#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eei n SER 2 N 0.00 4.40 -4.40 1.61 7.64 -1.26 -5.00 113.62 116.61 2eei n SER 2 Ca 0.00 -3.50 -0.44 0.00 1.01 0.00 0.00 58.87 55.94 2eei n SER 2 Cb 0.00 -0.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.78 2eei n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2eei s SER 3 N -3.61 6.20 0.00 6.43 0.01 -1.26 -4.75 113.70 116.71 2eei s SER 3 Ca 0.47 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2eei s SER 3 Cb 0.40 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2eei s SER 3 CO 0.01 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.06 2eei n GLY 4 N 5.29 -1.51 0.15 3.44 0.00 -1.26 -5.06 105.19 106.24 2eei n GLY 4 Ca -0.07 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 2eei n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eei n SER 5 N 0.00 1.89 -4.19 1.61 2.88 -1.26 -5.04 113.62 109.51 2eei n SER 5 Ca 0.00 0.32 -0.19 0.00 -1.33 0.00 0.00 58.87 57.68 2eei n SER 5 Cb 0.00 -0.75 -0.12 0.00 -0.75 0.00 0.00 64.21 62.59 2eei n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2eei s SER 6 N -6.61 1.81 0.00 -3.46 0.01 -1.26 -4.92 113.70 99.27 2eei s SER 6 Ca -0.32 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2eei s SER 6 Cb 0.09 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2eei s SER 6 CO 0.44 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.62 2eei n GLY 7 N 1.14 3.23 0.44 3.44 0.00 -1.26 -5.05 105.19 107.14 2eei n GLY 7 Ca -0.20 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2eei n GLY 7 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2eei h GLN 8 N 0.00 -1.06 -7.38 1.61 4.15 -2.02 -3.45 115.11 106.96 2eei h GLN 8 Ca 0.00 0.07 -0.43 0.00 0.77 0.00 0.00 58.65 59.07 2eei h GLN 8 Cb 0.00 0.24 0.18 0.00 0.21 0.00 0.00 27.48 28.11 2eei h GLN 8 CO 0.00 -0.70 0.15 -1.25 -1.93 0.00 0.00 178.83 175.10 2eei s PRO 9 N -5.84 -0.74 -0.15 -2.39 0.04 -1.26 -5.04 135.00 119.62 2eei s PRO 9 Ca -0.18 0.11 -0.06 0.00 0.04 0.00 0.00 61.00 60.91 2eei s PRO 9 Cb 0.03 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2eei s PRO 9 CO 0.59 -3.42 0.05 1.03 0.04 0.00 0.00 177.00 175.29 2eei s ARG 10 N -5.26 3.64 -0.34 4.56 0.52 -1.22 -5.01 118.95 115.84 2eei s ARG 10 Ca 0.69 -0.33 -0.24 0.00 -0.52 0.00 0.00 55.73 55.33 2eei s ARG 10 Cb -0.13 -3.09 0.01 0.00 0.52 0.00 0.00 34.95 32.26 2eei s ARG 10 CO 0.57 0.46 0.83 -1.17 0.02 0.00 0.00 175.30 176.00 2eei s LEU 11 N -0.16 4.08 -0.58 2.53 1.98 -1.26 -3.68 118.68 121.58 2eei s LEU 11 Ca 0.07 0.57 -0.14 0.00 -2.89 0.00 0.00 54.13 51.74 2eei s LEU 11 Cb -0.12 -3.12 0.15 0.00 0.66 0.00 0.00 46.19 43.75 2eei s LEU 11 CO 0.01 -0.71 0.51 0.00 -1.89 0.00 0.00 176.35 174.27 2eei s TYR 13 N 1.22 2.82 0.18 0.00 5.04 -1.26 -0.43 117.35 124.93 2eei s TYR 13 Ca 0.07 -0.14 -0.19 0.00 -2.44 0.00 0.00 57.07 54.37 2eei s TYR 13 Cb -0.25 -4.01 -0.08 0.00 0.35 0.00 0.00 41.96 37.97 2eei s TYR 13 CO -0.00 -1.33 0.68 -0.51 -1.34 0.00 0.00 175.55 173.05 2eei s LEU 14 N 3.76 4.39 -0.17 6.97 2.01 -0.56 -4.78 118.68 130.30 2eei s LEU 14 Ca 0.27 1.36 -0.03 0.00 0.01 0.00 0.00 54.13 55.75 2eei s LEU 14 Cb -0.14 -3.41 0.06 0.00 0.01 0.00 0.00 46.19 42.71 2eei s LEU 14 CO 0.17 0.10 0.04 -0.69 1.01 0.00 0.00 176.35 176.98 2eei s VAL 15 N -1.42 0.41 -0.03 -1.59 1.01 -1.26 -2.14 120.40 115.38 2eei s VAL 15 Ca 0.39 -0.40 -0.40 0.00 0.00 0.00 0.00 61.98 61.58 2eei s VAL 15 Cb -0.17 -0.89 -0.19 0.00 0.00 0.00 0.00 36.38 35.12 2eei s VAL 15 CO 0.21 -0.15 1.16 0.29 0.00 0.00 0.00 175.10 176.61 2eei n LYS 16 N 5.10 0.19 0.08 2.72 5.02 -1.02 -4.84 118.16 125.41 2eei n LYS 16 Ca -0.08 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2eei n LYS 16 Cb 0.48 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2eei n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2eei n GLU 17 N 1.90 0.00 -3.84 1.97 0.00 -1.26 -5.04 120.64 114.37 2eei n GLU 17 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 57.11 2eei n GLU 17 Cb 0.09 -0.21 -0.17 0.00 0.00 0.00 0.00 31.44 31.15 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2eei s GLY 18 N -4.71 0.71 0.00 8.31 0.00 -1.26 -5.03 107.32 105.34 2eei s GLY 18 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.26 2eei s GLY 18 CO 0.00 1.00 0.00 0.61 0.00 0.00 0.00 173.10 174.71 2eei n GLY 19 N 5.01 0.42 3.53 0.20 0.00 -1.26 -4.38 105.19 108.71 2eei n GLY 19 Ca -0.10 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 2eei n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eei s SER 20 N -4.00 4.01 1.04 1.61 0.15 -1.26 -5.08 113.70 110.17 2eei s SER 20 Ca 0.00 -0.70 -0.15 0.00 0.70 0.00 0.00 55.95 55.80 2eei s SER 20 Cb 0.00 -0.58 0.15 0.00 -1.71 0.00 0.00 66.02 63.88 2eei s SER 20 CO 0.00 0.09 0.20 -1.22 1.20 0.00 0.00 173.24 173.51 2eei n TYR 21 N -0.05 -2.16 -0.11 3.44 4.01 -1.26 -4.87 117.16 116.16 2eei n TYR 21 Ca -0.10 0.02 0.07 0.00 -0.16 0.00 0.00 57.90 57.73 2eei n TYR 21 Cb 0.56 -1.42 0.28 0.00 -0.31 0.00 0.00 39.34 38.45 2eei n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2eei n GLY 22 N 2.38 2.13 3.51 2.72 0.00 -1.26 -4.86 105.19 109.81 2eei n GLY 22 Ca 0.05 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 2eei n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eei s PHE 23 N -1.81 2.21 -0.02 1.61 -0.12 -1.26 0.51 117.98 119.10 2eei s PHE 23 Ca 0.39 -0.71 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 2eei s PHE 23 Cb 0.26 -1.40 0.01 0.00 -0.63 0.00 0.00 43.02 41.26 2eei s PHE 23 CO 0.18 0.33 0.05 -1.12 -0.05 0.00 0.00 175.22 174.61 2eei s SER 24 N -3.56 -0.03 0.04 1.98 0.01 -0.64 -4.96 113.70 106.55 2eei s SER 24 Ca 0.33 0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.71 2eei s SER 24 Cb 0.06 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 2eei s SER 24 CO 0.15 -0.05 0.05 -0.76 0.41 0.00 0.00 173.24 173.04 2eei s LEU 25 N 0.35 3.69 -0.07 2.44 1.43 -1.26 -1.43 118.68 123.83 2eei s LEU 25 Ca -0.03 -0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 52.90 2eei s LEU 25 Cb -0.04 -2.27 0.04 0.00 0.03 0.00 0.00 46.19 43.95 2eei s LEU 25 CO -0.01 0.22 0.41 -1.59 0.23 0.00 0.00 176.35 175.61 2eei s LYS 26 N -2.02 0.67 -0.21 1.70 -2.85 -1.24 -4.98 119.74 110.82 2eei s LYS 26 Ca 0.25 0.16 -0.13 0.00 -1.00 0.00 0.00 55.97 55.25 2eei s LYS 26 Cb -0.12 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 35.92 2eei s LYS 26 CO 0.17 -0.16 0.27 0.95 0.10 0.00 0.00 175.35 176.68 2eei s THR 27 N -0.74 5.29 -0.13 3.79 -4.23 -1.26 -4.20 115.64 114.15 2eei s THR 27 Ca -0.08 0.45 -0.06 0.00 -1.18 0.00 0.00 61.69 60.81 2eei s THR 27 Cb -0.04 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 2eei s THR 27 CO 0.04 0.32 0.09 -0.69 -0.54 0.00 0.00 174.62 173.84 2eei s VAL 28 N 1.02 5.10 0.25 2.29 1.01 -1.26 -5.07 120.40 123.74 2eei s VAL 28 Ca 0.14 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 2eei s VAL 28 Cb -0.14 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2eei s VAL 28 CO 0.05 0.57 1.44 0.00 0.00 0.00 0.00 175.10 177.16 2eei s GLN 29 N -0.64 4.27 0.00 2.72 -2.07 -1.26 -2.76 119.66 119.91 2eei s GLN 29 Ca 0.12 2.30 0.00 0.00 -1.82 0.00 0.00 55.36 55.96 2eei s GLN 29 Cb -0.12 -3.11 0.00 0.00 -1.09 0.00 0.00 33.01 28.70 2eei s GLN 29 CO 0.02 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 173.99 2eei n GLY 30 N 2.12 2.00 3.80 2.60 0.00 -1.26 -4.99 105.19 109.46 2eei n GLY 30 Ca 0.06 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2eei n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eei s LYS 31 N 0.00 4.30 -0.22 1.61 1.02 -1.11 -5.05 119.74 120.28 2eei s LYS 31 Ca 0.00 1.27 -0.05 0.00 0.02 0.00 0.00 55.97 57.21 2eei s LYS 31 Cb 0.00 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 2eei s LYS 31 CO 0.00 0.02 0.01 0.15 -0.92 0.00 0.00 175.35 174.61 2eei s LYS 32 N -2.70 3.56 0.00 1.68 -0.14 -1.26 -4.69 119.74 116.19 2eei s LYS 32 Ca 0.58 -0.54 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 2eei s LYS 32 Cb -0.15 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 2eei s LYS 32 CO 0.19 -0.12 0.00 0.41 -0.76 0.00 0.00 175.35 175.07 2eei n GLY 33 N 4.66 2.57 3.86 -3.33 0.00 -1.26 -4.84 105.19 106.86 2eei n GLY 33 Ca -0.17 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.74 2eei n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2eei s VAL 34 N -2.85 4.52 0.30 1.61 -7.23 -1.26 -4.69 120.40 110.80 2eei s VAL 34 Ca 0.00 -1.30 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 2eei s VAL 34 Cb 0.00 -3.48 0.02 0.00 0.56 0.00 0.00 36.38 33.48 2eei s VAL 34 CO 0.00 -0.32 0.65 -0.72 -0.31 0.00 0.00 175.10 174.40 2eei s TYR 35 N -2.12 0.12 0.08 2.82 -0.85 -1.26 -2.38 117.35 113.76 2eei s TYR 35 Ca 0.34 -0.57 -0.30 0.00 -0.52 0.00 0.00 57.07 56.02 2eei s TYR 35 Cb -0.08 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.74 2eei s TYR 35 CO 0.26 -1.23 0.96 -1.64 -1.52 0.00 0.00 175.55 172.39 2eei s MET 36 N -3.57 4.66 -0.00 -3.49 -1.94 -1.23 -3.58 119.30 110.15 2eei s MET 36 Ca 0.16 1.44 -0.00 0.00 -1.71 0.00 0.00 55.69 55.58 2eei s MET 36 Cb -0.04 -3.40 -0.00 0.00 2.01 0.00 0.00 34.83 33.40 2eei s MET 36 CO 0.09 0.14 -0.00 -2.37 -0.01 0.00 0.00 175.02 172.87 2eei n THR 37 N 3.10 0.00 -3.87 2.05 5.66 -0.51 0.12 114.28 120.83 2eei n THR 37 Ca 0.03 -0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.68 2eei n THR 37 Cb 0.50 -0.82 -0.13 0.00 -1.55 0.00 0.00 70.33 68.32 2eei n THR 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2eei s ASP 38 N -4.32 4.78 -0.66 1.09 2.15 -1.25 -4.70 116.67 113.77 2eei s ASP 38 Ca -0.00 -0.97 -0.06 0.00 0.43 0.00 0.00 52.55 51.95 2eei s ASP 38 Cb 0.00 -1.75 0.17 0.00 -0.30 0.00 0.00 42.92 41.04 2eei s ASP 38 CO 0.00 -0.20 0.51 -0.63 -0.17 0.00 0.00 175.17 174.68 2eei s ILE 39 N 1.36 4.21 0.24 4.11 -1.09 -1.26 -1.62 121.20 127.15 2eei s ILE 39 Ca -0.01 -2.73 -0.29 0.00 -2.23 0.00 0.00 60.65 55.39 2eei s ILE 39 Cb -0.18 -3.70 -0.15 0.00 -1.58 0.00 0.00 42.46 36.85 2eei s ILE 39 CO -0.01 -0.90 0.93 0.41 -1.23 0.00 0.00 174.94 174.14 2eei n THR 40 N 3.74 1.77 -2.19 2.92 -1.04 0.18 -4.83 114.28 114.82 2eei n THR 40 Ca 0.08 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.05 61.30 2eei n THR 40 Cb 0.40 -0.74 0.01 0.00 -1.82 0.00 0.00 70.33 68.18 2eei n THR 40 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2eei s PRO 41 N -1.20 3.28 -1.27 -2.82 0.04 -1.26 -3.46 135.00 128.31 2eei s PRO 41 Ca 0.63 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 2eei s PRO 41 Cb -0.79 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 31.87 2eei s PRO 41 CO 0.58 -0.90 0.27 0.00 0.04 0.00 0.00 177.00 176.99 2eei n GLN 42 N -1.45 -0.85 -1.06 4.56 0.00 -1.26 -4.86 117.38 112.46 2eei n GLN 42 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.20 2eei n GLN 42 Cb 0.51 -3.10 0.00 0.00 0.00 0.00 0.00 30.24 27.65 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2eei n GLY 43 N -1.36 4.39 0.34 2.61 0.00 -1.22 -4.92 105.19 105.02 2eei n GLY 43 Ca -0.03 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 43.83 2eei n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2eei h VAL 44 N 0.43 1.23 0.18 1.61 2.07 -1.88 -1.27 116.25 118.63 2eei h VAL 44 Ca 0.00 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2eei h VAL 44 Cb 0.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2eei h VAL 44 CO 0.00 0.28 -0.09 0.00 0.02 0.00 0.00 177.57 177.78 2eei h ALA 45 N 1.34 -0.30 -0.39 1.67 0.00 -1.85 -2.52 119.26 117.20 2eei h ALA 45 Ca 0.25 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2eei h ALA 45 Cb 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2eei h ALA 45 CO -0.03 -0.28 0.61 1.98 0.00 0.00 0.00 179.25 181.52 2eei h MET 46 N -0.82 0.00 0.20 0.00 -1.53 -1.67 0.47 114.93 111.58 2eei h MET 46 Ca -0.02 0.00 -0.32 0.00 -3.44 0.00 0.00 59.70 55.91 2eei h MET 46 Cb 0.19 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.26 2eei h MET 46 CO 0.04 0.00 -1.50 -0.09 0.14 0.00 0.00 176.91 175.50 2eei h ARG 47 N 0.00 0.42 0.00 0.39 9.65 -1.27 -3.28 114.38 120.29 2eei h ARG 47 Ca 0.18 -0.71 -0.03 0.00 -1.10 0.00 0.00 59.98 58.32 2eei h ARG 47 Cb 1.40 0.27 -0.00 0.00 -1.39 0.00 0.00 29.97 30.24 2eei h ARG 47 CO -0.00 1.33 -0.16 0.00 2.80 0.00 0.00 179.97 183.94 2eei h ALA 48 N 0.28 1.11 -0.08 2.80 0.00 0.37 -3.47 119.26 120.27 2eei h ALA 48 Ca -0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2eei h ALA 48 Cb 2.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2eei h ALA 48 CO 0.23 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.08 2eei n GLY 49 N -0.22 1.39 3.57 0.00 0.00 -0.71 -4.65 105.19 104.57 2eei n GLY 49 Ca -0.01 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2eei n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eei s VAL 50 N -2.08 4.88 0.60 1.61 0.11 -1.21 -4.94 120.40 119.37 2eei s VAL 50 Ca 0.00 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.02 2eei s VAL 50 Cb 0.00 -3.27 0.03 0.00 -1.53 0.00 0.00 36.38 31.61 2eei s VAL 50 CO 0.00 0.35 0.88 -0.76 -3.33 0.00 0.00 175.10 172.25 2eei s LEU 51 N 1.19 3.16 0.86 2.54 1.43 -1.26 -4.57 118.68 122.02 2eei s LEU 51 Ca 0.06 0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 53.50 2eei s LEU 51 Cb -0.14 -3.22 0.17 0.00 0.03 0.00 0.00 46.19 43.03 2eei s LEU 51 CO 0.05 -1.20 1.18 0.00 0.23 0.00 0.00 176.35 176.60 2eei s ALA 52 N -2.97 2.90 -1.42 4.21 0.00 -1.26 -4.26 121.76 118.95 2eei s ALA 52 Ca 0.56 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 2eei s ALA 52 Cb -0.10 -2.42 0.11 0.00 0.00 0.00 0.00 23.12 20.71 2eei s ALA 52 CO 0.43 -2.02 0.60 -3.47 0.00 0.00 0.00 175.76 171.30 2eei n ASP 53 N -3.36 -3.33 -4.31 0.00 -0.08 0.33 -4.62 116.55 101.18 2eei n ASP 53 Ca 0.15 -0.65 -0.38 0.00 -1.51 0.00 0.00 54.79 52.41 2eei n ASP 53 Cb 0.60 -2.76 -0.12 0.00 2.34 0.00 0.00 41.12 41.18 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2eei s ASP 54 N -2.94 5.29 0.10 1.67 1.11 -1.25 -4.55 116.67 116.11 2eei s ASP 54 Ca 0.55 -0.99 -0.32 0.00 0.18 0.00 0.00 52.55 51.97 2eei s ASP 54 Cb -0.30 -1.89 -0.12 0.00 1.07 0.00 0.00 42.92 41.69 2eei s ASP 54 CO 0.68 -0.29 1.77 1.57 1.18 0.00 0.00 175.17 180.08 2eei n HIS 55 N 4.85 2.50 -2.09 4.23 -0.00 -1.26 -3.51 115.22 119.94 2eei n HIS 55 Ca -0.13 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.72 57.17 2eei n HIS 55 Cb 0.46 -2.67 -0.02 0.00 -0.00 0.00 0.00 29.99 27.76 2eei n HIS 55 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2eei s LEU 56 N 2.39 4.41 -0.12 0.27 1.43 -1.00 -3.88 118.68 122.19 2eei s LEU 56 Ca 0.82 2.64 0.03 0.00 -1.03 0.00 0.00 54.13 56.60 2eei s LEU 56 Cb -0.57 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 41.92 2eei s LEU 56 CO 0.39 -0.60 -0.07 -0.38 0.23 0.00 0.00 176.35 175.93 2eei n ILE 57 N 1.63 0.72 -3.63 -0.59 2.08 0.41 -3.65 119.36 116.34 2eei n ILE 57 Ca 0.03 -0.33 -0.06 0.00 0.56 0.00 0.00 62.75 62.96 2eei n ILE 57 Cb 0.41 -0.89 -0.06 0.00 -0.75 0.00 0.00 39.64 38.36 2eei n ILE 57 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2eei s GLU 58 N -2.25 0.29 -0.10 0.38 -1.05 -1.21 -2.34 118.70 112.42 2eei s GLU 58 Ca -0.14 0.19 0.03 0.00 -0.15 0.00 0.00 54.97 54.91 2eei s GLU 58 Cb 0.04 0.14 -0.01 0.00 -0.44 0.00 0.00 34.13 33.86 2eei s GLU 58 CO 0.33 -0.07 -0.20 0.08 0.95 0.00 0.00 175.26 176.35 2eei s VAL 59 N -0.48 2.42 -0.69 1.83 1.01 0.75 -2.14 120.40 123.10 2eei s VAL 59 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2eei s VAL 59 Cb -0.03 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2eei s VAL 59 CO -0.07 0.55 0.00 -3.20 0.00 0.00 0.00 175.10 172.38 2eei n ASN 60 N 3.39 -2.80 0.00 3.32 2.85 0.13 0.12 115.26 122.27 2eei n ASN 60 Ca -0.18 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2eei n ASN 60 Cb 0.53 -2.46 0.00 0.00 1.24 0.00 0.00 39.78 39.09 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eei n GLY 61 N -0.65 0.72 2.88 8.20 0.00 -1.26 -4.87 105.19 110.21 2eei n GLY 61 Ca -0.09 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 2eei n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eei s GLU 62 N -1.58 1.24 -0.29 1.61 -6.30 0.32 -4.97 118.70 108.74 2eei s GLU 62 Ca 0.00 -1.21 -0.42 0.00 -2.50 0.00 0.00 54.97 50.84 2eei s GLU 62 Cb 0.00 -2.53 -0.17 0.00 0.00 0.00 0.00 34.13 31.43 2eei s GLU 62 CO 0.00 -0.81 1.63 0.09 0.02 0.00 0.00 175.26 176.18 2eei n ASN 63 N 4.64 1.85 -0.09 -1.70 4.13 -1.26 -0.18 115.26 122.65 2eei n ASN 63 Ca -0.05 1.12 0.01 0.00 1.68 0.00 0.00 54.58 57.34 2eei n ASN 63 Cb 0.43 -1.06 0.02 0.00 -1.54 0.00 0.00 39.78 37.63 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2eei n VAL 64 N 4.05 0.56 -0.36 2.41 0.24 -0.99 -4.77 118.33 119.48 2eei n VAL 64 Ca 0.27 -0.78 -0.04 0.00 -2.04 0.00 0.00 64.34 61.75 2eei n VAL 64 Cb 0.08 0.73 -0.00 0.00 -1.47 0.00 0.00 33.84 33.18 2eei n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2eei n GLU 65 N -0.15 -0.27 -1.59 7.34 -0.58 -1.23 -0.01 120.64 124.16 2eei n GLU 65 Ca 0.01 1.38 -0.27 0.00 -0.42 0.00 0.00 57.16 57.87 2eei n GLU 65 Cb 0.18 -2.05 0.07 0.00 -0.57 0.00 0.00 31.44 29.07 2eei n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2eei n ASP 66 N -5.27 5.80 -4.81 1.62 5.68 -1.26 -4.01 116.55 114.30 2eei n ASP 66 Ca 0.07 -3.77 -0.36 0.00 -0.50 0.00 0.00 54.79 50.23 2eei n ASP 66 Cb 0.32 -0.65 -0.07 0.00 -1.14 0.00 0.00 41.12 39.58 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2eei s ALA 67 N -3.65 3.79 0.41 2.12 0.00 0.99 -4.91 121.76 120.51 2eei s ALA 67 Ca 0.56 -0.66 -0.25 0.00 0.00 0.00 0.00 51.96 51.62 2eei s ALA 67 Cb 0.45 -2.07 -0.08 0.00 0.00 0.00 0.00 23.12 21.42 2eei s ALA 67 CO 0.02 0.41 1.18 -1.12 0.00 0.00 0.00 175.76 176.24 2eei s SER 68 N -0.39 6.42 0.29 0.00 0.01 -1.26 -4.20 113.70 114.58 2eei s SER 68 Ca 0.12 2.36 -0.01 0.00 1.31 0.00 0.00 55.95 59.73 2eei s SER 68 Cb -0.12 -2.61 0.66 0.00 0.21 0.00 0.00 66.02 64.16 2eei s SER 68 CO 0.01 -0.75 1.58 -0.74 0.41 0.00 0.00 173.24 173.76 2eei h HIS 69 N 2.50 -0.12 -1.00 2.43 2.76 -1.97 1.02 115.15 120.77 2eei h HIS 69 Ca -0.49 0.07 0.10 0.00 -2.20 0.00 0.00 60.37 57.86 2eei h HIS 69 Cb 1.24 0.21 -0.08 0.00 1.55 0.00 0.00 27.41 30.32 2eei h HIS 69 CO 0.54 -0.40 0.64 0.93 -1.30 0.00 0.00 177.93 178.34 2eei h GLU 70 N 0.02 1.02 -0.66 5.26 5.08 -1.98 0.26 114.58 123.58 2eei h GLU 70 Ca 0.55 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.80 2eei h GLU 70 Cb 1.08 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2eei h GLU 70 CO -0.90 0.67 0.19 0.93 -1.00 0.00 0.00 179.01 178.90 2eei h GLU 71 N 1.05 1.03 0.21 2.33 4.39 0.72 -2.31 114.58 122.01 2eei h GLU 71 Ca 0.48 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 2eei h GLU 71 Cb 0.40 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2eei h GLU 71 CO -0.24 0.91 -0.10 0.28 -1.16 0.00 0.00 179.01 178.70 2eei h VAL 72 N 0.96 0.00 -1.54 3.13 2.07 -0.53 -1.61 116.25 118.73 2eei h VAL 72 Ca 0.21 -0.41 0.47 0.00 0.82 0.00 0.00 66.70 67.79 2eei h VAL 72 Cb 0.32 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.00 2eei h VAL 72 CO -0.00 0.00 1.06 1.62 0.02 0.00 0.00 177.57 180.27 2eei h VAL 73 N -0.69 0.14 0.19 2.57 3.04 -0.63 1.18 116.25 122.04 2eei h VAL 73 Ca -0.03 -0.02 -0.31 0.00 -1.01 0.00 0.00 66.70 65.33 2eei h VAL 73 Cb 0.22 0.08 0.02 0.00 -2.01 0.00 0.00 31.29 29.60 2eei h VAL 73 CO 0.05 0.01 -1.43 -0.33 -1.01 0.00 0.00 177.57 174.86 2eei h GLU 74 N 0.05 0.40 0.00 4.17 5.08 -1.46 -3.02 114.58 119.80 2eei h GLU 74 Ca 0.82 -0.68 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2eei h GLU 74 Cb 2.94 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 32.43 2eei h GLU 74 CO -0.20 1.32 -0.41 0.87 -1.00 0.00 0.00 179.01 179.59 2eei h LYS 75 N 0.11 0.00 -0.01 2.33 1.57 0.22 -1.39 116.57 119.41 2eei h LYS 75 Ca -0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2eei h LYS 75 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.39 2eei h LYS 75 CO 0.23 0.41 -0.07 0.28 -0.57 0.00 0.00 179.45 179.72 2eei h VAL 76 N 0.00 1.54 -0.62 0.50 2.07 -0.54 0.18 116.25 119.38 2eei h VAL 76 Ca -0.00 -1.69 -0.09 0.00 0.82 0.00 0.00 66.70 65.73 2eei h VAL 76 Cb 0.83 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 2eei h VAL 76 CO 0.05 0.45 0.02 0.07 0.02 0.00 0.00 177.57 178.18 2eei h LYS 77 N -0.60 1.08 -0.21 1.57 2.10 -1.52 -3.09 116.57 115.90 2eei h LYS 77 Ca -0.01 -0.33 -0.17 0.00 -2.00 0.00 0.00 60.65 58.14 2eei h LYS 77 Cb 0.77 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2eei h LYS 77 CO 0.02 1.04 -0.52 0.87 -2.00 0.00 0.00 179.45 178.85 2eei h LYS 78 N 0.99 0.73 -0.88 0.07 1.57 -1.33 -3.20 116.57 114.52 2eei h LYS 78 Ca 0.18 -0.50 0.35 0.00 -1.87 0.00 0.00 60.65 58.81 2eei h LYS 78 Cb 0.54 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 32.79 2eei h LYS 78 CO 0.03 1.13 0.50 0.43 -0.57 0.00 0.00 179.45 180.97 2eei n SER 79 N -4.11 0.26 0.00 0.86 7.64 0.05 -4.86 113.62 113.46 2eei n SER 79 Ca -0.06 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.12 2eei n SER 79 Cb 0.61 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2eei n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eei n GLY 80 N -1.26 0.67 0.06 0.23 0.00 -1.21 -4.78 105.19 98.89 2eei n GLY 80 Ca 0.31 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2eei n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eei n SER 81 N 0.00 2.71 -4.52 1.61 7.64 -1.26 -4.88 113.62 114.92 2eei n SER 81 Ca 0.00 -0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.61 2eei n SER 81 Cb 0.00 0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 2eei n SER 81 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2eei s ARG 82 N -2.25 1.87 0.09 1.43 0.52 -1.26 -2.43 118.95 116.92 2eei s ARG 82 Ca -0.10 -1.55 -0.11 0.00 -0.52 0.00 0.00 55.73 53.45 2eei s ARG 82 Cb 0.04 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.57 2eei s ARG 82 CO 0.37 0.37 0.25 0.14 0.02 0.00 0.00 175.30 176.45 2eei s VAL 83 N -2.16 0.12 -0.33 3.52 -7.23 -0.91 -4.90 120.40 108.51 2eei s VAL 83 Ca 0.28 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2eei s VAL 83 Cb -0.07 -1.26 0.08 0.00 0.56 0.00 0.00 36.38 35.70 2eei s VAL 83 CO 0.15 -0.54 0.05 -0.32 -0.31 0.00 0.00 175.10 174.13 2eei s MET 84 N -3.74 2.02 -0.18 4.82 1.75 -1.26 -1.50 119.30 121.20 2eei s MET 84 Ca 0.04 -1.60 -0.12 0.00 -1.25 0.00 0.00 55.69 52.76 2eei s MET 84 Cb 0.04 -3.24 -0.05 0.00 2.84 0.00 0.00 34.83 34.42 2eei s MET 84 CO -0.11 -0.82 0.20 -0.06 -0.65 0.00 0.00 175.02 173.59 2eei s PHE 85 N 1.10 3.43 -0.20 4.11 0.08 0.43 0.20 117.98 127.13 2eei s PHE 85 Ca 0.02 0.45 0.01 0.00 0.12 0.00 0.00 56.93 57.53 2eei s PHE 85 Cb -0.20 -2.24 0.04 0.00 -0.57 0.00 0.00 43.02 40.05 2eei s PHE 85 CO -0.05 0.27 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.05 2eei s LEU 86 N 0.41 2.38 0.20 -0.37 2.96 -0.91 0.48 118.68 123.84 2eei s LEU 86 Ca 0.12 -0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 53.12 2eei s LEU 86 Cb -0.12 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 2eei s LEU 86 CO 0.01 -0.12 0.14 -0.76 -1.32 0.00 0.00 176.35 174.30 2eei s LEU 87 N 1.34 1.12 0.17 -0.68 1.02 -1.24 -0.44 118.68 119.96 2eei s LEU 87 Ca -0.01 -1.37 0.05 0.00 0.02 0.00 0.00 54.13 52.83 2eei s LEU 87 Cb -0.16 0.44 -0.04 0.00 0.02 0.00 0.00 46.19 46.45 2eei s LEU 87 CO -0.09 -0.85 0.11 -0.69 0.02 0.00 0.00 176.35 174.85 2eei s VAL 88 N -4.15 4.34 0.66 -1.59 1.01 -1.25 -3.42 120.40 115.99 2eei s VAL 88 Ca 0.38 -1.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 2eei s VAL 88 Cb 0.07 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 2eei s VAL 88 CO 0.12 -0.11 1.22 -0.62 0.00 0.00 0.00 175.10 175.72 2eei s ASP 89 N -3.06 4.69 0.36 3.32 -1.08 -1.26 -4.42 116.67 115.21 2eei s ASP 89 Ca 0.30 2.42 0.10 0.00 -0.52 0.00 0.00 52.55 54.85 2eei s ASP 89 Cb -0.10 -2.60 0.68 0.00 -1.46 0.00 0.00 42.92 39.44 2eei s ASP 89 CO 0.22 -1.93 1.82 0.07 0.52 0.00 0.00 175.17 175.87 2eei h LYS 90 N 0.34 0.12 0.05 4.34 2.10 -1.82 -2.01 116.57 119.70 2eei h LYS 90 Ca -0.49 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.00 2eei h LYS 90 Cb 1.30 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.64 2eei h LYS 90 CO 0.53 0.43 -0.48 0.93 -2.00 0.00 0.00 179.45 178.86 2eei h GLU 91 N 0.11 0.24 -0.04 0.07 5.08 -1.95 -3.35 114.58 114.75 2eei h GLU 91 Ca 0.01 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2eei h GLU 91 Cb 0.61 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2eei h GLU 91 CO 0.04 1.08 -0.06 1.15 -1.00 0.00 0.00 179.01 180.23 2eei h THR 92 N -0.46 0.83 -3.40 1.13 2.02 -1.92 -3.43 112.91 107.68 2eei h THR 92 Ca -0.07 0.00 -0.42 0.00 0.77 0.00 0.00 66.41 66.69 2eei h THR 92 Cb 1.29 0.83 0.20 0.00 -1.74 0.00 0.00 68.15 68.73 2eei h THR 92 CO 0.09 0.00 0.06 1.51 0.37 0.00 0.00 175.52 177.55 2eei s ASP 93 N -5.12 0.67 -0.05 4.18 1.47 -0.76 -5.03 116.67 112.03 2eei s ASP 93 Ca -0.14 0.91 0.01 0.00 1.18 0.00 0.00 52.55 54.51 2eei s ASP 93 Cb 0.08 -1.35 0.02 0.00 -0.34 0.00 0.00 42.92 41.33 2eei s ASP 93 CO 0.67 -4.31 -0.05 -0.54 0.68 0.00 0.00 175.17 171.62 2eei s LYS 94 N -5.10 0.87 0.48 2.11 1.02 -1.26 -4.94 119.74 112.92 2eei s LYS 94 Ca 0.69 -0.11 0.04 0.00 0.02 0.00 0.00 55.97 56.61 2eei s LYS 94 Cb -0.15 -0.88 -0.03 0.00 -0.52 0.00 0.00 37.83 36.25 2eei s LYS 94 CO 0.58 -0.09 0.11 -0.98 -0.92 0.00 0.00 175.35 174.06 2eei s ARG 95 N 0.96 2.17 -0.66 1.68 1.70 -1.26 -5.04 118.95 118.49 2eei s ARG 95 Ca -0.10 -2.15 -0.26 0.00 -0.47 0.00 0.00 55.73 52.74 2eei s ARG 95 Cb -0.14 -1.75 -0.07 0.00 -0.57 0.00 0.00 34.95 32.42 2eei s ARG 95 CO -0.00 -0.29 2.19 -1.01 -1.08 0.00 0.00 175.30 175.11 2eei s HIS 96 N -2.76 1.36 -0.32 5.89 3.76 -1.26 -4.92 115.29 117.04 2eei s HIS 96 Ca 0.24 1.30 -0.15 0.00 -0.15 0.00 0.00 55.06 56.31 2eei s HIS 96 Cb 0.03 -3.76 -0.02 0.00 1.11 0.00 0.00 32.58 29.94 2eei s HIS 96 CO 0.13 -2.12 0.35 0.08 -0.85 0.00 0.00 174.74 172.34 2eei s VAL 97 N 11.64 5.18 0.18 -0.90 1.01 -1.26 -5.04 120.40 131.21 2eei s VAL 97 Ca 0.84 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.80 2eei s VAL 97 Cb -0.13 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.53 2eei s VAL 97 CO 0.16 -0.01 0.57 -1.83 0.00 0.00 0.00 175.10 173.99 2eei s GLU 98 N 2.02 1.35 -0.85 2.72 -1.05 -1.26 -5.07 118.70 116.56 2eei s GLU 98 Ca 0.12 -0.68 -0.18 0.00 -0.15 0.00 0.00 54.97 54.08 2eei s GLU 98 Cb -0.16 0.56 -0.22 0.00 -0.44 0.00 0.00 34.13 33.87 2eei s GLU 98 CO 0.11 -0.58 2.23 0.00 0.95 0.00 0.00 175.26 177.97 2eei n GLN 99 N -0.36 0.29 -0.90 -4.83 0.00 -1.26 -4.86 117.38 105.46 2eei n GLN 99 Ca -0.13 -0.54 -0.34 0.00 0.00 0.00 0.00 57.00 55.99 2eei n GLN 99 Cb 0.63 -2.54 0.10 0.00 0.00 0.00 0.00 30.24 28.43 2eei n GLN 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2eei n LYS 100 N 7.28 -0.16 -4.95 2.61 5.02 -1.26 -5.00 118.16 121.71 2eei n LYS 100 Ca 0.53 -0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 56.48 2eei n LYS 100 Cb 0.32 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.49 2eei n LYS 100 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eei s SER 101 N -1.77 3.86 0.00 4.39 0.15 -1.26 -5.13 113.70 113.94 2eei s SER 101 Ca 0.55 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2eei s SER 101 Cb -0.23 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 2eei s SER 101 CO 0.68 0.33 0.00 0.61 1.20 0.00 0.00 173.24 176.06 2eei n GLY 102 N 2.43 1.75 3.76 9.45 0.00 -1.26 -5.06 105.19 116.25 2eei n GLY 102 Ca -0.17 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2eei n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eei s PRO 103 N 2.95 4.44 -0.08 1.61 0.04 -1.26 -5.04 135.00 137.66 2eei s PRO 103 Ca 0.00 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2eei s PRO 103 Cb 0.00 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 2eei s PRO 103 CO 0.00 -0.10 -0.18 -1.12 0.04 0.00 0.00 177.00 175.64 2eei s SER 104 N -0.32 3.68 0.00 6.66 0.01 -1.26 -5.12 113.70 117.35 2eei s SER 104 Ca 0.50 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.40 2eei s SER 104 Cb -0.37 -1.13 -0.00 0.00 0.21 0.00 0.00 66.02 64.73 2eei s SER 104 CO 0.45 0.25 0.01 -0.44 0.41 0.00 0.00 173.24 173.92 2eei s SER 105 N -0.15 0.06 0.00 2.44 0.01 -1.26 -5.35 113.70 109.45 2eei s SER 105 Ca -0.02 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2eei s SER 105 Cb -0.14 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2eei s SER 105 CO 0.04 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.18