#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 -5.08 -4.93 1.61 7.64 -1.26 -4.99 113.62 106.61 2eei n SER 2 Ca 0.00 -0.64 -0.20 0.00 1.01 0.00 0.00 58.87 59.04 2eei n SER 2 Cb 0.00 -4.62 -0.01 0.00 -1.01 0.00 0.00 64.21 58.57 2eei n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eei s SER 3 N -3.50 5.18 -0.30 6.43 0.15 -1.26 -5.12 113.70 115.29 2eei s SER 3 Ca 0.51 -0.71 -0.00 0.00 0.70 0.00 0.00 55.95 56.45 2eei s SER 3 Cb -0.24 -0.45 0.14 0.00 -1.71 0.00 0.00 66.02 63.76 2eei s SER 3 CO 0.77 -0.77 0.29 -0.83 1.20 0.00 0.00 173.24 173.90 2eei s GLY 4 N -4.24 -0.08 0.22 9.45 0.00 -1.26 -5.14 107.32 106.26 2eei s GLY 4 Ca 0.50 -0.44 0.08 0.00 0.00 0.00 0.00 44.72 44.86 2eei s GLY 4 CO 0.30 2.61 -0.13 -0.56 0.00 0.00 0.00 173.10 175.32 2eei s SER 5 N 2.26 2.59 0.01 1.64 0.01 -1.26 -5.15 113.70 113.80 2eei s SER 5 Ca 0.10 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2eei s SER 5 Cb -0.14 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 2eei s SER 5 CO -0.31 -0.20 0.08 -0.55 0.41 0.00 0.00 173.24 172.68 2eei s SER 6 N -3.33 5.66 0.00 2.44 0.15 -1.26 -5.04 113.70 112.31 2eei s SER 6 Ca 0.24 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2eei s SER 6 Cb -0.00 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2eei s SER 6 CO 0.08 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2eei n GLY 7 N 1.08 5.24 0.44 9.45 0.00 -1.26 -5.03 105.19 115.10 2eei n GLY 7 Ca -0.12 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.64 -7.39 1.61 4.15 -2.01 -3.43 115.11 107.40 2eei h GLN 8 Ca 0.00 0.04 -0.42 0.00 0.77 0.00 0.00 58.65 59.04 2eei h GLN 8 Cb 0.00 0.14 0.19 0.00 0.21 0.00 0.00 27.48 28.02 2eei h GLN 8 CO 0.00 -0.42 0.14 -1.25 -1.93 0.00 0.00 178.83 175.37 2eei s PRO 9 N -5.86 -0.97 -0.16 -2.39 0.04 -1.26 -5.03 135.00 119.37 2eei s PRO 9 Ca -0.16 0.02 -0.04 0.00 0.04 0.00 0.00 61.00 60.86 2eei s PRO 9 Cb 0.07 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.97 2eei s PRO 9 CO 0.63 -3.56 -0.03 0.50 0.04 0.00 0.00 177.00 174.58 2eei s ARG 10 N -5.33 3.68 -0.38 4.56 3.52 -1.10 -5.00 118.95 118.89 2eei s ARG 10 Ca 0.70 -0.51 -0.26 0.00 -0.13 0.00 0.00 55.73 55.53 2eei s ARG 10 Cb -0.11 -2.96 0.02 0.00 -1.56 0.00 0.00 34.95 30.34 2eei s ARG 10 CO 0.56 0.20 0.92 -1.17 -0.81 0.00 0.00 175.30 175.01 2eei s LEU 11 N 0.47 4.00 -0.60 -0.88 1.98 -1.26 -3.33 118.68 119.06 2eei s LEU 11 Ca -0.03 0.53 -0.16 0.00 -2.89 0.00 0.00 54.13 51.59 2eei s LEU 11 Cb -0.14 -3.25 0.15 0.00 0.66 0.00 0.00 46.19 43.61 2eei s LEU 11 CO 0.03 -0.87 0.55 0.00 -1.89 0.00 0.00 176.35 174.17 2eei s TYR 13 N 1.30 2.59 0.37 0.00 5.04 -1.26 0.19 117.35 125.57 2eei s TYR 13 Ca 0.06 -0.40 -0.17 0.00 -2.44 0.00 0.00 57.07 54.12 2eei s TYR 13 Cb -0.26 -4.36 -0.10 0.00 0.35 0.00 0.00 41.96 37.60 2eei s TYR 13 CO 0.00 -1.73 0.82 -0.51 -1.34 0.00 0.00 175.55 172.80 2eei s LEU 14 N 4.45 3.99 -0.09 6.97 2.01 -0.73 -4.84 118.68 130.44 2eei s LEU 14 Ca 0.26 1.43 -0.03 0.00 0.01 0.00 0.00 54.13 55.79 2eei s LEU 14 Cb -0.15 -4.26 0.05 0.00 0.01 0.00 0.00 46.19 41.84 2eei s LEU 14 CO 0.12 -0.28 0.17 -0.69 1.01 0.00 0.00 176.35 176.67 2eei s VAL 15 N -2.10 -0.22 -0.18 -1.59 1.01 -1.26 -1.87 120.40 114.19 2eei s VAL 15 Ca 0.57 0.30 -0.35 0.00 0.00 0.00 0.00 61.98 62.50 2eei s VAL 15 Cb -0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 36.38 35.87 2eei s VAL 15 CO 0.17 0.12 1.96 0.29 0.00 0.00 0.00 175.10 177.64 2eei n LYS 16 N 5.02 1.80 0.04 2.72 5.02 -0.98 -4.80 118.16 126.98 2eei n LYS 16 Ca -0.11 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2eei n LYS 16 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 2eei n LYS 16 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2eei n GLU 17 N 7.01 0.00 -4.12 1.97 -0.58 -1.26 -5.01 120.64 118.65 2eei n GLU 17 Ca 0.28 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.79 2eei n GLU 17 Cb 0.27 -0.46 -0.17 0.00 -0.57 0.00 0.00 31.44 30.52 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 -4.34 0.60 0.00 0.62 0.00 -1.26 -5.07 107.32 97.87 2eei s GLY 18 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.48 2eei s GLY 18 CO 0.00 0.59 0.00 0.61 0.00 0.00 0.00 173.10 174.30 2eei n GLY 19 N 4.40 1.62 3.82 0.20 0.00 -1.26 -4.27 105.19 109.70 2eei n GLY 19 Ca -0.18 0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.40 6.99 0.00 1.61 0.15 -1.26 -5.01 113.70 112.78 2eei s SER 20 Ca 0.00 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.00 2eei s SER 20 Cb 0.00 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2eei s SER 20 CO 0.00 0.01 0.84 -1.22 1.20 0.00 0.00 173.24 174.08 2eei n TYR 21 N 0.60 0.00 0.00 3.44 4.01 -1.26 -4.91 117.16 119.04 2eei n TYR 21 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2eei n TYR 21 Cb 0.51 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.98 0.42 3.23 2.72 0.00 -1.26 -3.52 105.19 105.80 2eei n GLY 22 Ca 0.00 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2eei n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2eei n PHE 23 N 0.00 -2.64 -4.07 1.61 1.16 -1.26 -3.76 117.46 108.50 2eei n PHE 23 Ca 0.00 -0.37 -0.14 0.00 -1.87 0.00 0.00 57.45 55.07 2eei n PHE 23 Cb 0.00 -1.45 -0.14 0.00 -1.61 0.00 0.00 39.48 36.28 2eei n PHE 23 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2eei s SER 24 N -2.51 0.50 -0.12 5.98 0.01 -0.17 -4.90 113.70 112.49 2eei s SER 24 Ca 0.59 -0.17 -0.00 0.00 1.31 0.00 0.00 55.95 57.68 2eei s SER 24 Cb -0.14 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 2eei s SER 24 CO 0.55 -0.02 -0.11 -0.76 0.41 0.00 0.00 173.24 173.31 2eei s LEU 25 N -0.41 2.84 -0.04 2.44 1.43 -1.26 -2.41 118.68 121.26 2eei s LEU 25 Ca -0.01 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2eei s LEU 25 Cb -0.03 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2eei s LEU 25 CO -0.00 0.21 0.17 -1.59 0.23 0.00 0.00 176.35 175.37 2eei s LYS 26 N 0.10 0.34 -0.15 1.70 -2.85 -1.26 -5.03 119.74 112.59 2eei s LYS 26 Ca -0.05 -0.02 -0.08 0.00 -1.00 0.00 0.00 55.97 54.82 2eei s LYS 26 Cb -0.14 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.73 2eei s LYS 26 CO 0.04 -0.07 0.13 0.95 0.10 0.00 0.00 175.35 176.50 2eei s THR 27 N -0.54 5.42 0.05 3.79 -4.23 -1.26 -4.18 115.64 114.69 2eei s THR 27 Ca -0.06 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 2eei s THR 27 Cb -0.04 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 2eei s THR 27 CO 0.01 0.55 0.09 -0.69 -0.54 0.00 0.00 174.62 174.04 2eei s VAL 28 N -0.49 4.65 -0.07 2.29 1.01 -1.26 -5.00 120.40 121.53 2eei s VAL 28 Ca 0.12 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2eei s VAL 28 Cb -0.12 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 2eei s VAL 28 CO 0.02 0.19 2.28 0.00 0.00 0.00 0.00 175.10 177.58 2eei n GLN 29 N 0.65 1.34 0.00 2.72 0.00 -1.26 -3.42 117.38 117.41 2eei n GLN 29 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 57.00 56.40 2eei n GLN 29 Cb 0.52 -1.30 0.00 0.00 0.00 0.00 0.00 30.24 29.46 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 1.43 0.00 1.74 2.61 0.00 -1.26 -5.17 105.19 104.54 2eei n GLY 30 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 2eei n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eei n LYS 31 N 0.00 0.53 -4.76 1.61 4.76 -1.22 -5.16 118.16 113.92 2eei n LYS 31 Ca 0.00 -1.79 -0.33 0.00 -2.87 0.00 0.00 58.31 53.32 2eei n LYS 31 Cb 0.00 1.17 -0.14 0.00 -1.84 0.00 0.00 35.03 34.22 2eei n LYS 31 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2eei s LYS 32 N -2.78 3.38 5.20 1.97 -0.14 -1.26 -4.92 119.74 121.18 2eei s LYS 32 Ca 0.15 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 54.07 2eei s LYS 32 Cb 0.01 -2.63 0.00 0.00 -1.68 0.00 0.00 37.83 33.52 2eei s LYS 32 CO 0.11 0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.31 2eei n GLY 33 N 3.56 2.99 3.25 -3.33 0.00 -1.06 -4.77 105.19 105.82 2eei n GLY 33 Ca -0.18 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 0.77 -0.07 1.61 -7.23 -1.26 -4.67 120.40 109.56 2eei s VAL 34 Ca 0.00 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 57.95 2eei s VAL 34 Cb 0.00 -2.08 0.05 0.00 0.56 0.00 0.00 36.38 34.91 2eei s VAL 34 CO 0.00 -0.52 0.53 -0.72 -0.31 0.00 0.00 175.10 174.08 2eei s TYR 35 N -3.59 -0.48 0.18 2.82 -0.85 -1.26 -3.00 117.35 111.16 2eei s TYR 35 Ca 0.23 0.89 -0.32 0.00 -0.52 0.00 0.00 57.07 57.35 2eei s TYR 35 Cb 0.06 0.26 -0.12 0.00 0.38 0.00 0.00 41.96 42.54 2eei s TYR 35 CO 0.03 -0.48 1.75 -1.33 -1.52 0.00 0.00 175.55 174.01 2eei n MET 36 N 1.37 2.76 -0.02 -3.49 2.81 -1.12 -4.13 117.12 115.30 2eei n MET 36 Ca -0.19 1.00 -0.03 0.00 -1.81 0.00 0.00 57.70 56.67 2eei n MET 36 Cb 0.56 -2.86 -0.02 0.00 -0.71 0.00 0.00 33.22 30.20 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 4.16 0.19 -4.00 2.03 5.66 -1.01 0.23 114.28 121.54 2eei n THR 37 Ca 0.17 -0.07 -0.34 0.00 -3.05 0.00 0.00 64.05 60.76 2eei n THR 37 Cb 0.35 -0.76 -0.15 0.00 -1.55 0.00 0.00 70.33 68.22 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 -4.48 4.07 -0.72 1.09 2.15 -1.26 -4.20 116.67 113.32 2eei s ASP 38 Ca -0.05 -0.84 -0.07 0.00 0.43 0.00 0.00 52.55 52.03 2eei s ASP 38 Cb 0.01 -1.62 0.19 0.00 -0.30 0.00 0.00 42.92 41.20 2eei s ASP 38 CO 0.08 -0.10 0.59 -0.63 -0.17 0.00 0.00 175.17 174.93 2eei s ILE 39 N 1.31 4.43 -0.11 4.11 -1.09 -1.26 -1.00 121.20 127.58 2eei s ILE 39 Ca 0.01 -2.89 -0.37 0.00 -2.23 0.00 0.00 60.65 55.17 2eei s ILE 39 Cb -0.16 -3.81 -0.18 0.00 -1.58 0.00 0.00 42.46 36.73 2eei s ILE 39 CO -0.06 -0.95 1.07 0.41 -1.23 0.00 0.00 174.94 174.18 2eei n THR 40 N 3.53 0.00 -2.24 2.92 -1.04 -1.25 -4.75 114.28 111.45 2eei n THR 40 Ca 0.11 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.71 2eei n THR 40 Cb 0.41 -0.11 -0.03 0.00 -1.82 0.00 0.00 70.33 68.78 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 0.67 4.43 -1.46 -2.82 0.04 -1.26 -3.11 135.00 131.48 2eei s PRO 41 Ca 0.84 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.84 2eei s PRO 41 Cb -1.19 -3.15 0.05 0.00 0.04 0.00 0.00 34.50 30.25 2eei s PRO 41 CO 0.56 -0.12 0.87 1.04 0.04 0.00 0.00 177.00 179.39 2eei n GLN 42 N 1.65 -5.63 -0.41 4.56 1.13 -1.26 -4.97 117.38 112.44 2eei n GLN 42 Ca 0.02 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.79 2eei n GLN 42 Cb 0.43 -5.60 0.00 0.00 0.11 0.00 0.00 30.24 25.18 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2eei n GLY 43 N -1.65 5.73 0.20 1.08 0.00 -1.18 -4.99 105.19 104.38 2eei n GLY 43 Ca -0.01 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 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 0.18 1.29 0.54 1.61 2.07 -1.85 -2.76 116.25 117.32 2eei h VAL 44 Ca 0.00 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 2eei h VAL 44 Cb 0.00 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2eei h VAL 44 CO 0.00 0.38 -0.26 0.00 0.02 0.00 0.00 177.57 177.71 2eei h ALA 45 N 0.78 -0.76 -0.35 1.67 0.00 -1.86 -1.94 119.26 116.80 2eei h ALA 45 Ca 0.08 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2eei h ALA 45 Cb 0.62 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2eei h ALA 45 CO 0.04 -0.71 0.71 1.98 0.00 0.00 0.00 179.25 181.27 2eei h MET 46 N -1.13 0.00 0.10 0.00 -1.53 -1.68 0.85 114.93 111.53 2eei h MET 46 Ca -0.07 0.00 -0.31 0.00 -3.44 0.00 0.00 59.70 55.87 2eei h MET 46 Cb 0.56 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.59 2eei h MET 46 CO 0.12 0.00 -1.63 -0.09 0.14 0.00 0.00 176.91 175.45 2eei h ARG 47 N 0.00 0.21 0.00 0.39 1.12 -1.36 -3.30 114.38 111.45 2eei h ARG 47 Ca 0.17 -0.37 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 2eei h ARG 47 Cb 1.59 0.14 0.00 0.00 -0.01 0.00 0.00 29.97 31.69 2eei h ARG 47 CO -0.00 1.04 0.00 0.00 -3.11 0.00 0.00 179.97 177.90 2eei n ALA 48 N -2.71 1.48 -1.60 2.80 0.00 0.29 -4.85 120.51 115.93 2eei n ALA 48 Ca -0.19 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2eei n ALA 48 Cb 1.04 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2eei n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eei n GLY 49 N -0.39 0.87 3.64 0.00 0.00 -0.96 -4.61 105.19 103.74 2eei n GLY 49 Ca 0.02 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.29 4.82 0.60 1.61 0.11 -1.22 -4.95 120.40 119.08 2eei s VAL 50 Ca 0.00 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.01 2eei s VAL 50 Cb 0.00 -3.17 0.04 0.00 -1.53 0.00 0.00 36.38 31.72 2eei s VAL 50 CO 0.00 0.46 0.85 -0.76 -3.33 0.00 0.00 175.10 172.32 2eei s LEU 51 N 0.38 3.14 0.89 2.54 1.43 -1.26 -4.57 118.68 121.23 2eei s LEU 51 Ca 0.03 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 2eei s LEU 51 Cb -0.12 -2.98 0.18 0.00 0.03 0.00 0.00 46.19 43.30 2eei s LEU 51 CO 0.00 -1.27 1.23 0.00 0.23 0.00 0.00 176.35 176.54 2eei s ALA 52 N -2.92 2.69 0.00 4.21 0.00 -1.26 -4.04 121.76 120.43 2eei s ALA 52 Ca 0.58 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2eei s ALA 52 Cb -0.10 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2eei s ALA 52 CO 0.41 -2.17 0.00 -0.25 0.00 0.00 0.00 175.76 173.75 2eei n ASP 53 N -3.50 -0.80 -4.52 0.00 8.00 0.64 -4.77 116.55 111.60 2eei n ASP 53 Ca 0.16 0.40 -0.43 0.00 0.71 0.00 0.00 54.79 55.63 2eei n ASP 53 Cb 0.60 -0.90 -0.07 0.00 -0.02 0.00 0.00 41.12 40.73 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2eei s ASP 54 N -1.79 6.33 -0.29 -2.24 1.11 -0.95 -4.76 116.67 114.08 2eei s ASP 54 Ca 0.00 -0.28 -0.35 0.00 0.18 0.00 0.00 52.55 52.10 2eei s ASP 54 Cb 0.00 -2.32 -0.12 0.00 1.07 0.00 0.00 42.92 41.55 2eei s ASP 54 CO 0.00 -0.76 2.07 1.57 1.18 0.00 0.00 175.17 179.24 2eei n HIS 55 N 6.24 1.81 -2.06 4.23 -0.00 -1.26 -2.81 115.22 121.37 2eei n HIS 55 Ca -0.02 0.25 -0.42 0.00 0.46 0.00 0.00 57.72 57.99 2eei n HIS 55 Cb 0.48 -2.55 -0.03 0.00 -0.12 0.00 0.00 29.99 27.77 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 6.25 4.37 -0.22 0.27 2.96 -1.16 -3.79 118.68 127.35 2eei s LEU 56 Ca 1.05 2.46 -0.17 0.00 -0.22 0.00 0.00 54.13 57.25 2eei s LEU 56 Cb -0.84 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.13 2eei s LEU 56 CO 0.51 -0.73 -0.09 -0.38 -1.32 0.00 0.00 176.35 174.35 2eei n ILE 57 N 3.90 1.52 -3.96 6.68 2.08 0.18 -4.02 119.36 125.73 2eei n ILE 57 Ca 0.12 -0.11 -0.12 0.00 0.56 0.00 0.00 62.75 63.21 2eei n ILE 57 Cb 0.41 -2.05 -0.02 0.00 -0.75 0.00 0.00 39.64 37.23 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 -2.45 2.01 -0.06 0.38 -1.05 -1.21 -1.46 118.70 114.86 2eei s GLU 58 Ca -0.31 -1.56 -0.02 0.00 -0.15 0.00 0.00 54.97 52.93 2eei s GLU 58 Cb 0.08 0.53 0.04 0.00 -0.44 0.00 0.00 34.13 34.34 2eei s GLU 58 CO 0.50 -0.88 0.12 0.08 0.95 0.00 0.00 175.26 176.03 2eei s VAL 59 N -2.88 -0.05 -0.49 1.83 1.01 0.12 -2.95 120.40 117.00 2eei s VAL 59 Ca 0.23 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 2eei s VAL 59 Cb -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.17 2eei s VAL 59 CO 0.15 0.07 0.07 -0.46 0.00 0.00 0.00 175.10 174.94 2eei n ASN 60 N 4.13 -2.01 -0.37 3.32 0.23 0.25 0.05 115.26 120.86 2eei n ASN 60 Ca -0.26 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 2eei n ASN 60 Cb 0.52 -1.80 0.00 0.00 -2.08 0.00 0.00 39.78 36.42 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2eei n GLY 61 N -0.66 0.92 2.80 4.83 0.00 -1.26 -4.77 105.19 107.04 2eei n GLY 61 Ca -0.03 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.20 0.18 -0.12 1.61 0.41 0.11 -5.11 118.70 112.58 2eei s GLU 62 Ca 0.00 0.32 -0.29 0.00 -0.41 0.00 0.00 54.97 54.59 2eei s GLU 62 Cb 0.00 -0.95 -0.06 0.00 -1.78 0.00 0.00 34.13 31.34 2eei s GLU 62 CO 0.00 -0.58 2.09 -0.80 -0.49 0.00 0.00 175.26 175.48 2eei s ASN 63 N 2.34 5.90 -0.00 -0.19 -0.87 -1.26 0.16 114.94 121.02 2eei s ASN 63 Ca 0.06 2.19 0.02 0.00 -1.57 0.00 0.00 52.86 53.56 2eei s ASN 63 Cb -0.15 -2.52 0.05 0.00 -0.02 0.00 0.00 41.25 38.61 2eei s ASN 63 CO -0.11 -1.56 1.04 1.33 -2.57 0.00 0.00 177.10 175.23 2eei n VAL 64 N 6.79 1.02 -0.35 1.60 0.24 -0.53 -4.80 118.33 122.29 2eei n VAL 64 Ca 0.25 -1.02 -0.04 0.00 -2.04 0.00 0.00 64.34 61.49 2eei n VAL 64 Cb 0.43 0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 33.28 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 -0.36 -0.28 -1.78 7.34 1.02 -0.89 -0.08 120.64 125.61 2eei n GLU 65 Ca 0.02 1.35 -0.30 0.00 -0.02 0.00 0.00 57.16 58.21 2eei n GLU 65 Cb 0.29 -2.00 0.04 0.00 -0.02 0.00 0.00 31.44 29.75 2eei n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2eei n ASP 66 N -5.23 6.24 -4.66 1.62 5.75 -1.26 -2.56 116.55 116.45 2eei n ASP 66 Ca 0.06 -3.77 -0.34 0.00 -0.01 0.00 0.00 54.79 50.73 2eei n ASP 66 Cb 0.31 -0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 39.63 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 -3.73 3.23 0.61 2.12 0.00 0.88 -4.73 121.76 120.14 2eei s ALA 67 Ca 0.56 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 2eei s ALA 67 Cb 0.45 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2eei s ALA 67 CO -0.04 0.60 1.16 0.45 0.00 0.00 0.00 175.76 177.93 2eei s SER 68 N -1.03 5.22 0.38 0.00 0.15 -1.26 -4.07 113.70 113.09 2eei s SER 68 Ca 0.15 2.24 0.16 0.00 0.70 0.00 0.00 55.95 59.19 2eei s SER 68 Cb -0.11 -2.58 1.04 0.00 -1.71 0.00 0.00 66.02 62.65 2eei s SER 68 CO 0.04 -1.57 1.78 -0.74 1.20 0.00 0.00 173.24 173.96 2eei h HIS 69 N 0.66 0.72 0.00 3.44 2.76 -1.97 0.61 115.15 121.36 2eei h HIS 69 Ca -0.49 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 57.66 2eei h HIS 69 Cb 1.28 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.02 2eei h HIS 69 CO 0.50 0.10 -0.20 0.93 -1.30 0.00 0.00 177.93 177.95 2eei h GLU 70 N 0.46 0.00 -0.03 5.26 5.08 -1.99 0.50 114.58 123.86 2eei h GLU 70 Ca 0.57 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.68 2eei h GLU 70 Cb 1.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.62 2eei h GLU 70 CO -0.30 0.20 -0.99 0.93 -1.00 0.00 0.00 179.01 177.86 2eei h GLU 71 N 0.00 0.69 0.17 2.33 4.39 -0.13 -3.12 114.58 118.92 2eei h GLU 71 Ca -0.00 -0.71 -0.01 0.00 0.34 0.00 0.00 59.36 58.98 2eei h GLU 71 Cb 0.37 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2eei h GLU 71 CO 0.03 1.29 -0.08 0.28 -1.16 0.00 0.00 179.01 179.37 2eei h VAL 72 N 0.41 0.77 -1.20 3.13 2.07 -1.05 -2.38 116.25 118.00 2eei h VAL 72 Ca -0.11 -1.11 0.34 0.00 0.82 0.00 0.00 66.70 66.65 2eei h VAL 72 Cb 1.63 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 2eei h VAL 72 CO 0.19 0.20 0.83 1.62 0.02 0.00 0.00 177.57 180.44 2eei h VAL 73 N -0.89 0.39 0.06 2.57 3.04 -1.04 0.76 116.25 121.13 2eei h VAL 73 Ca -0.02 -0.05 -0.25 0.00 -1.01 0.00 0.00 66.70 65.37 2eei h VAL 73 Cb 0.51 0.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.01 2eei h VAL 73 CO 0.04 0.03 -1.18 -0.33 -1.01 0.00 0.00 177.57 175.12 2eei h GLU 74 N 0.14 0.13 -0.04 4.17 5.08 -1.55 -3.01 114.58 119.50 2eei h GLU 74 Ca 0.63 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.64 2eei h GLU 74 Cb 2.15 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.47 2eei h GLU 74 CO -0.15 1.07 -0.59 0.87 -1.00 0.00 0.00 179.01 179.21 2eei h LYS 75 N 0.03 0.12 -0.06 2.33 1.57 0.96 -1.61 116.57 119.90 2eei h LYS 75 Ca -0.09 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 2eei h LYS 75 Cb 1.88 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.21 2eei h LYS 75 CO 0.16 0.68 -0.34 0.28 -0.57 0.00 0.00 179.45 179.66 2eei h VAL 76 N 0.09 1.43 0.20 0.50 2.07 -0.91 -2.09 116.25 117.54 2eei h VAL 76 Ca -0.01 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 2eei h VAL 76 Cb 1.07 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2eei h VAL 76 CO 0.08 0.51 -0.10 0.11 0.02 0.00 0.00 177.57 178.19 2eei h LYS 77 N -0.15 -0.26 -0.70 1.57 1.57 -1.54 -3.17 116.57 113.89 2eei h LYS 77 Ca -0.02 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2eei h LYS 77 Cb 1.00 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 2eei h LYS 77 CO 0.07 0.04 0.39 0.87 -0.57 0.00 0.00 179.45 180.25 2eei h LYS 78 N -0.57 0.69 -0.71 3.15 1.57 -1.41 -2.42 116.57 116.86 2eei h LYS 78 Ca -0.03 -0.04 0.24 0.00 -1.87 0.00 0.00 60.65 58.95 2eei h LYS 78 Cb 0.42 -0.16 -0.13 0.00 0.08 0.00 0.00 32.23 32.45 2eei h LYS 78 CO 0.05 0.46 0.16 0.45 -0.57 0.00 0.00 179.45 179.99 2eei n SER 79 N -4.78 0.05 0.00 0.86 2.88 -0.79 -4.86 113.62 106.98 2eei n SER 79 Ca 0.10 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 2eei n SER 79 Cb 0.20 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 -1.29 1.22 0.18 0.46 0.00 -0.91 -4.75 105.19 100.10 2eei n GLY 80 Ca 0.21 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 2.60 -4.66 1.61 7.64 -1.26 -4.92 113.62 114.63 2eei n SER 81 Ca 0.00 -0.01 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 2eei n SER 81 Cb 0.00 -0.23 -0.09 0.00 -1.01 0.00 0.00 64.21 62.89 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 -2.23 2.56 0.24 1.43 0.52 -1.26 -2.33 118.95 117.87 2eei s ARG 82 Ca -0.16 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 2eei s ARG 82 Cb 0.05 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 2eei s ARG 82 CO 0.26 0.56 0.09 0.14 0.02 0.00 0.00 175.30 176.37 2eei s VAL 83 N -1.21 0.49 -0.25 3.52 -7.23 -0.78 -4.90 120.40 110.03 2eei s VAL 83 Ca 0.23 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2eei s VAL 83 Cb -0.11 -2.54 0.07 0.00 0.56 0.00 0.00 36.38 34.35 2eei s VAL 83 CO 0.15 -0.07 -0.00 -0.32 -0.31 0.00 0.00 175.10 174.54 2eei s MET 84 N -4.04 1.29 -0.23 4.82 1.75 -1.26 -1.77 119.30 119.86 2eei s MET 84 Ca 0.36 -0.98 -0.09 0.00 -1.25 0.00 0.00 55.69 53.73 2eei s MET 84 Cb 0.07 -2.46 -0.04 0.00 2.84 0.00 0.00 34.83 35.24 2eei s MET 84 CO 0.12 -0.70 0.11 -0.06 -0.65 0.00 0.00 175.02 173.84 2eei s PHE 85 N 1.47 3.23 -0.24 4.11 0.08 0.13 0.85 117.98 127.61 2eei s PHE 85 Ca -0.01 0.03 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 2eei s PHE 85 Cb -0.18 -2.21 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2eei s PHE 85 CO -0.10 -0.02 -0.09 -1.17 -0.10 0.00 0.00 175.22 173.75 2eei s LEU 86 N 1.03 3.08 0.33 -0.37 2.96 -1.15 0.79 118.68 125.34 2eei s LEU 86 Ca 0.06 -0.91 0.03 0.00 -0.22 0.00 0.00 54.13 53.09 2eei s LEU 86 Cb -0.14 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2eei s LEU 86 CO 0.04 -0.12 0.13 -0.76 -1.32 0.00 0.00 176.35 174.32 2eei s LEU 87 N 1.29 1.82 0.07 -0.68 1.02 -1.21 0.51 118.68 121.49 2eei s LEU 87 Ca -0.00 -1.54 0.09 0.00 0.02 0.00 0.00 54.13 52.70 2eei s LEU 87 Cb -0.17 0.03 -0.03 0.00 0.02 0.00 0.00 46.19 46.04 2eei s LEU 87 CO -0.06 -0.84 -0.26 -0.69 0.02 0.00 0.00 176.35 174.52 2eei s VAL 88 N -3.48 2.23 0.12 -1.59 1.01 -1.25 -2.72 120.40 114.72 2eei s VAL 88 Ca 0.33 -1.46 -0.31 0.00 0.00 0.00 0.00 61.98 60.54 2eei s VAL 88 Cb 0.05 -1.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 2eei s VAL 88 CO 0.16 0.30 1.67 1.51 0.00 0.00 0.00 175.10 178.74 2eei s ASP 89 N -1.46 6.54 0.34 3.32 1.47 -1.26 -4.37 116.67 121.25 2eei s ASP 89 Ca 0.13 2.62 0.13 0.00 1.18 0.00 0.00 52.55 56.60 2eei s ASP 89 Cb -0.10 -2.58 1.02 0.00 -0.34 0.00 0.00 42.92 40.92 2eei s ASP 89 CO 0.03 -0.90 1.69 0.07 0.68 0.00 0.00 175.17 176.75 2eei h LYS 90 N 7.76 0.42 -0.84 2.11 2.10 -1.86 0.13 116.57 126.39 2eei h LYS 90 Ca -0.43 -0.02 0.21 0.00 -2.00 0.00 0.00 60.65 58.40 2eei h LYS 90 Cb 1.21 -0.09 -0.14 0.00 -0.90 0.00 0.00 32.23 32.30 2eei h LYS 90 CO 0.93 0.27 0.10 0.93 -2.00 0.00 0.00 179.45 179.68 2eei h GLU 91 N 0.43 0.13 0.00 0.07 3.07 -1.98 -2.10 114.58 114.19 2eei h GLU 91 Ca 0.69 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.55 2eei h GLU 91 Cb 1.51 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 2eei h GLU 91 CO -0.53 0.08 -0.00 1.15 -1.40 0.00 0.00 179.01 178.31 2eei h THR 92 N 0.13 1.61 -1.88 1.13 2.02 -1.14 -3.46 112.91 111.33 2eei h THR 92 Ca 0.50 -2.15 -0.65 0.00 0.77 0.00 0.00 66.41 64.87 2eei h THR 92 Cb 0.95 3.02 0.06 0.00 -1.74 0.00 0.00 68.15 70.44 2eei h THR 92 CO -0.70 0.54 0.43 -0.67 0.37 0.00 0.00 175.52 175.49 2eei n ASP 93 N -4.64 1.74 -1.66 4.18 -0.08 -0.79 -4.81 116.55 110.49 2eei n ASP 93 Ca -0.09 1.12 -0.05 0.00 -1.51 0.00 0.00 54.79 54.26 2eei n ASP 93 Cb 0.42 -1.23 -0.01 0.00 2.34 0.00 0.00 41.12 42.64 2eei n ASP 93 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2eei n LYS 94 N 2.32 1.30 -0.74 -0.67 5.02 -1.26 -4.86 118.16 119.26 2eei n LYS 94 Ca 0.17 -0.47 -0.33 0.00 -2.02 0.00 0.00 58.31 55.66 2eei n LYS 94 Cb 0.22 -1.26 0.15 0.00 -0.02 0.00 0.00 35.03 34.12 2eei n LYS 94 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2eei n ARG 95 N 1.37 -0.99 -1.93 1.97 0.63 -1.26 -4.83 116.66 111.61 2eei n ARG 95 Ca 0.12 -0.26 -0.42 0.00 -0.92 0.00 0.00 57.85 56.36 2eei n ARG 95 Cb 0.56 -1.73 -0.03 0.00 0.45 0.00 0.00 32.46 31.71 2eei n ARG 95 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2eei s HIS 96 N -2.29 2.32 -0.21 -0.14 3.76 -1.26 -4.99 115.29 112.48 2eei s HIS 96 Ca 0.55 0.28 -0.00 0.00 -0.15 0.00 0.00 55.06 55.74 2eei s HIS 96 Cb -0.15 -3.96 0.02 0.00 1.11 0.00 0.00 32.58 29.60 2eei s HIS 96 CO 0.67 -3.91 -0.13 0.08 -0.85 0.00 0.00 174.74 170.60 2eei s VAL 97 N 2.91 2.47 -0.21 -0.90 1.01 -1.26 -5.09 120.40 119.33 2eei s VAL 97 Ca 0.74 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 2eei s VAL 97 Cb -0.39 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 33.88 2eei s VAL 97 CO 0.32 0.37 -0.05 -1.61 0.00 0.00 0.00 175.10 174.13 2eei s GLU 98 N 1.30 1.51 0.34 2.72 2.02 -1.26 -5.12 118.70 120.21 2eei s GLU 98 Ca 0.02 -0.77 -0.28 0.00 0.02 0.00 0.00 54.97 53.96 2eei s GLU 98 Cb -0.15 -2.35 -0.09 0.00 0.10 0.00 0.00 34.13 31.64 2eei s GLU 98 CO -0.08 -0.53 1.19 1.14 0.02 0.00 0.00 175.26 177.00 2eei s GLN 99 N 1.52 4.36 -0.42 1.61 -2.07 -1.26 -4.97 119.66 118.42 2eei s GLN 99 Ca -0.03 1.96 -0.28 0.00 -1.82 0.00 0.00 55.36 55.20 2eei s GLN 99 Cb -0.17 -2.99 0.02 0.00 -1.09 0.00 0.00 33.01 28.78 2eei s GLN 99 CO -0.07 -0.10 1.04 0.21 -1.32 0.00 0.00 175.29 175.05 2eei s LYS 100 N -1.84 3.79 0.28 9.60 2.47 -1.26 -4.91 119.74 127.87 2eei s LYS 100 Ca 0.50 0.60 0.02 0.00 -1.56 0.00 0.00 55.97 55.53 2eei s LYS 100 Cb -0.34 -3.85 0.69 0.00 -1.46 0.00 0.00 37.83 32.87 2eei s LYS 100 CO 0.44 -1.16 1.67 1.03 0.16 0.00 0.00 175.35 177.50 2eei h SER 101 N 8.80 0.14 -2.80 1.43 0.87 -2.07 -3.46 113.55 116.45 2eei h SER 101 Ca -0.23 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2eei h SER 101 Cb 1.07 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2eei h SER 101 CO 1.06 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.89 2eei n GLY 102 N -1.36 -0.15 3.74 5.77 0.00 -1.26 -5.02 105.19 106.92 2eei n GLY 102 Ca 0.21 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.93 4.40 -0.10 1.61 0.04 -1.26 -5.03 135.00 131.73 2eei s PRO 103 Ca 0.00 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 2eei s PRO 103 Cb 0.00 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2eei s PRO 103 CO 0.00 -0.22 0.06 0.45 0.04 0.00 0.00 177.00 177.33 2eei s SER 104 N 0.24 5.74 0.04 6.66 0.15 -1.26 -4.99 113.70 120.28 2eei s SER 104 Ca 0.56 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2eei s SER 104 Cb -0.36 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2eei s SER 104 CO 0.39 0.39 0.00 -0.24 1.20 0.00 0.00 173.24 174.98 2eei n SER 105 N 2.04 0.17 0.00 5.45 2.88 -1.26 -5.34 113.62 117.56 2eei n SER 105 Ca -0.19 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2eei n SER 105 Cb 0.54 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2eei n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42