#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 5.95 -4.46 1.61 3.41 -1.26 -4.96 113.62 113.91 2eei n SER 2 Ca 0.00 -2.87 -0.28 0.00 -0.26 0.00 0.00 58.87 55.45 2eei n SER 2 Cb 0.00 -1.27 0.26 0.00 -0.26 0.00 0.00 64.21 62.93 2eei n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2eei n SER 3 N 1.45 -1.76 0.00 4.04 3.41 -1.26 -5.03 113.62 114.47 2eei n SER 3 Ca 0.41 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2eei n SER 3 Cb 0.68 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 2eei n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eei n GLY 4 N 1.05 3.34 2.07 5.00 0.00 -1.26 -5.02 105.19 110.38 2eei n GLY 4 Ca 0.03 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 2eei n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eei n SER 5 N 0.00 6.89 -4.11 1.61 7.64 -1.26 -4.89 113.62 119.50 2eei n SER 5 Ca 0.00 -3.31 -0.16 0.00 1.01 0.00 0.00 58.87 56.41 2eei n SER 5 Cb 0.00 -1.04 -0.12 0.00 -1.01 0.00 0.00 64.21 62.04 2eei n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eei s SER 6 N -0.47 1.24 0.00 6.43 0.15 -1.26 -4.98 113.70 114.81 2eei s SER 6 Ca 0.43 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2eei s SER 6 Cb 0.34 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2eei s SER 6 CO -0.02 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2eei n GLY 7 N 1.54 -0.32 0.53 9.45 0.00 -1.26 -5.01 105.19 110.11 2eei n GLY 7 Ca -0.21 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2eei n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2eei h GLN 8 N 0.00 -1.30 -7.39 1.61 4.20 -2.02 -3.45 115.11 106.77 2eei h GLN 8 Ca 0.00 0.09 -0.42 0.00 0.06 0.00 0.00 58.65 58.38 2eei h GLN 8 Cb 0.00 0.29 0.19 0.00 0.30 0.00 0.00 27.48 28.26 2eei h GLN 8 CO 0.00 -0.86 0.13 -1.25 -0.67 0.00 0.00 178.83 176.18 2eei s PRO 9 N -5.94 -1.14 0.03 1.46 0.04 -1.26 -5.06 135.00 123.13 2eei s PRO 9 Ca -0.20 -0.03 0.02 0.00 0.04 0.00 0.00 61.00 60.83 2eei s PRO 9 Cb 0.02 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.92 2eei s PRO 9 CO 0.59 -3.67 0.02 1.03 0.04 0.00 0.00 177.00 175.02 2eei s ARG 10 N -5.38 2.79 -0.37 4.56 1.81 -1.18 -5.05 118.95 116.14 2eei s ARG 10 Ca 0.71 -0.65 -0.17 0.00 -1.72 0.00 0.00 55.73 53.90 2eei s ARG 10 Cb -0.10 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 2eei s ARG 10 CO 0.56 0.60 0.44 -1.17 -0.68 0.00 0.00 175.30 175.05 2eei s LEU 11 N -1.85 4.55 -0.56 2.53 1.98 -1.26 -3.57 118.68 120.50 2eei s LEU 11 Ca 0.23 -0.32 -0.12 0.00 -2.89 0.00 0.00 54.13 51.02 2eei s LEU 11 Cb -0.12 -2.44 0.14 0.00 0.66 0.00 0.00 46.19 44.44 2eei s LEU 11 CO 0.14 -0.47 0.48 0.00 -1.89 0.00 0.00 176.35 174.61 2eei s TYR 13 N 1.20 3.05 -0.06 0.00 5.04 -1.26 -0.19 117.35 125.13 2eei s TYR 13 Ca 0.07 0.24 -0.13 0.00 -2.44 0.00 0.00 57.07 54.81 2eei s TYR 13 Cb -0.25 -3.49 -0.05 0.00 0.35 0.00 0.00 41.96 38.52 2eei s TYR 13 CO -0.01 -0.87 0.34 -0.51 -1.34 0.00 0.00 175.55 173.16 2eei s LEU 14 N 3.10 4.40 -0.13 6.97 2.01 -0.38 -4.74 118.68 129.91 2eei s LEU 14 Ca 0.28 0.77 -0.00 0.00 0.01 0.00 0.00 54.13 55.19 2eei s LEU 14 Cb -0.13 -2.45 0.03 0.00 0.01 0.00 0.00 46.19 43.65 2eei s LEU 14 CO 0.20 0.28 -0.08 -0.69 1.01 0.00 0.00 176.35 177.07 2eei s VAL 15 N -0.68 1.13 -0.61 -1.59 1.01 -1.26 -0.45 120.40 117.95 2eei s VAL 15 Ca 0.21 -0.43 -0.35 0.00 0.00 0.00 0.00 61.98 61.40 2eei s VAL 15 Cb -0.15 -1.18 -0.16 0.00 0.00 0.00 0.00 36.38 34.89 2eei s VAL 15 CO 0.09 0.32 2.36 0.29 0.00 0.00 0.00 175.10 178.16 2eei n LYS 16 N 4.90 0.41 -0.01 2.72 5.02 -1.10 -4.74 118.16 125.35 2eei n LYS 16 Ca -0.13 0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.20 2eei n LYS 16 Cb 0.49 -1.99 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 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 8.18 0.22 -3.96 1.97 0.00 -1.26 -5.02 120.64 120.77 2eei n GLU 17 Ca 0.53 0.09 -0.27 0.00 0.00 0.00 0.00 57.16 57.50 2eei n GLU 17 Cb 0.12 -0.89 -0.17 0.00 0.00 0.00 0.00 31.44 30.50 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 -4.42 0.88 0.00 8.31 0.00 -1.26 -5.00 107.32 105.83 2eei s GLY 18 Ca -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2eei s GLY 18 CO 0.18 0.72 0.00 0.61 0.00 0.00 0.00 173.10 174.62 2eei n GLY 19 N 4.86 1.15 1.03 0.20 0.00 -1.26 -3.77 105.19 107.40 2eei n GLY 19 Ca -0.14 0.30 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 2eei n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eei n SER 20 N 7.09 0.88 -2.81 1.61 7.64 -1.26 -5.08 113.62 121.69 2eei n SER 20 Ca 0.00 0.11 -0.03 0.00 1.01 0.00 0.00 58.87 59.96 2eei n SER 20 Cb 0.00 -0.27 0.02 0.00 -1.01 0.00 0.00 64.21 62.95 2eei n SER 20 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2eei n TYR 21 N -3.29 -1.30 -1.62 1.43 4.01 -1.25 -4.62 117.16 110.53 2eei n TYR 21 Ca -0.00 -1.07 -0.18 0.00 -0.16 0.00 0.00 57.90 56.48 2eei n TYR 21 Cb 0.00 0.52 0.11 0.00 -0.31 0.00 0.00 39.34 39.67 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 -0.57 5.63 3.22 2.72 0.00 -1.26 -4.83 105.19 110.11 2eei n GLY 22 Ca -0.02 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.50 -0.01 0.11 1.61 -0.12 -1.26 -0.60 117.98 114.20 2eei s PHE 23 Ca 0.52 -0.22 0.08 0.00 -0.05 0.00 0.00 56.93 57.25 2eei s PHE 23 Cb 0.43 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 2eei s PHE 23 CO 0.01 -0.50 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.37 2eei s SER 24 N -2.27 2.44 0.08 1.98 0.01 -0.58 -4.97 113.70 110.38 2eei s SER 24 Ca -0.03 -0.70 0.08 0.00 1.31 0.00 0.00 55.95 56.62 2eei s SER 24 Cb 0.00 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 2eei s SER 24 CO -0.06 0.03 -0.20 -0.76 0.41 0.00 0.00 173.24 172.66 2eei s LEU 25 N -1.98 2.57 -0.16 2.44 1.43 -1.26 -2.74 118.68 118.97 2eei s LEU 25 Ca 0.06 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 2eei s LEU 25 Cb -0.09 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.70 2eei s LEU 25 CO 0.04 0.22 0.50 -1.59 0.23 0.00 0.00 176.35 175.75 2eei s LYS 26 N -1.75 0.65 -0.09 1.70 -2.85 -1.26 -5.01 119.74 111.13 2eei s LYS 26 Ca 0.15 0.56 -0.10 0.00 -1.00 0.00 0.00 55.97 55.58 2eei s LYS 26 Cb -0.10 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 35.93 2eei s LYS 26 CO 0.07 -0.11 0.23 0.95 0.10 0.00 0.00 175.35 176.59 2eei s THR 27 N -0.06 5.35 -0.10 3.79 -4.23 -1.26 -4.12 115.64 115.01 2eei s THR 27 Ca -0.03 0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.92 2eei s THR 27 Cb -0.03 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.31 2eei s THR 27 CO 0.02 0.58 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.85 2eei s VAL 28 N -0.81 1.38 0.27 2.29 1.01 -1.26 -5.11 120.40 118.17 2eei s VAL 28 Ca 0.17 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 2eei s VAL 28 Cb -0.13 -1.27 -0.15 0.00 0.00 0.00 0.00 36.38 34.82 2eei s VAL 28 CO 0.06 0.42 0.65 0.00 0.00 0.00 0.00 175.10 176.23 2eei n GLN 29 N 4.20 0.52 0.00 2.72 0.00 -1.26 -1.13 117.38 122.42 2eei n GLN 29 Ca -0.19 0.18 0.00 0.00 0.00 0.00 0.00 57.00 56.99 2eei n GLN 29 Cb 0.51 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 29.41 2eei n GLN 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2eei n GLY 30 N 1.74 1.71 3.77 2.61 0.00 -1.26 -4.97 105.19 108.79 2eei n GLY 30 Ca 0.14 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 3.99 0.33 1.61 1.02 -0.29 -5.03 119.74 121.38 2eei s LYS 31 Ca 0.00 1.73 -0.07 0.00 0.02 0.00 0.00 55.97 57.64 2eei s LYS 31 Cb 0.00 -2.56 -0.06 0.00 -0.52 0.00 0.00 37.83 34.70 2eei s LYS 31 CO 0.00 -0.34 0.64 -1.59 -0.92 0.00 0.00 175.35 173.14 2eei s LYS 32 N -2.47 3.70 1.55 1.68 -2.85 -1.26 -4.69 119.74 115.40 2eei s LYS 32 Ca 0.59 0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.76 2eei s LYS 32 Cb -0.28 -2.55 0.00 0.00 -2.06 0.00 0.00 37.83 32.95 2eei s LYS 32 CO 0.34 0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.32 2eei n GLY 33 N -1.04 1.39 3.39 0.59 0.00 -0.54 -4.83 105.19 104.14 2eei n GLY 33 Ca -0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.49 -0.11 1.61 -7.23 -1.26 -4.69 120.40 109.20 2eei s VAL 34 Ca 0.00 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.93 2eei s VAL 34 Cb 0.00 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.48 2eei s VAL 34 CO 0.00 0.00 0.59 -0.72 -0.31 0.00 0.00 175.10 174.66 2eei s TYR 35 N -3.49 -0.58 0.15 2.82 -0.85 -1.26 -2.42 117.35 111.72 2eei s TYR 35 Ca 0.33 1.18 -0.31 0.00 -0.52 0.00 0.00 57.07 57.75 2eei s TYR 35 Cb 0.05 0.29 -0.11 0.00 0.38 0.00 0.00 41.96 42.57 2eei s TYR 35 CO 0.17 -0.46 1.79 -1.64 -1.52 0.00 0.00 175.55 173.89 2eei s MET 36 N -0.62 4.14 -0.04 -3.49 -1.94 -1.09 -4.11 119.30 112.14 2eei s MET 36 Ca -0.07 2.59 -0.00 0.00 -1.71 0.00 0.00 55.69 56.49 2eei s MET 36 Cb -0.03 -3.44 -0.02 0.00 2.01 0.00 0.00 34.83 33.35 2eei s MET 36 CO 0.05 -0.81 -0.04 -2.37 -0.01 0.00 0.00 175.02 171.84 2eei n THR 37 N 4.50 0.23 -3.78 2.05 5.66 -1.11 0.23 114.28 122.08 2eei n THR 37 Ca 0.17 -0.08 -0.37 0.00 -3.05 0.00 0.00 64.05 60.72 2eei n THR 37 Cb 0.37 -0.87 -0.13 0.00 -1.55 0.00 0.00 70.33 68.15 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 -4.64 5.15 -0.77 1.09 2.15 -1.26 -4.23 116.67 114.16 2eei s ASP 38 Ca -0.06 -0.94 -0.11 0.00 0.43 0.00 0.00 52.55 51.87 2eei s ASP 38 Cb 0.02 -1.85 0.20 0.00 -0.30 0.00 0.00 42.92 40.99 2eei s ASP 38 CO 0.09 -0.25 0.68 -0.63 -0.17 0.00 0.00 175.17 174.88 2eei s ILE 39 N 1.43 5.09 0.03 4.11 -1.09 -1.26 -1.53 121.20 127.97 2eei s ILE 39 Ca 0.00 -2.61 -0.27 0.00 -2.23 0.00 0.00 60.65 55.54 2eei s ILE 39 Cb -0.18 -4.18 -0.14 0.00 -1.58 0.00 0.00 42.46 36.38 2eei s ILE 39 CO 0.02 -0.99 0.69 0.41 -1.23 0.00 0.00 174.94 173.85 2eei n THR 40 N 3.83 0.26 -2.19 2.92 -1.04 0.23 -4.74 114.28 113.55 2eei n THR 40 Ca 0.12 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.64 2eei n THR 40 Cb 0.44 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.92 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 -0.13 4.30 -1.33 -2.82 0.04 -1.26 -3.04 135.00 130.75 2eei s PRO 41 Ca 0.62 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.58 2eei s PRO 41 Cb -0.87 -3.45 0.08 0.00 0.04 0.00 0.00 34.50 30.31 2eei s PRO 41 CO 0.41 -0.52 0.54 1.04 0.04 0.00 0.00 177.00 178.50 2eei n GLN 42 N 4.80 -3.48 0.00 4.56 3.00 -1.26 -4.93 117.38 120.08 2eei n GLN 42 Ca 0.13 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 2eei n GLN 42 Cb 0.43 -5.20 0.00 0.00 0.00 0.00 0.00 30.24 25.47 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 -1.22 1.97 0.08 1.08 0.00 -1.17 -4.93 105.19 101.01 2eei n GLY 43 Ca -0.01 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 0.92 0.38 1.61 2.07 -1.84 -3.29 116.25 116.09 2eei h VAL 44 Ca 0.00 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 2eei h VAL 44 Cb 0.00 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2eei h VAL 44 CO 0.00 0.31 -0.18 0.00 0.02 0.00 0.00 177.57 177.72 2eei h ALA 45 N -0.49 -0.97 -1.23 1.67 0.00 -1.87 -1.74 119.26 114.63 2eei h ALA 45 Ca -0.15 -0.11 0.44 0.00 0.00 0.00 0.00 54.91 55.09 2eei h ALA 45 Cb 0.93 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 2eei h ALA 45 CO -0.09 -0.93 0.76 1.98 0.00 0.00 0.00 179.25 180.96 2eei h MET 46 N -0.59 0.05 -0.21 0.00 -1.53 -1.74 1.64 114.93 112.54 2eei h MET 46 Ca -0.05 -0.00 -0.16 0.00 -3.44 0.00 0.00 59.70 56.04 2eei h MET 46 Cb 0.39 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.43 2eei h MET 46 CO 0.09 0.03 -0.54 -0.09 0.14 0.00 0.00 176.91 176.54 2eei h ARG 47 N 0.05 0.62 0.00 0.39 1.12 -1.60 -2.84 114.38 112.12 2eei h ARG 47 Ca 0.85 -0.38 0.00 0.00 -1.11 0.00 0.00 59.98 59.33 2eei h ARG 47 Cb 2.52 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 32.52 2eei h ARG 47 CO -0.55 1.00 0.00 0.00 -3.11 0.00 0.00 179.97 177.30 2eei h ALA 48 N 0.93 1.00 0.00 2.80 0.00 0.33 -3.46 119.26 120.87 2eei h ALA 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2eei h ALA 48 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2eei h ALA 48 CO 0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2eei n GLY 49 N -0.63 1.87 3.75 0.00 0.00 -0.89 -4.62 105.19 104.66 2eei n GLY 49 Ca -0.01 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 5.42 0.40 1.61 0.11 -1.22 -4.93 120.40 119.78 2eei s VAL 50 Ca 0.00 0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 2eei s VAL 50 Cb 0.00 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.37 2eei s VAL 50 CO 0.00 0.46 0.61 -0.76 -3.33 0.00 0.00 175.10 172.08 2eei s LEU 51 N 0.19 3.84 0.91 2.54 1.43 -1.26 -4.44 118.68 121.89 2eei s LEU 51 Ca 0.09 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.42 2eei s LEU 51 Cb -0.11 -3.23 0.14 0.00 0.03 0.00 0.00 46.19 43.02 2eei s LEU 51 CO -0.01 -0.49 1.15 0.00 0.23 0.00 0.00 176.35 177.22 2eei s ALA 52 N -2.43 1.86 -0.74 4.21 0.00 -1.26 -3.67 121.76 119.73 2eei s ALA 52 Ca 0.44 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2eei s ALA 52 Cb -0.10 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2eei s ALA 52 CO 0.37 -2.26 0.00 -0.25 0.00 0.00 0.00 175.76 173.62 2eei n ASP 53 N -3.74 -2.60 -4.51 0.00 9.92 0.64 -4.76 116.55 111.50 2eei n ASP 53 Ca 0.07 0.27 -0.43 0.00 -0.53 0.00 0.00 54.79 54.17 2eei n ASP 53 Cb 0.59 -2.38 -0.04 0.00 -0.64 0.00 0.00 41.12 38.66 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2eei s ASP 54 N -1.90 6.27 -0.32 -2.24 1.01 -0.82 -4.68 116.67 113.99 2eei s ASP 54 Ca 0.00 -0.52 -0.37 0.00 0.71 0.00 0.00 52.55 52.36 2eei s ASP 54 Cb 0.00 -2.45 -0.13 0.00 1.01 0.00 0.00 42.92 41.34 2eei s ASP 54 CO 0.00 -1.39 2.03 1.57 0.21 0.00 0.00 175.17 177.59 2eei n HIS 55 N 7.85 1.77 -1.92 4.23 -0.00 -1.26 -2.66 115.22 123.24 2eei n HIS 55 Ca 0.01 0.36 -0.40 0.00 0.46 0.00 0.00 57.72 58.15 2eei n HIS 55 Cb 0.47 -2.51 0.01 0.00 -0.12 0.00 0.00 29.99 27.84 2eei n HIS 55 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2eei s LEU 56 N 5.86 4.16 -0.11 0.27 2.96 -1.01 -3.57 118.68 127.24 2eei s LEU 56 Ca 1.06 2.80 -0.07 0.00 -0.22 0.00 0.00 54.13 57.70 2eei s LEU 56 Cb -0.95 -3.92 -0.05 0.00 0.50 0.00 0.00 46.19 41.77 2eei s LEU 56 CO 0.55 -1.02 -0.17 -0.38 -1.32 0.00 0.00 176.35 174.02 2eei n ILE 57 N -0.03 0.84 -3.78 6.68 2.08 0.60 -4.56 119.36 121.19 2eei n ILE 57 Ca 0.04 -0.09 -0.07 0.00 0.56 0.00 0.00 62.75 63.19 2eei n ILE 57 Cb 0.43 -1.73 -0.02 0.00 -0.75 0.00 0.00 39.64 37.57 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 -2.27 1.57 -0.07 0.38 -1.05 -1.22 -2.06 118.70 113.98 2eei s GLU 58 Ca -0.17 -0.84 0.01 0.00 -0.15 0.00 0.00 54.97 53.82 2eei s GLU 58 Cb 0.06 0.56 0.02 0.00 -0.44 0.00 0.00 34.13 34.32 2eei s GLU 58 CO 0.22 -0.72 -0.08 0.08 0.95 0.00 0.00 175.26 175.71 2eei s VAL 59 N -3.74 0.90 -1.54 1.83 1.01 -0.69 -2.68 120.40 115.50 2eei s VAL 59 Ca 0.10 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 2eei s VAL 59 Cb -0.04 -0.87 0.10 0.00 0.00 0.00 0.00 36.38 35.56 2eei s VAL 59 CO 0.03 0.31 0.87 0.59 0.00 0.00 0.00 175.10 176.91 2eei n ASN 60 N 4.19 -4.47 -2.01 3.32 3.02 -0.11 -1.58 115.26 117.62 2eei n ASN 60 Ca -0.20 -0.75 -0.09 0.00 -0.03 0.00 0.00 54.58 53.50 2eei n ASN 60 Cb 0.51 -3.60 0.04 0.00 -0.61 0.00 0.00 39.78 36.12 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eei n GLY 61 N -1.56 0.17 2.69 7.41 0.00 -1.26 -4.97 105.19 107.66 2eei n GLY 61 Ca 0.04 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 2eei n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eei s GLU 62 N -5.06 0.13 -0.28 1.61 2.02 -0.62 -5.10 118.70 111.40 2eei s GLU 62 Ca 0.12 0.07 -0.37 0.00 0.02 0.00 0.00 54.97 54.81 2eei s GLU 62 Cb -0.05 -1.48 -0.13 0.00 0.10 0.00 0.00 34.13 32.56 2eei s GLU 62 CO 0.33 -0.67 1.98 -1.71 0.02 0.00 0.00 175.26 175.22 2eei n ASN 63 N 5.30 2.42 -0.03 -0.19 4.05 -1.26 -1.71 115.26 123.84 2eei n ASN 63 Ca -0.06 0.75 0.01 0.00 0.45 0.00 0.00 54.58 55.73 2eei n ASN 63 Cb 0.49 -1.23 0.01 0.00 1.23 0.00 0.00 39.78 40.29 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 2eei n VAL 64 N 5.93 0.73 -0.12 3.44 0.24 -0.88 -4.71 118.33 122.95 2eei n VAL 64 Ca 0.33 -0.76 -0.06 0.00 -2.04 0.00 0.00 64.34 61.80 2eei n VAL 64 Cb 0.20 0.58 -0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2eei n VAL 64 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2eei h GLU 65 N 0.00 -0.20 0.00 7.34 4.39 -1.66 -1.49 114.58 122.96 2eei h GLU 65 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2eei h GLU 65 Cb 0.74 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2eei h GLU 65 CO 0.00 -0.13 -0.81 0.38 -1.16 0.00 0.00 179.01 177.28 2eei h ASP 66 N -0.21 0.00 -3.23 1.42 2.03 -1.89 -1.43 116.42 113.11 2eei h ASP 66 Ca 0.19 -0.16 -0.56 0.00 -0.73 0.00 0.00 57.03 55.77 2eei h ASP 66 Cb 0.51 0.00 0.10 0.00 -0.83 0.00 0.00 39.33 39.10 2eei h ASP 66 CO -0.53 0.08 0.67 0.00 -1.03 0.00 0.00 179.24 178.43 2eei n ALA 67 N -1.95 1.73 -1.30 4.15 0.00 -0.56 -4.16 120.51 118.41 2eei n ALA 67 Ca 0.02 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 2eei n ALA 67 Cb 0.48 -2.34 0.13 0.00 0.00 0.00 0.00 19.45 17.72 2eei n ALA 67 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2eei s SER 68 N 0.07 3.64 0.19 0.00 0.01 -1.26 -3.99 113.70 112.36 2eei s SER 68 Ca 0.60 1.39 -0.13 0.00 1.31 0.00 0.00 55.95 59.13 2eei s SER 68 Cb -0.56 -2.08 0.11 0.00 0.21 0.00 0.00 66.02 63.71 2eei s SER 68 CO 0.56 -2.52 1.84 -0.74 0.41 0.00 0.00 173.24 172.78 2eei h HIS 69 N -1.47 0.69 -0.07 2.43 2.76 -1.93 -1.35 115.15 116.21 2eei h HIS 69 Ca -0.49 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 57.72 2eei h HIS 69 Cb 1.29 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 30.01 2eei h HIS 69 CO 0.42 0.41 0.06 0.93 -1.30 0.00 0.00 177.93 178.45 2eei h GLU 70 N 0.74 0.00 -0.02 5.26 3.07 -2.00 0.15 114.58 121.78 2eei h GLU 70 Ca 0.23 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.85 2eei h GLU 70 Cb -0.03 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2eei h GLU 70 CO -0.08 0.00 -0.93 0.93 -1.40 0.00 0.00 179.01 177.53 2eei h GLU 71 N 0.00 0.52 0.16 2.33 3.07 -1.62 -3.26 114.58 115.77 2eei h GLU 71 Ca 0.04 -0.53 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 2eei h GLU 71 Cb 0.15 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2eei h GLU 71 CO -0.00 1.16 -0.08 0.28 -1.40 0.00 0.00 179.01 178.97 2eei h VAL 72 N 0.30 0.00 -0.69 3.13 2.07 -0.63 -2.92 116.25 117.51 2eei h VAL 72 Ca -0.09 -0.83 0.11 0.00 0.82 0.00 0.00 66.70 66.71 2eei h VAL 72 Cb 1.57 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.23 2eei h VAL 72 CO 0.17 0.00 -0.27 0.55 0.02 0.00 0.00 177.57 178.04 2eei n VAL 73 N -4.89 -0.36 -0.16 2.57 3.14 0.42 0.17 118.33 119.20 2eei n VAL 73 Ca -0.03 1.62 -0.09 0.00 -2.96 0.00 0.00 64.34 62.88 2eei n VAL 73 Cb 0.09 -2.14 0.00 0.00 -1.06 0.00 0.00 33.84 30.73 2eei n VAL 73 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2eei h GLU 74 N 0.00 0.74 -0.57 1.45 4.11 -1.69 -2.55 114.58 116.06 2eei h GLU 74 Ca 0.24 -0.16 0.10 0.00 0.07 0.00 0.00 59.36 59.60 2eei h GLU 74 Cb 0.41 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2eei h GLU 74 CO -0.69 0.71 0.38 0.87 0.07 0.00 0.00 179.01 180.36 2eei h LYS 75 N 0.63 0.36 0.50 1.06 1.57 0.19 -0.89 116.57 119.99 2eei h LYS 75 Ca 0.15 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2eei h LYS 75 Cb 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2eei h LYS 75 CO -0.00 0.24 -0.24 0.28 -0.57 0.00 0.00 179.45 179.15 2eei h VAL 76 N 0.37 0.00 -0.86 0.50 2.07 -0.32 -1.25 116.25 116.76 2eei h VAL 76 Ca 0.26 -0.29 0.19 0.00 0.82 0.00 0.00 66.70 67.69 2eei h VAL 76 Cb 0.55 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 2eei h VAL 76 CO -0.07 0.00 0.57 0.07 0.02 0.00 0.00 177.57 178.17 2eei h LYS 77 N -0.96 0.38 -0.19 1.57 2.10 -1.29 -0.75 116.57 117.43 2eei h LYS 77 Ca -0.07 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.50 2eei h LYS 77 Cb 0.52 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2eei h LYS 77 CO 0.11 0.25 -0.09 0.87 -2.00 0.00 0.00 179.45 178.59 2eei h LYS 78 N 0.39 0.40 -0.71 0.07 1.57 -1.15 -3.14 116.57 113.99 2eei h LYS 78 Ca 0.44 -0.17 0.27 0.00 -1.87 0.00 0.00 60.65 59.32 2eei h LYS 78 Cb 1.11 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.28 2eei h LYS 78 CO -0.15 0.69 0.29 0.45 -0.57 0.00 0.00 179.45 180.16 2eei n SER 79 N -4.58 0.16 0.00 0.86 2.88 -0.29 -4.86 113.62 107.80 2eei n SER 79 Ca -0.05 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2eei n SER 79 Cb 0.32 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2eei n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eei n GLY 80 N -1.23 0.32 0.10 0.46 0.00 -1.19 -4.80 105.19 98.86 2eei n GLY 80 Ca 0.24 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 1.86 -4.73 1.61 7.64 -1.26 -4.89 113.62 113.84 2eei n SER 81 Ca 0.00 0.48 -0.23 0.00 1.01 0.00 0.00 58.87 60.13 2eei n SER 81 Cb 0.00 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.23 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 -2.36 2.60 0.20 1.43 3.00 -1.26 -2.72 118.95 119.83 2eei s ARG 82 Ca -0.25 -1.23 -0.00 0.00 0.00 0.00 0.00 55.73 54.25 2eei s ARG 82 Cb 0.05 -2.36 -0.04 0.00 0.00 0.00 0.00 34.95 32.60 2eei s ARG 82 CO 0.46 0.39 0.09 0.14 0.00 0.00 0.00 175.30 176.38 2eei s VAL 83 N -2.19 0.24 -0.32 3.52 -7.23 0.41 -4.88 120.40 109.94 2eei s VAL 83 Ca 0.32 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2eei s VAL 83 Cb -0.07 -2.40 0.09 0.00 0.56 0.00 0.00 36.38 34.56 2eei s VAL 83 CO 0.22 -0.15 0.05 -0.32 -0.31 0.00 0.00 175.10 174.59 2eei s MET 84 N -4.08 1.31 -0.25 4.82 1.75 -1.26 -1.25 119.30 120.34 2eei s MET 84 Ca 0.34 -1.55 -0.13 0.00 -1.25 0.00 0.00 55.69 53.09 2eei s MET 84 Cb 0.07 -2.80 -0.04 0.00 2.84 0.00 0.00 34.83 34.90 2eei s MET 84 CO 0.09 -0.91 0.30 -0.06 -0.65 0.00 0.00 175.02 173.80 2eei s PHE 85 N 1.15 3.29 -0.24 4.11 0.08 0.73 -0.93 117.98 126.17 2eei s PHE 85 Ca 0.08 0.37 -0.04 0.00 0.12 0.00 0.00 56.93 57.47 2eei s PHE 85 Cb -0.19 -2.46 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2eei s PHE 85 CO -0.13 -0.10 -0.03 -1.17 -0.10 0.00 0.00 175.22 173.70 2eei s LEU 86 N 1.60 3.09 0.24 -0.37 2.96 -1.09 -0.55 118.68 124.56 2eei s LEU 86 Ca 0.13 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2eei s LEU 86 Cb -0.15 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2eei s LEU 86 CO 0.08 -0.07 0.19 -0.76 -1.32 0.00 0.00 176.35 174.47 2eei s LEU 87 N 1.44 1.24 0.21 -0.68 1.02 -1.23 -0.29 118.68 120.39 2eei s LEU 87 Ca 0.04 -1.45 0.11 0.00 0.02 0.00 0.00 54.13 52.85 2eei s LEU 87 Cb -0.15 0.52 -0.05 0.00 0.02 0.00 0.00 46.19 46.53 2eei s LEU 87 CO -0.03 -0.92 -0.20 -0.69 0.02 0.00 0.00 176.35 174.54 2eei s VAL 88 N -3.96 2.56 0.87 -1.59 1.01 -1.23 -3.08 120.40 114.98 2eei s VAL 88 Ca 0.38 -2.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.21 2eei s VAL 88 Cb 0.05 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 34.28 2eei s VAL 88 CO 0.16 -0.19 1.14 -1.81 0.00 0.00 0.00 175.10 174.39 2eei s ASP 89 N -2.92 3.34 0.11 3.32 1.11 -1.26 -4.02 116.67 116.34 2eei s ASP 89 Ca 0.24 2.11 0.01 0.00 0.18 0.00 0.00 52.55 55.09 2eei s ASP 89 Cb -0.07 -2.56 -0.21 0.00 1.07 0.00 0.00 42.92 41.15 2eei s ASP 89 CO 0.12 -2.82 1.24 0.50 1.18 0.00 0.00 175.17 175.39 2eei h LYS 90 N -1.64 0.15 -0.07 8.23 1.63 -1.86 -3.01 116.57 120.01 2eei h LYS 90 Ca -0.43 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.10 2eei h LYS 90 Cb 1.26 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2eei h LYS 90 CO 0.44 1.09 -0.08 0.93 -3.45 0.00 0.00 179.45 178.38 2eei h GLU 91 N 0.05 0.18 0.89 1.90 5.08 -1.97 -3.33 114.58 117.37 2eei h GLU 91 Ca -0.07 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2eei h GLU 91 Cb 1.81 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.07 2eei h GLU 91 CO 0.16 0.64 -0.48 1.15 -1.00 0.00 0.00 179.01 179.49 2eei h THR 92 N -0.27 0.04 -3.86 1.13 2.02 -1.96 -3.42 112.91 106.58 2eei h THR 92 Ca 0.01 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.66 2eei h THR 92 Cb 0.61 0.04 0.08 0.00 -1.74 0.00 0.00 68.15 67.14 2eei h THR 92 CO 0.02 0.00 0.72 -1.81 0.37 0.00 0.00 175.52 174.82 2eei s ASP 93 N -4.10 6.56 -0.48 4.18 1.11 -1.14 -4.99 116.67 117.81 2eei s ASP 93 Ca -0.19 2.86 0.03 0.00 0.18 0.00 0.00 52.55 55.43 2eei s ASP 93 Cb 0.03 -2.66 0.15 0.00 1.07 0.00 0.00 42.92 41.51 2eei s ASP 93 CO 0.60 -0.71 0.32 -1.59 1.18 0.00 0.00 175.17 174.98 2eei s LYS 94 N -1.79 1.39 -0.17 8.23 -2.85 -1.26 -4.84 119.74 118.45 2eei s LYS 94 Ca 0.52 -2.29 -0.07 0.00 -1.00 0.00 0.00 55.97 53.13 2eei s LYS 94 Cb -0.43 -2.25 -0.04 0.00 -2.06 0.00 0.00 37.83 33.05 2eei s LYS 94 CO 0.57 -1.26 0.07 0.50 0.10 0.00 0.00 175.35 175.33 2eei s ARG 95 N -0.09 3.87 -1.07 1.78 6.06 -1.26 -5.02 118.95 123.22 2eei s ARG 95 Ca 0.24 -0.31 -0.23 0.00 -2.50 0.00 0.00 55.73 52.93 2eei s ARG 95 Cb -0.12 -3.20 -0.03 0.00 0.06 0.00 0.00 34.95 31.66 2eei s ARG 95 CO -0.09 0.37 1.85 -1.01 -2.50 0.00 0.00 175.30 173.91 2eei s HIS 96 N 0.11 2.08 0.18 5.12 3.76 -1.26 -4.94 115.29 120.34 2eei s HIS 96 Ca 0.06 0.08 0.04 0.00 -0.15 0.00 0.00 55.06 55.09 2eei s HIS 96 Cb -0.12 -4.21 -0.04 0.00 1.11 0.00 0.00 32.58 29.32 2eei s HIS 96 CO 0.00 -1.59 0.22 0.08 -0.85 0.00 0.00 174.74 172.61 2eei s VAL 97 N 8.97 4.86 -0.27 -0.90 1.01 -1.26 -5.11 120.40 127.70 2eei s VAL 97 Ca 0.64 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2eei s VAL 97 Cb -0.02 -3.53 0.16 0.00 0.00 0.00 0.00 36.38 32.98 2eei s VAL 97 CO 0.04 -0.16 0.48 -1.83 0.00 0.00 0.00 175.10 173.62 2eei s GLU 98 N -3.36 0.44 0.27 2.72 4.04 -1.26 -5.02 118.70 116.54 2eei s GLU 98 Ca 0.33 0.76 0.15 0.00 0.04 0.00 0.00 54.97 56.25 2eei s GLU 98 Cb -0.10 -0.01 0.99 0.00 0.02 0.00 0.00 34.13 35.03 2eei s GLU 98 CO 0.26 -0.62 1.17 0.00 -1.84 0.00 0.00 175.26 174.23 2eei n GLN 99 N 5.39 -0.04 -3.60 -4.83 10.64 -1.26 -4.59 117.38 119.09 2eei n GLN 99 Ca -0.03 1.03 -0.05 0.00 -1.83 0.00 0.00 57.00 56.12 2eei n GLN 99 Cb 0.50 -1.84 -0.03 0.00 -0.86 0.00 0.00 30.24 28.01 2eei n GLN 99 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2eei s LYS 100 N -5.14 0.30 -0.29 2.61 2.20 -1.26 -5.09 119.74 113.07 2eei s LYS 100 Ca -0.07 -0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 2eei s LYS 100 Cb 0.25 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 2eei s LYS 100 CO 0.58 -0.11 1.64 -1.12 -0.36 0.00 0.00 175.35 175.98 2eei s SER 101 N -1.62 6.21 0.45 1.43 0.01 -1.26 -4.95 113.70 113.98 2eei s SER 101 Ca 0.07 1.38 -0.22 0.00 1.31 0.00 0.00 55.95 58.49 2eei s SER 101 Cb -0.01 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.58 2eei s SER 101 CO -0.04 -1.44 0.65 0.61 0.41 0.00 0.00 173.24 173.43 2eei n GLY 102 N 4.99 -1.19 3.65 3.44 0.00 -1.26 -4.85 105.19 109.97 2eei n GLY 102 Ca 0.20 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.80 4.09 -1.43 1.61 0.04 -1.26 -4.92 135.00 131.33 2eei s PRO 103 Ca 0.65 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 63.49 2eei s PRO 103 Cb -0.56 -3.94 0.06 0.00 0.04 0.00 0.00 34.50 30.09 2eei s PRO 103 CO 0.57 -0.93 2.32 -1.13 0.04 0.00 0.00 177.00 177.87 2eei n SER 104 N 7.35 5.80 -4.16 6.66 3.41 -1.26 -4.63 113.62 126.79 2eei n SER 104 Ca 0.17 -2.89 -0.31 0.00 -0.26 0.00 0.00 58.87 55.58 2eei n SER 104 Cb 0.44 -1.55 -0.08 0.00 -0.26 0.00 0.00 64.21 62.75 2eei n SER 104 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2eei n SER 105 N 4.39 0.12 0.00 4.04 7.64 -1.26 -5.35 113.62 123.20 2eei n SER 105 Ca 0.56 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2eei n SER 105 Cb 0.33 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2eei n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64