#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eei s SER 2 N 0.00 7.11 0.34 1.61 1.04 -1.26 -5.04 113.70 117.50 2eei s SER 2 Ca 0.00 1.36 -0.21 0.00 0.48 0.00 0.00 55.95 57.58 2eei s SER 2 Cb 0.00 -2.49 -0.10 0.00 0.10 0.00 0.00 66.02 63.53 2eei s SER 2 CO 0.00 -0.33 0.86 -0.55 0.98 0.00 0.00 173.24 174.20 2eei s SER 3 N 1.04 7.02 -0.50 7.02 0.15 -1.26 -5.04 113.70 122.12 2eei s SER 3 Ca 0.43 1.58 0.03 0.00 0.70 0.00 0.00 55.95 58.69 2eei s SER 3 Cb -0.18 -2.49 0.13 0.00 -1.71 0.00 0.00 66.02 61.78 2eei s SER 3 CO 0.18 -0.18 0.26 -0.83 1.20 0.00 0.00 173.24 173.87 2eei s GLY 4 N -1.97 2.20 -1.51 9.45 0.00 -1.26 -4.82 107.32 109.42 2eei s GLY 4 Ca 0.54 -3.07 -0.09 0.00 0.00 0.00 0.00 44.72 42.10 2eei s GLY 4 CO 0.18 1.20 0.74 -1.26 0.00 0.00 0.00 173.10 173.96 2eei n SER 5 N 3.20 -2.66 -3.91 1.64 2.88 -1.26 -4.96 113.62 108.55 2eei n SER 5 Ca 0.07 -0.90 -0.29 0.00 -1.33 0.00 0.00 58.87 56.42 2eei n SER 5 Cb 0.33 -3.42 -0.16 0.00 -0.75 0.00 0.00 64.21 60.21 2eei n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2eei s SER 6 N -3.76 3.11 -0.09 -3.46 0.15 -1.26 -4.98 113.70 103.41 2eei s SER 6 Ca 0.40 -0.79 0.23 0.00 0.70 0.00 0.00 55.95 56.48 2eei s SER 6 Cb -0.21 -1.01 0.42 0.00 -1.71 0.00 0.00 66.02 63.51 2eei s SER 6 CO 0.87 -0.19 1.15 0.61 1.20 0.00 0.00 173.24 176.88 2eei n GLY 7 N 4.81 1.23 0.48 9.45 0.00 -1.26 -4.95 105.19 114.95 2eei n GLY 7 Ca -0.12 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 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 1.39 -0.68 -7.39 1.61 4.20 -2.02 -3.43 115.11 108.79 2eei h GLN 8 Ca -0.24 0.05 -0.41 0.00 0.06 0.00 0.00 58.65 58.10 2eei h GLN 8 Cb 1.65 0.15 0.19 0.00 0.30 0.00 0.00 27.48 29.78 2eei h GLN 8 CO 0.08 -0.45 0.13 -1.25 -0.67 0.00 0.00 178.83 176.67 2eei s PRO 9 N -5.74 -1.20 0.06 1.46 0.04 -1.26 -5.02 135.00 123.33 2eei s PRO 9 Ca -0.16 -0.06 0.04 0.00 0.04 0.00 0.00 61.00 60.86 2eei s PRO 9 Cb 0.06 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.97 2eei s PRO 9 CO 0.61 -3.70 -0.01 1.03 0.04 0.00 0.00 177.00 174.96 2eei s ARG 10 N -5.40 2.58 -0.29 4.56 0.52 -1.14 -5.05 118.95 114.73 2eei s ARG 10 Ca 0.71 -0.78 -0.11 0.00 -0.52 0.00 0.00 55.73 55.03 2eei s ARG 10 Cb -0.10 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 2eei s ARG 10 CO 0.56 0.57 0.17 -1.17 0.02 0.00 0.00 175.30 175.45 2eei s LEU 11 N -2.01 4.04 -0.37 2.53 1.98 -1.26 -3.35 118.68 120.24 2eei s LEU 11 Ca 0.23 -0.21 -0.09 0.00 -2.89 0.00 0.00 54.13 51.17 2eei s LEU 11 Cb -0.12 -2.07 0.04 0.00 0.66 0.00 0.00 46.19 44.70 2eei s LEU 11 CO 0.15 -0.11 0.18 0.00 -1.89 0.00 0.00 176.35 174.68 2eei s TYR 13 N 1.48 3.05 0.14 0.00 5.04 -1.26 0.30 117.35 126.08 2eei s TYR 13 Ca 0.01 -0.63 -0.24 0.00 -2.44 0.00 0.00 57.07 53.77 2eei s TYR 13 Cb -0.20 -3.61 -0.08 0.00 0.35 0.00 0.00 41.96 38.43 2eei s TYR 13 CO 0.05 -1.07 0.72 -0.51 -1.34 0.00 0.00 175.55 173.40 2eei s LEU 14 N 2.60 4.57 -0.10 6.97 2.01 0.04 -4.72 118.68 130.05 2eei s LEU 14 Ca 0.14 1.54 0.01 0.00 0.01 0.00 0.00 54.13 55.83 2eei s LEU 14 Cb -0.20 -3.19 0.02 0.00 0.01 0.00 0.00 46.19 42.83 2eei s LEU 14 CO 0.11 0.22 -0.12 -0.69 1.01 0.00 0.00 176.35 176.87 2eei s VAL 15 N -1.08 1.29 -0.94 -1.59 1.01 -1.26 -1.05 120.40 116.78 2eei s VAL 15 Ca 0.34 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 2eei s VAL 15 Cb -0.22 -1.22 -0.15 0.00 0.00 0.00 0.00 36.38 34.79 2eei s VAL 15 CO 0.24 0.40 2.21 -0.54 0.00 0.00 0.00 175.10 177.41 2eei s LYS 16 N 1.15 1.65 -0.18 2.72 1.02 -0.98 -4.63 119.74 120.50 2eei s LYS 16 Ca -0.04 -0.08 -0.16 0.00 0.02 0.00 0.00 55.97 55.71 2eei s LYS 16 Cb -0.14 -4.93 -0.06 0.00 -0.52 0.00 0.00 37.83 32.17 2eei s LYS 16 CO -0.03 -4.64 -0.29 0.39 -0.92 0.00 0.00 175.35 169.86 2eei n GLU 17 N 8.55 0.52 -4.61 1.68 -0.58 -1.26 -4.97 120.64 119.97 2eei n GLU 17 Ca 0.44 0.31 -0.31 0.00 -0.42 0.00 0.00 57.16 57.18 2eei n GLU 17 Cb 0.45 -1.51 -0.17 0.00 -0.57 0.00 0.00 31.44 29.64 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2eei s GLY 18 N -4.79 1.23 0.00 0.62 0.00 -1.26 -5.02 107.32 98.09 2eei s GLY 18 Ca -0.26 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.51 2eei s GLY 18 CO 0.39 0.06 0.00 0.61 0.00 0.00 0.00 173.10 174.16 2eei n GLY 19 N 4.09 3.07 0.31 0.20 0.00 -1.26 -3.97 105.19 107.63 2eei n GLY 19 Ca -0.20 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 2eei n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eei n SER 20 N 10.15 0.21 -2.37 1.61 2.88 -1.26 -5.03 113.62 119.80 2eei n SER 20 Ca 0.00 0.03 -0.03 0.00 -1.33 0.00 0.00 58.87 57.54 2eei n SER 20 Cb 0.00 -0.38 0.02 0.00 -0.75 0.00 0.00 64.21 63.09 2eei n SER 20 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2eei n TYR 21 N -2.71 -1.31 -1.38 0.66 4.01 -1.25 -4.67 117.16 110.51 2eei n TYR 21 Ca -0.01 -0.92 -0.01 0.00 -0.16 0.00 0.00 57.90 56.80 2eei n TYR 21 Cb 0.05 0.45 0.21 0.00 -0.31 0.00 0.00 39.34 39.73 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 -0.43 4.81 3.00 2.72 0.00 -1.26 -4.89 105.19 109.14 2eei n GLY 22 Ca -0.03 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.17 0.40 0.06 1.61 -0.71 -1.26 0.74 117.98 115.66 2eei s PHE 23 Ca 0.43 -0.48 0.10 0.00 -1.04 0.00 0.00 56.93 55.93 2eei s PHE 23 Cb 0.39 -0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 2eei s PHE 23 CO 0.00 -0.14 -0.26 -1.12 -1.34 0.00 0.00 175.22 172.36 2eei s SER 24 N -1.39 3.16 -0.06 1.98 0.01 0.54 -4.97 113.70 112.96 2eei s SER 24 Ca -0.13 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.54 2eei s SER 24 Cb -0.09 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 2eei s SER 24 CO -0.00 0.23 -0.14 -0.76 0.41 0.00 0.00 173.24 172.98 2eei s LEU 25 N -1.43 2.74 -0.24 2.44 1.43 -1.26 -1.75 118.68 120.61 2eei s LEU 25 Ca 0.12 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 2eei s LEU 25 Cb -0.10 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.62 2eei s LEU 25 CO 0.03 0.32 0.59 -1.59 0.23 0.00 0.00 176.35 175.93 2eei s LYS 26 N -0.57 0.63 0.43 1.70 -2.85 -1.26 -4.99 119.74 112.84 2eei s LYS 26 Ca 0.08 1.00 -0.23 0.00 -1.00 0.00 0.00 55.97 55.82 2eei s LYS 26 Cb -0.11 0.16 -0.09 0.00 -2.06 0.00 0.00 37.83 35.73 2eei s LYS 26 CO 0.01 -0.13 1.05 0.95 0.10 0.00 0.00 175.35 177.33 2eei s THR 27 N 1.19 3.73 -0.16 3.79 -4.23 -1.26 -4.22 115.64 114.48 2eei s THR 27 Ca -0.07 1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 61.66 2eei s THR 27 Cb -0.06 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 2eei s THR 27 CO -0.12 -0.08 -0.10 0.68 -0.54 0.00 0.00 174.62 174.46 2eei s VAL 28 N -1.77 3.14 0.26 2.29 -7.23 -1.26 -5.09 120.40 110.74 2eei s VAL 28 Ca 0.61 -0.61 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 2eei s VAL 28 Cb -0.20 -2.35 -0.12 0.00 0.56 0.00 0.00 36.38 34.26 2eei s VAL 28 CO 0.25 0.50 1.55 0.00 -0.31 0.00 0.00 175.10 177.08 2eei n GLN 29 N 3.94 2.44 0.00 4.82 10.64 -1.26 -1.47 117.38 136.49 2eei n GLN 29 Ca -0.18 0.87 0.00 0.00 -1.83 0.00 0.00 57.00 55.86 2eei n GLN 29 Cb 0.52 -2.62 0.00 0.00 -0.86 0.00 0.00 30.24 27.28 2eei n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2eei n GLY 30 N 2.45 2.63 3.87 2.61 0.00 -1.26 -4.97 105.19 110.51 2eei n GLY 30 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.01 3.59 0.38 1.61 1.02 -0.54 -5.10 119.74 120.68 2eei s LYS 31 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 55.97 55.96 2eei s LYS 31 Cb 0.00 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 2eei s LYS 31 CO 0.00 0.72 0.63 0.15 -0.92 0.00 0.00 175.35 175.93 2eei s LYS 32 N -1.28 3.55 0.30 1.68 1.02 -1.26 -4.38 119.74 119.37 2eei s LYS 32 Ca 0.21 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.13 2eei s LYS 32 Cb -0.13 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 2eei s LYS 32 CO 0.10 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 2eei n GLY 33 N -1.71 -2.36 3.73 -3.33 0.00 -1.24 -4.92 105.19 95.35 2eei n GLY 33 Ca -0.02 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.76 2.74 -0.07 1.61 -7.23 -1.26 -4.50 120.40 108.93 2eei s VAL 34 Ca 0.00 -1.71 -0.26 0.00 -1.81 0.00 0.00 61.98 58.20 2eei s VAL 34 Cb 0.00 -2.96 0.06 0.00 0.56 0.00 0.00 36.38 34.04 2eei s VAL 34 CO 0.00 -0.12 0.58 -0.72 -0.31 0.00 0.00 175.10 174.53 2eei s TYR 35 N -2.49 -0.55 -0.00 2.82 -0.85 -1.26 -2.71 117.35 112.30 2eei s TYR 35 Ca 0.39 1.02 -0.31 0.00 -0.52 0.00 0.00 57.07 57.65 2eei s TYR 35 Cb -0.00 0.31 -0.10 0.00 0.38 0.00 0.00 41.96 42.54 2eei s TYR 35 CO 0.22 -0.51 1.96 -1.33 -1.52 0.00 0.00 175.55 174.37 2eei n MET 36 N 1.32 2.67 -0.12 -3.49 2.81 -1.14 -4.06 117.12 115.11 2eei n MET 36 Ca -0.19 0.98 -0.21 0.00 -1.81 0.00 0.00 57.70 56.47 2eei n MET 36 Cb 0.57 -2.91 -0.10 0.00 -0.71 0.00 0.00 33.22 30.07 2eei n MET 36 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2eei n THR 37 N 5.47 1.33 -3.97 2.03 5.66 -0.72 0.15 114.28 124.23 2eei n THR 37 Ca 0.21 -0.43 -0.34 0.00 -3.05 0.00 0.00 64.05 60.44 2eei n THR 37 Cb 0.38 -1.55 -0.14 0.00 -1.55 0.00 0.00 70.33 67.46 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 -6.68 4.22 -0.74 1.09 2.15 -1.25 -4.19 116.67 111.26 2eei s ASP 38 Ca -0.32 -0.83 -0.06 0.00 0.43 0.00 0.00 52.55 51.76 2eei s ASP 38 Cb 0.10 -1.65 0.19 0.00 -0.30 0.00 0.00 42.92 41.26 2eei s ASP 38 CO 0.48 -0.11 0.61 -0.63 -0.17 0.00 0.00 175.17 175.35 2eei s ILE 39 N 1.33 4.38 0.08 4.11 -1.09 -1.26 -0.34 121.20 128.41 2eei s ILE 39 Ca 0.01 -3.03 -0.23 0.00 -2.23 0.00 0.00 60.65 55.17 2eei s ILE 39 Cb -0.16 -3.77 -0.13 0.00 -1.58 0.00 0.00 42.46 36.82 2eei s ILE 39 CO -0.05 -0.96 0.51 0.41 -1.23 0.00 0.00 174.94 173.62 2eei n THR 40 N 3.36 0.82 -2.15 2.92 -1.04 0.23 -4.75 114.28 113.65 2eei n THR 40 Ca 0.12 -0.20 -0.35 0.00 -2.04 0.00 0.00 64.05 61.58 2eei n THR 40 Cb 0.40 0.00 0.01 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 -0.41 3.24 -1.30 -2.82 0.04 -1.26 -3.40 135.00 129.09 2eei s PRO 41 Ca 0.52 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 2eei s PRO 41 Cb -0.73 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 31.97 2eei s PRO 41 CO 0.39 -0.93 0.39 1.04 0.04 0.00 0.00 177.00 177.93 2eei n GLN 42 N -1.54 -0.81 -2.36 4.56 6.02 -1.26 -4.85 117.38 117.15 2eei n GLN 42 Ca 0.11 0.10 -0.09 0.00 -0.01 0.00 0.00 57.00 57.11 2eei n GLN 42 Cb 0.51 -3.23 -0.00 0.00 1.02 0.00 0.00 30.24 28.54 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2eei n GLY 43 N -0.95 3.07 0.37 1.08 0.00 -1.22 -4.92 105.19 102.61 2eei n GLY 43 Ca 0.07 -2.22 0.06 0.00 0.00 0.00 0.00 46.02 43.93 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 0.62 1.00 0.08 1.61 2.07 -1.88 -0.24 116.25 119.50 2eei h VAL 44 Ca -0.12 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2eei h VAL 44 Cb 0.43 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2eei h VAL 44 CO 0.19 0.17 -0.04 0.00 0.02 0.00 0.00 177.57 177.92 2eei h ALA 45 N 1.54 -0.55 -1.23 1.67 0.00 -1.85 -1.42 119.26 117.42 2eei h ALA 45 Ca 0.41 -0.02 0.36 0.00 0.00 0.00 0.00 54.91 55.66 2eei h ALA 45 Cb 0.34 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2eei h ALA 45 CO -0.17 -0.54 0.95 1.98 0.00 0.00 0.00 179.25 181.47 2eei h MET 46 N -0.18 0.00 0.06 0.00 -1.53 -1.68 0.84 114.93 112.43 2eei h MET 46 Ca -0.01 0.00 -0.26 0.00 -3.44 0.00 0.00 59.70 55.99 2eei h MET 46 Cb 0.08 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.15 2eei h MET 46 CO 0.02 0.00 -1.10 0.00 0.14 0.00 0.00 176.91 175.97 2eei h ARG 47 N 0.00 0.47 0.00 0.39 2.47 -1.04 -3.21 114.38 113.46 2eei h ARG 47 Ca 0.58 -0.58 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 2eei h ARG 47 Cb 2.48 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 30.98 2eei h ARG 47 CO -0.01 1.22 -0.22 0.00 0.56 0.00 0.00 179.97 181.53 2eei h ALA 48 N 0.55 1.27 0.00 0.04 0.00 0.18 -3.46 119.26 117.84 2eei h ALA 48 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2eei h ALA 48 Cb 1.76 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2eei h ALA 48 CO 0.20 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.13 2eei n GLY 49 N -0.46 1.70 3.54 0.00 0.00 -0.75 -4.49 105.19 104.74 2eei n GLY 49 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 4.36 0.35 1.61 0.11 -1.20 -4.86 120.40 118.77 2eei s VAL 50 Ca 0.00 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 2eei s VAL 50 Cb 0.00 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 2eei s VAL 50 CO 0.00 0.44 0.58 -0.76 -3.33 0.00 0.00 175.10 172.03 2eei s LEU 51 N 0.68 3.97 0.81 2.54 1.43 -1.26 -4.38 118.68 122.47 2eei s LEU 51 Ca 0.01 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 2eei s LEU 51 Cb -0.14 -3.43 0.08 0.00 0.03 0.00 0.00 46.19 42.73 2eei s LEU 51 CO 0.02 -0.31 1.09 0.00 0.23 0.00 0.00 176.35 177.38 2eei s ALA 52 N -2.32 2.14 -1.14 4.21 0.00 -1.26 -3.57 121.76 119.82 2eei s ALA 52 Ca 0.42 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2eei s ALA 52 Cb -0.10 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2eei s ALA 52 CO 0.36 -1.82 0.00 -0.25 0.00 0.00 0.00 175.76 174.05 2eei n ASP 53 N -3.50 -4.04 -4.53 0.00 9.92 0.39 -4.88 116.55 109.92 2eei n ASP 53 Ca 0.07 0.19 -0.43 0.00 -0.53 0.00 0.00 54.79 54.09 2eei n ASP 53 Cb 0.56 -3.44 -0.07 0.00 -0.64 0.00 0.00 41.12 37.52 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 -2.04 6.31 -0.23 -2.24 1.11 -1.12 -4.76 116.67 113.71 2eei s ASP 54 Ca 0.00 -0.29 -0.34 0.00 0.18 0.00 0.00 52.55 52.10 2eei s ASP 54 Cb 0.00 -2.29 -0.11 0.00 1.07 0.00 0.00 42.92 41.59 2eei s ASP 54 CO 0.00 -0.67 2.03 1.57 1.18 0.00 0.00 175.17 179.29 2eei n HIS 55 N 6.02 1.97 -2.19 4.23 -0.00 -1.26 -2.88 115.22 121.11 2eei n HIS 55 Ca -0.03 0.15 -0.42 0.00 -0.00 0.00 0.00 57.72 57.42 2eei n HIS 55 Cb 0.48 -2.60 -0.03 0.00 -0.00 0.00 0.00 29.99 27.84 2eei n HIS 55 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2eei s LEU 56 N 5.85 4.39 -0.24 0.27 2.96 -1.10 -3.69 118.68 127.12 2eei s LEU 56 Ca 1.01 2.38 -0.16 0.00 -0.22 0.00 0.00 54.13 57.15 2eei s LEU 56 Cb -0.75 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.23 2eei s LEU 56 CO 0.50 -0.59 -0.27 -0.38 -1.32 0.00 0.00 176.35 174.29 2eei n ILE 57 N 3.17 1.52 -3.73 6.68 2.08 0.40 -3.96 119.36 125.52 2eei n ILE 57 Ca 0.08 -0.19 -0.10 0.00 0.56 0.00 0.00 62.75 63.11 2eei n ILE 57 Cb 0.42 -2.04 -0.04 0.00 -0.75 0.00 0.00 39.64 37.24 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 -2.57 1.34 -0.20 0.38 -1.05 -1.23 -1.20 118.70 114.17 2eei s GLU 58 Ca -0.34 -0.86 -0.00 0.00 -0.15 0.00 0.00 54.97 53.62 2eei s GLU 58 Cb 0.11 0.51 0.05 0.00 -0.44 0.00 0.00 34.13 34.36 2eei s GLU 58 CO 0.47 -0.56 -0.04 0.08 0.95 0.00 0.00 175.26 176.16 2eei s VAL 59 N -3.87 1.21 -1.32 1.83 1.01 -0.60 -2.76 120.40 115.91 2eei s VAL 59 Ca 0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 2eei s VAL 59 Cb -0.00 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2eei s VAL 59 CO -0.04 -0.00 0.20 0.59 0.00 0.00 0.00 175.10 175.85 2eei n ASN 60 N 4.81 -4.97 -0.67 3.32 4.13 0.66 -3.13 115.26 119.42 2eei n ASN 60 Ca -0.12 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.04 2eei n ASN 60 Cb 0.46 -3.97 0.00 0.00 -1.54 0.00 0.00 39.78 34.73 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eei n GLY 61 N -1.16 0.70 2.77 7.41 0.00 -1.26 -4.95 105.19 108.71 2eei n GLY 61 Ca -0.15 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.93 0.21 -0.42 1.61 2.12 -1.18 -4.98 118.70 112.13 2eei s GLU 62 Ca 0.00 0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.29 2eei s GLU 62 Cb 0.00 -1.11 -0.09 0.00 0.26 0.00 0.00 34.13 33.19 2eei s GLU 62 CO 0.00 -0.65 2.33 -1.71 -0.54 0.00 0.00 175.26 174.69 2eei n ASN 63 N 5.33 2.35 -0.16 -1.70 4.05 -1.26 -1.55 115.26 122.31 2eei n ASN 63 Ca -0.05 -0.01 0.02 0.00 0.45 0.00 0.00 54.58 54.99 2eei n ASN 63 Cb 0.50 -1.43 0.02 0.00 1.23 0.00 0.00 39.78 40.10 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 7.69 0.30 0.28 3.44 0.24 -0.34 -4.62 118.33 125.32 2eei n VAL 64 Ca 0.39 -0.65 0.17 0.00 -2.04 0.00 0.00 64.34 62.21 2eei n VAL 64 Cb 0.39 0.90 0.91 0.00 -1.47 0.00 0.00 33.84 34.57 2eei n VAL 64 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2eei h GLU 65 N 0.67 0.00 -0.01 7.34 4.11 -1.31 0.11 114.58 125.48 2eei h GLU 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2eei h GLU 65 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2eei h GLU 65 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 178.68 2eei n ASP 66 N -2.76 1.39 -4.90 3.06 5.75 -1.26 -3.62 116.55 114.20 2eei n ASP 66 Ca -0.02 -1.31 -0.28 0.00 -0.01 0.00 0.00 54.79 53.17 2eei n ASP 66 Cb 0.17 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2eei s ALA 67 N -0.36 3.45 0.95 2.12 0.00 0.37 -4.70 121.76 123.59 2eei s ALA 67 Ca 0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 2eei s ALA 67 Cb 0.01 -2.53 0.17 0.00 0.00 0.00 0.00 23.12 20.77 2eei s ALA 67 CO 0.02 -0.18 1.19 -1.54 0.00 0.00 0.00 175.76 175.25 2eei s SER 68 N -3.79 3.19 0.20 0.00 1.04 -1.26 -4.18 113.70 108.90 2eei s SER 68 Ca 0.47 0.72 -0.02 0.00 0.48 0.00 0.00 55.95 57.60 2eei s SER 68 Cb -0.10 -1.10 0.15 0.00 0.10 0.00 0.00 66.02 65.07 2eei s SER 68 CO 0.39 -2.72 1.53 -0.74 0.98 0.00 0.00 173.24 172.68 2eei h HIS 69 N -1.62 0.64 0.00 5.02 2.76 -1.96 -2.71 115.15 117.29 2eei h HIS 69 Ca -0.47 -0.22 -0.08 0.00 -2.20 0.00 0.00 60.37 57.39 2eei h HIS 69 Cb 1.30 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 2eei h HIS 69 CO -0.41 0.93 -0.38 0.93 -1.30 0.00 0.00 177.93 177.70 2eei h GLU 70 N 0.40 0.00 0.00 5.26 4.39 -2.00 -1.02 114.58 121.62 2eei h GLU 70 Ca 0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 2eei h GLU 70 Cb 1.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 2eei h GLU 70 CO 0.10 0.38 -0.66 0.93 -1.16 0.00 0.00 179.01 178.60 2eei h GLU 71 N 0.00 0.00 0.00 2.33 4.39 -1.89 -3.27 114.58 116.14 2eei h GLU 71 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2eei h GLU 71 Cb 0.94 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 2eei h GLU 71 CO 0.05 0.66 -0.68 0.28 -1.16 0.00 0.00 179.01 178.17 2eei h VAL 72 N 0.00 0.75 -0.98 3.13 2.07 -1.31 -3.27 116.25 116.63 2eei h VAL 72 Ca -0.01 -1.77 0.23 0.00 0.82 0.00 0.00 66.70 65.97 2eei h VAL 72 Cb 1.39 1.62 -0.19 0.00 -1.52 0.00 0.00 31.29 32.59 2eei h VAL 72 CO 0.09 0.25 -0.13 0.55 0.02 0.00 0.00 177.57 178.35 2eei n VAL 73 N -4.56 -0.41 -0.11 2.57 3.14 -0.40 0.60 118.33 119.16 2eei n VAL 73 Ca -0.18 2.21 -0.10 0.00 -2.96 0.00 0.00 64.34 63.32 2eei n VAL 73 Cb 0.46 -3.14 -0.02 0.00 -1.06 0.00 0.00 33.84 30.08 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 0.52 -0.67 1.45 4.11 -1.73 -2.73 114.58 115.53 2eei h GLU 74 Ca 0.53 -0.11 0.10 0.00 0.07 0.00 0.00 59.36 59.95 2eei h GLU 74 Cb 0.95 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.05 2eei h GLU 74 CO -0.97 0.55 0.27 0.87 0.07 0.00 0.00 179.01 179.80 2eei h LYS 75 N 0.39 0.45 -0.19 1.06 1.57 0.12 -1.81 116.57 118.15 2eei h LYS 75 Ca 0.11 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2eei h LYS 75 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2eei h LYS 75 CO -0.00 0.30 0.09 0.28 -0.57 0.00 0.00 179.45 179.54 2eei h VAL 76 N 0.46 0.98 -0.95 0.50 2.07 -0.93 -1.73 116.25 116.66 2eei h VAL 76 Ca 0.34 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.91 2eei h VAL 76 Cb 0.43 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 2eei h VAL 76 CO -0.32 0.03 0.58 0.11 0.02 0.00 0.00 177.57 177.99 2eei h LYS 77 N 0.19 0.88 -0.10 1.57 1.57 -1.05 0.18 116.57 119.81 2eei h LYS 77 Ca 0.08 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2eei h LYS 77 Cb 0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2eei h LYS 77 CO -0.06 0.58 -0.33 0.87 -0.57 0.00 0.00 179.45 179.94 2eei h LYS 78 N 0.91 0.20 -0.71 3.15 1.79 -0.87 -3.23 116.57 117.82 2eei h LYS 78 Ca 0.47 -0.08 0.11 0.00 -2.18 0.00 0.00 60.65 58.97 2eei h LYS 78 Cb 0.48 -0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 31.01 2eei h LYS 78 CO -0.27 0.51 -0.28 -1.13 -1.08 0.00 0.00 179.45 177.20 2eei n SER 79 N -4.10 -0.47 0.00 0.86 3.41 0.05 -4.87 113.62 108.50 2eei n SER 79 Ca -0.01 1.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 2eei n SER 79 Cb 0.41 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2eei n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eei n GLY 80 N -1.33 2.09 1.07 5.00 0.00 -1.22 -4.72 105.19 106.08 2eei n GLY 80 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.05 0.21 -4.61 1.61 7.64 -1.26 -5.06 113.62 112.20 2eei n SER 81 Ca 0.00 0.03 -0.24 0.00 1.01 0.00 0.00 58.87 59.67 2eei n SER 81 Cb 0.00 -0.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.00 2.19 0.09 1.43 0.52 -1.26 -2.31 118.95 117.62 2eei s ARG 82 Ca 0.00 -1.40 -0.01 0.00 -0.52 0.00 0.00 55.73 53.80 2eei s ARG 82 Cb 0.00 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 2eei s ARG 82 CO 0.00 0.38 0.00 0.14 0.02 0.00 0.00 175.30 175.85 2eei s VAL 83 N -2.17 0.23 -0.33 3.52 -7.23 -0.21 -4.89 120.40 109.32 2eei s VAL 83 Ca 0.30 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 2eei s VAL 83 Cb -0.07 -1.77 0.10 0.00 0.56 0.00 0.00 36.38 35.20 2eei s VAL 83 CO 0.18 -0.75 0.04 -0.32 -0.31 0.00 0.00 175.10 173.94 2eei s MET 84 N -3.96 1.50 -0.11 4.82 1.75 -1.26 -0.78 119.30 121.25 2eei s MET 84 Ca 0.15 -1.75 -0.13 0.00 -1.25 0.00 0.00 55.69 52.71 2eei s MET 84 Cb 0.08 -3.07 -0.05 0.00 2.84 0.00 0.00 34.83 34.63 2eei s MET 84 CO -0.04 -0.90 0.31 -0.06 -0.65 0.00 0.00 175.02 173.68 2eei s PHE 85 N 0.99 3.56 -0.20 4.11 0.08 0.15 -0.25 117.98 126.42 2eei s PHE 85 Ca 0.09 0.71 0.01 0.00 0.12 0.00 0.00 56.93 57.85 2eei s PHE 85 Cb -0.19 -2.27 0.04 0.00 -0.57 0.00 0.00 43.02 40.03 2eei s PHE 85 CO -0.09 0.43 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.16 2eei s LEU 86 N -0.20 2.35 0.34 -0.37 2.96 -1.11 0.26 118.68 122.91 2eei s LEU 86 Ca 0.19 -0.86 0.03 0.00 -0.22 0.00 0.00 54.13 53.27 2eei s LEU 86 Cb -0.14 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 2eei s LEU 86 CO 0.07 -0.10 0.11 -0.76 -1.32 0.00 0.00 176.35 174.34 2eei s LEU 87 N 1.33 1.92 0.10 -0.68 1.02 -1.21 -0.45 118.68 120.71 2eei s LEU 87 Ca -0.00 -1.51 0.09 0.00 0.02 0.00 0.00 54.13 52.72 2eei s LEU 87 Cb -0.16 -0.11 -0.04 0.00 0.02 0.00 0.00 46.19 45.91 2eei s LEU 87 CO -0.09 -0.79 -0.20 -0.69 0.02 0.00 0.00 176.35 174.60 2eei s VAL 88 N -3.41 2.71 -0.07 -1.59 1.01 -1.24 -2.89 120.40 114.93 2eei s VAL 88 Ca 0.32 -1.46 -0.29 0.00 0.00 0.00 0.00 61.98 60.55 2eei s VAL 88 Cb 0.06 -2.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 2eei s VAL 88 CO 0.15 0.17 1.90 -1.81 0.00 0.00 0.00 175.10 175.51 2eei s ASP 89 N -1.93 6.28 0.31 3.32 1.11 -1.26 -4.41 116.67 120.10 2eei s ASP 89 Ca 0.16 2.27 0.05 0.00 0.18 0.00 0.00 52.55 55.22 2eei s ASP 89 Cb -0.10 -2.53 0.84 0.00 1.07 0.00 0.00 42.92 42.20 2eei s ASP 89 CO 0.08 -1.24 1.51 2.29 1.18 0.00 0.00 175.17 178.99 2eei n LYS 90 N 7.73 -0.07 -0.34 8.23 2.85 -1.26 0.46 118.16 135.75 2eei n LYS 90 Ca 0.21 1.42 0.16 0.00 -1.05 0.00 0.00 58.31 59.06 2eei n LYS 90 Cb 0.43 -2.31 0.32 0.00 -0.65 0.00 0.00 35.03 32.82 2eei n LYS 90 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2eei n GLU 91 N -5.39 -0.08 -0.02 -1.58 0.00 -1.26 -0.83 120.64 111.48 2eei n GLU 91 Ca 0.25 1.46 -0.11 0.00 0.00 0.00 0.00 57.16 58.76 2eei n GLU 91 Cb 0.84 -2.35 -0.10 0.00 0.00 0.00 0.00 31.44 29.83 2eei n GLU 91 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2eei h THR 92 N 0.00 1.26 -0.64 6.31 2.02 -0.36 -3.46 112.91 118.04 2eei h THR 92 Ca 0.62 -1.63 -0.66 0.00 0.77 0.00 0.00 66.41 65.51 2eei h THR 92 Cb 1.34 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 2eei h THR 92 CO -0.90 0.38 0.61 -0.67 0.37 0.00 0.00 175.52 175.30 2eei n ASP 93 N -4.76 0.87 -4.65 4.18 2.03 -0.01 -4.71 116.55 109.48 2eei n ASP 93 Ca -0.08 0.84 -0.44 0.00 0.52 0.00 0.00 54.79 55.63 2eei n ASP 93 Cb 0.32 -0.67 -0.04 0.00 -0.72 0.00 0.00 41.12 40.01 2eei n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2eei n LYS 94 N 3.51 2.53 -3.72 -0.67 4.76 -1.26 -4.96 118.16 118.35 2eei n LYS 94 Ca 0.27 0.90 -0.14 0.00 -2.87 0.00 0.00 58.31 56.47 2eei n LYS 94 Cb -0.04 -2.93 -0.14 0.00 -1.84 0.00 0.00 35.03 30.07 2eei n LYS 94 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2eei s ARG 95 N 4.66 0.10 0.09 1.97 1.81 -1.26 -5.13 118.95 121.18 2eei s ARG 95 Ca 0.92 0.45 -0.31 0.00 -1.72 0.00 0.00 55.73 55.07 2eei s ARG 95 Cb -0.50 -0.19 -0.08 0.00 -0.45 0.00 0.00 34.95 33.74 2eei s ARG 95 CO 0.44 -0.20 1.42 -1.58 -0.68 0.00 0.00 175.30 174.70 2eei s HIS 96 N 1.48 3.09 -0.92 -0.53 5.65 -1.26 -4.97 115.29 117.84 2eei s HIS 96 Ca -0.06 0.86 -0.12 0.00 0.25 0.00 0.00 55.06 56.00 2eei s HIS 96 Cb -0.12 -3.71 0.24 0.00 -1.18 0.00 0.00 32.58 27.81 2eei s HIS 96 CO -0.06 -2.56 0.87 0.08 -0.65 0.00 0.00 174.74 172.42 2eei s VAL 97 N 1.49 5.63 -0.64 0.89 1.01 -1.26 -4.95 120.40 122.56 2eei s VAL 97 Ca 0.65 -2.86 0.04 0.00 0.00 0.00 0.00 61.98 59.82 2eei s VAL 97 Cb -0.36 -4.45 0.16 0.00 0.00 0.00 0.00 36.38 31.73 2eei s VAL 97 CO 0.30 -1.08 0.42 -0.70 0.00 0.00 0.00 175.10 174.03 2eei s GLU 98 N -0.38 2.31 -0.82 2.72 -6.30 -1.26 -4.98 118.70 109.98 2eei s GLU 98 Ca 0.22 -3.07 -0.09 0.00 -2.50 0.00 0.00 54.97 49.53 2eei s GLU 98 Cb -0.10 -3.41 0.21 0.00 0.00 0.00 0.00 34.13 30.83 2eei s GLU 98 CO -0.09 -1.22 0.74 -1.14 0.02 0.00 0.00 175.26 173.57 2eei s GLN 99 N -1.01 3.40 -1.49 4.30 0.74 -1.26 -4.67 119.66 119.67 2eei s GLN 99 Ca 0.22 -2.67 -0.15 0.00 0.05 0.00 0.00 55.36 52.82 2eei s GLN 99 Cb -0.13 -4.23 0.12 0.00 1.10 0.00 0.00 33.01 29.87 2eei s GLN 99 CO -0.10 -1.25 0.67 1.17 -0.55 0.00 0.00 175.29 175.23 2eei n LYS 100 N 3.51 -3.40 -2.26 1.67 3.00 -1.26 -4.86 118.16 114.56 2eei n LYS 100 Ca 0.15 0.41 -0.42 0.00 -0.00 0.00 0.00 58.31 58.45 2eei n LYS 100 Cb 0.43 -5.15 -0.03 0.00 0.00 0.00 0.00 35.03 30.28 2eei n LYS 100 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2eei s SER 101 N -3.03 6.89 0.00 3.14 1.04 -1.26 -4.69 113.70 115.78 2eei s SER 101 Ca 0.60 2.07 0.00 0.00 0.48 0.00 0.00 55.95 59.10 2eei s SER 101 Cb -0.32 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.24 2eei s SER 101 CO 0.73 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2eei n GLY 102 N 3.58 -0.06 0.23 7.32 0.00 -1.26 -4.95 105.19 110.06 2eei n GLY 102 Ca 0.13 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 2eei n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eei h PRO 103 N 0.70 0.79 -6.63 1.61 0.13 -2.04 -3.44 132.00 123.13 2eei h PRO 103 Ca 0.00 -0.42 -0.52 0.00 -0.87 0.00 0.00 66.00 64.19 2eei h PRO 103 Cb 0.00 0.01 0.05 0.00 0.13 0.00 0.00 31.00 31.20 2eei h PRO 103 CO 0.00 1.05 1.01 0.45 -0.23 0.00 0.00 178.00 180.27 2eei s SER 104 N -6.65 6.42 -0.38 1.44 0.15 -1.26 -4.94 113.70 108.48 2eei s SER 104 Ca -0.12 2.81 -0.25 0.00 0.70 0.00 0.00 55.95 59.09 2eei s SER 104 Cb 0.10 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2eei s SER 104 CO 0.85 -0.95 0.89 -0.55 1.20 0.00 0.00 173.24 174.67 2eei s SER 105 N 1.40 6.61 0.00 5.45 0.15 -1.26 -4.90 113.70 121.15 2eei s SER 105 Ca 0.75 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.87 2eei s SER 105 Cb -0.48 -2.44 0.02 0.00 -1.71 0.00 0.00 66.02 61.41 2eei s SER 105 CO 0.32 -0.85 0.59 0.61 1.20 0.00 0.00 173.24 175.11