#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ens s SER 2 N 0.00 6.91 0.33 1.61 0.15 -1.26 -5.06 113.70 116.38 2ens s SER 2 Ca 0.00 1.10 -0.07 0.00 0.70 0.00 0.00 55.95 57.68 2ens s SER 2 Cb 0.00 -2.40 -0.06 0.00 -1.71 0.00 0.00 66.02 61.85 2ens s SER 2 CO 0.00 -0.19 0.63 -0.94 1.20 0.00 0.00 173.24 173.94 2ens s SER 3 N 0.93 6.47 -0.09 5.45 1.04 -1.26 -5.08 113.70 121.16 2ens s SER 3 Ca 0.35 0.86 -0.33 0.00 0.48 0.00 0.00 55.95 57.31 2ens s SER 3 Cb -0.17 -2.20 0.15 0.00 0.10 0.00 0.00 66.02 63.89 2ens s SER 3 CO 0.15 -0.26 1.43 -0.83 0.98 0.00 0.00 173.24 174.71 2ens s GLY 4 N -3.14 -0.49 -0.14 7.32 0.00 -1.26 -5.07 107.32 104.54 2ens s GLY 4 Ca 0.46 0.93 -0.11 0.00 0.00 0.00 0.00 44.72 46.00 2ens s GLY 4 CO 0.30 0.37 0.11 1.76 0.00 0.00 0.00 173.10 175.65 2ens h SER 5 N 2.00 0.00 -6.06 1.64 0.02 -2.04 -3.48 113.55 105.62 2ens h SER 5 Ca -0.33 -0.25 -0.43 0.00 -0.84 0.00 0.00 61.79 59.94 2ens h SER 5 Cb 1.19 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.79 2ens h SER 5 CO 0.30 0.82 -0.74 -1.20 -1.14 0.00 0.00 176.83 174.87 2ens n SER 6 N -4.65 -4.75 0.00 3.07 7.64 -1.26 -4.90 113.62 108.77 2ens n SER 6 Ca -0.09 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.11 2ens n SER 6 Cb 0.27 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 2ens n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ens n GLY 7 N -1.75 4.10 3.58 0.23 0.00 -1.26 -5.18 105.19 104.90 2ens n GLY 7 Ca -0.04 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2ens n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ens s LEU 8 N 0.00 -0.55 -0.03 0.99 2.34 -1.26 -5.17 118.68 115.01 2ens s LEU 8 Ca 0.00 0.79 -0.01 0.00 0.06 0.00 0.00 54.13 54.97 2ens s LEU 8 Cb 0.00 2.19 0.03 0.00 -0.56 0.00 0.00 46.19 47.85 2ens s LEU 8 CO 0.00 -0.37 0.06 -1.83 -1.06 0.00 0.00 176.35 173.15 2ens s GLU 9 N -0.57 -0.02 0.12 1.48 1.03 -1.26 -5.05 118.70 114.43 2ens s GLU 9 Ca -0.03 0.26 -0.23 0.00 0.03 0.00 0.00 54.97 55.00 2ens s GLU 9 Cb -0.02 -0.28 -0.04 0.00 -0.80 0.00 0.00 34.13 32.99 2ens s GLU 9 CO 0.02 -0.20 1.67 0.93 -1.33 0.00 0.00 175.26 176.36 2ens h GLU 10 N 7.50 -0.18 -7.11 -4.83 4.39 -1.99 -3.42 114.58 108.94 2ens h GLU 10 Ca -0.39 0.01 -0.54 0.00 0.34 0.00 0.00 59.36 58.78 2ens h GLU 10 Cb 1.12 0.04 0.13 0.00 -0.10 0.00 0.00 28.75 29.95 2ens h GLU 10 CO 0.41 -0.12 0.47 0.14 -1.16 0.00 0.00 179.01 178.75 2ens s VAL 11 N -6.15 2.43 -0.73 3.13 -7.23 -1.26 -4.35 120.40 106.24 2ens s VAL 11 Ca -0.14 0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.33 2ens s VAL 11 Cb 0.10 -3.05 0.19 0.00 0.56 0.00 0.00 36.38 34.17 2ens s VAL 11 CO 0.67 -0.07 0.57 1.67 -0.31 0.00 0.00 175.10 177.64 2ens n GLN 12 N -1.87 2.05 -2.78 4.82 7.27 -1.13 -4.99 117.38 120.75 2ens n GLN 12 Ca 0.14 -4.52 -0.43 0.00 0.07 0.00 0.00 57.00 52.27 2ens n GLN 12 Cb 0.49 -2.30 -0.03 0.00 2.41 0.00 0.00 30.24 30.81 2ens n GLN 12 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2ens s LEU 13 N -1.60 4.39 -0.65 1.69 2.96 -1.26 -3.73 118.68 120.48 2ens s LEU 13 Ca 0.27 -1.65 -0.16 0.00 -0.22 0.00 0.00 54.13 52.37 2ens s LEU 13 Cb -0.02 -2.46 0.16 0.00 0.50 0.00 0.00 46.19 44.36 2ens s LEU 13 CO -0.14 -1.29 0.63 -0.69 -1.32 0.00 0.00 176.35 173.53 2ens s VAL 14 N 3.73 5.29 0.41 1.68 1.01 -0.45 -4.96 120.40 127.12 2ens s VAL 14 Ca 0.36 -1.78 -0.24 0.00 0.00 0.00 0.00 61.98 60.33 2ens s VAL 14 Cb -0.05 -4.41 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 2ens s VAL 14 CO -0.06 -0.97 1.06 -0.69 0.00 0.00 0.00 175.10 174.44 2ens s VAL 15 N 1.26 3.67 -0.26 2.92 1.01 -1.26 -3.03 120.40 124.70 2ens s VAL 15 Ca 0.10 1.26 -0.00 0.00 0.00 0.00 0.00 61.98 63.33 2ens s VAL 15 Cb -0.22 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 32.60 2ens s VAL 15 CO -0.01 -0.01 0.03 -1.61 0.00 0.00 0.00 175.10 173.50 2ens s GLU 16 N -2.57 1.07 0.81 2.72 0.41 -0.87 0.36 118.70 120.63 2ens s GLU 16 Ca 0.59 -0.98 -0.11 0.00 -0.41 0.00 0.00 54.97 54.06 2ens s GLU 16 Cb -0.22 -2.34 0.08 0.00 -1.78 0.00 0.00 34.13 29.87 2ens s GLU 16 CO 0.28 -0.78 1.09 -1.25 -0.49 0.00 0.00 175.26 174.11 2ens s PRO 17 N 1.53 1.97 0.34 0.39 0.04 -1.26 -2.20 135.00 135.80 2ens s PRO 17 Ca 0.02 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.21 2ens s PRO 17 Cb -0.18 -1.87 0.60 0.00 0.04 0.00 0.00 34.50 33.09 2ens s PRO 17 CO -0.13 -1.82 1.81 1.05 0.04 0.00 0.00 177.00 177.95 2ens h GLU 18 N -1.25 0.32 -0.90 4.56 4.11 -0.46 -2.96 114.58 117.99 2ens h GLU 18 Ca -0.45 -0.10 0.18 0.00 0.07 0.00 0.00 59.36 59.06 2ens h GLU 18 Cb 1.25 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.36 2ens h GLU 18 CO 0.52 0.52 0.48 0.78 0.07 0.00 0.00 179.01 181.38 2ens h GLY 19 N 0.94 1.54 -0.08 1.06 0.00 -1.98 -3.44 103.07 101.11 2ens h GLY 19 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2ens h GLY 19 CO 0.04 -0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.08 2ens n GLY 20 N -1.33 1.33 3.11 4.60 0.00 -1.12 -5.08 105.19 106.70 2ens n GLY 20 Ca 0.20 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2ens n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ens s ALA 21 N -2.08 -0.70 0.06 4.61 0.00 -1.26 -3.17 121.76 119.22 2ens s ALA 21 Ca 0.00 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 53.05 2ens s ALA 21 Cb 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2ens s ALA 21 CO 0.00 -0.30 0.08 0.14 0.00 0.00 0.00 175.76 175.68 2ens s VAL 22 N 1.51 0.18 0.92 0.00 -7.23 -1.14 -4.82 120.40 109.82 2ens s VAL 22 Ca -0.08 -1.45 -0.10 0.00 -1.81 0.00 0.00 61.98 58.54 2ens s VAL 22 Cb -0.10 -1.35 0.15 0.00 0.56 0.00 0.00 36.38 35.63 2ens s VAL 22 CO -0.10 -0.80 1.13 0.00 -0.31 0.00 0.00 175.10 175.02 2ens s ALA 23 N -3.71 1.36 -1.11 1.32 0.00 -1.26 -1.84 121.76 116.52 2ens s ALA 23 Ca 0.04 0.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.26 2ens s ALA 23 Cb 0.05 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 2ens s ALA 23 CO -0.10 -2.77 1.94 -1.25 0.00 0.00 0.00 175.76 173.58 2ens s PRO 24 N -4.66 2.51 0.00 0.00 0.04 -1.26 -2.57 135.00 129.06 2ens s PRO 24 Ca 0.66 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.77 2ens s PRO 24 Cb -0.22 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.12 2ens s PRO 24 CO 0.58 -3.83 0.00 0.41 0.04 0.00 0.00 177.00 174.20 2ens n GLY 25 N 6.08 0.73 0.00 0.56 0.00 0.55 -4.89 105.19 108.22 2ens n GLY 25 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2ens n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ens n GLY 26 N 0.00 1.91 2.75 -0.02 0.00 -1.06 -4.35 105.19 104.41 2ens n GLY 26 Ca 0.00 -2.01 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 2ens n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ens s THR 27 N 2.24 -0.16 -0.10 2.61 2.01 -1.26 0.81 115.64 121.79 2ens s THR 27 Ca 0.00 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.39 2ens s THR 27 Cb 0.00 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 2ens s THR 27 CO 0.00 0.16 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.29 2ens s VAL 28 N 2.11 3.33 -0.36 3.82 1.01 -1.18 -4.76 120.40 124.37 2ens s VAL 28 Ca 0.03 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2ens s VAL 28 Cb -0.12 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.93 2ens s VAL 28 CO -0.04 0.56 0.16 -0.89 0.00 0.00 0.00 175.10 174.88 2ens s THR 29 N -0.22 4.05 -0.72 3.92 2.01 -0.94 -0.81 115.64 122.93 2ens s THR 29 Ca 0.02 -1.13 -0.18 0.00 0.31 0.00 0.00 61.69 60.71 2ens s THR 29 Cb -0.13 -3.33 0.13 0.00 0.01 0.00 0.00 72.50 69.18 2ens s THR 29 CO 0.03 -0.26 0.83 -0.76 -0.69 0.00 0.00 174.62 173.77 2ens s LEU 30 N 1.44 5.52 0.00 4.42 1.43 0.83 -2.06 118.68 130.26 2ens s LEU 30 Ca 0.00 -1.80 -0.16 0.00 -1.03 0.00 0.00 54.13 51.14 2ens s LEU 30 Cb -0.20 -2.31 -0.06 0.00 0.03 0.00 0.00 46.19 43.65 2ens s LEU 30 CO 0.04 -1.02 0.46 -0.89 0.23 0.00 0.00 176.35 175.16 2ens s THR 31 N 2.28 4.97 -0.22 5.49 2.01 -1.17 -1.96 115.64 127.05 2ens s THR 31 Ca 0.18 0.95 -0.08 0.00 0.31 0.00 0.00 61.69 63.05 2ens s THR 31 Cb -0.16 -3.77 0.09 0.00 0.01 0.00 0.00 72.50 68.67 2ens s THR 31 CO -0.00 0.54 0.47 0.00 -0.69 0.00 0.00 174.62 174.94 2ens s GLU 33 N 2.51 0.30 -0.02 0.00 2.02 -1.24 -4.41 118.70 117.86 2ens s GLU 33 Ca -0.04 -0.40 -0.15 0.00 0.02 0.00 0.00 54.97 54.41 2ens s GLU 33 Cb -0.11 0.12 -0.05 0.00 0.10 0.00 0.00 34.13 34.18 2ens s GLU 33 CO -0.14 -0.06 0.40 0.08 0.02 0.00 0.00 175.26 175.56 2ens s VAL 34 N -1.09 5.06 0.07 2.63 1.01 -1.26 -2.81 120.40 124.01 2ens s VAL 34 Ca -0.12 0.82 -0.18 0.00 0.00 0.00 0.00 61.98 62.51 2ens s VAL 34 Cb -0.07 -3.71 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 2ens s VAL 34 CO -0.00 0.55 1.38 1.55 0.00 0.00 0.00 175.10 178.58 2ens h PRO 35 N 4.96 0.52 -0.33 2.72 0.13 -1.98 -3.26 132.00 134.77 2ens h PRO 35 Ca -0.50 -0.28 -0.17 0.00 -0.87 0.00 0.00 66.00 64.18 2ens h PRO 35 Cb 1.21 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ens h PRO 35 CO 0.63 0.86 -0.45 0.00 -0.23 0.00 0.00 178.00 178.81 2ens h ALA 36 N 0.66 0.50 -3.17 -0.56 0.00 -1.94 -3.42 119.26 111.32 2ens h ALA 36 Ca 0.03 -0.48 -0.62 0.00 0.00 0.00 0.00 54.91 53.85 2ens h ALA 36 Cb 0.76 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.31 2ens h ALA 36 CO 0.05 0.65 -0.52 -0.65 0.00 0.00 0.00 179.25 178.79 2ens s GLN 37 N -4.26 4.06 -0.02 0.00 1.11 -1.23 -5.01 119.66 114.32 2ens s GLN 37 Ca -0.11 -0.28 -0.24 0.00 0.01 0.00 0.00 55.36 54.73 2ens s GLN 37 Cb 0.10 -3.43 -0.18 0.00 -1.01 0.00 0.00 33.01 28.49 2ens s GLN 37 CO 0.88 0.15 1.16 -1.00 0.01 0.00 0.00 175.29 176.50 2ens h PRO 38 N 7.17 -0.15 -2.06 2.91 0.13 -1.83 -3.35 132.00 134.81 2ens h PRO 38 Ca -0.39 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.22 2ens h PRO 38 Cb 1.16 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 2ens h PRO 38 CO 0.69 0.27 -1.03 -1.13 -0.23 0.00 0.00 178.00 176.57 2ens n SER 39 N -4.94 1.49 -2.58 1.44 3.41 -1.26 -4.84 113.62 106.33 2ens n SER 39 Ca -0.09 -3.07 -0.02 0.00 -0.26 0.00 0.00 58.87 55.44 2ens n SER 39 Cb 0.26 -0.62 0.02 0.00 -0.26 0.00 0.00 64.21 63.60 2ens n SER 39 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ens n PRO 40 N 0.56 -1.16 -3.03 4.33 -0.04 -1.26 -4.95 135.00 129.45 2ens n PRO 40 Ca 0.25 -0.11 -0.44 0.00 -0.04 0.00 0.00 63.50 63.16 2ens n PRO 40 Cb 0.56 -0.11 -0.03 0.00 -0.04 0.00 0.00 33.50 33.88 2ens n PRO 40 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2ens s GLN 41 N -3.16 3.32 -0.08 0.54 1.11 -1.25 -5.00 119.66 115.13 2ens s GLN 41 Ca 0.05 -1.52 -0.24 0.00 0.01 0.00 0.00 55.36 53.65 2ens s GLN 41 Cb -0.00 -4.50 -0.03 0.00 -1.01 0.00 0.00 33.01 27.46 2ens s GLN 41 CO 0.04 -1.64 0.73 0.42 0.01 0.00 0.00 175.29 174.84 2ens s ILE 42 N 2.63 5.02 0.20 1.08 -1.09 -1.25 -3.59 121.20 124.20 2ens s ILE 42 Ca 0.21 1.48 0.06 0.00 -2.23 0.00 0.00 60.65 60.18 2ens s ILE 42 Cb -0.14 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.63 2ens s ILE 42 CO -0.00 0.21 -0.10 -1.00 -1.23 0.00 0.00 174.94 172.82 2ens s HIS 43 N 1.03 1.60 -0.12 3.97 3.76 -0.88 -3.26 115.29 121.39 2ens s HIS 43 Ca 0.38 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 2ens s HIS 43 Cb -0.18 -0.82 0.02 0.00 1.11 0.00 0.00 32.58 32.71 2ens s HIS 43 CO 0.18 0.21 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.56 2ens s TRP 44 N -3.14 1.94 0.18 1.40 0.52 -1.26 -2.26 118.94 116.32 2ens s TRP 44 Ca 0.23 -0.97 0.08 0.00 0.02 0.00 0.00 56.10 55.46 2ens s TRP 44 Cb 0.02 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.87 2ens s TRP 44 CO 0.06 -0.52 -0.02 -1.64 0.02 0.00 0.00 176.95 174.85 2ens s MET 45 N 1.19 2.32 -0.25 4.98 -1.94 -1.10 -3.50 119.30 121.01 2ens s MET 45 Ca -0.02 -1.17 -0.03 0.00 -1.71 0.00 0.00 55.69 52.76 2ens s MET 45 Cb -0.14 -2.30 0.08 0.00 2.01 0.00 0.00 34.83 34.48 2ens s MET 45 CO -0.05 0.44 0.07 0.21 -0.01 0.00 0.00 175.02 175.69 2ens s LYS 46 N -3.00 0.56 -1.89 2.03 2.20 0.37 -3.57 119.74 116.43 2ens s LYS 46 Ca 0.27 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2ens s LYS 46 Cb -0.09 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 2ens s LYS 46 CO 0.18 -0.82 0.00 -3.47 -0.36 0.00 0.00 175.35 170.88 2ens n ASP 47 N 5.04 -5.57 0.00 1.43 2.03 -1.23 -1.71 116.55 116.54 2ens n ASP 47 Ca -0.06 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.46 2ens n ASP 47 Cb 0.45 -4.70 0.00 0.00 -0.72 0.00 0.00 41.12 36.15 2ens n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ens n GLY 48 N -0.80 2.72 3.71 0.27 0.00 -1.26 -5.04 105.19 104.79 2ens n GLY 48 Ca -0.22 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 2ens n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ens s VAL 49 N -1.72 5.28 0.84 1.61 0.11 -0.69 -5.02 120.40 120.80 2ens s VAL 49 Ca 0.00 0.60 -0.11 0.00 -2.93 0.00 0.00 61.98 59.54 2ens s VAL 49 Cb 0.00 -3.66 0.10 0.00 -1.53 0.00 0.00 36.38 31.28 2ens s VAL 49 CO 0.00 0.36 1.09 -2.16 -3.33 0.00 0.00 175.10 171.06 2ens s PRO 50 N 0.66 1.72 0.09 1.54 0.04 -1.26 -0.48 135.00 137.31 2ens s PRO 50 Ca 0.17 0.99 0.07 0.00 0.04 0.00 0.00 61.00 62.27 2ens s PRO 50 Cb -0.13 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2ens s PRO 50 CO 0.05 -1.96 -0.13 -0.51 0.04 0.00 0.00 177.00 174.49 2ens s LEU 51 N -6.08 2.91 -1.10 -3.56 1.43 -1.23 -4.81 118.68 106.23 2ens s LEU 51 Ca 0.62 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 53.07 2ens s LEU 51 Cb -0.18 -1.72 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 2ens s LEU 51 CO 0.56 0.20 1.94 -2.16 0.23 0.00 0.00 176.35 177.12 2ens s PRO 52 N -2.03 2.51 0.06 1.29 0.04 -1.26 -4.86 135.00 130.74 2ens s PRO 52 Ca 0.19 -0.90 -0.19 0.00 0.04 0.00 0.00 61.00 60.14 2ens s PRO 52 Cb -0.11 -5.19 0.04 0.00 0.04 0.00 0.00 34.50 29.29 2ens s PRO 52 CO 0.11 -3.80 0.45 -0.51 0.04 0.00 0.00 177.00 173.29 2ens s LEU 53 N 10.75 0.21 0.26 -3.56 1.43 -1.26 -5.15 118.68 121.37 2ens s LEU 53 Ca 0.69 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.52 2ens s LEU 53 Cb -0.03 1.91 -0.09 0.00 0.03 0.00 0.00 46.19 48.01 2ens s LEU 53 CO 0.09 -0.71 1.26 -2.16 0.23 0.00 0.00 176.35 175.05 2ens s PRO 54 N -2.66 4.44 0.09 1.29 0.04 -1.26 -4.98 135.00 131.96 2ens s PRO 54 Ca -0.04 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 2ens s PRO 54 Cb -0.00 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 2ens s PRO 54 CO -0.04 -0.12 1.38 -1.25 0.04 0.00 0.00 177.00 177.01 2ens s PRO 55 N -1.01 4.32 -0.15 0.56 0.04 -1.26 -5.00 135.00 132.50 2ens s PRO 55 Ca 0.51 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 2ens s PRO 55 Cb -0.37 -3.31 0.08 0.00 0.04 0.00 0.00 34.50 30.94 2ens s PRO 55 CO 0.44 -0.44 0.77 0.45 0.04 0.00 0.00 177.00 178.25 2ens s SER 56 N 1.24 -0.63 0.00 6.66 0.15 -1.20 -4.86 113.70 115.06 2ens s SER 56 Ca 0.64 0.91 0.10 0.00 0.70 0.00 0.00 55.95 58.30 2ens s SER 56 Cb -0.35 0.82 0.59 0.00 -1.71 0.00 0.00 66.02 65.37 2ens s SER 56 CO 0.30 -0.42 1.03 -0.81 1.20 0.00 0.00 173.24 174.53 2ens n PRO 57 N 1.54 0.49 -3.54 5.44 -0.04 -1.26 -4.35 135.00 133.28 2ens n PRO 57 Ca -0.16 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.05 2ens n PRO 57 Cb 0.56 -1.32 -0.15 0.00 -0.04 0.00 0.00 33.50 32.56 2ens n PRO 57 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ens s VAL 58 N -2.00 -0.16 -0.26 0.52 1.01 -1.26 -0.79 120.40 117.46 2ens s VAL 58 Ca 0.15 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 2ens s VAL 58 Cb 0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 2ens s VAL 58 CO 0.11 -0.46 0.03 -0.22 0.00 0.00 0.00 175.10 174.57 2ens s LEU 59 N 2.18 3.40 -0.24 3.92 2.96 -0.83 -4.96 118.68 125.11 2ens s LEU 59 Ca 0.06 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 2ens s LEU 59 Cb -0.16 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2ens s LEU 59 CO -0.23 -0.09 0.10 -0.63 -1.32 0.00 0.00 176.35 174.18 2ens s ILE 60 N 1.52 4.64 -0.95 6.68 1.09 -1.26 -0.12 121.20 132.80 2ens s ILE 60 Ca 0.05 -0.06 -0.03 0.00 -1.10 0.00 0.00 60.65 59.51 2ens s ILE 60 Cb -0.16 -3.17 0.25 0.00 -1.06 0.00 0.00 42.46 38.33 2ens s ILE 60 CO 0.01 0.34 0.97 -0.11 -0.10 0.00 0.00 174.94 176.05 2ens n LEU 61 N 4.70 4.81 -4.77 2.97 7.94 0.01 -4.96 117.00 127.70 2ens n LEU 61 Ca -0.16 -5.16 -0.36 0.00 -1.11 0.00 0.00 56.01 49.22 2ens n LEU 61 Cb 0.52 -1.16 -0.01 0.00 0.53 0.00 0.00 43.42 43.30 2ens n LEU 61 CO 0.32 1.60 0.81 -2.16 -1.11 0.00 0.00 177.39 176.85 2ens s PRO 62 N -1.73 3.62 -1.08 1.96 0.04 -1.26 -3.09 135.00 133.46 2ens s PRO 62 Ca 0.30 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 2ens s PRO 62 Cb -0.03 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2ens s PRO 62 CO -0.07 -0.65 0.92 0.39 0.04 0.00 0.00 177.00 177.63 2ens n GLU 63 N -0.77 -4.27 -2.33 4.56 4.71 0.24 -4.93 120.64 117.85 2ens n GLU 63 Ca 0.09 0.82 -0.36 0.00 -0.01 0.00 0.00 57.16 57.70 2ens n GLU 63 Cb 0.49 -5.69 -0.01 0.00 -1.01 0.00 0.00 31.44 25.22 2ens n GLU 63 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2ens s ILE 64 N -3.36 3.28 0.00 -3.67 1.01 0.04 -4.75 121.20 113.75 2ens s ILE 64 Ca 0.22 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.78 2ens s ILE 64 Cb -0.03 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2ens s ILE 64 CO 0.70 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.20 2ens n GLY 65 N 0.31 4.72 0.19 6.18 0.00 -1.26 0.20 105.19 115.53 2ens n GLY 65 Ca 0.08 -1.21 -0.03 0.00 0.00 0.00 0.00 46.02 44.86 2ens n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ens h PRO 66 N 0.00 0.26 -0.09 1.61 0.13 -1.96 -3.08 132.00 128.87 2ens h PRO 66 Ca 0.00 -0.14 -0.18 0.00 -0.87 0.00 0.00 66.00 64.81 2ens h PRO 66 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ens h PRO 66 CO 0.00 0.67 -0.71 -0.56 -0.23 0.00 0.00 178.00 177.16 2ens h GLN 67 N 0.21 0.44 -0.89 0.86 3.07 -2.00 -3.16 115.11 113.65 2ens h GLN 67 Ca 0.01 -0.35 0.02 0.00 0.09 0.00 0.00 58.65 58.42 2ens h GLN 67 Cb 0.89 0.07 -0.05 0.00 0.08 0.00 0.00 27.48 28.47 2ens h GLN 67 CO 0.07 0.98 0.59 -0.44 0.09 0.00 0.00 178.83 180.12 2ens h ASP 68 N 0.31 1.00 -1.27 0.06 5.19 -1.93 -3.43 116.42 116.33 2ens h ASP 68 Ca -0.03 -0.02 -0.70 0.00 -0.62 0.00 0.00 57.03 55.66 2ens h ASP 68 Cb 1.29 -0.24 0.09 0.00 0.18 0.00 0.00 39.33 40.64 2ens h ASP 68 CO 0.12 0.71 -0.15 0.00 -3.12 0.00 0.00 179.24 176.80 2ens n GLN 69 N -4.41 0.31 -3.50 3.56 6.02 -1.20 -4.86 117.38 113.31 2ens n GLN 69 Ca 0.11 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2ens n GLN 69 Cb 0.04 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2ens n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ens n GLY 70 N 1.81 -2.01 3.79 1.08 0.00 -1.06 -4.96 105.19 103.84 2ens n GLY 70 Ca 0.18 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 2ens n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ens s THR 71 N -2.20 4.64 -0.02 2.61 -4.23 -1.26 -0.86 115.64 114.31 2ens s THR 71 Ca 0.00 1.38 0.02 0.00 -1.18 0.00 0.00 61.69 61.91 2ens s THR 71 Cb 0.00 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.86 2ens s THR 71 CO 0.00 0.53 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.22 2ens s TYR 72 N -1.02 0.86 0.05 3.99 1.51 -0.62 -3.50 117.35 118.62 2ens s TYR 72 Ca 0.31 -0.20 -0.06 0.00 -1.01 0.00 0.00 57.07 56.11 2ens s TYR 72 Cb -0.20 -0.61 -0.01 0.00 -0.11 0.00 0.00 41.96 41.02 2ens s TYR 72 CO 0.21 -0.08 0.12 0.45 -1.11 0.00 0.00 175.55 175.13 2ens s SER 73 N 0.17 0.18 -0.10 2.29 0.15 -1.23 -1.85 113.70 113.30 2ens s SER 73 Ca -0.02 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.05 2ens s SER 73 Cb -0.08 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.49 2ens s SER 73 CO 0.00 -0.58 -0.19 0.00 1.20 0.00 0.00 173.24 173.66 2ens s VAL 75 N 0.20 4.56 -0.40 0.00 1.01 -0.96 -1.38 120.40 123.42 2ens s VAL 75 Ca -0.12 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2ens s VAL 75 Cb -0.16 -2.95 0.43 0.00 0.00 0.00 0.00 36.38 33.70 2ens s VAL 75 CO 0.06 0.57 1.09 0.00 0.00 0.00 0.00 175.10 176.83 2ens n ALA 76 N 1.98 4.74 -0.68 5.51 0.00 -1.25 -2.07 120.51 128.75 2ens n ALA 76 Ca -0.18 -4.04 -0.29 0.00 0.00 0.00 0.00 53.44 48.92 2ens n ALA 76 Cb 0.54 -0.59 0.22 0.00 0.00 0.00 0.00 19.45 19.62 2ens n ALA 76 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2ens s THR 77 N -5.01 2.10 0.10 0.00 -1.32 -1.24 -3.89 115.64 106.38 2ens s THR 77 Ca 0.44 0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.85 2ens s THR 77 Cb 0.41 -2.14 0.04 0.00 -1.51 0.00 0.00 72.50 69.29 2ens s THR 77 CO -0.13 -0.04 0.51 0.00 -2.21 0.00 0.00 174.62 172.76 2ens n HIS 78 N -4.63 -1.03 -0.36 9.09 1.44 -1.26 -3.77 115.22 114.69 2ens n HIS 78 Ca 0.06 -0.67 0.03 0.00 -2.01 0.00 0.00 57.72 55.13 2ens n HIS 78 Cb 0.54 0.33 0.10 0.00 0.12 0.00 0.00 29.99 31.08 2ens n HIS 78 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2ens h SER 79 N 1.00 -1.07 -0.12 4.39 0.87 -1.98 1.68 113.55 118.31 2ens h SER 79 Ca -0.14 0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 2ens h SER 79 Cb 0.61 0.65 -0.04 0.00 -0.44 0.00 0.00 62.40 63.18 2ens h SER 79 CO 0.19 -0.31 0.08 -1.20 -0.53 0.00 0.00 176.83 175.06 2ens n SER 80 N -5.57 3.45 -3.56 6.23 7.64 -1.26 -4.84 113.62 115.71 2ens n SER 80 Ca 0.14 -2.25 -0.17 0.00 1.01 0.00 0.00 58.87 57.60 2ens n SER 80 Cb 0.46 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.02 2ens n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ens n HIS 81 N 0.43 -0.59 -3.04 1.43 -0.00 0.57 -4.80 115.22 109.21 2ens n HIS 81 Ca 0.07 0.18 -0.34 0.00 -0.00 0.00 0.00 57.72 57.63 2ens n HIS 81 Cb 0.63 -1.27 -0.03 0.00 -0.00 0.00 0.00 29.99 29.32 2ens n HIS 81 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ens n GLY 82 N -1.63 5.36 3.63 -1.39 0.00 -1.26 -4.82 105.19 105.09 2ens n GLY 82 Ca -0.11 -2.71 -0.43 0.00 0.00 0.00 0.00 46.02 42.77 2ens n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ens s PRO 83 N -3.16 3.81 -0.07 1.61 0.04 -1.25 -4.30 135.00 131.67 2ens s PRO 83 Ca 0.39 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 63.10 2ens s PRO 83 Cb 0.16 -4.03 0.05 0.00 0.04 0.00 0.00 34.50 30.72 2ens s PRO 83 CO -0.03 -1.28 1.95 0.94 0.04 0.00 0.00 177.00 178.62 2ens n GLN 84 N 7.64 1.18 -0.83 4.56 -0.06 -1.25 -4.70 117.38 123.91 2ens n GLN 84 Ca 0.19 -0.35 -0.38 0.00 -2.00 0.00 0.00 57.00 54.45 2ens n GLN 84 Cb 0.45 -1.14 -0.08 0.00 -4.06 0.00 0.00 30.24 25.41 2ens n GLN 84 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2ens n GLU 85 N 1.18 0.00 -1.10 3.69 2.13 -1.25 -4.65 120.64 120.65 2ens n GLU 85 Ca 0.07 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.59 2ens n GLU 85 Cb 0.52 -0.98 0.24 0.00 0.27 0.00 0.00 31.44 31.49 2ens n GLU 85 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2ens s SER 86 N 4.10 0.97 1.20 4.31 1.04 -0.48 -4.96 113.70 119.88 2ens s SER 86 Ca 0.80 0.62 -0.14 0.00 0.48 0.00 0.00 55.95 57.70 2ens s SER 86 Cb -0.97 -0.86 0.29 0.00 0.10 0.00 0.00 66.02 64.58 2ens s SER 86 CO 0.42 -4.09 1.02 -0.13 0.98 0.00 0.00 173.24 171.44 2ens s ARG 87 N -5.42 -1.18 -0.33 4.02 1.81 -1.26 -4.62 118.95 111.97 2ens s ARG 87 Ca 0.71 0.63 -0.12 0.00 -1.72 0.00 0.00 55.73 55.23 2ens s ARG 87 Cb -0.10 -1.54 -0.01 0.00 -0.45 0.00 0.00 34.95 32.85 2ens s ARG 87 CO 0.56 -3.84 0.22 0.00 -0.68 0.00 0.00 175.30 171.55 2ens s ALA 88 N -2.51 3.44 -0.32 2.13 0.00 -1.26 -4.48 121.76 118.76 2ens s ALA 88 Ca 0.68 -1.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 2ens s ALA 88 Cb -0.22 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 2ens s ALA 88 CO 0.63 -0.97 0.25 0.54 0.00 0.00 0.00 175.76 176.21 2ens s VAL 89 N 1.69 5.27 -0.54 0.00 0.11 -0.77 -4.84 120.40 121.31 2ens s VAL 89 Ca 0.06 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 58.87 2ens s VAL 89 Cb -0.17 -3.67 0.04 0.00 -1.53 0.00 0.00 36.38 31.05 2ens s VAL 89 CO 0.09 0.07 0.94 -0.94 -3.33 0.00 0.00 175.10 171.94 2ens s SER 90 N 1.73 6.36 0.02 3.54 1.04 -1.26 -1.60 113.70 123.54 2ens s SER 90 Ca 0.08 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 55.91 2ens s SER 90 Cb -0.17 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2ens s SER 90 CO 0.11 -1.21 0.98 -0.63 0.98 0.00 0.00 173.24 173.47 2ens s ILE 91 N 3.93 4.77 0.08 -1.02 -1.09 -0.04 -4.90 121.20 122.93 2ens s ILE 91 Ca 0.31 2.04 0.02 0.00 -2.23 0.00 0.00 60.65 60.79 2ens s ILE 91 Cb -0.12 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2ens s ILE 91 CO 0.20 0.19 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.59 2ens s SER 92 N 0.82 1.05 0.10 3.58 0.01 -1.19 -2.57 113.70 115.50 2ens s SER 92 Ca 0.51 -0.88 -0.13 0.00 1.31 0.00 0.00 55.95 56.76 2ens s SER 92 Cb -0.22 0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.03 2ens s SER 92 CO 0.28 -0.40 0.48 -0.63 0.41 0.00 0.00 173.24 173.39 2ens s ILE 93 N -3.02 4.96 0.26 1.44 1.01 -1.26 -2.89 121.20 121.69 2ens s ILE 93 Ca 0.06 0.72 -0.19 0.00 0.00 0.00 0.00 60.65 61.24 2ens s ILE 93 Cb 0.01 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 2ens s ILE 93 CO -0.03 0.32 0.74 -0.63 0.00 0.00 0.00 174.94 175.34 2ens s ILE 94 N -1.37 4.58 -0.14 2.92 1.01 -0.77 -4.88 121.20 122.55 2ens s ILE 94 Ca 0.34 1.22 -0.23 0.00 0.00 0.00 0.00 60.65 61.97 2ens s ILE 94 Cb -0.15 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2ens s ILE 94 CO 0.18 0.09 0.72 -1.83 0.00 0.00 0.00 174.94 174.10 2ens s GLU 95 N -2.26 4.32 0.00 2.79 -1.05 -1.26 -4.58 118.70 116.65 2ens s GLU 95 Ca 0.46 0.84 0.16 0.00 -0.15 0.00 0.00 54.97 56.28 2ens s GLU 95 Cb -0.15 -3.53 0.93 0.00 -0.44 0.00 0.00 34.13 30.94 2ens s GLU 95 CO 0.20 -0.16 1.34 -0.35 0.95 0.00 0.00 175.26 177.24