#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 3.72 -4.29 1.61 2.88 -1.26 -4.97 113.62 111.30 2eei n SER 2 Ca 0.00 0.95 -0.28 0.00 -1.33 0.00 0.00 58.87 58.21 2eei n SER 2 Cb 0.00 -1.43 -0.15 0.00 -0.75 0.00 0.00 64.21 61.88 2eei n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eei s SER 3 N 4.14 2.84 0.00 -3.46 1.04 -1.26 -5.06 113.70 111.93 2eei s SER 3 Ca 0.91 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2eei s SER 3 Cb -0.60 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.26 2eei s SER 3 CO 0.48 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.54 2eei n GLY 4 N 1.96 -1.94 0.21 7.32 0.00 -1.26 -5.08 105.19 106.41 2eei n GLY 4 Ca -0.17 0.92 -0.07 0.00 0.00 0.00 0.00 46.02 46.70 2eei n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2eei h SER 5 N 0.00 -0.40 -2.34 1.61 0.87 -2.04 -3.45 113.55 107.79 2eei h SER 5 Ca 0.00 0.01 -0.61 0.00 -1.23 0.00 0.00 61.79 59.96 2eei h SER 5 Cb 0.00 0.10 0.11 0.00 -0.44 0.00 0.00 62.40 62.18 2eei h SER 5 CO 0.00 -0.01 0.03 -1.54 -0.53 0.00 0.00 176.83 174.78 2eei n SER 6 N -4.81 0.90 0.00 6.23 3.41 -1.26 -4.93 113.62 113.16 2eei n SER 6 Ca -0.06 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 2eei n SER 6 Cb 0.19 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 2eei n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eei n GLY 7 N 1.33 0.72 0.49 5.00 0.00 -1.26 -4.98 105.19 106.49 2eei n GLY 7 Ca 0.11 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.78 -7.40 1.61 5.75 -2.02 -3.43 115.11 108.84 2eei h GLN 8 Ca 0.00 0.05 -0.41 0.00 -0.15 0.00 0.00 58.65 58.15 2eei h GLN 8 Cb 0.00 0.18 0.20 0.00 1.07 0.00 0.00 27.48 28.93 2eei h GLN 8 CO 0.00 -0.52 0.12 -1.25 -2.65 0.00 0.00 178.83 174.53 2eei s PRO 9 N -5.79 -1.55 0.18 -2.39 0.04 -1.26 -5.01 135.00 119.21 2eei s PRO 9 Ca -0.17 -0.19 0.07 0.00 0.04 0.00 0.00 61.00 60.76 2eei s PRO 9 Cb 0.06 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.99 2eei s PRO 9 CO 0.61 -3.91 -0.01 1.03 0.04 0.00 0.00 177.00 174.76 2eei s ARG 10 N -5.50 2.38 -0.22 4.56 1.81 -1.09 -4.99 118.95 115.90 2eei s ARG 10 Ca 0.72 -1.13 -0.06 0.00 -1.72 0.00 0.00 55.73 53.54 2eei s ARG 10 Cb -0.08 -2.34 -0.03 0.00 -0.45 0.00 0.00 34.95 32.06 2eei s ARG 10 CO 0.56 0.45 0.03 -1.17 -0.68 0.00 0.00 175.30 174.49 2eei s LEU 11 N -2.96 3.36 -0.48 2.53 1.98 -1.26 -3.32 118.68 118.53 2eei s LEU 11 Ca 0.27 -0.19 -0.05 0.00 -2.89 0.00 0.00 54.13 51.27 2eei s LEU 11 Cb -0.09 -1.88 0.13 0.00 0.66 0.00 0.00 46.19 45.01 2eei s LEU 11 CO 0.18 0.02 0.32 0.00 -1.89 0.00 0.00 176.35 174.98 2eei s TYR 13 N 0.97 2.89 -0.06 0.00 5.04 -1.26 -1.14 117.35 123.79 2eei s TYR 13 Ca 0.09 0.26 -0.09 0.00 -2.44 0.00 0.00 57.07 54.89 2eei s TYR 13 Cb -0.23 -3.98 -0.05 0.00 0.35 0.00 0.00 41.96 38.05 2eei s TYR 13 CO -0.03 -1.16 0.24 -0.51 -1.34 0.00 0.00 175.55 172.75 2eei s LEU 14 N 3.78 4.41 -0.04 6.97 2.01 -0.84 -4.70 118.68 130.28 2eei s LEU 14 Ca 0.35 0.63 0.00 0.00 0.01 0.00 0.00 54.13 55.12 2eei s LEU 14 Cb -0.11 -2.33 0.03 0.00 0.01 0.00 0.00 46.19 43.79 2eei s LEU 14 CO 0.24 0.36 -0.01 -0.69 1.01 0.00 0.00 176.35 177.26 2eei s VAL 15 N -1.10 0.28 -0.79 -1.59 1.01 -1.26 -0.98 120.40 115.98 2eei s VAL 15 Ca 0.20 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 2eei s VAL 15 Cb -0.14 -0.39 -0.18 0.00 0.00 0.00 0.00 36.38 35.68 2eei s VAL 15 CO 0.09 0.19 2.43 0.29 0.00 0.00 0.00 175.10 178.10 2eei n LYS 16 N 4.41 0.47 -0.09 2.72 5.02 -0.79 -4.67 118.16 125.22 2eei n LYS 16 Ca -0.20 -0.23 -0.18 0.00 -2.02 0.00 0.00 58.31 55.68 2eei n LYS 16 Cb 0.50 -2.59 -0.06 0.00 -0.02 0.00 0.00 35.03 32.87 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 8.14 0.43 -4.40 1.97 4.07 -1.26 -5.05 120.64 124.54 2eei n GLU 17 Ca 0.52 0.18 -0.29 0.00 -0.06 0.00 0.00 57.16 57.51 2eei n GLU 17 Cb 0.32 -1.23 -0.06 0.00 -0.06 0.00 0.00 31.44 30.41 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2eei s GLY 18 N -5.17 2.69 0.26 8.31 0.00 -1.26 -4.99 107.32 107.16 2eei s GLY 18 Ca -0.27 -1.05 0.13 0.00 0.00 0.00 0.00 44.72 43.54 2eei s GLY 18 CO 0.35 -2.07 1.15 0.61 0.00 0.00 0.00 173.10 173.14 2eei n GLY 19 N -1.38 -0.62 2.92 0.20 0.00 -1.26 -4.17 105.19 100.88 2eei n GLY 19 Ca -0.10 0.61 -0.16 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.70 0.54 0.00 1.61 0.15 -1.26 -5.07 113.70 104.96 2eei s SER 20 Ca -0.07 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2eei s SER 20 Cb 0.24 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2eei s SER 20 CO 0.57 0.02 0.92 -1.22 1.20 0.00 0.00 173.24 174.73 2eei n TYR 21 N 3.27 0.00 0.00 3.44 4.01 -1.26 -4.78 117.16 121.84 2eei n TYR 21 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2eei n TYR 21 Cb 0.56 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.00 0.00 3.65 2.72 0.00 -1.26 -2.16 105.19 107.14 2eei n GLY 22 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.35 0.01 1.61 -0.12 -1.26 -2.54 117.98 115.33 2eei s PHE 23 Ca 0.00 0.01 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 2eei s PHE 23 Cb 0.00 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 2eei s PHE 23 CO 0.00 -1.04 -0.04 -1.12 -0.05 0.00 0.00 175.22 172.97 2eei s SER 24 N -2.83 0.50 0.05 1.98 0.01 -0.84 -4.99 113.70 107.59 2eei s SER 24 Ca 0.06 -0.22 0.08 0.00 1.31 0.00 0.00 55.95 57.18 2eei s SER 24 Cb -0.03 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 2eei s SER 24 CO -0.03 -0.05 -0.19 -0.76 0.41 0.00 0.00 173.24 172.62 2eei s LEU 25 N -0.57 2.57 0.01 2.44 1.43 -1.26 -1.81 118.68 121.49 2eei s LEU 25 Ca -0.03 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 2eei s LEU 25 Cb -0.04 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.70 2eei s LEU 25 CO -0.00 0.25 0.23 -1.59 0.23 0.00 0.00 176.35 175.46 2eei s LYS 26 N -1.51 0.64 0.10 1.70 -2.85 -1.21 -4.99 119.74 111.62 2eei s LYS 26 Ca 0.15 -0.40 -0.02 0.00 -1.00 0.00 0.00 55.97 54.70 2eei s LYS 26 Cb -0.10 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.89 2eei s LYS 26 CO 0.05 -0.18 0.29 0.95 0.10 0.00 0.00 175.35 176.57 2eei s THR 27 N -1.79 5.28 -0.03 3.79 -4.23 -1.26 -4.05 115.64 113.35 2eei s THR 27 Ca -0.11 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 2eei s THR 27 Cb -0.04 -3.64 -0.00 0.00 1.34 0.00 0.00 72.50 70.16 2eei s THR 27 CO 0.01 0.07 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.34 2eei s VAL 28 N -1.60 1.13 0.52 2.29 1.01 -1.26 -5.13 120.40 117.36 2eei s VAL 28 Ca 0.38 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 2eei s VAL 28 Cb -0.12 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 2eei s VAL 28 CO 0.27 0.33 1.37 0.00 0.00 0.00 0.00 175.10 177.06 2eei s GLN 29 N 0.00 3.27 0.00 2.72 0.00 -1.26 -2.91 119.66 121.48 2eei s GLN 29 Ca -0.01 2.26 0.00 0.00 -0.00 0.00 0.00 55.36 57.61 2eei s GLN 29 Cb -0.09 -2.34 0.00 0.00 0.00 0.00 0.00 33.01 30.58 2eei s GLN 29 CO 0.01 -1.10 0.00 0.41 0.00 0.00 0.00 175.29 174.61 2eei n GLY 30 N 0.69 1.46 3.76 2.60 0.00 -1.26 -4.93 105.19 107.51 2eei n GLY 30 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 4.68 -0.23 1.61 1.02 -1.15 -5.04 119.74 120.63 2eei s LYS 31 Ca 0.00 1.59 -0.06 0.00 0.02 0.00 0.00 55.97 57.51 2eei s LYS 31 Cb 0.00 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 2eei s LYS 31 CO 0.00 0.31 0.04 0.15 -0.92 0.00 0.00 175.35 174.93 2eei s LYS 32 N -1.52 3.60 0.00 1.68 1.02 -1.26 -4.56 119.74 118.69 2eei s LYS 32 Ca 0.45 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.93 2eei s LYS 32 Cb -0.27 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2eei s LYS 32 CO 0.34 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 2eei n GLY 33 N 4.76 3.27 3.81 -3.33 0.00 -1.25 -4.60 105.19 107.85 2eei n GLY 33 Ca -0.17 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.75 4.38 0.28 1.61 -7.23 -1.25 -4.64 120.40 110.79 2eei s VAL 34 Ca 0.00 -1.43 -0.18 0.00 -1.81 0.00 0.00 61.98 58.57 2eei s VAL 34 Cb 0.00 -3.36 0.01 0.00 0.56 0.00 0.00 36.38 33.59 2eei s VAL 34 CO 0.00 -0.34 0.64 -0.72 -0.31 0.00 0.00 175.10 174.36 2eei s TYR 35 N -2.13 0.04 0.25 2.82 -0.85 -1.26 -2.34 117.35 113.88 2eei s TYR 35 Ca 0.33 -0.48 -0.30 0.00 -0.52 0.00 0.00 57.07 56.11 2eei s TYR 35 Cb -0.08 0.52 -0.09 0.00 0.38 0.00 0.00 41.96 42.70 2eei s TYR 35 CO 0.25 -1.17 0.95 -1.64 -1.52 0.00 0.00 175.55 172.41 2eei s MET 36 N -3.84 4.82 0.00 -3.49 -1.94 -1.22 -3.31 119.30 110.31 2eei s MET 36 Ca 0.16 1.49 0.00 0.00 -1.71 0.00 0.00 55.69 55.62 2eei s MET 36 Cb -0.04 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.58 2eei s MET 36 CO 0.08 0.48 0.00 -2.37 -0.01 0.00 0.00 175.02 173.20 2eei n THR 37 N 1.37 0.00 -3.93 2.05 5.66 -0.75 0.29 114.28 118.97 2eei n THR 37 Ca -0.02 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.70 2eei n THR 37 Cb 0.47 -0.58 -0.17 0.00 -1.55 0.00 0.00 70.33 68.50 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 -2.67 2.57 -0.26 1.09 2.15 -1.26 -4.72 116.67 113.58 2eei s ASP 38 Ca 0.00 -0.50 -0.05 0.00 0.43 0.00 0.00 52.55 52.43 2eei s ASP 38 Cb 0.00 -0.95 -0.00 0.00 -0.30 0.00 0.00 42.92 41.67 2eei s ASP 38 CO 0.00 -0.13 0.02 -0.63 -0.17 0.00 0.00 175.17 174.26 2eei s ILE 39 N 1.62 3.68 0.09 4.11 -1.09 -1.26 -1.98 121.20 126.38 2eei s ILE 39 Ca 0.03 -0.59 -0.31 0.00 -2.23 0.00 0.00 60.65 57.56 2eei s ILE 39 Cb -0.14 -2.79 -0.08 0.00 -1.58 0.00 0.00 42.46 37.87 2eei s ILE 39 CO -0.08 0.25 1.45 -0.89 -1.23 0.00 0.00 174.94 174.44 2eei s THR 40 N 1.49 3.26 0.08 2.92 2.01 -1.05 -4.96 115.64 119.38 2eei s THR 40 Ca 0.04 0.84 -0.31 0.00 0.31 0.00 0.00 61.69 62.57 2eei s THR 40 Cb -0.16 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 2eei s THR 40 CO -0.00 0.04 1.39 -2.16 -0.69 0.00 0.00 174.62 173.20 2eei s PRO 41 N 1.57 4.32 -0.75 4.92 0.04 -1.26 -2.94 135.00 140.89 2eei s PRO 41 Ca 0.66 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.71 2eei s PRO 41 Cb -0.37 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2eei s PRO 41 CO 0.30 -0.47 0.33 0.94 0.04 0.00 0.00 177.00 178.14 2eei n GLN 42 N 4.37 -2.58 -2.60 4.56 7.27 -1.26 -5.03 117.38 122.10 2eei n GLN 42 Ca 0.12 0.44 -0.10 0.00 0.07 0.00 0.00 57.00 57.53 2eei n GLN 42 Cb 0.43 -4.32 -0.01 0.00 2.41 0.00 0.00 30.24 28.75 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2eei n GLY 43 N -1.14 3.38 0.18 1.69 0.00 -1.15 -5.00 105.19 103.15 2eei n GLY 43 Ca -0.05 -2.24 -0.15 0.00 0.00 0.00 0.00 46.02 43.59 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 0.78 0.72 0.81 1.61 2.07 -1.74 -2.39 116.25 118.11 2eei h VAL 44 Ca -0.14 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2eei h VAL 44 Cb 0.46 0.73 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2eei h VAL 44 CO 0.22 0.00 -0.39 0.00 0.02 0.00 0.00 177.57 177.42 2eei h ALA 45 N 0.31 -1.28 -1.64 1.67 0.00 -1.75 0.34 119.26 116.90 2eei h ALA 45 Ca -0.04 -0.24 0.48 0.00 0.00 0.00 0.00 54.91 55.11 2eei h ALA 45 Cb 0.31 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2eei h ALA 45 CO 0.07 -1.20 1.24 1.98 0.00 0.00 0.00 179.25 181.33 2eei h MET 46 N -1.10 0.00 0.01 0.00 -1.53 -1.74 1.57 114.93 112.15 2eei h MET 46 Ca -0.11 0.00 -0.30 0.00 -3.44 0.00 0.00 59.70 55.85 2eei h MET 46 Cb 0.83 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.84 2eei h MET 46 CO 0.18 0.00 -1.75 -2.13 0.14 0.00 0.00 176.91 173.35 2eei n ARG 47 N -3.91 0.64 0.27 0.39 3.00 -0.90 -3.91 116.66 112.24 2eei n ARG 47 Ca 0.37 0.29 0.18 0.00 -0.00 0.00 0.00 57.85 58.68 2eei n ARG 47 Cb 1.74 -1.78 0.87 0.00 0.00 0.00 0.00 32.46 33.29 2eei n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2eei h ALA 48 N 0.93 1.00 0.00 5.13 0.00 0.63 -3.46 119.26 123.50 2eei h ALA 48 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2eei h ALA 48 Cb 2.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2eei h ALA 48 CO 0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2eei n GLY 49 N -0.56 1.30 3.71 0.00 0.00 -0.70 -4.29 105.19 104.64 2eei n GLY 49 Ca -0.01 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 4.73 0.22 1.61 0.11 -1.18 -4.89 120.40 119.00 2eei s VAL 50 Ca 0.00 -0.08 0.10 0.00 -2.93 0.00 0.00 61.98 59.07 2eei s VAL 50 Cb 0.00 -3.05 -0.05 0.00 -1.53 0.00 0.00 36.38 31.75 2eei s VAL 50 CO 0.00 0.56 -0.19 -1.48 -3.33 0.00 0.00 175.10 170.66 2eei s LEU 51 N -0.50 2.52 0.98 2.54 0.05 -1.26 -4.32 118.68 118.69 2eei s LEU 51 Ca 0.10 -0.96 -0.11 0.00 0.05 0.00 0.00 54.13 53.21 2eei s LEU 51 Cb -0.12 -0.96 0.18 0.00 -2.05 0.00 0.00 46.19 43.24 2eei s LEU 51 CO 0.02 -0.01 1.09 0.00 -0.55 0.00 0.00 176.35 176.91 2eei n ALA 52 N -0.19 -1.36 -3.32 1.48 0.00 -1.26 -3.82 120.51 112.04 2eei n ALA 52 Ca -0.09 -0.71 -0.16 0.00 0.00 0.00 0.00 53.44 52.49 2eei n ALA 52 Cb 0.59 -2.14 0.08 0.00 0.00 0.00 0.00 19.45 17.98 2eei n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2eei n ASP 53 N -4.33 -2.05 -3.96 0.00 8.00 0.15 -4.90 116.55 109.45 2eei n ASP 53 Ca 0.10 -0.57 -0.31 0.00 0.71 0.00 0.00 54.79 54.72 2eei n ASP 53 Cb 0.53 -4.78 -0.15 0.00 -0.02 0.00 0.00 41.12 36.69 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 -4.25 4.09 0.14 -2.24 1.01 -1.25 -4.58 116.67 109.59 2eei s ASP 54 Ca 0.00 -1.38 -0.31 0.00 0.71 0.00 0.00 52.55 51.57 2eei s ASP 54 Cb -0.00 -1.28 -0.10 0.00 1.01 0.00 0.00 42.92 42.55 2eei s ASP 54 CO 0.67 -0.26 1.76 -2.28 0.21 0.00 0.00 175.17 175.27 2eei s HIS 55 N 1.30 2.44 0.24 4.23 2.46 -1.26 -3.39 115.29 121.31 2eei s HIS 55 Ca -0.03 0.17 -0.30 0.00 0.47 0.00 0.00 55.06 55.37 2eei s HIS 55 Cb -0.19 -4.11 -0.09 0.00 -0.13 0.00 0.00 32.58 28.05 2eei s HIS 55 CO -0.08 -4.46 1.33 -0.51 -2.47 0.00 0.00 174.74 168.55 2eei s LEU 56 N 2.24 4.42 -0.16 8.88 1.43 -0.99 -3.93 118.68 130.57 2eei s LEU 56 Ca 0.78 2.52 -0.03 0.00 -1.03 0.00 0.00 54.13 56.37 2eei s LEU 56 Cb -0.46 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.05 2eei s LEU 56 CO 0.34 -0.55 -0.17 -0.38 0.23 0.00 0.00 176.35 175.82 2eei n ILE 57 N 2.09 0.90 -3.63 -0.59 2.08 0.06 -3.68 119.36 116.59 2eei n ILE 57 Ca 0.05 -0.29 -0.08 0.00 0.56 0.00 0.00 62.75 62.98 2eei n ILE 57 Cb 0.42 -1.34 -0.07 0.00 -0.75 0.00 0.00 39.64 37.90 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 -2.31 0.44 -0.14 0.38 -1.05 -1.23 -1.63 118.70 113.16 2eei s GLU 58 Ca -0.22 0.41 -0.00 0.00 -0.15 0.00 0.00 54.97 55.00 2eei s GLU 58 Cb 0.07 0.21 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 2eei s GLU 58 CO 0.33 -0.08 -0.13 0.08 0.95 0.00 0.00 175.26 176.42 2eei s VAL 59 N -0.12 3.04 -1.01 1.83 1.01 -0.81 -2.37 120.40 121.97 2eei s VAL 59 Ca 0.03 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2eei s VAL 59 Cb -0.04 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.10 2eei s VAL 59 CO -0.06 0.52 0.25 0.59 0.00 0.00 0.00 175.10 176.40 2eei n ASN 60 N 3.67 -3.16 -0.05 3.32 4.13 -0.00 0.35 115.26 123.53 2eei n ASN 60 Ca -0.18 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 55.99 2eei n ASN 60 Cb 0.52 -2.68 0.00 0.00 -1.54 0.00 0.00 39.78 36.09 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 -0.93 0.52 2.68 7.41 0.00 -1.26 -4.97 105.19 108.64 2eei n GLY 61 Ca -0.04 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.90 1.08 -0.29 1.61 2.02 0.16 -5.09 118.70 114.29 2eei s GLU 62 Ca 0.00 -1.75 -0.35 0.00 0.02 0.00 0.00 54.97 52.89 2eei s GLU 62 Cb 0.00 -2.14 -0.15 0.00 0.10 0.00 0.00 34.13 31.94 2eei s GLU 62 CO 0.00 -1.14 1.13 -1.71 0.02 0.00 0.00 175.26 173.56 2eei n ASN 63 N 3.85 0.69 -0.16 -0.19 2.85 -1.26 -1.93 115.26 119.11 2eei n ASN 63 Ca 0.07 0.91 0.04 0.00 -0.11 0.00 0.00 54.58 55.49 2eei n ASN 63 Cb 0.36 -0.69 0.05 0.00 1.24 0.00 0.00 39.78 40.75 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2eei n VAL 64 N 2.59 0.93 0.09 3.44 0.24 -0.65 -4.81 118.33 120.17 2eei n VAL 64 Ca 0.22 -1.07 -0.16 0.00 -2.04 0.00 0.00 64.34 61.29 2eei n VAL 64 Cb -0.02 0.29 -0.10 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.69 -0.95 7.34 5.08 -1.61 -2.03 114.58 121.72 2eei h GLU 65 Ca 0.00 0.05 -0.44 0.00 -1.00 0.00 0.00 59.36 57.97 2eei h GLU 65 Cb 1.00 0.16 -0.26 0.00 0.50 0.00 0.00 28.75 30.14 2eei h GLU 65 CO 0.00 -0.46 0.55 -0.25 -1.00 0.00 0.00 179.01 177.85 2eei n ASP 66 N -5.39 3.95 -4.83 1.42 8.00 -1.26 -3.84 116.55 114.59 2eei n ASP 66 Ca -0.08 -3.46 -0.38 0.00 0.71 0.00 0.00 54.79 51.58 2eei n ASP 66 Cb 0.40 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 40.63 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2eei s ALA 67 N -3.10 3.71 0.92 2.24 0.00 -0.76 -4.77 121.76 119.99 2eei s ALA 67 Ca 0.54 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 2eei s ALA 67 Cb 0.45 -2.33 0.14 0.00 0.00 0.00 0.00 23.12 21.38 2eei s ALA 67 CO 0.11 0.45 1.10 -1.12 0.00 0.00 0.00 175.76 176.31 2eei s SER 68 N -0.89 3.33 0.11 0.00 0.01 -1.26 -3.96 113.70 111.04 2eei s SER 68 Ca 0.22 1.26 -0.19 0.00 1.31 0.00 0.00 55.95 58.55 2eei s SER 68 Cb -0.16 -1.93 -0.06 0.00 0.21 0.00 0.00 66.02 64.08 2eei s SER 68 CO 0.11 -2.70 1.67 -0.74 0.41 0.00 0.00 173.24 171.99 2eei h HIS 69 N -1.59 0.36 0.00 2.43 2.76 -1.98 -1.74 115.15 115.39 2eei h HIS 69 Ca -0.51 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 2eei h HIS 69 Cb 1.31 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2eei h HIS 69 CO 0.36 0.36 0.00 0.93 -1.30 0.00 0.00 177.93 178.28 2eei h GLU 70 N 0.26 0.00 0.14 5.26 4.39 -2.00 -0.10 114.58 122.53 2eei h GLU 70 Ca 0.08 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.45 2eei h GLU 70 Cb 0.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2eei h GLU 70 CO -0.01 0.00 -1.68 0.93 -1.16 0.00 0.00 179.01 177.09 2eei h GLU 71 N 0.00 0.30 0.04 2.33 5.08 -1.69 -3.35 114.58 117.29 2eei h GLU 71 Ca 0.00 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2eei h GLU 71 Cb 0.02 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2eei h GLU 71 CO 0.00 1.17 -0.02 0.28 -1.00 0.00 0.00 179.01 179.44 2eei h VAL 72 N 0.08 0.40 -0.75 3.13 2.07 -0.80 -3.03 116.25 117.35 2eei h VAL 72 Ca -0.31 -1.24 0.18 0.00 0.82 0.00 0.00 66.70 66.15 2eei h VAL 72 Cb 2.05 0.74 -0.14 0.00 -1.52 0.00 0.00 31.29 32.42 2eei h VAL 72 CO 0.16 0.13 -0.08 0.55 0.02 0.00 0.00 177.57 178.34 2eei n VAL 73 N -4.78 -0.31 -0.06 2.57 3.14 -0.17 0.13 118.33 118.85 2eei n VAL 73 Ca -0.03 1.68 -0.12 0.00 -2.96 0.00 0.00 64.34 62.91 2eei n VAL 73 Cb 0.12 -2.39 -0.06 0.00 -1.06 0.00 0.00 33.84 30.45 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 0.34 -0.36 1.45 4.11 -1.70 -2.47 114.58 115.96 2eei h GLU 74 Ca 0.41 -0.15 0.10 0.00 0.07 0.00 0.00 59.36 59.79 2eei h GLU 74 Cb 0.74 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2eei h GLU 74 CO -0.74 0.66 0.33 0.87 0.07 0.00 0.00 179.01 180.20 2eei h LYS 75 N 0.01 0.00 0.06 1.06 1.57 0.12 0.11 116.57 119.50 2eei h LYS 75 Ca 0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2eei h LYS 75 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2eei h LYS 75 CO 0.02 0.00 -0.03 0.28 -0.57 0.00 0.00 179.45 179.16 2eei h VAL 76 N 0.00 0.00 -0.46 0.50 2.07 -0.65 -0.80 116.25 116.91 2eei h VAL 76 Ca 0.17 -0.75 0.13 0.00 0.82 0.00 0.00 66.70 67.08 2eei h VAL 76 Cb 0.82 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2eei h VAL 76 CO -0.00 0.00 0.36 0.07 0.02 0.00 0.00 177.57 178.02 2eei h LYS 77 N -0.83 0.00 0.01 1.57 2.10 -1.17 -2.08 116.57 116.18 2eei h LYS 77 Ca -0.01 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 2eei h LYS 77 Cb 0.06 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2eei h LYS 77 CO 0.01 0.00 -0.26 0.87 -2.00 0.00 0.00 179.45 178.08 2eei h LYS 78 N 0.00 0.03 -0.88 0.07 1.57 -0.89 -3.32 116.57 113.15 2eei h LYS 78 Ca 0.22 -0.05 0.34 0.00 -1.87 0.00 0.00 60.65 59.28 2eei h LYS 78 Cb 0.94 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.15 2eei h LYS 78 CO -0.00 1.03 0.52 0.43 -0.57 0.00 0.00 179.45 180.85 2eei n SER 79 N -4.53 0.22 0.00 0.86 7.64 -0.31 -4.86 113.62 112.64 2eei n SER 79 Ca -0.13 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2eei n SER 79 Cb 0.54 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.28 0.22 0.13 0.23 0.00 -1.20 -4.79 105.19 98.50 2eei n GLY 80 Ca 0.30 -1.54 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 2eei n GLY 80 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eei n SER 81 N 0.00 1.86 -4.64 1.61 2.88 -1.26 -4.79 113.62 109.27 2eei n SER 81 Ca 0.00 0.26 -0.30 0.00 -1.33 0.00 0.00 58.87 57.49 2eei n SER 81 Cb 0.00 -0.69 -0.09 0.00 -0.75 0.00 0.00 64.21 62.68 2eei n SER 81 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2eei s ARG 82 N -2.57 2.44 0.18 -1.46 0.52 -1.26 -1.89 118.95 114.91 2eei s ARG 82 Ca -0.18 -0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 54.15 2eei s ARG 82 Cb 0.07 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 2eei s ARG 82 CO 0.78 0.54 0.10 0.14 0.02 0.00 0.00 175.30 176.88 2eei s VAL 83 N -1.23 0.13 -0.30 3.52 -7.23 -0.15 -4.92 120.40 110.22 2eei s VAL 83 Ca 0.23 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2eei s VAL 83 Cb -0.11 -2.36 0.09 0.00 0.56 0.00 0.00 36.38 34.56 2eei s VAL 83 CO 0.15 -0.16 0.07 -0.32 -0.31 0.00 0.00 175.10 174.53 2eei s MET 84 N -4.10 0.95 -0.13 4.82 1.75 -1.26 -1.98 119.30 119.35 2eei s MET 84 Ca 0.34 -1.17 -0.14 0.00 -1.25 0.00 0.00 55.69 53.47 2eei s MET 84 Cb 0.07 -2.29 -0.05 0.00 2.84 0.00 0.00 34.83 35.41 2eei s MET 84 CO 0.09 -0.91 0.34 -0.06 -0.65 0.00 0.00 175.02 173.83 2eei s PHE 85 N 1.48 3.52 -0.27 4.11 0.08 -0.29 -0.82 117.98 125.78 2eei s PHE 85 Ca 0.08 0.71 0.03 0.00 0.12 0.00 0.00 56.93 57.87 2eei s PHE 85 Cb -0.18 -2.36 0.07 0.00 -0.57 0.00 0.00 43.02 39.99 2eei s PHE 85 CO -0.19 0.31 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.01 2eei s LEU 86 N 0.19 3.58 0.28 -0.37 2.96 -1.00 -0.05 118.68 124.28 2eei s LEU 86 Ca 0.19 -1.53 0.04 0.00 -0.22 0.00 0.00 54.13 52.61 2eei s LEU 86 Cb -0.14 -1.51 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 2eei s LEU 86 CO 0.07 -0.24 0.03 -0.76 -1.32 0.00 0.00 176.35 174.12 2eei s LEU 87 N 1.11 2.17 0.04 -0.68 1.02 -1.21 -0.76 118.68 120.37 2eei s LEU 87 Ca -0.04 -1.30 0.03 0.00 0.02 0.00 0.00 54.13 52.83 2eei s LEU 87 Cb -0.20 -0.34 -0.04 0.00 0.02 0.00 0.00 46.19 45.63 2eei s LEU 87 CO -0.06 -0.55 0.02 -0.69 0.02 0.00 0.00 176.35 175.08 2eei s VAL 88 N -3.34 4.20 0.64 -1.59 1.01 -1.25 -2.68 120.40 117.39 2eei s VAL 88 Ca 0.33 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 2eei s VAL 88 Cb 0.07 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 2eei s VAL 88 CO 0.13 0.27 1.20 -0.62 0.00 0.00 0.00 175.10 176.08 2eei s ASP 89 N -1.89 4.86 0.02 3.32 2.15 -1.26 -4.51 116.67 119.35 2eei s ASP 89 Ca 0.23 2.36 -0.26 0.00 0.43 0.00 0.00 52.55 55.31 2eei s ASP 89 Cb -0.12 -2.59 -0.17 0.00 -0.30 0.00 0.00 42.92 39.74 2eei s ASP 89 CO 0.14 -1.82 1.32 0.07 -0.17 0.00 0.00 175.17 174.72 2eei h LYS 90 N 0.45 -0.35 -0.42 4.34 2.10 -1.89 -1.89 116.57 118.90 2eei h LYS 90 Ca -0.49 0.02 0.12 0.00 -2.00 0.00 0.00 60.65 58.30 2eei h LYS 90 Cb 1.30 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.69 2eei h LYS 90 CO 0.53 -0.05 0.68 0.93 -2.00 0.00 0.00 179.45 179.54 2eei h GLU 91 N -0.66 0.00 0.00 0.07 5.08 -1.97 -1.89 114.58 115.22 2eei h GLU 91 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2eei h GLU 91 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2eei h GLU 91 CO 0.06 0.00 -0.25 1.15 -1.00 0.00 0.00 179.01 178.97 2eei h THR 92 N 0.00 0.00 -2.37 1.13 2.02 -1.86 -3.46 112.91 108.37 2eei h THR 92 Ca 0.20 -0.90 -0.55 0.00 0.77 0.00 0.00 66.41 65.93 2eei h THR 92 Cb 1.56 0.00 0.04 0.00 -1.74 0.00 0.00 68.15 68.01 2eei h THR 92 CO -0.00 0.00 1.06 -0.67 0.37 0.00 0.00 175.52 176.28 2eei n ASP 93 N -4.43 3.79 -4.55 4.18 2.03 -0.71 -4.89 116.55 111.96 2eei n ASP 93 Ca -0.03 1.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.87 2eei n ASP 93 Cb 0.13 -1.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.00 2eei n ASP 93 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2eei s LYS 94 N 2.72 3.19 0.21 -0.67 2.47 -1.26 -4.87 119.74 121.54 2eei s LYS 94 Ca 0.84 -0.39 -0.31 0.00 -1.56 0.00 0.00 55.97 54.55 2eei s LYS 94 Cb -0.55 -4.59 -0.16 0.00 -1.46 0.00 0.00 37.83 31.07 2eei s LYS 94 CO 0.40 -2.31 0.98 2.89 0.16 0.00 0.00 175.35 177.47 2eei n ARG 95 N 9.19 0.94 -2.47 4.03 1.85 -1.26 -4.87 116.66 124.07 2eei n ARG 95 Ca 0.16 0.33 -0.42 0.00 -1.00 0.00 0.00 57.85 56.92 2eei n ARG 95 Cb 0.50 -1.69 -0.03 0.00 -1.05 0.00 0.00 32.46 30.19 2eei n ARG 95 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2eei s HIS 96 N -0.63 3.14 0.18 2.89 5.65 -1.26 -4.96 115.29 120.31 2eei s HIS 96 Ca 0.67 1.20 -0.32 0.00 0.25 0.00 0.00 55.06 56.86 2eei s HIS 96 Cb -0.84 -3.42 -0.16 0.00 -1.18 0.00 0.00 32.58 26.98 2eei s HIS 96 CO 0.56 -1.32 1.13 0.28 -0.65 0.00 0.00 174.74 174.74 2eei n VAL 97 N 4.77 1.04 0.02 0.89 0.31 -1.26 -4.91 118.33 119.18 2eei n VAL 97 Ca 0.11 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.16 2eei n VAL 97 Cb 0.46 -0.83 -0.01 0.00 -0.91 0.00 0.00 33.84 32.56 2eei n VAL 97 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2eei n GLU 98 N 1.61 0.12 -0.47 5.55 4.07 -1.26 -5.07 120.64 125.20 2eei n GLU 98 Ca 0.15 0.05 -0.24 0.00 -0.06 0.00 0.00 57.16 57.06 2eei n GLU 98 Cb 0.25 -0.71 0.20 0.00 -0.06 0.00 0.00 31.44 31.12 2eei n GLU 98 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2eei n GLN 99 N -3.70 -2.87 -3.78 5.31 1.13 -1.26 -4.98 117.38 107.24 2eei n GLN 99 Ca -0.03 -0.85 -0.35 0.00 -1.94 0.00 0.00 57.00 53.83 2eei n GLN 99 Cb 0.12 -1.66 -0.05 0.00 0.11 0.00 0.00 30.24 28.76 2eei n GLN 99 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2eei s LYS 100 N -3.92 3.57 0.38 -1.09 1.02 -1.26 -5.11 119.74 113.32 2eei s LYS 100 Ca 0.49 -0.07 0.07 0.00 0.02 0.00 0.00 55.97 56.48 2eei s LYS 100 Cb -0.10 -3.11 -0.07 0.00 -0.52 0.00 0.00 37.83 34.03 2eei s LYS 100 CO 0.46 0.68 -0.02 0.45 -0.92 0.00 0.00 175.35 176.00 2eei s SER 101 N -1.56 3.67 0.47 2.83 0.15 -1.26 -5.16 113.70 112.83 2eei s SER 101 Ca 0.25 -1.31 0.05 0.00 0.70 0.00 0.00 55.95 55.64 2eei s SER 101 Cb -0.13 -0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 63.81 2eei s SER 101 CO 0.14 -0.39 0.20 -0.83 1.20 0.00 0.00 173.24 173.56 2eei s GLY 102 N -3.65 2.51 0.00 9.45 0.00 -1.26 -5.00 107.32 109.36 2eei s GLY 102 Ca 0.34 -1.50 0.15 0.00 0.00 0.00 0.00 44.72 43.71 2eei s GLY 102 CO 0.17 -1.99 1.39 -1.55 0.00 0.00 0.00 173.10 171.12 2eei n PRO 103 N -1.38 0.28 -3.70 2.90 -0.04 -1.26 -4.51 135.00 127.29 2eei n PRO 103 Ca -0.05 0.11 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 2eei n PRO 103 Cb 0.65 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.49 2eei n PRO 103 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2eei s SER 104 N -2.42 5.44 -0.04 3.54 0.01 -1.26 -5.06 113.70 113.91 2eei s SER 104 Ca 0.16 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.35 2eei s SER 104 Cb 0.10 -1.92 0.03 0.00 0.21 0.00 0.00 66.02 64.44 2eei s SER 104 CO 0.21 -0.34 0.04 -0.55 0.41 0.00 0.00 173.24 173.02 2eei s SER 105 N 1.46 0.95 0.00 2.44 0.15 -1.26 -5.16 113.70 112.27 2eei s SER 105 Ca -0.00 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2eei s SER 105 Cb -0.19 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2eei s SER 105 CO 0.04 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.88