#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eei h SER 2 N 0.00 -0.10 -3.06 1.61 0.02 -2.12 -3.47 113.55 106.43 2eei h SER 2 Ca 0.00 -0.17 -0.46 0.00 -0.84 0.00 0.00 61.79 60.32 2eei h SER 2 Cb 0.00 0.03 0.14 0.00 0.14 0.00 0.00 62.40 62.71 2eei h SER 2 CO 0.00 0.46 0.30 -0.44 -1.14 0.00 0.00 176.83 176.01 2eei s SER 3 N -5.52 3.38 -0.41 3.07 0.01 -1.26 -5.07 113.70 107.89 2eei s SER 3 Ca -0.05 -0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.14 2eei s SER 3 Cb -0.00 0.05 0.21 0.00 0.21 0.00 0.00 66.02 66.49 2eei s SER 3 CO 0.19 -2.53 0.45 0.61 0.41 0.00 0.00 173.24 172.36 2eei n GLY 4 N -3.46 2.61 2.93 3.44 0.00 -1.26 -5.10 105.19 104.35 2eei n GLY 4 Ca 0.17 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 2eei n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eei s SER 5 N -0.68 -0.04 0.17 1.61 0.15 -1.26 -5.16 113.70 108.48 2eei s SER 5 Ca 0.34 0.08 -0.09 0.00 0.70 0.00 0.00 55.95 56.98 2eei s SER 5 Cb 0.11 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.52 2eei s SER 5 CO -0.15 -0.04 0.30 -0.55 1.20 0.00 0.00 173.24 174.00 2eei s SER 6 N -0.05 0.02 0.00 5.45 0.15 -1.26 -4.97 113.70 113.04 2eei s SER 6 Ca -0.01 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2eei s SER 6 Cb -0.01 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2eei s SER 6 CO 0.00 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.15 2eei n GLY 7 N -0.22 2.58 3.86 9.45 0.00 -1.26 -5.04 105.19 114.57 2eei n GLY 7 Ca -0.07 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 2eei n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eei s GLN 8 N 0.00 3.81 0.17 1.61 -0.21 -1.26 -5.08 119.66 118.70 2eei s GLN 8 Ca 0.00 0.71 -0.03 0.00 0.02 0.00 0.00 55.36 56.06 2eei s GLN 8 Cb 0.00 -2.23 0.04 0.00 1.00 0.00 0.00 33.01 31.82 2eei s GLN 8 CO 0.00 -0.23 0.15 -0.35 -2.12 0.00 0.00 175.29 172.74 2eei n PRO 9 N -1.72 -1.32 -4.57 2.91 -0.04 -1.26 -5.04 135.00 123.95 2eei n PRO 9 Ca 0.05 -0.25 -0.31 0.00 -0.04 0.00 0.00 63.50 62.95 2eei n PRO 9 Cb 0.54 -0.23 -0.12 0.00 -0.04 0.00 0.00 33.50 33.65 2eei n PRO 9 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2eei s ARG 10 N -3.35 2.24 -0.44 0.54 1.70 -1.05 -5.05 118.95 113.54 2eei s ARG 10 Ca 0.10 -0.89 -0.10 0.00 -0.47 0.00 0.00 55.73 54.37 2eei s ARG 10 Cb -0.01 -2.30 0.09 0.00 -0.57 0.00 0.00 34.95 32.16 2eei s ARG 10 CO 0.08 0.56 0.30 -1.17 -1.08 0.00 0.00 175.30 173.99 2eei s LEU 11 N -1.46 5.37 -0.67 -1.89 1.98 -1.26 -3.16 118.68 117.59 2eei s LEU 11 Ca 0.16 -1.61 -0.19 0.00 -2.89 0.00 0.00 54.13 49.59 2eei s LEU 11 Cb -0.11 -2.02 0.11 0.00 0.66 0.00 0.00 46.19 44.84 2eei s LEU 11 CO 0.06 -0.60 0.83 0.00 -1.89 0.00 0.00 176.35 174.75 2eei s TYR 13 N 2.82 2.36 0.21 0.00 5.04 -1.26 -1.41 117.35 125.10 2eei s TYR 13 Ca 0.17 -0.18 -0.21 0.00 -2.44 0.00 0.00 57.07 54.41 2eei s TYR 13 Cb -0.19 -4.59 -0.08 0.00 0.35 0.00 0.00 41.96 37.45 2eei s TYR 13 CO 0.04 -2.01 0.75 -0.51 -1.34 0.00 0.00 175.55 172.48 2eei s LEU 14 N 5.44 4.41 -0.12 6.97 2.01 0.10 -4.88 118.68 132.61 2eei s LEU 14 Ca 0.34 1.50 -0.04 0.00 0.01 0.00 0.00 54.13 55.94 2eei s LEU 14 Cb -0.09 -3.53 0.05 0.00 0.01 0.00 0.00 46.19 42.64 2eei s LEU 14 CO 0.13 0.07 0.11 -0.69 1.01 0.00 0.00 176.35 176.98 2eei s VAL 15 N -1.43 -0.17 -0.60 -1.59 1.01 -1.26 -0.29 120.40 116.08 2eei s VAL 15 Ca 0.41 0.14 -0.37 0.00 0.00 0.00 0.00 61.98 62.16 2eei s VAL 15 Cb -0.18 -0.40 -0.17 0.00 0.00 0.00 0.00 36.38 35.63 2eei s VAL 15 CO 0.22 -0.04 2.32 0.29 0.00 0.00 0.00 175.10 177.90 2eei n LYS 16 N 5.30 0.34 -0.06 2.72 5.02 -0.34 -4.74 118.16 126.40 2eei n LYS 16 Ca -0.05 0.07 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 2eei n LYS 16 Cb 0.50 -1.88 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 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 8.05 0.30 -4.54 1.97 1.02 -1.26 -4.95 120.64 121.23 2eei n GLU 17 Ca 0.53 0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 57.45 2eei n GLU 17 Cb 0.09 -1.22 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2eei s GLY 18 N -5.20 2.72 0.39 0.62 0.00 -1.26 -4.97 107.32 99.62 2eei s GLY 18 Ca -0.17 -1.25 0.34 0.00 0.00 0.00 0.00 44.72 43.64 2eei s GLY 18 CO 0.28 -2.11 1.18 0.61 0.00 0.00 0.00 173.10 173.06 2eei n GLY 19 N -1.23 -0.71 3.49 0.20 0.00 -1.26 -4.40 105.19 101.28 2eei n GLY 19 Ca -0.11 0.54 -0.17 0.00 0.00 0.00 0.00 46.02 46.28 2eei n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eei s SER 20 N -4.05 -0.63 1.11 1.61 1.04 -1.26 -5.17 113.70 106.36 2eei s SER 20 Ca -0.04 0.55 -0.18 0.00 0.48 0.00 0.00 55.95 56.76 2eei s SER 20 Cb 0.21 0.54 0.12 0.00 0.10 0.00 0.00 66.02 67.00 2eei s SER 20 CO 0.65 -0.68 0.03 -1.22 0.98 0.00 0.00 173.24 173.01 2eei n TYR 21 N 0.66 -1.70 -1.40 5.02 4.01 -1.26 -4.88 117.16 117.60 2eei n TYR 21 Ca -0.19 0.09 -0.19 0.00 -0.16 0.00 0.00 57.90 57.45 2eei n TYR 21 Cb 0.59 -1.50 0.15 0.00 -0.31 0.00 0.00 39.34 38.27 2eei n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2eei n GLY 22 N 2.19 5.07 3.01 2.72 0.00 -1.26 -4.95 105.19 111.97 2eei n GLY 22 Ca 0.02 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.41 0.34 0.04 1.61 -0.12 -1.26 0.20 117.98 115.37 2eei s PHE 23 Ca 0.54 -0.69 0.09 0.00 -0.05 0.00 0.00 56.93 56.81 2eei s PHE 23 Cb 0.45 -0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 2eei s PHE 23 CO 0.04 -0.25 -0.25 -1.12 -0.05 0.00 0.00 175.22 173.59 2eei s SER 24 N -1.89 2.99 0.02 1.98 0.01 -0.70 -4.96 113.70 111.15 2eei s SER 24 Ca -0.09 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.63 2eei s SER 24 Cb -0.05 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 2eei s SER 24 CO -0.04 0.24 -0.00 -0.76 0.41 0.00 0.00 173.24 173.09 2eei s LEU 25 N -1.16 3.48 0.09 2.44 1.43 -1.26 -0.31 118.68 123.38 2eei s LEU 25 Ca 0.11 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2eei s LEU 25 Cb -0.10 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.08 2eei s LEU 25 CO 0.02 0.25 0.28 -1.59 0.23 0.00 0.00 176.35 175.54 2eei s LYS 26 N -1.74 0.89 0.11 1.70 -2.85 -1.25 -4.98 119.74 111.62 2eei s LYS 26 Ca 0.21 -0.76 0.07 0.00 -1.00 0.00 0.00 55.97 54.49 2eei s LYS 26 Cb -0.12 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 2eei s LYS 26 CO 0.12 -0.30 -0.10 0.95 0.10 0.00 0.00 175.35 176.12 2eei s THR 27 N -3.47 3.38 -0.08 3.79 -4.23 -1.26 -3.92 115.64 109.86 2eei s THR 27 Ca 0.02 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.26 2eei s THR 27 Cb 0.02 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.28 2eei s THR 27 CO -0.09 0.10 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.25 2eei s VAL 28 N -1.25 1.32 0.05 2.29 1.01 -1.26 -5.10 120.40 117.46 2eei s VAL 28 Ca 0.22 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 2eei s VAL 28 Cb -0.11 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.98 2eei s VAL 28 CO 0.14 0.40 1.91 -1.58 0.00 0.00 0.00 175.10 175.97 2eei s GLN 29 N 0.73 4.15 0.00 2.72 0.74 -1.26 -2.43 119.66 124.31 2eei s GLN 29 Ca -0.13 2.57 0.00 0.00 0.05 0.00 0.00 55.36 57.85 2eei s GLN 29 Cb -0.16 -4.02 0.00 0.00 1.10 0.00 0.00 33.01 29.93 2eei s GLN 29 CO 0.03 -0.92 0.00 0.41 -0.55 0.00 0.00 175.29 174.26 2eei n GLY 30 N 4.44 3.04 2.96 2.59 0.00 -1.26 -5.05 105.19 111.91 2eei n GLY 30 Ca 0.19 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 -4.58 -4.80 1.61 5.02 -1.02 -5.04 118.16 109.35 2eei n LYS 31 Ca 0.00 -1.37 -0.31 0.00 -2.02 0.00 0.00 58.31 54.61 2eei n LYS 31 Cb 0.00 -1.74 -0.13 0.00 -0.02 0.00 0.00 35.03 33.13 2eei n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2eei s LYS 32 N -4.96 2.07 2.85 1.97 -0.14 -1.26 -4.92 119.74 115.34 2eei s LYS 32 Ca 0.62 -0.97 0.00 0.00 -1.36 0.00 0.00 55.97 54.26 2eei s LYS 32 Cb -0.11 -2.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 2eei s LYS 32 CO 0.52 0.55 0.00 0.41 -0.76 0.00 0.00 175.35 176.06 2eei n GLY 33 N 1.77 1.46 2.65 -3.33 0.00 -0.99 -4.83 105.19 101.92 2eei n GLY 33 Ca -0.16 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 2eei n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2eei n VAL 34 N 0.00 0.00 -3.77 1.61 0.24 -1.26 -4.62 118.33 110.52 2eei n VAL 34 Ca 0.00 -1.96 -0.09 0.00 -2.04 0.00 0.00 64.34 60.25 2eei n VAL 34 Cb 0.00 0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 2eei n VAL 34 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 2eei s TYR 35 N -2.99 -0.13 0.36 6.34 -0.85 -1.25 -2.57 117.35 116.27 2eei s TYR 35 Ca 0.27 -0.24 -0.26 0.00 -0.52 0.00 0.00 57.07 56.31 2eei s TYR 35 Cb 0.01 0.49 -0.09 0.00 0.38 0.00 0.00 41.96 42.75 2eei s TYR 35 CO 0.19 -1.02 1.15 -1.64 -1.52 0.00 0.00 175.55 172.70 2eei s MET 36 N -3.89 4.25 0.15 -3.49 -1.94 -1.11 -3.78 119.30 109.49 2eei s MET 36 Ca 0.11 1.82 -0.14 0.00 -1.71 0.00 0.00 55.69 55.77 2eei s MET 36 Cb -0.03 -2.83 0.02 0.00 2.01 0.00 0.00 34.83 34.00 2eei s MET 36 CO 0.01 -0.14 0.38 -0.08 -0.01 0.00 0.00 175.02 175.17 2eei s THR 37 N -1.36 0.06 -1.67 2.05 -1.32 0.58 -1.44 115.64 112.54 2eei s THR 37 Ca 0.53 -0.94 -0.13 0.00 -1.21 0.00 0.00 61.69 59.94 2eei s THR 37 Cb -0.31 -1.51 0.12 0.00 -1.51 0.00 0.00 72.50 69.29 2eei s THR 37 CO 0.39 -0.29 0.51 -0.67 -2.21 0.00 0.00 174.62 172.36 2eei n ASP 38 N -0.24 -1.53 -4.62 8.08 -0.08 -1.26 -1.72 116.55 115.17 2eei n ASP 38 Ca -0.11 -1.13 -0.50 0.00 -1.51 0.00 0.00 54.79 51.53 2eei n ASP 38 Cb 0.63 -2.26 -0.06 0.00 2.34 0.00 0.00 41.12 41.78 2eei n ASP 38 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2eei n ILE 39 N -4.34 0.42 -1.76 5.18 2.08 -1.26 -4.35 119.36 115.33 2eei n ILE 39 Ca -0.06 -0.16 -0.41 0.00 0.56 0.00 0.00 62.75 62.68 2eei n ILE 39 Cb 0.56 -1.75 -0.01 0.00 -0.75 0.00 0.00 39.64 37.69 2eei n ILE 39 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2eei n THR 40 N 5.75 1.40 -2.25 1.39 -1.04 0.13 -4.94 114.28 114.72 2eei n THR 40 Ca 0.28 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 2eei n THR 40 Cb 0.26 -1.96 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 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 -1.12 4.44 -1.34 -2.82 0.04 -1.26 -3.54 135.00 129.40 2eei s PRO 41 Ca 0.60 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.59 2eei s PRO 41 Cb -0.49 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 30.91 2eei s PRO 41 CO 0.54 -0.12 0.47 1.04 0.04 0.00 0.00 177.00 178.98 2eei n GLN 42 N 1.63 -1.96 -4.54 4.56 1.13 -1.26 -4.96 117.38 111.98 2eei n GLN 42 Ca 0.02 0.31 -0.26 0.00 -1.94 0.00 0.00 57.00 55.13 2eei n GLN 42 Cb 0.43 -3.97 -0.08 0.00 0.11 0.00 0.00 30.24 26.73 2eei n GLN 42 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2eei s GLY 43 N -4.05 2.60 0.50 1.08 0.00 -1.23 -4.93 107.32 101.29 2eei s GLY 43 Ca 0.18 -1.23 0.34 0.00 0.00 0.00 0.00 44.72 44.01 2eei s GLY 43 CO 0.91 -1.88 1.76 -2.08 0.00 0.00 0.00 173.10 171.82 2eei h VAL 44 N 1.77 0.37 0.04 1.40 2.07 -1.89 0.59 116.25 120.60 2eei h VAL 44 Ca -0.37 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2eei h VAL 44 Cb 1.28 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2eei h VAL 44 CO 0.60 0.02 -0.02 0.00 0.02 0.00 0.00 177.57 178.19 2eei h ALA 45 N 1.43 -0.08 0.00 1.67 0.00 -1.87 -2.56 119.26 117.85 2eei h ALA 45 Ca 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2eei h ALA 45 Cb 2.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.09 2eei h ALA 45 CO -0.11 -0.08 0.20 1.98 0.00 0.00 0.00 179.25 181.24 2eei h MET 46 N -0.66 0.00 0.09 0.00 1.85 -1.54 0.99 114.93 115.67 2eei h MET 46 Ca -0.01 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.79 2eei h MET 46 Cb 0.05 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 2eei h MET 46 CO 0.01 0.00 -1.49 -0.09 -0.40 0.00 0.00 176.91 174.94 2eei h ARG 47 N 0.00 0.18 0.00 0.39 9.65 0.08 -3.28 114.38 121.40 2eei h ARG 47 Ca 0.00 -0.31 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 2eei h ARG 47 Cb 0.40 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2eei h ARG 47 CO 0.00 1.02 0.00 0.00 2.80 0.00 0.00 179.97 183.79 2eei n ALA 48 N -2.62 1.67 0.00 2.80 0.00 0.32 -4.85 120.51 117.84 2eei n ALA 48 Ca -0.15 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2eei n ALA 48 Cb 1.03 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.03 1.00 3.78 0.00 0.00 -1.08 -4.64 105.19 104.28 2eei n GLY 49 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 4.68 -0.03 1.61 0.11 -1.12 -5.03 120.40 118.62 2eei s VAL 50 Ca 0.00 1.43 0.07 0.00 -2.93 0.00 0.00 61.98 60.55 2eei s VAL 50 Cb 0.00 -4.01 -0.02 0.00 -1.53 0.00 0.00 36.38 30.82 2eei s VAL 50 CO 0.00 0.48 -0.23 -1.48 -3.33 0.00 0.00 175.10 170.54 2eei s LEU 51 N -0.70 2.21 0.93 2.54 0.05 -1.26 -4.19 118.68 118.25 2eei s LEU 51 Ca 0.33 -0.41 -0.15 0.00 0.05 0.00 0.00 54.13 53.95 2eei s LEU 51 Cb -0.20 -1.39 -0.05 0.00 -2.05 0.00 0.00 46.19 42.49 2eei s LEU 51 CO 0.21 0.32 -0.10 0.00 -0.55 0.00 0.00 176.35 176.24 2eei n ALA 52 N 2.42 -3.70 -3.09 1.48 0.00 -1.26 -3.70 120.51 112.65 2eei n ALA 52 Ca -0.16 -0.58 -0.14 0.00 0.00 0.00 0.00 53.44 52.56 2eei n ALA 52 Cb 0.51 -1.52 0.07 0.00 0.00 0.00 0.00 19.45 18.51 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 0.88 -4.02 -3.95 0.00 8.00 -0.52 -4.94 116.55 112.00 2eei n ASP 53 Ca 0.04 -0.56 -0.31 0.00 0.71 0.00 0.00 54.79 54.67 2eei n ASP 53 Cb 0.54 -4.46 -0.15 0.00 -0.02 0.00 0.00 41.12 37.03 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 -3.74 4.10 -0.35 -2.24 1.01 -1.23 -4.46 116.67 109.77 2eei s ASP 54 Ca 0.20 -1.41 -0.33 0.00 0.71 0.00 0.00 52.55 51.72 2eei s ASP 54 Cb -0.03 -1.27 -0.10 0.00 1.01 0.00 0.00 42.92 42.53 2eei s ASP 54 CO 0.62 -0.27 2.23 1.57 0.21 0.00 0.00 175.17 179.54 2eei n HIS 55 N 4.59 1.64 -1.70 4.23 -0.00 -1.26 -2.75 115.22 119.96 2eei n HIS 55 Ca -0.09 0.17 -0.42 0.00 0.46 0.00 0.00 57.72 57.84 2eei n HIS 55 Cb 0.43 -2.58 -0.03 0.00 -0.12 0.00 0.00 29.99 27.69 2eei n HIS 55 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2eei n LEU 56 N 10.80 3.99 -0.11 0.27 7.94 -1.06 -4.05 117.00 134.78 2eei n LEU 56 Ca 0.39 1.02 -0.19 0.00 -1.11 0.00 0.00 56.01 56.11 2eei n LEU 56 Cb 0.30 -1.55 -0.08 0.00 0.53 0.00 0.00 43.42 42.62 2eei n LEU 56 CO 0.74 0.16 -0.83 -0.38 -1.11 0.00 0.00 177.39 175.97 2eei n ILE 57 N 4.41 1.51 -3.93 1.96 2.08 0.48 -4.16 119.36 121.70 2eei n ILE 57 Ca 0.17 -0.08 -0.09 0.00 0.56 0.00 0.00 62.75 63.32 2eei n ILE 57 Cb 0.36 -2.10 -0.03 0.00 -0.75 0.00 0.00 39.64 37.12 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 -2.48 1.73 -0.12 0.38 -1.05 -1.21 -1.77 118.70 114.17 2eei s GLU 58 Ca -0.30 -1.20 -0.02 0.00 -0.15 0.00 0.00 54.97 53.30 2eei s GLU 58 Cb 0.08 0.54 0.04 0.00 -0.44 0.00 0.00 34.13 34.35 2eei s GLU 58 CO 0.47 -0.76 0.03 0.08 0.95 0.00 0.00 175.26 176.03 2eei s VAL 59 N -3.76 0.31 -1.61 1.83 1.01 -0.03 -2.78 120.40 115.38 2eei s VAL 59 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2eei s VAL 59 Cb -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.69 2eei s VAL 59 CO 0.09 0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.82 2eei n ASN 60 N 5.15 -5.00 -0.11 3.32 3.02 0.67 -2.50 115.26 119.81 2eei n ASN 60 Ca -0.07 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2eei n ASN 60 Cb 0.49 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 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 -0.96 1.06 2.78 7.41 0.00 -1.26 -4.95 105.19 109.26 2eei n GLY 61 Ca -0.19 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.67 0.70 -0.31 1.61 2.56 -1.04 -5.09 118.70 114.45 2eei s GLU 62 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 54.97 54.71 2eei s GLU 62 Cb 0.00 -1.16 -0.05 0.00 2.00 0.00 0.00 34.13 34.92 2eei s GLU 62 CO 0.00 -0.34 2.24 1.21 -0.56 0.00 0.00 175.26 177.81 2eei s ASN 63 N 1.94 5.19 0.00 -1.70 3.84 -1.26 -0.85 114.94 122.09 2eei s ASN 63 Ca 0.04 1.58 0.09 0.00 0.21 0.00 0.00 52.86 54.78 2eei s ASN 63 Cb -0.13 -2.51 0.19 0.00 -0.55 0.00 0.00 41.25 38.25 2eei s ASN 63 CO -0.06 -2.22 1.06 1.33 -2.79 0.00 0.00 177.10 174.42 2eei n VAL 64 N 7.80 0.64 -0.37 -5.21 0.24 -0.73 -4.68 118.33 116.02 2eei n VAL 64 Ca 0.31 -0.82 0.34 0.00 -2.04 0.00 0.00 64.34 62.13 2eei n VAL 64 Cb 0.48 0.75 0.60 0.00 -1.47 0.00 0.00 33.84 34.21 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 1.70 0.04 -1.16 7.34 5.08 -1.60 0.52 114.58 126.50 2eei h GLU 65 Ca 0.00 -0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2eei h GLU 65 Cb 0.58 -0.01 -0.42 0.00 0.50 0.00 0.00 28.75 29.40 2eei h GLU 65 CO 0.00 0.03 -0.70 -0.40 -1.00 0.00 0.00 179.01 176.94 2eei n ASP 66 N -5.07 4.94 -4.40 1.42 5.75 -1.26 -2.35 116.55 115.58 2eei n ASP 66 Ca 0.38 -3.74 -0.33 0.00 -0.01 0.00 0.00 54.79 51.09 2eei n ASP 66 Cb 1.34 -0.43 -0.14 0.00 -1.03 0.00 0.00 41.12 40.86 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 -3.59 2.61 0.67 2.12 0.00 0.18 -4.77 121.76 118.98 2eei s ALA 67 Ca 0.50 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 2eei s ALA 67 Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2eei s ALA 67 CO -0.08 0.37 1.25 -1.12 0.00 0.00 0.00 175.76 176.18 2eei s SER 68 N -0.06 4.52 0.24 0.00 0.01 -1.26 -4.20 113.70 112.95 2eei s SER 68 Ca -0.03 2.51 -0.04 0.00 1.31 0.00 0.00 55.95 59.70 2eei s SER 68 Cb -0.14 -2.61 0.44 0.00 0.21 0.00 0.00 66.02 63.93 2eei s SER 68 CO 0.04 -2.05 1.75 -0.74 0.41 0.00 0.00 173.24 172.65 2eei h HIS 69 N 0.30 0.62 0.00 2.43 2.76 -1.97 0.30 115.15 119.59 2eei h HIS 69 Ca -0.50 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.69 2eei h HIS 69 Cb 1.32 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 30.12 2eei h HIS 69 CO 0.44 0.15 -0.07 0.93 -1.30 0.00 0.00 177.93 178.08 2eei h GLU 70 N 0.54 0.00 0.00 5.26 3.07 -2.00 0.07 114.58 121.53 2eei h GLU 70 Ca 0.41 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 59.09 2eei h GLU 70 Cb 0.55 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 2eei h GLU 70 CO -0.35 0.07 -0.91 0.93 -1.40 0.00 0.00 179.01 177.34 2eei h GLU 71 N 0.00 0.00 0.00 2.33 4.39 -0.76 -3.28 114.58 117.26 2eei h GLU 71 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2eei h GLU 71 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2eei h GLU 71 CO 0.01 0.78 -0.31 0.28 -1.16 0.00 0.00 179.01 178.60 2eei h VAL 72 N 0.00 0.80 -0.82 3.13 2.07 -0.40 -3.24 116.25 117.79 2eei h VAL 72 Ca -0.03 -1.69 0.13 0.00 0.82 0.00 0.00 66.70 65.92 2eei h VAL 72 Cb 1.66 1.61 -0.14 0.00 -1.52 0.00 0.00 31.29 32.90 2eei h VAL 72 CO 0.10 0.27 -0.38 1.62 0.02 0.00 0.00 177.57 179.20 2eei h VAL 73 N -1.00 0.07 -0.83 2.57 3.04 -1.19 0.44 116.25 119.34 2eei h VAL 73 Ca -0.06 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.70 2eei h VAL 73 Cb 0.67 0.07 -0.07 0.00 -2.01 0.00 0.00 31.29 29.95 2eei h VAL 73 CO -0.04 0.00 0.50 1.05 -1.01 0.00 0.00 177.57 178.07 2eei h GLU 74 N -0.07 0.86 0.00 4.17 4.11 -1.73 0.22 114.58 122.13 2eei h GLU 74 Ca 0.29 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.64 2eei h GLU 74 Cb 0.57 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2eei h GLU 74 CO -0.86 0.57 -0.12 0.87 0.07 0.00 0.00 179.01 179.54 2eei h LYS 75 N 0.88 0.00 0.08 1.06 1.57 -0.26 -0.19 116.57 119.72 2eei h LYS 75 Ca 0.38 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2eei h LYS 75 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2eei h LYS 75 CO -0.20 0.12 -0.04 0.28 -0.57 0.00 0.00 179.45 179.04 2eei h VAL 76 N 0.00 0.00 -1.01 0.50 2.07 0.99 -1.98 116.25 116.83 2eei h VAL 76 Ca -0.00 -0.64 0.14 0.00 0.82 0.00 0.00 66.70 67.02 2eei h VAL 76 Cb 0.25 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 2eei h VAL 76 CO 0.02 0.00 0.63 0.07 0.02 0.00 0.00 177.57 178.30 2eei h LYS 77 N -0.74 0.91 -0.30 1.57 2.10 -1.23 -0.59 116.57 118.28 2eei h LYS 77 Ca -0.01 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.44 2eei h LYS 77 Cb 0.08 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.20 2eei h LYS 77 CO 0.02 0.60 -0.39 0.87 -2.00 0.00 0.00 179.45 178.55 2eei h LYS 78 N 0.93 0.73 -0.70 0.07 1.57 -1.16 -3.22 116.57 114.79 2eei h LYS 78 Ca 0.52 -0.37 0.16 0.00 -1.87 0.00 0.00 60.65 59.09 2eei h LYS 78 Cb 0.60 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.79 2eei h LYS 78 CO -0.30 0.99 -0.09 -1.13 -0.57 0.00 0.00 179.45 178.35 2eei n SER 79 N -4.04 -0.18 0.00 0.86 3.41 -0.23 -4.86 113.62 108.59 2eei n SER 79 Ca -0.02 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 2eei n SER 79 Cb 0.53 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.40 1.28 1.24 5.00 0.00 -1.22 -4.86 105.19 105.24 2eei n GLY 80 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2eei n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eei n SER 81 N 0.00 0.29 -4.45 1.61 3.41 -1.26 -5.01 113.62 108.21 2eei n SER 81 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2eei n SER 81 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2eei n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2eei s ARG 82 N -1.95 1.60 0.28 4.33 1.70 -1.26 -1.20 118.95 122.45 2eei s ARG 82 Ca 0.00 -1.45 0.02 0.00 -0.47 0.00 0.00 55.73 53.84 2eei s ARG 82 Cb 0.00 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.42 2eei s ARG 82 CO 0.00 0.42 0.15 0.14 -1.08 0.00 0.00 175.30 174.93 2eei s VAL 83 N -1.58 0.27 -0.23 4.99 -7.23 0.60 -4.95 120.40 112.27 2eei s VAL 83 Ca 0.20 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2eei s VAL 83 Cb -0.08 -2.53 0.06 0.00 0.56 0.00 0.00 36.38 34.38 2eei s VAL 83 CO 0.10 0.00 -0.07 -0.32 -0.31 0.00 0.00 175.10 174.50 2eei s MET 84 N -3.90 1.82 -0.29 4.82 1.75 -1.26 -0.72 119.30 121.52 2eei s MET 84 Ca 0.37 -1.04 -0.09 0.00 -1.25 0.00 0.00 55.69 53.68 2eei s MET 84 Cb 0.06 -2.62 -0.01 0.00 2.84 0.00 0.00 34.83 35.09 2eei s MET 84 CO 0.17 -0.56 0.13 -0.06 -0.65 0.00 0.00 175.02 174.04 2eei s PHE 85 N 1.33 3.15 -0.29 4.11 0.08 -0.50 -0.24 117.98 125.63 2eei s PHE 85 Ca -0.06 -0.52 -0.09 0.00 0.12 0.00 0.00 56.93 56.38 2eei s PHE 85 Cb -0.19 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 39.93 2eei s PHE 85 CO -0.06 -0.42 0.12 -1.17 -0.10 0.00 0.00 175.22 173.59 2eei s LEU 86 N 1.61 3.85 0.37 -0.37 2.96 -1.12 -1.51 118.68 124.47 2eei s LEU 86 Ca 0.05 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2eei s LEU 86 Cb -0.16 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2eei s LEU 86 CO 0.05 -0.12 0.16 -0.76 -1.32 0.00 0.00 176.35 174.36 2eei s LEU 87 N 1.62 1.88 0.20 -0.68 1.02 -1.19 -0.39 118.68 121.14 2eei s LEU 87 Ca 0.05 -1.65 0.10 0.00 0.02 0.00 0.00 54.13 52.65 2eei s LEU 87 Cb -0.16 0.08 -0.04 0.00 0.02 0.00 0.00 46.19 46.08 2eei s LEU 87 CO 0.06 -0.94 -0.21 -0.69 0.02 0.00 0.00 176.35 174.59 2eei s VAL 88 N -3.35 2.19 0.06 -1.59 1.01 -1.26 -2.54 120.40 114.92 2eei s VAL 88 Ca 0.30 -2.06 -0.31 0.00 0.00 0.00 0.00 61.98 59.92 2eei s VAL 88 Cb 0.03 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.28 2eei s VAL 88 CO 0.18 -0.23 1.49 -1.81 0.00 0.00 0.00 175.10 174.73 2eei s ASP 89 N -2.81 6.74 0.54 3.32 1.11 -1.26 -4.49 116.67 119.83 2eei s ASP 89 Ca 0.21 2.32 0.33 0.00 0.18 0.00 0.00 52.55 55.59 2eei s ASP 89 Cb -0.07 -2.57 1.50 0.00 1.07 0.00 0.00 42.92 42.86 2eei s ASP 89 CO 0.09 -0.77 1.86 0.07 1.18 0.00 0.00 175.17 177.61 2eei h LYS 90 N 7.69 0.00 -0.12 8.23 2.10 -1.86 0.17 116.57 132.77 2eei h LYS 90 Ca -0.41 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.12 2eei h LYS 90 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2eei h LYS 90 CO 0.90 0.00 -0.41 0.93 -2.00 0.00 0.00 179.45 178.88 2eei h GLU 91 N 0.00 0.49 0.30 0.07 5.08 -1.95 -3.33 114.58 115.24 2eei h GLU 91 Ca 0.46 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2eei h GLU 91 Cb 1.87 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2eei h GLU 91 CO -0.00 0.99 -0.14 1.15 -1.00 0.00 0.00 179.01 180.00 2eei h THR 92 N 0.09 0.74 -3.07 1.13 2.02 -1.10 -3.41 112.91 109.31 2eei h THR 92 Ca -0.02 -0.38 -0.57 0.00 0.77 0.00 0.00 66.41 66.21 2eei h THR 92 Cb 1.04 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 2eei h THR 92 CO 0.09 0.08 0.89 -0.62 0.37 0.00 0.00 175.52 176.33 2eei s ASP 93 N -5.00 6.90 0.08 4.18 2.15 -0.47 -5.02 116.67 119.49 2eei s ASP 93 Ca -0.15 1.40 0.02 0.00 0.43 0.00 0.00 52.55 54.25 2eei s ASP 93 Cb 0.03 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 2eei s ASP 93 CO 0.60 -0.85 0.15 -0.75 -0.17 0.00 0.00 175.17 174.14 2eei s LYS 94 N 3.65 3.14 -0.01 4.34 2.20 -1.26 -4.77 119.74 127.02 2eei s LYS 94 Ca 0.52 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 55.49 2eei s LYS 94 Cb -0.18 -2.86 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2eei s LYS 94 CO 0.15 0.57 0.38 0.00 -0.36 0.00 0.00 175.35 176.10 2eei h ARG 95 N 3.06 -0.13 -4.03 4.03 2.47 -1.95 -3.49 114.38 114.34 2eei h ARG 95 Ca -0.46 0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.10 2eei h ARG 95 Cb 1.17 0.03 0.09 0.00 -1.65 0.00 0.00 29.97 29.61 2eei h ARG 95 CO 0.70 -0.09 -0.42 1.58 0.56 0.00 0.00 179.97 182.30 2eei n HIS 96 N -2.94 -1.20 -3.78 3.04 -0.00 -1.26 -5.05 115.22 104.03 2eei n HIS 96 Ca -0.02 0.48 -0.20 0.00 0.46 0.00 0.00 57.72 58.45 2eei n HIS 96 Cb 0.05 -3.55 -0.17 0.00 -0.12 0.00 0.00 29.99 26.20 2eei n HIS 96 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2eei s VAL 97 N -3.19 0.12 0.14 3.57 -7.23 -1.26 -5.15 120.40 107.39 2eei s VAL 97 Ca 0.07 0.23 -0.08 0.00 -1.81 0.00 0.00 61.98 60.38 2eei s VAL 97 Cb -0.01 -0.29 -0.01 0.00 0.56 0.00 0.00 36.38 36.63 2eei s VAL 97 CO 0.39 0.19 0.24 -1.61 -0.31 0.00 0.00 175.10 173.99 2eei s GLU 98 N 1.69 1.04 0.14 4.82 2.02 -1.26 -5.17 118.70 121.98 2eei s GLU 98 Ca -0.00 -1.13 0.07 0.00 0.02 0.00 0.00 54.97 53.92 2eei s GLU 98 Cb -0.13 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 2eei s GLU 98 CO -0.03 -0.36 -0.03 -1.14 0.02 0.00 0.00 175.26 173.72 2eei s GLN 99 N -3.94 2.35 -0.59 1.61 2.00 -1.26 -5.08 119.66 114.74 2eei s GLN 99 Ca 0.14 -1.04 -0.24 0.00 -2.00 0.00 0.00 55.36 52.22 2eei s GLN 99 Cb 0.04 -2.37 0.05 0.00 0.80 0.00 0.00 33.01 31.53 2eei s GLN 99 CO -0.03 0.48 0.96 0.21 -0.50 0.00 0.00 175.29 176.41 2eei s LYS 100 N -2.63 3.25 0.61 1.67 2.47 -1.26 -5.03 119.74 118.82 2eei s LYS 100 Ca 0.25 -0.46 0.02 0.00 -1.56 0.00 0.00 55.97 54.22 2eei s LYS 100 Cb -0.10 -4.11 0.07 0.00 -1.46 0.00 0.00 37.83 32.22 2eei s LYS 100 CO 0.17 -1.61 0.85 0.45 0.16 0.00 0.00 175.35 175.36 2eei s SER 101 N 3.14 4.94 -0.02 1.43 0.15 -1.26 -5.13 113.70 116.96 2eei s SER 101 Ca 0.28 -0.24 -0.26 0.00 0.70 0.00 0.00 55.95 56.43 2eei s SER 101 Cb -0.14 -0.44 0.06 0.00 -1.71 0.00 0.00 66.02 63.79 2eei s SER 101 CO 0.16 -1.40 0.57 -0.83 1.20 0.00 0.00 173.24 172.93 2eei s GLY 102 N -4.56 -0.46 0.00 9.45 0.00 -1.26 -5.02 107.32 105.47 2eei s GLY 102 Ca 0.61 0.93 0.15 0.00 0.00 0.00 0.00 44.72 46.41 2eei s GLY 102 CO 0.40 0.62 1.40 -1.55 0.00 0.00 0.00 173.10 173.97 2eei n PRO 103 N 0.83 0.26 -3.76 2.90 -0.04 -1.26 -4.87 135.00 129.07 2eei n PRO 103 Ca -0.19 0.12 -0.25 0.00 -0.04 0.00 0.00 63.50 63.13 2eei n PRO 103 Cb 0.58 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.58 2eei n PRO 103 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2eei n SER 104 N -1.23 -3.64 -4.06 3.54 7.64 -1.26 -4.98 113.62 109.63 2eei n SER 104 Ca 0.08 -0.75 -0.27 0.00 1.01 0.00 0.00 58.87 58.94 2eei n SER 104 Cb 0.11 -4.21 -0.17 0.00 -1.01 0.00 0.00 64.21 58.93 2eei n SER 104 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eei s SER 105 N -3.74 2.20 0.00 6.43 0.15 -1.26 -5.36 113.70 112.12 2eei s SER 105 Ca 0.39 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.70 2eei s SER 105 Cb -0.19 -1.00 0.27 0.00 -1.71 0.00 0.00 66.02 63.39 2eei s SER 105 CO 0.80 0.04 0.74 0.61 1.20 0.00 0.00 173.24 176.63