 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1we8 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1we8 s SER 3 N 0.00 2.17 -0.12 -3.46 0.15 -1.26 -4.97 113.70 106.22 1we8 s SER 3 Ca 0.00 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.39 1we8 s SER 3 Cb 0.00 -0.84 0.12 0.00 -1.71 0.00 0.00 66.02 63.60 1we8 s SER 3 CO 0.00 -0.12 0.84 0.61 1.20 0.00 0.00 173.24 175.77 1we8 n GLY 4 N 4.93 -0.08 3.38 9.45 0.00 -1.26 -5.15 105.19 116.46 1we8 n GLY 4 Ca -0.13 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1we8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1we8 n SER 5 N -0.48 -1.91 -3.62 1.61 7.64 -1.26 -5.00 113.62 110.60 1we8 n SER 5 Ca -0.07 0.80 -0.11 0.00 1.01 0.00 0.00 58.87 60.50 1we8 n SER 5 Cb 0.62 -1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 62.73 1we8 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1we8 s SER 6 N -1.02 -0.50 -0.38 6.43 0.01 -1.26 -5.13 113.70 111.85 1we8 s SER 6 Ca 0.62 0.88 0.02 0.00 1.31 0.00 0.00 55.95 58.79 1we8 s SER 6 Cb -0.55 0.86 0.11 0.00 0.21 0.00 0.00 66.02 66.65 1we8 s SER 6 CO 0.60 -0.23 0.13 -0.83 0.41 0.00 0.00 173.24 173.32 1we8 s GLY 7 N -0.06 1.71 -0.37 3.44 0.00 -1.26 -5.06 107.32 105.71 1we8 s GLY 7 Ca 0.01 -2.40 0.04 0.00 0.00 0.00 0.00 44.72 42.36 1we8 s GLY 7 CO -0.03 1.27 0.10 -0.26 0.00 0.00 0.00 173.10 174.18 1we8 s ILE 8 N 0.83 2.19 0.32 0.90 -4.36 -1.26 -5.07 121.20 114.74 1we8 s ILE 8 Ca 0.13 -2.45 -0.19 0.00 -0.26 0.00 0.00 60.65 57.89 1we8 s ILE 8 Cb -0.21 -2.60 0.04 0.00 1.25 0.00 0.00 42.46 40.94 1we8 s ILE 8 CO -0.10 -0.65 0.77 -0.76 0.24 0.00 0.00 174.94 174.43 1we8 s LEU 9 N 0.74 -0.13 -0.00 0.37 1.02 -1.26 -4.96 118.68 114.45 1we8 s LEU 9 Ca 0.12 -0.85 -0.00 0.00 0.02 0.00 0.00 54.13 53.41 1we8 s LEU 9 Cb -0.20 2.76 -0.00 0.00 0.02 0.00 0.00 46.19 48.77 1we8 s LEU 9 CO -0.08 -1.49 -0.01 0.35 0.02 0.00 0.00 176.35 175.14 1we8 n THR 10 N -0.50 0.07 0.00 5.49 -2.24 -1.26 -4.97 114.28 110.88 1we8 n THR 10 Ca -0.06 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1we8 n THR 10 Cb 0.59 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -2.58 2.37 0.00 -0.78 0.28 -1.26 -4.94 120.64 113.73 1we8 n GLU 11 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1we8 n GLU 11 Cb 0.01 -0.83 0.00 0.00 1.43 0.00 0.00 31.44 32.05 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 -1.28 0.00 -3.30 -1.84 5.03 -1.26 -5.12 115.26 107.49 1we8 n ASN 12 Ca 0.00 0.00 -0.47 0.00 0.87 0.00 0.00 54.58 54.98 1we8 n ASN 12 Cb 0.19 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.87 1we8 n ASN 12 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1we8 n THR 13 N 0.00 0.00 -1.24 3.41 -1.04 -1.26 -4.60 114.28 109.55 1we8 n THR 13 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1we8 n THR 13 Cb 0.00 -0.36 0.10 0.00 -1.82 0.00 0.00 70.33 68.26 1we8 n THR 13 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1we8 s PRO 14 N 2.69 1.98 0.03 -2.82 0.04 -1.26 -3.58 135.00 132.07 1we8 s PRO 14 Ca 0.78 1.07 -0.10 0.00 0.04 0.00 0.00 61.00 62.79 1we8 s PRO 14 Cb -1.07 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 31.60 1we8 s PRO 14 CO 0.56 -1.81 0.21 0.08 0.04 0.00 0.00 177.00 176.08 1we8 s VAL 15 N -2.91 0.09 -0.07 -0.36 1.01 0.63 -4.84 120.40 113.96 1we8 s VAL 15 Ca 0.62 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1we8 s VAL 15 Cb -0.17 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1we8 s VAL 15 CO 0.56 -0.43 -0.05 0.12 0.00 0.00 0.00 175.10 175.31 1we8 s PHE 16 N -2.17 0.93 0.08 5.22 5.36 -1.26 -1.38 117.98 124.76 1we8 s PHE 16 Ca -0.08 -0.32 0.01 0.00 -0.96 0.00 0.00 56.93 55.58 1we8 s PHE 16 Cb -0.03 -0.84 -0.04 0.00 -0.34 0.00 0.00 43.02 41.77 1we8 s PHE 16 CO -0.02 -0.29 -0.06 -2.00 -1.46 0.00 0.00 175.22 171.39 1we8 s GLU 17 N 1.32 0.75 0.01 10.12 2.56 0.59 -5.02 118.70 129.04 1we8 s GLU 17 Ca -0.04 -1.28 0.05 0.00 0.00 0.00 0.00 54.97 53.70 1we8 s GLU 17 Cb -0.14 -0.08 -0.02 0.00 2.00 0.00 0.00 34.13 35.90 1we8 s GLU 17 CO -0.02 -0.04 -0.16 -0.65 -0.56 0.00 0.00 175.26 173.83 1we8 s GLN 18 N -3.78 1.15 -0.08 4.30 -0.21 -1.26 -0.61 119.66 119.17 1we8 s GLN 18 Ca 0.10 -0.67 -0.02 0.00 0.02 0.00 0.00 55.36 54.79 1we8 s GLN 18 Cb 0.06 -1.15 0.04 0.00 1.00 0.00 0.00 33.01 32.95 1we8 s GLN 18 CO -0.06 0.30 0.04 -0.51 -2.12 0.00 0.00 175.29 172.94 1we8 s LEU 19 N -0.72 0.40 -0.24 2.90 1.02 0.53 -4.97 118.68 117.60 1we8 s LEU 19 Ca 0.05 -0.14 -0.23 0.00 0.02 0.00 0.00 54.13 53.83 1we8 s LEU 19 Cb -0.07 -0.29 -0.01 0.00 0.02 0.00 0.00 46.19 45.84 1we8 s LEU 19 CO 0.00 -0.25 0.74 -0.94 0.02 0.00 0.00 176.35 175.93 1we8 s SER 20 N 2.08 6.74 0.13 2.29 1.04 -1.26 0.10 113.70 124.82 1we8 s SER 20 Ca 0.04 0.92 0.10 0.00 0.48 0.00 0.00 55.95 57.49 1we8 s SER 20 Cb -0.13 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1we8 s SER 20 CO -0.05 -0.43 -0.23 0.68 0.98 0.00 0.00 173.24 174.18 1we8 s VAL 21 N 2.58 1.99 0.66 5.02 -7.23 0.49 -4.96 120.40 118.95 1we8 s VAL 21 Ca 0.32 -1.72 -0.15 0.00 -1.81 0.00 0.00 61.98 58.62 1we8 s VAL 21 Cb -0.15 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 1we8 s VAL 21 CO 0.08 -0.04 1.11 -2.16 -0.31 0.00 0.00 175.10 173.78 1we8 s PRO 22 N -2.15 2.80 0.00 4.82 0.04 -1.26 0.20 135.00 139.45 1we8 s PRO 22 Ca 0.12 1.38 0.18 0.00 0.04 0.00 0.00 61.00 62.72 1we8 s PRO 22 Cb -0.09 -1.95 0.86 0.00 0.04 0.00 0.00 34.50 33.35 1we8 s PRO 22 CO 0.06 -1.25 1.54 0.00 0.04 0.00 0.00 177.00 177.40 1we8 n GLN 23 N -2.43 0.18 -0.02 4.56 10.64 -1.22 -1.67 117.38 127.43 1we8 n GLN 23 Ca 0.10 0.14 -0.12 0.00 -1.83 0.00 0.00 57.00 55.29 1we8 n GLN 23 Cb 0.52 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.26 1we8 n GLN 23 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1we8 n ARG 24 N -1.35 0.67 0.00 2.61 1.85 -1.26 -4.09 116.66 115.09 1we8 n ARG 24 Ca 0.07 0.27 0.11 0.00 -1.00 0.00 0.00 57.85 57.31 1we8 n ARG 24 Cb 0.16 -1.75 0.09 0.00 -1.05 0.00 0.00 32.46 29.90 1we8 n ARG 24 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1we8 n SER 25 N -3.16 0.79 0.19 2.89 7.64 -1.05 -4.06 113.62 116.87 1we8 n SER 25 Ca -0.22 -0.64 0.05 0.00 1.01 0.00 0.00 58.87 59.07 1we8 n SER 25 Cb 1.05 0.57 0.38 0.00 -1.01 0.00 0.00 64.21 65.21 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 0.14 1.01 0.00 0.44 3.04 -1.47 -1.94 116.25 117.47 1we8 h VAL 26 Ca 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1we8 h VAL 26 Cb 0.51 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1we8 h VAL 26 CO 0.00 0.36 0.00 1.23 -1.01 0.00 0.00 177.57 178.15 1we8 h GLY 27 N 1.58 0.00 0.14 3.17 0.00 -1.76 -1.78 103.07 104.43 1we8 h GLY 27 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1we8 h GLY 27 CO 0.05 0.00 -2.29 -2.13 0.00 0.00 0.00 176.54 172.16 1we8 n ARG 28 N -2.76 0.68 -0.05 4.80 3.00 -1.01 -3.17 116.66 118.14 1we8 n ARG 28 Ca 0.03 0.04 -0.14 0.00 -0.00 0.00 0.00 57.85 57.78 1we8 n ARG 28 Cb 0.36 -1.56 -0.12 0.00 0.00 0.00 0.00 32.46 31.14 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 1.69 0.00 5.15 2.04 -1.34 -3.30 117.51 121.74 1we8 h ILE 29 Ca -0.51 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1we8 h ILE 29 Cb 2.20 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 41.34 1we8 h ILE 29 CO 0.03 0.52 0.00 0.40 0.00 0.00 0.00 178.15 179.11 1we8 h ILE 30 N -0.86 0.00 0.00 -0.67 2.04 -1.55 -3.31 117.51 113.16 1we8 h ILE 30 Ca -0.00 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1we8 h ILE 30 Cb 0.86 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1we8 h ILE 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1we8 n GLY 31 N 1.18 -1.83 0.22 5.37 0.00 -1.19 -1.43 105.19 107.51 1we8 n GLY 31 Ca 0.05 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 0.25 0.00 1.61 -0.00 -1.93 -3.39 114.38 110.91 1we8 h ARG 32 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 59.98 59.90 1we8 h ARG 32 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 1we8 h ARG 32 CO 0.00 0.49 0.00 0.41 -0.00 0.00 0.00 179.97 180.87 1we8 n GLY 33 N -0.57 0.78 0.00 0.08 0.00 -1.26 -4.99 105.19 99.23 1we8 n GLY 33 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.74 0.49 -0.02 0.00 -0.51 -4.95 105.19 100.94 1we8 n GLY 34 Ca 0.00 -0.05 0.24 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 0.05 1.61 4.11 -1.92 1.60 114.58 120.03 1we8 h GLU 35 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.08 1we8 h GLU 35 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1we8 h GLU 35 CO 0.00 0.00 -2.04 2.41 0.07 0.00 0.00 179.01 179.45 1we8 n THR 36 N -3.19 1.62 0.67 -1.06 -1.04 -1.16 -3.69 114.28 106.44 1we8 n THR 36 Ca 0.18 -0.72 0.12 0.00 -2.04 0.00 0.00 64.05 61.60 1we8 n THR 36 Cb 1.36 -1.27 0.47 0.00 -1.82 0.00 0.00 70.33 69.07 1we8 n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1we8 n ILE 37 N -3.19 0.53 0.02 12.58 0.13 0.51 -2.87 119.36 127.07 1we8 n ILE 37 Ca -0.29 -0.03 -0.18 0.00 -1.10 0.00 0.00 62.75 61.15 1we8 n ILE 37 Cb 1.06 -0.73 -0.14 0.00 -0.84 0.00 0.00 39.64 38.98 1we8 n ILE 37 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 1we8 h ARG 38 N 0.00 0.24 0.00 9.51 3.08 -0.69 -3.23 114.38 123.29 1we8 h ARG 38 Ca 0.00 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.53 1we8 h ARG 38 Cb 0.53 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1we8 h ARG 38 CO 0.00 1.08 -0.54 1.03 -1.07 0.00 0.00 179.97 180.47 1we8 h SER 39 N 0.06 0.00 -0.07 7.04 0.87 -1.62 -3.00 113.55 116.83 1we8 h SER 39 Ca -0.35 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1we8 h SER 39 Cb 2.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 1we8 h SER 39 CO 0.12 0.54 -0.19 0.40 -0.53 0.00 0.00 176.83 177.17 1we8 h ILE 40 N 0.00 1.42 -0.62 2.23 2.04 -1.67 -0.23 117.51 120.69 1we8 h ILE 40 Ca -0.01 -1.54 0.07 0.00 1.00 0.00 0.00 64.86 64.39 1we8 h ILE 40 Cb 0.99 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 39.28 1we8 h ILE 40 CO 0.07 0.43 0.41 0.00 0.00 0.00 0.00 178.15 179.06 1we8 h LYS 42 N 0.55 0.00 0.00 0.00 2.10 -1.51 0.39 116.57 118.10 1we8 h LYS 42 Ca 0.27 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.73 1we8 h LYS 42 Cb 0.36 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.66 1we8 h LYS 42 CO -0.08 0.27 -0.89 0.00 -2.00 0.00 0.00 179.45 176.74 1we8 h ALA 43 N 1.63 0.52 0.00 0.07 0.00 0.54 -3.36 119.26 118.66 1we8 h ALA 43 Ca -0.06 -0.81 -0.25 0.00 0.00 0.00 0.00 54.91 53.79 1we8 h ALA 43 Cb 1.33 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1we8 h ALA 43 CO 0.04 1.12 -1.95 -1.13 0.00 0.00 0.00 179.25 177.32 1we8 n SER 44 N -3.47 2.27 0.00 0.00 3.41 0.20 -4.99 113.62 111.05 1we8 n SER 44 Ca -0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1we8 n SER 44 Cb 0.85 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 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 2.48 0.46 3.88 5.00 0.00 0.14 -4.42 105.19 112.73 1we8 n GLY 45 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.18 3.84 -0.14 4.61 0.00 -1.21 -4.87 121.76 121.81 1we8 s ALA 46 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1we8 s ALA 46 Cb 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1we8 s ALA 46 CO 0.00 0.63 1.23 0.15 0.00 0.00 0.00 175.76 177.77 1we8 s LYS 47 N -1.56 4.26 -0.18 0.00 -0.14 0.11 -4.47 119.74 117.76 1we8 s LYS 47 Ca 0.25 1.64 0.01 0.00 -1.36 0.00 0.00 55.97 56.51 1we8 s LYS 47 Cb -0.13 -3.71 0.02 0.00 -1.68 0.00 0.00 37.83 32.32 1we8 s LYS 47 CO 0.14 -0.64 -0.19 0.42 -0.76 0.00 0.00 175.35 174.32 1we8 s ILE 48 N 3.18 2.17 0.28 2.17 1.01 -1.25 -0.36 121.20 128.39 1we8 s ILE 48 Ca 0.54 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1we8 s ILE 48 Cb -0.22 -1.91 -0.06 0.00 0.01 0.00 0.00 42.46 40.28 1we8 s ILE 48 CO 0.16 0.53 -0.01 0.28 0.00 0.00 0.00 174.94 175.90 1we8 s THR 49 N 1.24 1.36 -0.29 2.92 -1.32 -0.52 -4.93 115.64 114.10 1we8 s THR 49 Ca 0.03 -2.07 -0.09 0.00 -1.21 0.00 0.00 61.69 58.36 1we8 s THR 49 Cb -0.13 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.34 1we8 s THR 49 CO -0.11 -0.24 0.13 0.00 -2.21 0.00 0.00 174.62 172.19 1we8 n ASP 51 N 4.96 0.00 0.02 0.00 -0.08 0.28 -4.85 116.55 116.89 1we8 n ASP 51 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1we8 n ASP 51 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1we8 n ASP 51 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1we8 n LYS 52 N 0.00 0.00 0.11 -0.67 -0.00 -1.26 -4.88 118.16 111.46 1we8 n LYS 52 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1we8 n LYS 52 Cb 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 35.03 35.46 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 -2.63 0.25 -4.21 -1.58 -0.58 -1.26 -4.79 120.64 105.84 1we8 n GLU 53 Ca 0.00 0.25 -0.30 0.00 -0.42 0.00 0.00 57.16 56.70 1we8 n GLU 53 Cb 0.00 -1.82 -0.09 0.00 -0.57 0.00 0.00 31.44 28.96 1we8 n GLU 53 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1we8 s SER 54 N -4.46 4.54 -0.05 1.62 0.01 -1.26 -5.03 113.70 109.06 1we8 s SER 54 Ca 0.09 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1we8 s SER 54 Cb 0.12 -0.92 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 1we8 s SER 54 CO 0.56 0.18 -0.04 -0.62 0.41 0.00 0.00 173.24 173.72 1we8 n GLU 55 N 0.67 0.49 0.00 12.44 -0.58 -1.26 -4.76 120.64 127.65 1we8 n GLU 55 Ca -0.13 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1we8 n GLU 55 Cb 0.52 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 1we8 n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1we8 n GLY 56 N 3.19 0.09 0.00 0.62 0.00 -1.26 -5.10 105.19 102.72 1we8 n GLY 56 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.00 -1.81 2.61 -1.04 -1.26 -4.88 114.28 107.90 1we8 n THR 57 Ca 0.00 0.84 -0.03 0.00 -2.04 0.00 0.00 64.05 62.82 1we8 n THR 57 Cb 0.00 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 66.86 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 -0.90 -0.37 0.00 -4.42 0.00 -1.26 -5.15 117.00 104.89 1we8 n LEU 58 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 56.01 54.71 1we8 n LEU 58 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 43.42 43.59 1we8 n LEU 58 CO 0.00 1.06 0.19 0.00 0.00 0.00 0.00 177.39 178.65 1we8 n LEU 59 N 0.00 0.00 -0.08 -1.96 -0.00 -1.26 -4.98 117.00 108.72 1we8 n LEU 59 Ca -0.10 -0.49 -0.13 0.00 -0.00 0.00 0.00 56.01 55.28 1we8 n LEU 59 Cb 0.48 -0.64 -0.08 0.00 -0.00 0.00 0.00 43.42 43.18 1we8 n LEU 59 CO -0.05 -2.31 -0.18 -0.07 -0.00 0.00 0.00 177.39 174.78 1we8 h LEU 60 N 0.00 0.00 -8.65 1.47 3.38 -2.01 -3.48 115.31 106.02 1we8 h LEU 60 Ca -0.22 -0.46 -0.31 0.00 0.09 0.00 0.00 57.88 56.97 1we8 h LEU 60 Cb 0.74 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.35 1we8 h LEU 60 CO 0.13 1.08 -0.70 -0.44 0.09 0.00 0.00 178.44 178.60 1we8 s SER 61 N -6.28 1.64 0.38 -0.43 0.01 -1.26 -3.40 113.70 104.36 1we8 s SER 61 Ca -0.19 -1.05 0.08 0.00 1.31 0.00 0.00 55.95 56.09 1we8 s SER 61 Cb 0.02 0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.21 1we8 s SER 61 CO 0.46 -0.40 0.08 -0.13 0.41 0.00 0.00 173.24 173.67 1we8 s ARG 62 N -3.79 2.12 0.15 12.44 0.52 0.13 -4.79 118.95 125.73 1we8 s ARG 62 Ca 0.18 -1.85 0.07 0.00 -0.52 0.00 0.00 55.73 53.61 1we8 s ARG 62 Cb 0.04 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 1we8 s ARG 62 CO 0.01 -0.00 -0.17 -1.17 0.02 0.00 0.00 175.30 173.99 1we8 s LEU 63 N -3.80 2.42 0.10 2.53 0.20 -1.26 -0.38 118.68 118.49 1we8 s LEU 63 Ca 0.37 -0.84 0.07 0.00 0.69 0.00 0.00 54.13 54.43 1we8 s LEU 63 Cb 0.03 -0.71 -0.03 0.00 -0.43 0.00 0.00 46.19 45.05 1we8 s LEU 63 CO 0.20 -0.08 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.37 1we8 s ILE 64 N -2.08 1.50 -0.17 6.68 -1.09 0.29 0.98 121.20 127.31 1we8 s ILE 64 Ca 0.13 -1.51 -0.00 0.00 -2.23 0.00 0.00 60.65 57.04 1we8 s ILE 64 Cb -0.05 -1.42 0.04 0.00 -1.58 0.00 0.00 42.46 39.45 1we8 s ILE 64 CO 0.05 -0.16 -0.06 -0.54 -1.23 0.00 0.00 174.94 173.00 1we8 s LYS 65 N -1.97 1.55 -0.20 2.79 1.02 0.15 -0.34 119.74 122.73 1we8 s LYS 65 Ca 0.05 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.38 1we8 s LYS 65 Cb -0.09 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 1we8 s LYS 65 CO 0.04 -0.43 0.07 0.42 -0.92 0.00 0.00 175.35 174.53 1we8 s ILE 66 N 1.59 4.79 0.09 2.17 1.01 0.22 -1.43 121.20 129.64 1we8 s ILE 66 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1we8 s ILE 66 Cb -0.15 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1we8 s ILE 66 CO -0.08 0.43 -0.11 -0.94 0.00 0.00 0.00 174.94 174.24 1we8 s SER 67 N 0.61 1.54 0.00 3.58 1.04 0.51 -0.30 113.70 120.67 1we8 s SER 67 Ca 0.04 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1we8 s SER 67 Cb -0.13 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1we8 s SER 67 CO 0.01 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1we8 n GLY 68 N 0.69 0.96 3.83 7.32 0.00 -0.48 0.07 105.19 117.58 1we8 n GLY 68 Ca -0.17 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.35 4.27 0.63 2.61 -4.23 -1.26 0.23 115.64 115.53 1we8 s THR 69 Ca 0.00 1.12 0.23 0.00 -1.18 0.00 0.00 61.69 61.86 1we8 s THR 69 Cb 0.00 -3.60 0.29 0.00 1.34 0.00 0.00 72.50 70.53 1we8 s THR 69 CO 0.00 -0.59 1.59 -0.61 -0.54 0.00 0.00 174.62 174.47 1we8 h GLN 70 N 0.86 0.00 -0.02 3.99 5.75 -1.88 0.97 115.11 124.78 1we8 h GLN 70 Ca -0.47 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 57.81 1we8 h GLN 70 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1we8 h GLN 70 CO 0.60 0.00 -0.91 0.87 -2.65 0.00 0.00 178.83 176.75 1we8 h LYS 71 N 0.00 0.44 0.00 1.69 1.57 -1.91 -3.15 116.57 115.21 1we8 h LYS 71 Ca 0.18 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1we8 h LYS 71 Cb 1.61 0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1we8 h LYS 71 CO -0.00 1.10 -0.01 0.93 -0.57 0.00 0.00 179.45 180.90 1we8 h GLU 72 N 0.26 0.00 -1.43 3.15 5.08 0.71 -2.90 114.58 119.45 1we8 h GLU 72 Ca -0.07 0.00 0.41 0.00 -1.00 0.00 0.00 59.36 58.70 1we8 h GLU 72 Cb 1.53 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.72 1we8 h GLU 72 CO 0.16 0.00 1.21 0.28 -1.00 0.00 0.00 179.01 179.66 1we8 n VAL 73 N -2.26 0.00 0.05 3.13 0.31 -0.42 0.23 118.33 119.37 1we8 n VAL 73 Ca -0.00 1.25 -0.22 0.00 -0.01 0.00 0.00 64.34 65.35 1we8 n VAL 73 Cb 0.01 -2.14 -0.15 0.00 -0.91 0.00 0.00 33.84 30.65 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 0.71 0.19 0.08 3.52 0.00 -1.70 -3.28 119.26 118.78 1we8 h ALA 74 Ca 0.68 -1.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1we8 h ALA 74 Cb 3.08 0.49 0.00 0.00 0.00 0.00 0.00 17.79 21.37 1we8 h ALA 74 CO -0.01 1.01 -0.04 0.00 0.00 0.00 0.00 179.25 180.22 1we8 h ALA 75 N 0.07 -0.10 -0.93 0.00 0.00 0.31 -3.30 119.26 115.30 1we8 h ALA 75 Ca -0.35 -0.29 0.22 0.00 0.00 0.00 0.00 54.91 54.50 1we8 h ALA 75 Cb 2.01 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.72 1we8 h ALA 75 CO 0.14 -0.18 0.47 0.00 0.00 0.00 0.00 179.25 179.67 1we8 h ALA 76 N -0.15 1.55 -1.00 0.00 0.00 -0.20 0.26 119.26 119.71 1we8 h ALA 76 Ca -0.01 0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.28 1we8 h ALA 76 Cb 0.60 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 1we8 h ALA 76 CO 0.02 -0.30 0.63 -0.22 0.00 0.00 0.00 179.25 179.38 1we8 h LYS 77 N 0.48 0.50 0.06 0.00 3.64 -1.63 0.10 116.57 119.72 1we8 h LYS 77 Ca 0.58 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1we8 h LYS 77 Cb 1.10 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1we8 h LYS 77 CO -0.50 0.33 -0.03 1.25 -2.27 0.00 0.00 179.45 178.23 1we8 h HIS 78 N 0.52 -0.08 -0.98 1.91 2.76 -0.60 -3.03 115.15 115.65 1we8 h HIS 78 Ca 0.57 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.87 1we8 h HIS 78 Cb 1.25 0.03 -0.09 0.00 1.55 0.00 0.00 27.41 30.15 1we8 h HIS 78 CO -0.00 0.41 0.60 -0.07 -1.30 0.00 0.00 177.93 177.57 1we8 h LEU 79 N -0.61 0.87 -0.20 0.26 3.38 -1.02 -0.63 115.31 117.35 1we8 h LEU 79 Ca -0.01 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1we8 h LEU 79 Cb 0.52 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1we8 h LEU 79 CO 0.01 0.45 0.03 0.40 0.09 0.00 0.00 178.44 179.42 1we8 h ILE 80 N 0.94 0.89 -0.54 1.22 2.04 -1.04 -2.65 117.51 118.37 1we8 h ILE 80 Ca 0.49 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 66.27 1we8 h ILE 80 Cb 0.51 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1we8 h ILE 80 CO -0.28 0.02 0.15 -0.07 0.00 0.00 0.00 178.15 177.97 1we8 h LEU 81 N 0.11 0.80 -1.55 1.44 3.38 -1.20 -2.58 115.31 115.70 1we8 h LEU 81 Ca 0.09 -0.22 0.37 0.00 0.09 0.00 0.00 57.88 58.22 1we8 h LEU 81 Cb 0.10 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1we8 h LEU 81 CO -0.13 0.81 1.16 -0.33 0.09 0.00 0.00 178.44 180.04 1we8 h GLU 82 N 0.75 0.00 0.04 1.13 4.39 -0.77 1.57 114.58 121.69 1we8 h GLU 82 Ca 0.17 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.55 1we8 h GLU 82 Cb 0.31 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1we8 h GLU 82 CO -0.00 0.00 -1.84 1.63 -1.16 0.00 0.00 179.01 177.64 1we8 n LYS 83 N -3.61 0.67 -0.20 2.33 4.01 -0.98 -3.41 118.16 116.97 1we8 n LYS 83 Ca 0.28 0.27 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 1we8 n LYS 83 Cb 1.56 -1.75 0.25 0.00 -0.51 0.00 0.00 35.03 34.57 1we8 n LYS 83 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1we8 h VAL 84 N 0.02 1.19 0.00 -0.18 2.07 0.23 -2.12 116.25 117.47 1we8 h VAL 84 Ca -0.34 -0.38 -0.20 0.00 0.82 0.00 0.00 66.70 66.59 1we8 h VAL 84 Cb 2.03 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1we8 h VAL 84 CO 0.08 0.19 -0.96 0.28 0.02 0.00 0.00 177.57 177.18 1we8 h SER 85 N 0.98 0.00 -0.47 0.57 0.02 -1.48 -3.18 113.55 109.99 1we8 h SER 85 Ca 0.26 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.24 1we8 h SER 85 Cb -0.08 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1we8 h SER 85 CO -0.05 0.96 0.26 -0.33 -1.14 0.00 0.00 176.83 176.52 1we8 h GLU 86 N 0.00 0.49 0.00 3.45 5.08 -1.41 -1.59 114.58 120.60 1we8 h GLU 86 Ca -0.01 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1we8 h GLU 86 Cb 1.70 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1we8 h GLU 86 CO 0.12 0.33 -0.37 0.22 -1.00 0.00 0.00 179.01 178.31 1we8 h ASP 87 N 0.51 0.00 0.02 1.42 1.82 -1.57 0.00 116.42 118.62 1we8 h ASP 87 Ca 0.19 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.78 1we8 h ASP 87 Cb 0.06 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 1we8 h ASP 87 CO -0.11 0.37 -0.16 1.05 -1.61 0.00 0.00 179.24 178.78 1we8 h GLU 88 N 0.00 0.28 0.00 0.28 -0.00 -1.28 -2.99 114.58 110.87 1we8 h GLU 88 Ca -0.00 -0.07 -0.10 0.00 -0.00 0.00 0.00 59.36 59.18 1we8 h GLU 88 Cb 0.80 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 29.50 1we8 h GLU 88 CO 0.05 0.44 -1.05 0.39 -0.00 0.00 0.00 179.01 178.84 1we8 n GLU 89 N -4.24 0.51 -0.25 1.06 1.02 -0.97 -3.57 120.64 114.20 1we8 n GLU 89 Ca -0.01 0.41 0.25 0.00 -0.02 0.00 0.00 57.16 57.80 1we8 n GLU 89 Cb 0.30 -1.60 0.47 0.00 -0.02 0.00 0.00 31.44 30.59 1we8 n GLU 89 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1we8 n LEU 90 N -4.49 0.28 0.04 -4.62 -0.00 -0.03 0.20 117.00 108.38 1we8 n LEU 90 Ca -0.20 1.32 -0.20 0.00 -0.00 0.00 0.00 56.01 56.93 1we8 n LEU 90 Cb 0.49 -0.64 -0.12 0.00 -0.00 0.00 0.00 43.42 43.15 1we8 n LEU 90 CO 0.14 -1.47 0.09 0.03 -0.00 0.00 0.00 177.39 176.18 1we8 h ARG 91 N 0.00 0.48 -0.62 1.47 3.08 -1.72 -3.30 114.38 113.77 1we8 h ARG 91 Ca 0.67 -0.61 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1we8 h ARG 91 Cb 1.78 0.20 -0.04 0.00 0.08 0.00 0.00 29.97 31.99 1we8 h ARG 91 CO -0.61 1.24 0.38 0.87 -1.07 0.00 0.00 179.97 180.78 1we8 h LYS 92 N 0.00 0.72 -0.18 0.04 1.79 0.23 -0.43 116.57 118.75 1we8 h LYS 92 Ca -0.13 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.35 1we8 h LYS 92 Cb 1.61 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 32.09 1we8 h LYS 92 CO 0.17 0.48 0.23 0.00 -1.08 0.00 0.00 179.45 179.25 1we8 h ARG 93 N 0.74 0.00 0.10 3.15 3.08 -0.77 -0.35 114.38 120.33 1we8 h ARG 93 Ca 0.25 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.96 1we8 h ARG 93 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1we8 h ARG 93 CO -0.11 0.00 -1.91 0.82 -1.07 0.00 0.00 179.97 177.71 1we8 h ILE 94 N 0.00 0.71 -0.61 2.04 2.04 -1.22 -3.37 117.51 117.09 1we8 h ILE 94 Ca 0.08 -2.44 -0.05 0.00 1.00 0.00 0.00 64.86 63.45 1we8 h ILE 94 Cb 0.54 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.11 1we8 h ILE 94 CO -0.00 0.81 0.19 0.00 0.00 0.00 0.00 178.15 179.15 1we8 h ALA 95 N 0.28 0.80 -2.51 1.87 0.00 0.08 -3.42 119.26 116.36 1we8 h ALA 95 Ca -0.38 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 53.77 1we8 h ALA 95 Cb 2.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1we8 h ALA 95 CO 0.10 0.47 0.27 -3.38 0.00 0.00 0.00 179.25 176.71 1we8 s HIS 96 N -5.40 3.63 -0.16 0.00 -3.43 -0.26 -5.04 115.29 104.61 1we8 s HIS 96 Ca -0.13 1.53 0.00 0.00 -0.80 0.00 0.00 55.06 55.67 1we8 s HIS 96 Cb 0.13 -3.01 0.03 0.00 -1.43 0.00 0.00 32.58 28.30 1we8 s HIS 96 CO 0.81 0.02 -0.13 0.45 -2.00 0.00 0.00 174.74 173.89 1we8 s SER 97 N 0.93 2.89 0.00 7.38 0.15 -1.26 -4.86 113.70 118.93 1we8 s SER 97 Ca 0.47 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1we8 s SER 97 Cb -0.20 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.92 1we8 s SER 97 CO 0.24 -0.08 0.00 0.00 1.20 0.00 0.00 173.24 174.60 1we8 n ALA 98 N 4.75 0.00 -2.74 5.45 0.00 -1.26 -5.15 120.51 121.57 1we8 n ALA 98 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 1we8 n ALA 98 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 1we8 n ALA 98 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1we8 s SER 99 N -2.14 1.21 0.00 0.00 0.01 -1.26 -5.10 113.70 106.41 1we8 s SER 99 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1we8 s SER 99 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1we8 s SER 99 CO 0.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1we8 n GLY 100 N 1.96 -1.13 3.67 3.44 0.00 -1.26 -5.15 105.19 106.71 1we8 n GLY 100 Ca -0.19 0.87 -0.29 0.00 0.00 0.00 0.00 46.02 46.42 1we8 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1we8 s PRO 101 N 0.00 0.22 -0.39 1.61 0.04 -1.26 -5.02 135.00 130.20 1we8 s PRO 101 Ca 0.00 0.46 -0.07 0.00 0.04 0.00 0.00 61.00 61.42 1we8 s PRO 101 Cb 0.00 -1.72 0.07 0.00 0.04 0.00 0.00 34.50 32.89 1we8 s PRO 101 CO 0.00 -2.86 0.20 -1.12 0.04 0.00 0.00 177.00 173.26 1we8 s SER 102 N -3.47 5.48 0.19 6.66 0.01 -1.26 -5.08 113.70 116.23 1we8 s SER 102 Ca 0.66 -1.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.18 1we8 s SER 102 Cb -0.18 -1.93 -0.08 0.00 0.21 0.00 0.00 66.02 64.04 1we8 s SER 102 CO 0.58 -0.47 0.95 -0.94 0.41 0.00 0.00 173.24 173.77 1we8 s SER 103 N 1.84 7.58 0.00 2.44 1.04 -1.26 -5.39 113.70 119.95 1we8 s SER 103 Ca 0.02 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.35 1we8 s SER 103 Cb -0.22 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.30 1we8 s SER 103 CO 0.02 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.90