#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 -0.37 0.00 1.61 0.15 -1.26 -5.08 113.70 108.76 2ens s SER 2 Ca 0.00 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2ens s SER 2 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2ens s SER 2 CO 0.00 -0.44 0.00 -1.20 1.20 0.00 0.00 173.24 172.80 2ens n SER 3 N 0.37 0.65 0.00 5.45 7.64 -1.26 -5.15 113.62 121.32 2ens n SER 3 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2ens n SER 3 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2ens n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ens n GLY 4 N 2.18 3.92 2.91 0.23 0.00 -1.26 -5.11 105.19 108.06 2ens n GLY 4 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2ens n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ens s SER 5 N 1.89 4.29 -0.34 1.61 1.04 -1.26 -5.04 113.70 115.89 2ens s SER 5 Ca 0.00 -2.64 0.00 0.00 0.48 0.00 0.00 55.95 53.79 2ens s SER 5 Cb 0.00 -1.48 0.11 0.00 0.10 0.00 0.00 66.02 64.75 2ens s SER 5 CO 0.00 -0.29 0.13 -0.44 0.98 0.00 0.00 173.24 173.62 2ens s SER 6 N 0.24 3.98 -0.80 7.02 0.01 -1.26 -5.06 113.70 117.84 2ens s SER 6 Ca 0.15 -1.92 -0.03 0.00 1.31 0.00 0.00 55.95 55.46 2ens s SER 6 Cb -0.23 -0.96 0.20 0.00 0.21 0.00 0.00 66.02 65.24 2ens s SER 6 CO -0.04 -0.38 0.66 -0.83 0.41 0.00 0.00 173.24 173.07 2ens s GLY 7 N 1.26 2.84 0.02 3.44 0.00 -1.26 -5.03 107.32 108.58 2ens s GLY 7 Ca 0.12 -3.60 -0.04 0.00 0.00 0.00 0.00 44.72 41.20 2ens s GLY 7 CO -0.17 1.17 0.07 1.08 0.00 0.00 0.00 173.10 175.24 2ens s LEU 8 N -0.77 1.87 -0.72 0.66 1.02 -1.26 -5.11 118.68 114.37 2ens s LEU 8 Ca 0.23 -0.39 0.03 0.00 0.02 0.00 0.00 54.13 54.02 2ens s LEU 8 Cb -0.12 0.45 0.17 0.00 0.02 0.00 0.00 46.19 46.71 2ens s LEU 8 CO -0.09 -0.38 0.52 -1.83 0.02 0.00 0.00 176.35 174.60 2ens s GLU 9 N -1.70 2.57 -0.24 1.70 -1.05 -1.26 -4.87 118.70 113.85 2ens s GLU 9 Ca -0.13 -3.23 -0.15 0.00 -0.15 0.00 0.00 54.97 51.30 2ens s GLU 9 Cb -0.07 -3.53 -0.10 0.00 -0.44 0.00 0.00 34.13 29.99 2ens s GLU 9 CO -0.01 -1.26 -0.34 -1.91 0.95 0.00 0.00 175.26 172.70 2ens n GLU 10 N 2.21 0.57 -2.98 -4.83 4.07 -1.26 -4.97 120.64 113.45 2ens n GLU 10 Ca 0.18 0.26 -0.38 0.00 -0.06 0.00 0.00 57.16 57.16 2ens n GLU 10 Cb 0.35 -1.48 -0.06 0.00 -0.06 0.00 0.00 31.44 30.19 2ens n GLU 10 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ens s VAL 11 N -2.63 4.39 -0.08 6.31 1.01 -1.26 -4.97 120.40 123.16 2ens s VAL 11 Ca -0.35 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.29 2ens s VAL 11 Cb 0.11 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2ens s VAL 11 CO 0.47 0.40 -0.19 -1.58 0.00 0.00 0.00 175.10 174.19 2ens s GLN 12 N -1.47 2.49 0.08 2.72 2.00 -1.26 -4.94 119.66 119.29 2ens s GLN 12 Ca 0.39 -0.70 0.10 0.00 -2.00 0.00 0.00 55.36 53.15 2ens s GLN 12 Cb -0.21 -1.94 -0.03 0.00 0.80 0.00 0.00 33.01 31.62 2ens s GLN 12 CO 0.25 0.13 -0.26 -1.17 -0.50 0.00 0.00 175.29 173.74 2ens s LEU 13 N 0.43 2.24 -0.23 3.68 2.96 -1.26 -4.04 118.68 122.45 2ens s LEU 13 Ca -0.16 -0.66 -0.04 0.00 -0.22 0.00 0.00 54.13 53.04 2ens s LEU 13 Cb -0.17 -1.21 0.08 0.00 0.50 0.00 0.00 46.19 45.40 2ens s LEU 13 CO 0.07 0.20 0.11 -0.69 -1.32 0.00 0.00 176.35 174.72 2ens s VAL 14 N -0.94 -0.02 0.34 1.68 1.01 0.12 -5.01 120.40 117.59 2ens s VAL 14 Ca 0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2ens s VAL 14 Cb -0.10 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2ens s VAL 14 CO 0.04 -0.50 0.58 0.68 0.00 0.00 0.00 175.10 175.90 2ens s VAL 15 N 2.09 5.04 -0.21 2.92 -7.23 -1.26 -0.60 120.40 121.15 2ens s VAL 15 Ca 0.05 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.07 2ens s VAL 15 Cb -0.16 -3.81 0.05 0.00 0.56 0.00 0.00 36.38 33.02 2ens s VAL 15 CO -0.22 -0.51 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.30 2ens s GLU 16 N -4.06 1.62 1.03 4.82 -6.30 -0.31 -1.12 118.70 114.37 2ens s GLU 16 Ca 0.43 -0.84 -0.13 0.00 -2.50 0.00 0.00 54.97 51.93 2ens s GLU 16 Cb -0.10 -2.42 0.20 0.00 0.00 0.00 0.00 34.13 31.81 2ens s GLU 16 CO 0.35 -0.53 1.09 -1.25 0.02 0.00 0.00 175.26 174.94 2ens s PRO 17 N 1.47 0.20 0.18 4.30 0.04 -1.26 -2.22 135.00 137.70 2ens s PRO 17 Ca -0.03 0.45 -0.13 0.00 0.04 0.00 0.00 61.00 61.32 2ens s PRO 17 Cb -0.18 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 32.74 2ens s PRO 17 CO -0.07 -2.87 1.82 1.49 0.04 0.00 0.00 177.00 177.42 2ens h GLU 18 N -1.99 0.64 -0.68 4.56 4.81 -1.51 -2.71 114.58 117.70 2ens h GLU 18 Ca -0.55 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 58.79 2ens h GLU 18 Cb 1.33 -0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.46 2ens h GLU 18 CO 0.56 0.42 0.07 0.78 -0.73 0.00 0.00 179.01 180.12 2ens h GLY 19 N 0.66 0.82 0.00 1.92 0.00 -1.98 -3.42 103.07 101.08 2ens h GLY 19 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2ens h GLY 19 CO -0.08 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 176.86 2ens n GLY 20 N -1.37 1.85 3.08 4.60 0.00 -1.02 -4.95 105.19 107.38 2ens n GLY 20 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 -0.28 0.05 4.61 0.00 -1.26 -3.23 121.76 119.65 2ens s ALA 21 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 2ens s ALA 21 Cb 0.00 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.23 2ens s ALA 21 CO 0.00 -0.18 0.51 0.14 0.00 0.00 0.00 175.76 176.23 2ens s VAL 22 N -1.16 0.03 1.00 0.00 -7.23 -0.96 -4.50 120.40 107.57 2ens s VAL 22 Ca -0.13 -0.27 -0.11 0.00 -1.81 0.00 0.00 61.98 59.67 2ens s VAL 22 Cb -0.07 -0.98 0.19 0.00 0.56 0.00 0.00 36.38 36.09 2ens s VAL 22 CO 0.01 -0.15 1.11 0.00 -0.31 0.00 0.00 175.10 175.76 2ens s ALA 23 N -2.50 0.83 -1.05 1.32 0.00 -1.26 -1.83 121.76 117.28 2ens s ALA 23 Ca -0.05 0.38 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 2ens s ALA 23 Cb -0.01 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 2ens s ALA 23 CO -0.02 -3.13 1.94 -1.25 0.00 0.00 0.00 175.76 173.30 2ens s PRO 24 N -4.58 2.51 0.00 0.00 0.04 -1.26 -2.48 135.00 129.23 2ens s PRO 24 Ca 0.67 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.98 2ens s PRO 24 Cb -0.24 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.15 2ens s PRO 24 CO 0.60 -3.70 0.00 0.41 0.04 0.00 0.00 177.00 174.35 2ens n GLY 25 N 6.32 0.95 0.00 0.56 0.00 0.35 -4.90 105.19 108.47 2ens n GLY 25 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 1.66 2.79 -0.02 0.00 -1.04 -4.51 105.19 104.08 2ens n GLY 26 Ca 0.00 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 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 2.15 -0.26 -0.12 2.61 2.01 -1.26 -1.03 115.64 119.73 2ens s THR 27 Ca 0.00 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 2ens s THR 27 Cb 0.00 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2ens s THR 27 CO 0.00 -0.00 0.11 -0.69 -0.69 0.00 0.00 174.62 173.35 2ens s VAL 28 N 2.29 5.23 -0.29 3.82 1.01 -1.20 -4.78 120.40 126.46 2ens s VAL 28 Ca 0.04 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2ens s VAL 28 Cb -0.14 -3.28 0.07 0.00 0.00 0.00 0.00 36.38 33.04 2ens s VAL 28 CO -0.08 0.59 -0.04 -0.89 0.00 0.00 0.00 175.10 174.68 2ens s THR 29 N -0.79 2.32 -0.42 3.92 2.01 -0.94 -0.52 115.64 121.22 2ens s THR 29 Ca 0.13 -1.84 -0.22 0.00 0.31 0.00 0.00 61.69 60.07 2ens s THR 29 Cb -0.12 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 69.93 2ens s THR 29 CO 0.03 -0.23 0.73 -0.76 -0.69 0.00 0.00 174.62 173.70 2ens s LEU 30 N 1.06 4.29 -0.25 4.42 1.02 -0.32 -1.16 118.68 127.74 2ens s LEU 30 Ca -0.02 -0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.04 2ens s LEU 30 Cb -0.20 -2.89 0.02 0.00 0.02 0.00 0.00 46.19 43.14 2ens s LEU 30 CO -0.05 -0.81 -0.04 -0.89 0.02 0.00 0.00 176.35 174.57 2ens s THR 31 N 3.07 3.11 -0.46 5.49 2.01 0.23 -1.49 115.64 127.59 2ens s THR 31 Ca 0.28 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2ens s THR 31 Cb -0.13 -2.54 0.15 0.00 0.01 0.00 0.00 72.50 69.99 2ens s THR 31 CO 0.20 0.24 0.31 0.00 -0.69 0.00 0.00 174.62 174.68 2ens s GLU 33 N 0.05 2.63 -0.02 0.00 2.02 -1.26 -4.86 118.70 117.26 2ens s GLU 33 Ca 0.24 -1.35 0.04 0.00 0.02 0.00 0.00 54.97 53.92 2ens s GLU 33 Cb -0.11 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 2ens s GLU 33 CO -0.09 -0.50 -0.13 0.08 0.02 0.00 0.00 175.26 174.63 2ens s VAL 34 N -2.48 1.05 -0.02 2.63 1.01 -1.24 -4.45 120.40 116.89 2ens s VAL 34 Ca 0.58 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 2ens s VAL 34 Cb -0.09 -0.88 -0.19 0.00 0.00 0.00 0.00 36.38 35.22 2ens s VAL 34 CO 0.35 0.30 1.22 1.55 0.00 0.00 0.00 175.10 178.53 2ens h PRO 35 N 5.93 -0.06 -0.24 2.72 0.13 -1.96 -3.25 132.00 135.25 2ens h PRO 35 Ca -0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2ens h PRO 35 Cb 1.17 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2ens h PRO 35 CO 0.49 0.40 -0.24 0.00 -0.23 0.00 0.00 178.00 178.41 2ens h ALA 36 N 0.35 1.13 -3.05 -0.56 0.00 -1.98 -3.41 119.26 111.74 2ens h ALA 36 Ca -0.01 -0.33 -0.66 0.00 0.00 0.00 0.00 54.91 53.91 2ens h ALA 36 Cb 0.49 -0.12 -0.29 0.00 0.00 0.00 0.00 17.79 17.87 2ens h ALA 36 CO 0.01 0.54 -0.76 -1.14 0.00 0.00 0.00 179.25 177.90 2ens s GLN 37 N -4.51 3.29 -0.02 0.00 0.74 -1.23 -5.02 119.66 112.91 2ens s GLN 37 Ca -0.07 -0.68 -0.26 0.00 0.05 0.00 0.00 55.36 54.41 2ens s GLN 37 Cb 0.14 -2.85 -0.20 0.00 1.10 0.00 0.00 33.01 31.20 2ens s GLN 37 CO 0.79 -0.15 1.24 -1.00 -0.55 0.00 0.00 175.29 175.62 2ens h PRO 38 N 7.88 -0.04 -2.14 1.67 0.13 -1.80 -3.29 132.00 134.41 2ens h PRO 38 Ca -0.40 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.16 2ens h PRO 38 Cb 1.16 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.89 2ens h PRO 38 CO 0.61 0.43 -0.83 -1.13 -0.23 0.00 0.00 178.00 176.85 2ens n SER 39 N -4.88 2.62 -3.10 1.44 3.41 -1.26 -4.75 113.62 107.10 2ens n SER 39 Ca -0.08 -3.26 -0.17 0.00 -0.26 0.00 0.00 58.87 55.10 2ens n SER 39 Cb 0.25 -0.63 0.14 0.00 -0.26 0.00 0.00 64.21 63.72 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 0.59 -2.22 -2.92 4.33 -0.04 -1.26 -4.95 135.00 128.54 2ens n PRO 40 Ca 0.27 -0.98 -0.44 0.00 -0.04 0.00 0.00 63.50 62.31 2ens n PRO 40 Cb 0.48 -0.92 -0.03 0.00 -0.04 0.00 0.00 33.50 32.98 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 -4.39 3.31 0.09 0.54 -1.52 -1.26 -4.98 119.66 111.45 2ens s GLN 41 Ca 0.40 -1.29 -0.23 0.00 -1.95 0.00 0.00 55.36 52.29 2ens s GLN 41 Cb -0.04 -4.53 -0.07 0.00 -0.22 0.00 0.00 33.01 28.15 2ens s GLN 41 CO 0.31 -1.77 0.68 0.42 -0.25 0.00 0.00 175.29 174.68 2ens s ILE 42 N 3.30 4.62 0.14 1.08 -1.09 -1.26 -4.17 121.20 123.82 2ens s ILE 42 Ca 0.25 1.48 0.02 0.00 -2.23 0.00 0.00 60.65 60.17 2ens s ILE 42 Cb -0.13 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 2ens s ILE 42 CO 0.01 0.49 -0.03 -1.00 -1.23 0.00 0.00 174.94 173.18 2ens s HIS 43 N -0.82 1.05 -0.07 3.97 3.76 -1.26 -4.23 115.29 117.69 2ens s HIS 43 Ca 0.33 -0.97 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 2ens s HIS 43 Cb -0.21 -0.60 0.03 0.00 1.11 0.00 0.00 32.58 32.91 2ens s HIS 43 CO 0.22 -0.18 -0.02 -1.58 -0.85 0.00 0.00 174.74 172.33 2ens s TRP 44 N -3.64 0.81 0.22 1.40 0.52 -1.26 -3.30 118.94 113.68 2ens s TRP 44 Ca 0.18 -0.26 0.05 0.00 0.02 0.00 0.00 56.10 56.09 2ens s TRP 44 Cb 0.06 -0.85 -0.03 0.00 -1.15 0.00 0.00 33.47 31.49 2ens s TRP 44 CO -0.00 -0.34 0.26 -1.64 0.02 0.00 0.00 176.95 175.25 2ens s MET 45 N 1.80 3.19 -0.26 4.98 -1.94 -1.20 -3.33 119.30 122.54 2ens s MET 45 Ca 0.03 -0.85 -0.01 0.00 -1.71 0.00 0.00 55.69 53.14 2ens s MET 45 Cb -0.13 -2.76 0.14 0.00 2.01 0.00 0.00 34.83 34.09 2ens s MET 45 CO -0.05 0.44 0.35 0.21 -0.01 0.00 0.00 175.02 175.96 2ens s LYS 46 N -3.72 0.34 -1.01 2.03 2.20 0.28 -4.10 119.74 115.76 2ens s LYS 46 Ca 0.33 0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 56.22 2ens s LYS 46 Cb -0.09 -0.56 0.00 0.00 -1.51 0.00 0.00 37.83 35.67 2ens s LYS 46 CO 0.27 -0.80 0.07 -3.47 -0.36 0.00 0.00 175.35 171.05 2ens n ASP 47 N 5.35 -3.93 0.00 1.43 -0.08 -1.25 -2.39 116.55 115.68 2ens n ASP 47 Ca -0.03 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 2ens n ASP 47 Cb 0.49 -3.07 0.00 0.00 2.34 0.00 0.00 41.12 40.88 2ens n ASP 47 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ens n GLY 48 N -1.05 3.13 3.49 0.27 0.00 -1.26 -5.01 105.19 104.76 2ens n GLY 48 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.97 3.48 0.73 1.61 0.11 -1.01 -5.07 120.40 118.28 2ens s VAL 49 Ca 0.00 -0.53 -0.12 0.00 -2.93 0.00 0.00 61.98 58.39 2ens s VAL 49 Cb 0.00 -2.45 0.03 0.00 -1.53 0.00 0.00 36.38 32.43 2ens s VAL 49 CO 0.00 0.55 1.10 -2.16 -3.33 0.00 0.00 175.10 171.26 2ens s PRO 50 N -0.22 2.47 0.06 1.54 0.04 -1.26 -0.56 135.00 137.08 2ens s PRO 50 Ca 0.02 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.35 2ens s PRO 50 Cb -0.13 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2ens s PRO 50 CO 0.03 -1.49 0.03 -0.51 0.04 0.00 0.00 177.00 175.10 2ens s LEU 51 N -5.50 3.63 -0.97 -3.56 1.43 -1.21 -4.82 118.68 107.67 2ens s LEU 51 Ca 0.63 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 53.44 2ens s LEU 51 Cb -0.18 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 2ens s LEU 51 CO 0.50 0.21 1.94 -2.16 0.23 0.00 0.00 176.35 177.07 2ens s PRO 52 N -2.12 2.54 0.09 1.29 0.04 -1.26 -4.88 135.00 130.70 2ens s PRO 52 Ca 0.25 -0.51 -0.21 0.00 0.04 0.00 0.00 61.00 60.57 2ens s PRO 52 Cb -0.12 -5.11 0.05 0.00 0.04 0.00 0.00 34.50 29.36 2ens s PRO 52 CO 0.17 -3.53 0.50 -0.51 0.04 0.00 0.00 177.00 173.68 2ens s LEU 53 N 10.31 -0.04 0.27 -3.56 1.43 -1.26 -5.15 118.68 120.68 2ens s LEU 53 Ca 0.70 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.52 2ens s LEU 53 Cb -0.05 2.14 -0.10 0.00 0.03 0.00 0.00 46.19 48.21 2ens s LEU 53 CO 0.03 -0.80 1.25 -2.16 0.23 0.00 0.00 176.35 174.90 2ens s PRO 54 N -3.03 4.44 -0.46 1.29 0.04 -1.26 -4.95 135.00 131.07 2ens s PRO 54 Ca -0.02 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 2ens s PRO 54 Cb -0.00 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 2ens s PRO 54 CO -0.06 -0.11 1.77 -1.25 0.04 0.00 0.00 177.00 177.38 2ens s PRO 55 N -1.11 3.07 0.01 0.56 0.04 -1.26 -4.98 135.00 131.33 2ens s PRO 55 Ca 0.50 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.61 2ens s PRO 55 Cb -0.37 -4.25 -0.02 0.00 0.04 0.00 0.00 34.50 29.90 2ens s PRO 55 CO 0.45 -2.18 -0.17 0.45 0.04 0.00 0.00 177.00 175.58 2ens s SER 56 N 6.61 2.04 0.00 6.66 0.15 -1.26 -4.74 113.70 123.16 2ens s SER 56 Ca 0.72 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.00 2ens s SER 56 Cb -0.17 -0.19 0.16 0.00 -1.71 0.00 0.00 66.02 64.10 2ens s SER 56 CO 0.28 0.16 0.63 -0.81 1.20 0.00 0.00 173.24 174.70 2ens n PRO 57 N 2.29 0.49 -3.23 5.44 -0.04 -1.26 -4.33 135.00 134.35 2ens n PRO 57 Ca -0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 2ens n PRO 57 Cb 0.54 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.88 2ens n PRO 57 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ens s VAL 58 N -2.00 -0.82 -0.33 0.52 0.11 -1.25 -3.09 120.40 113.53 2ens s VAL 58 Ca 0.04 -0.09 -0.09 0.00 -2.93 0.00 0.00 61.98 58.91 2ens s VAL 58 Cb 0.02 -0.96 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2ens s VAL 58 CO 0.03 -0.10 0.14 -0.22 -3.33 0.00 0.00 175.10 171.63 2ens s LEU 59 N 2.71 4.26 -0.22 2.54 2.96 -0.56 -4.92 118.68 125.45 2ens s LEU 59 Ca 0.14 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 53.12 2ens s LEU 59 Cb -0.13 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2ens s LEU 59 CO -0.23 -0.27 0.18 -0.63 -1.32 0.00 0.00 176.35 174.07 2ens s ILE 60 N 1.53 5.36 -0.92 6.68 1.09 -1.26 -1.17 121.20 132.50 2ens s ILE 60 Ca 0.02 0.24 -0.02 0.00 -1.10 0.00 0.00 60.65 59.79 2ens s ILE 60 Cb -0.18 -3.52 0.24 0.00 -1.06 0.00 0.00 42.46 37.94 2ens s ILE 60 CO 0.05 0.37 0.88 -0.11 -0.10 0.00 0.00 174.94 176.02 2ens n LEU 61 N 4.03 4.50 -4.77 2.97 7.94 0.32 -4.96 117.00 127.02 2ens n LEU 61 Ca -0.15 -5.15 -0.36 0.00 -1.11 0.00 0.00 56.01 49.25 2ens n LEU 61 Cb 0.52 -1.13 -0.00 0.00 0.53 0.00 0.00 43.42 43.34 2ens n LEU 61 CO 0.36 1.58 0.80 -2.16 -1.11 0.00 0.00 177.39 176.87 2ens s PRO 62 N -1.55 3.52 -1.09 1.96 0.04 -1.26 -3.26 135.00 133.37 2ens s PRO 62 Ca 0.29 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 2ens s PRO 62 Cb -0.05 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2ens s PRO 62 CO -0.10 -0.72 0.93 0.39 0.04 0.00 0.00 177.00 177.53 2ens n GLU 63 N -0.96 -4.27 -2.46 4.56 4.71 -0.20 -4.97 120.64 117.05 2ens n GLU 63 Ca 0.10 0.83 -0.36 0.00 -0.01 0.00 0.00 57.16 57.71 2ens n GLU 63 Cb 0.50 -5.72 -0.03 0.00 -1.01 0.00 0.00 31.44 25.18 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 3.56 0.00 -3.67 1.01 -0.98 -4.81 121.20 112.95 2ens s ILE 64 Ca 0.22 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.04 2ens s ILE 64 Cb -0.03 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2ens s ILE 64 CO 0.71 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.24 2ens n GLY 65 N 0.31 4.60 0.21 6.18 0.00 -1.26 0.13 105.19 115.36 2ens n GLY 65 Ca 0.06 -1.12 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 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 0.38 0.02 1.61 0.13 -1.97 -3.08 132.00 129.10 2ens h PRO 66 Ca 0.00 -0.20 -0.20 0.00 -0.87 0.00 0.00 66.00 64.73 2ens h PRO 66 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2ens h PRO 66 CO 0.00 0.76 -0.93 1.96 -0.23 0.00 0.00 178.00 179.56 2ens h GLN 67 N 0.31 0.14 -0.88 0.86 4.20 -1.99 -3.24 115.11 114.51 2ens h GLN 67 Ca 0.02 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2ens h GLN 67 Cb 0.91 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 2ens h GLN 67 CO 0.08 0.97 0.51 -0.44 -0.67 0.00 0.00 178.83 179.27 2ens h ASP 68 N 0.07 1.08 -1.62 1.46 5.19 -1.93 -3.44 116.42 117.23 2ens h ASP 68 Ca -0.04 -0.08 -0.63 0.00 -0.62 0.00 0.00 57.03 55.66 2ens h ASP 68 Cb 1.59 -0.27 0.15 0.00 0.18 0.00 0.00 39.33 40.98 2ens h ASP 68 CO 0.14 0.85 -0.89 0.00 -3.12 0.00 0.00 179.24 176.21 2ens n GLN 69 N -4.35 0.01 0.00 3.56 6.02 -1.18 -4.86 117.38 116.59 2ens n GLN 69 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2ens n GLN 69 Cb 0.08 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 2.29 -0.64 2.65 1.08 0.00 -1.09 -5.01 105.19 104.47 2ens n GLY 70 Ca 0.12 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 2ens n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ens s THR 71 N -4.00 -0.14 0.36 2.61 2.01 -1.26 -2.39 115.64 112.83 2ens s THR 71 Ca 0.00 -0.10 0.07 0.00 0.31 0.00 0.00 61.69 61.98 2ens s THR 71 Cb 0.00 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 2ens s THR 71 CO 0.00 -0.22 0.36 -0.31 -0.69 0.00 0.00 174.62 173.76 2ens s TYR 72 N 2.18 2.89 -0.29 4.92 1.51 -0.19 -3.77 117.35 124.60 2ens s TYR 72 Ca 0.03 -0.34 -0.18 0.00 -1.01 0.00 0.00 57.07 55.57 2ens s TYR 72 Cb -0.16 -1.96 0.18 0.00 -0.11 0.00 0.00 41.96 39.92 2ens s TYR 72 CO -0.09 0.04 1.19 0.45 -1.11 0.00 0.00 175.55 176.03 2ens s SER 73 N -4.08 -0.22 -0.16 2.29 0.15 -1.26 -0.63 113.70 109.79 2ens s SER 73 Ca 0.44 0.37 -0.28 0.00 0.70 0.00 0.00 55.95 57.18 2ens s SER 73 Cb -0.06 0.90 -0.01 0.00 -1.71 0.00 0.00 66.02 65.14 2ens s SER 73 CO 0.28 -0.06 0.95 0.00 1.20 0.00 0.00 173.24 175.61 2ens s VAL 75 N 2.34 4.31 0.79 0.00 1.01 -1.21 -2.61 120.40 125.03 2ens s VAL 75 Ca 0.44 -2.95 -0.11 0.00 0.00 0.00 0.00 61.98 59.36 2ens s VAL 75 Cb -0.17 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.55 2ens s VAL 75 CO 0.13 -0.95 1.15 0.00 0.00 0.00 0.00 175.10 175.43 2ens s ALA 76 N -0.17 2.75 -0.30 5.51 0.00 -1.11 -4.10 121.76 124.34 2ens s ALA 76 Ca 0.19 -0.73 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 2ens s ALA 76 Cb -0.16 -2.87 0.16 0.00 0.00 0.00 0.00 23.12 20.24 2ens s ALA 76 CO -0.06 -1.62 0.91 -0.08 0.00 0.00 0.00 175.76 174.91 2ens s THR 77 N -3.51 -0.62 0.08 0.00 -1.32 -1.26 -0.47 115.64 108.54 2ens s THR 77 Ca 0.62 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.95 2ens s THR 77 Cb -0.11 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.91 2ens s THR 77 CO 0.48 0.00 0.35 -1.38 -2.21 0.00 0.00 174.62 171.86 2ens s HIS 78 N 2.57 -0.14 0.23 9.09 -3.43 0.83 -4.57 115.29 119.86 2ens s HIS 78 Ca -0.03 -0.10 -0.04 0.00 -0.80 0.00 0.00 55.06 54.09 2ens s HIS 78 Cb -0.08 0.16 0.44 0.00 -1.43 0.00 0.00 32.58 31.67 2ens s HIS 78 CO -0.18 -0.61 1.25 0.45 -2.00 0.00 0.00 174.74 173.66 2ens n SER 79 N 0.13 -0.24 -0.28 7.38 2.88 -1.26 0.19 113.62 122.43 2ens n SER 79 Ca -0.17 1.37 0.08 0.00 -1.33 0.00 0.00 58.87 58.83 2ens n SER 79 Cb 0.62 -0.44 0.23 0.00 -0.75 0.00 0.00 64.21 63.87 2ens n SER 79 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ens h SER 80 N 0.00 0.26 -3.61 -3.46 0.02 -2.04 -3.41 113.55 101.30 2ens h SER 80 Ca 0.41 0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 61.37 2ens h SER 80 Cb 0.70 0.12 -0.25 0.00 0.14 0.00 0.00 62.40 63.11 2ens h SER 80 CO -0.81 0.05 -0.29 -2.28 -1.14 0.00 0.00 176.83 172.36 2ens s HIS 81 N -5.98 -0.48 0.00 3.45 5.04 0.51 -5.16 115.29 112.67 2ens s HIS 81 Ca -0.12 1.11 0.00 0.00 -1.54 0.00 0.00 55.06 54.50 2ens s HIS 81 Cb 0.22 0.18 0.00 0.00 0.04 0.00 0.00 32.58 33.02 2ens s HIS 81 CO 0.77 -0.25 0.00 0.41 -2.34 0.00 0.00 174.74 173.32 2ens n GLY 82 N 3.44 -3.34 3.55 1.59 0.00 -1.24 -0.12 105.19 109.08 2ens n GLY 82 Ca -0.17 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 2.67 0.43 1.61 0.04 -1.26 -3.85 135.00 134.63 2ens s PRO 83 Ca 0.00 0.65 0.08 0.00 0.04 0.00 0.00 61.00 61.77 2ens s PRO 83 Cb 0.00 -4.37 0.01 0.00 0.04 0.00 0.00 34.50 30.17 2ens s PRO 83 CO 0.00 -2.68 0.56 -0.65 0.04 0.00 0.00 177.00 174.27 2ens s GLN 84 N 6.95 2.78 -0.17 4.56 -0.21 0.38 -4.98 119.66 128.97 2ens s GLN 84 Ca 0.68 -1.29 -0.09 0.00 0.02 0.00 0.00 55.36 54.68 2ens s GLN 84 Cb -0.13 -2.72 0.06 0.00 1.00 0.00 0.00 33.01 31.22 2ens s GLN 84 CO 0.21 -0.29 0.41 -2.00 -2.12 0.00 0.00 175.29 171.50 2ens s GLU 85 N -4.34 0.39 0.50 2.91 2.12 -1.26 -2.75 118.70 116.27 2ens s GLU 85 Ca 0.55 0.77 -0.08 0.00 0.36 0.00 0.00 54.97 56.56 2ens s GLU 85 Cb -0.09 -0.01 0.12 0.00 0.26 0.00 0.00 34.13 34.40 2ens s GLU 85 CO 0.33 -0.15 0.65 -1.13 -0.54 0.00 0.00 175.26 174.41 2ens n SER 86 N 4.17 -0.11 -4.63 -1.70 3.41 -1.07 -4.95 113.62 108.73 2ens n SER 86 Ca -0.23 -1.20 -0.43 0.00 -0.26 0.00 0.00 58.87 56.76 2ens n SER 86 Cb 0.55 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2ens n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2ens s ARG 87 N -4.42 3.83 -0.02 4.33 3.00 -1.26 -4.83 118.95 119.58 2ens s ARG 87 Ca 0.37 1.81 -0.38 0.00 0.00 0.00 0.00 55.73 57.53 2ens s ARG 87 Cb -0.01 -4.05 -0.16 0.00 0.00 0.00 0.00 34.95 30.72 2ens s ARG 87 CO 0.26 -1.26 1.46 0.00 0.00 0.00 0.00 175.30 175.76 2ens n ALA 88 N 8.41 -0.76 -2.91 2.13 0.00 -1.26 -4.89 120.51 121.24 2ens n ALA 88 Ca 0.19 0.48 -0.38 0.00 0.00 0.00 0.00 53.44 53.74 2ens n ALA 88 Cb 0.45 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.66 2ens n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ens s VAL 89 N 1.36 4.57 -0.58 0.00 0.11 0.20 -4.95 120.40 121.11 2ens s VAL 89 Ca 0.88 -0.28 -0.19 0.00 -2.93 0.00 0.00 61.98 59.47 2ens s VAL 89 Cb -0.99 -3.25 0.10 0.00 -1.53 0.00 0.00 36.38 30.71 2ens s VAL 89 CO 0.52 0.18 0.69 -0.94 -3.33 0.00 0.00 175.10 172.22 2ens s SER 90 N 1.63 6.19 -0.52 3.54 1.04 -1.26 -1.02 113.70 123.29 2ens s SER 90 Ca 0.05 -1.38 -0.29 0.00 0.48 0.00 0.00 55.95 54.82 2ens s SER 90 Cb -0.16 -2.30 0.03 0.00 0.10 0.00 0.00 66.02 63.69 2ens s SER 90 CO 0.06 -1.09 1.18 -0.63 0.98 0.00 0.00 173.24 173.74 2ens s ILE 91 N 2.67 4.10 0.39 -1.02 -1.09 -1.01 -4.70 121.20 120.55 2ens s ILE 91 Ca 0.12 1.06 0.08 0.00 -2.23 0.00 0.00 60.65 59.67 2ens s ILE 91 Cb -0.24 -4.64 -0.07 0.00 -1.58 0.00 0.00 42.46 35.94 2ens s ILE 91 CO 0.07 -1.15 0.04 -0.44 -1.23 0.00 0.00 174.94 172.23 2ens s SER 92 N 2.79 4.05 -0.06 3.58 0.01 -1.20 -2.68 113.70 120.19 2ens s SER 92 Ca 0.47 -1.22 -0.17 0.00 1.31 0.00 0.00 55.95 56.33 2ens s SER 92 Cb -0.08 -0.43 -0.05 0.00 0.21 0.00 0.00 66.02 65.67 2ens s SER 92 CO 0.29 -0.42 0.45 -0.63 0.41 0.00 0.00 173.24 173.35 2ens s ILE 93 N -2.64 5.10 0.08 1.44 1.01 -1.26 -2.27 121.20 122.66 2ens s ILE 93 Ca 0.36 0.92 -0.22 0.00 0.00 0.00 0.00 60.65 61.72 2ens s ILE 93 Cb 0.06 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 2ens s ILE 93 CO 0.19 0.43 0.65 -0.63 0.00 0.00 0.00 174.94 175.58 2ens s ILE 94 N -0.10 4.67 0.23 2.92 1.01 -0.76 -4.89 121.20 124.29 2ens s ILE 94 Ca 0.25 1.39 -0.30 0.00 0.00 0.00 0.00 60.65 61.99 2ens s ILE 94 Cb -0.16 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 2ens s ILE 94 CO 0.12 0.50 0.94 -1.83 0.00 0.00 0.00 174.94 174.67 2ens s GLU 95 N -0.84 4.85 0.00 2.79 -1.05 -1.26 -4.53 118.70 118.66 2ens s GLU 95 Ca 0.32 1.48 0.16 0.00 -0.15 0.00 0.00 54.97 56.77 2ens s GLU 95 Cb -0.20 -3.28 0.93 0.00 -0.44 0.00 0.00 34.13 31.13 2ens s GLU 95 CO 0.21 0.51 1.34 -0.35 0.95 0.00 0.00 175.26 177.92