#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ens n SER 2 N 0.00 -5.01 -4.09 1.61 2.88 -1.26 -4.99 113.62 102.77 2ens n SER 2 Ca 0.00 -0.47 -0.34 0.00 -1.33 0.00 0.00 58.87 56.73 2ens n SER 2 Cb 0.00 -4.36 -0.13 0.00 -0.75 0.00 0.00 64.21 58.97 2ens n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ens s SER 3 N -3.44 4.98 0.00 -3.46 1.04 -1.26 -5.01 113.70 106.56 2ens s SER 3 Ca 0.40 -1.96 0.00 0.00 0.48 0.00 0.00 55.95 54.88 2ens s SER 3 Cb -0.18 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2ens s SER 3 CO 0.62 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2ens n GLY 4 N 4.46 -0.21 3.77 7.32 0.00 -1.26 -5.01 105.19 114.25 2ens n GLY 4 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.00 7.16 -0.04 1.61 1.04 -1.26 -5.00 113.70 116.20 2ens s SER 5 Ca 0.00 1.38 -0.17 0.00 0.48 0.00 0.00 55.95 57.64 2ens s SER 5 Cb 0.00 -2.43 -0.11 0.00 0.10 0.00 0.00 66.02 63.59 2ens s SER 5 CO 0.00 0.12 0.70 -1.28 0.98 0.00 0.00 173.24 173.76 2ens h SER 6 N 5.22 -0.36 0.00 7.02 0.87 -2.03 -3.46 113.55 120.81 2ens h SER 6 Ca -0.46 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2ens h SER 6 Cb 1.21 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2ens h SER 6 CO 0.68 0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.70 2ens n GLY 7 N 0.48 1.36 3.29 5.77 0.00 -1.26 -4.49 105.19 110.34 2ens n GLY 7 Ca -0.07 0.53 -0.24 0.00 0.00 0.00 0.00 46.02 46.24 2ens n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ens s LEU 8 N 0.00 2.29 -0.11 0.99 1.02 -1.26 -5.14 118.68 116.48 2ens s LEU 8 Ca 0.00 -0.68 -0.04 0.00 0.02 0.00 0.00 54.13 53.43 2ens s LEU 8 Cb 0.00 -0.92 0.06 0.00 0.02 0.00 0.00 46.19 45.35 2ens s LEU 8 CO 0.00 0.07 0.20 -1.83 0.02 0.00 0.00 176.35 174.81 2ens s GLU 9 N -1.88 0.08 -0.11 1.70 -1.05 -1.26 -5.06 118.70 111.12 2ens s GLU 9 Ca 0.07 0.59 -0.11 0.00 -0.15 0.00 0.00 54.97 55.37 2ens s GLU 9 Cb -0.10 -0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.27 2ens s GLU 9 CO 0.04 -0.33 -0.22 0.39 0.95 0.00 0.00 175.26 176.10 2ens n GLU 10 N 5.33 0.34 -1.25 -4.83 -0.58 -1.26 -4.99 120.64 113.40 2ens n GLU 10 Ca -0.05 0.16 -0.45 0.00 -0.42 0.00 0.00 57.16 56.40 2ens n GLU 10 Cb 0.50 -1.12 -0.04 0.00 -0.57 0.00 0.00 31.44 30.21 2ens n GLU 10 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2ens n VAL 11 N -3.76 1.23 -4.16 2.62 0.31 -1.26 -4.70 118.33 108.60 2ens n VAL 11 Ca -0.09 -0.31 -0.25 0.00 -0.01 0.00 0.00 64.34 63.68 2ens n VAL 11 Cb 0.32 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.08 2ens n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ens s GLN 12 N -0.61 1.52 -0.07 5.55 -2.07 -0.93 -4.90 119.66 118.14 2ens s GLN 12 Ca 0.63 -0.29 -0.02 0.00 -1.82 0.00 0.00 55.36 53.86 2ens s GLN 12 Cb -0.90 -1.45 -0.03 0.00 -1.09 0.00 0.00 33.01 29.53 2ens s GLN 12 CO 0.49 -0.15 0.02 -1.17 -1.32 0.00 0.00 175.29 173.16 2ens s LEU 13 N 1.28 3.67 -0.36 2.60 2.96 -1.26 -2.37 118.68 125.20 2ens s LEU 13 Ca -0.03 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 2ens s LEU 13 Cb -0.14 -1.90 0.11 0.00 0.50 0.00 0.00 46.19 44.77 2ens s LEU 13 CO -0.03 0.36 0.12 -0.69 -1.32 0.00 0.00 176.35 174.79 2ens s VAL 14 N -0.94 1.50 0.37 1.68 1.01 -0.54 -5.02 120.40 118.45 2ens s VAL 14 Ca 0.15 -2.04 -0.23 0.00 0.00 0.00 0.00 61.98 59.85 2ens s VAL 14 Cb -0.11 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.06 2ens s VAL 14 CO 0.04 -0.71 0.93 0.54 0.00 0.00 0.00 175.10 175.90 2ens s VAL 15 N 1.02 4.33 -0.08 2.92 0.11 -1.26 -2.77 120.40 124.67 2ens s VAL 15 Ca 0.12 1.61 -0.03 0.00 -2.93 0.00 0.00 61.98 60.75 2ens s VAL 15 Cb -0.20 -3.80 0.04 0.00 -1.53 0.00 0.00 36.38 30.89 2ens s VAL 15 CO -0.13 -0.08 0.12 -1.61 -3.33 0.00 0.00 175.10 170.07 2ens s GLU 16 N -2.59 -0.00 0.65 1.54 0.41 -0.37 -2.42 118.70 115.92 2ens s GLU 16 Ca 0.55 0.44 -0.15 0.00 -0.41 0.00 0.00 54.97 55.40 2ens s GLU 16 Cb -0.14 -0.49 -0.00 0.00 -1.78 0.00 0.00 34.13 31.72 2ens s GLU 16 CO 0.19 -0.35 1.11 -1.25 -0.49 0.00 0.00 175.26 174.47 2ens s PRO 17 N 2.24 2.82 0.16 0.39 0.04 -1.26 -1.10 135.00 138.29 2ens s PRO 17 Ca 0.04 1.40 -0.18 0.00 0.04 0.00 0.00 61.00 62.30 2ens s PRO 17 Cb -0.12 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.53 2ens s PRO 17 CO -0.05 -1.23 1.67 1.05 0.04 0.00 0.00 177.00 178.47 2ens h GLU 18 N 0.08 -0.02 -0.98 4.56 4.11 -1.87 -1.57 114.58 118.89 2ens h GLU 18 Ca -0.47 0.00 0.38 0.00 0.07 0.00 0.00 59.36 59.34 2ens h GLU 18 Cb 1.25 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 2ens h GLU 18 CO 0.54 -0.01 0.41 0.41 0.07 0.00 0.00 179.01 180.43 2ens n GLY 19 N -1.30 -0.88 0.72 1.06 0.00 -1.26 -4.79 105.19 98.74 2ens n GLY 19 Ca 0.01 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2ens n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ens n GLY 20 N -1.31 1.39 3.15 -0.02 0.00 -0.59 -4.99 105.19 102.82 2ens n GLY 20 Ca 0.34 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.02 -0.54 -0.02 4.61 0.00 -1.26 -2.89 121.76 119.64 2ens s ALA 21 Ca 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 2ens s ALA 21 Cb 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.11 2ens s ALA 21 CO 0.00 -0.19 0.55 0.14 0.00 0.00 0.00 175.76 176.25 2ens s VAL 22 N -0.88 0.02 1.00 0.00 -7.23 -0.84 -4.71 120.40 107.77 2ens s VAL 22 Ca -0.10 -0.18 -0.15 0.00 -1.81 0.00 0.00 61.98 59.75 2ens s VAL 22 Cb -0.05 -0.89 0.05 0.00 0.56 0.00 0.00 36.38 36.05 2ens s VAL 22 CO 0.02 -0.10 0.23 0.00 -0.31 0.00 0.00 175.10 174.94 2ens n ALA 23 N 0.92 -3.18 -2.05 1.32 0.00 -1.26 -1.75 120.51 114.50 2ens n ALA 23 Ca -0.20 -0.82 -0.27 0.00 0.00 0.00 0.00 53.44 52.16 2ens n ALA 23 Cb 0.57 -1.69 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 2ens n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ens s PRO 24 N -3.52 2.53 0.00 0.00 0.04 -1.26 -2.51 135.00 130.29 2ens s PRO 24 Ca 0.56 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.99 2ens s PRO 24 Cb -0.18 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2ens s PRO 24 CO 0.68 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 174.52 2ens n GLY 25 N 6.47 1.23 0.00 0.56 0.00 0.44 -4.91 105.19 108.98 2ens n GLY 25 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 1.34 2.79 -0.02 0.00 -1.04 -4.36 105.19 103.89 2ens n GLY 26 Ca 0.00 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 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 1.71 -0.27 -0.13 2.61 2.01 -1.26 -0.49 115.64 119.82 2ens s THR 27 Ca 0.00 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.09 2ens s THR 27 Cb 0.00 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 2ens s THR 27 CO 0.00 -0.02 0.06 -0.69 -0.69 0.00 0.00 174.62 173.29 2ens s VAL 28 N 2.29 4.83 -0.24 3.82 1.01 -1.19 -4.78 120.40 126.14 2ens s VAL 28 Ca 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2ens s VAL 28 Cb -0.14 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2ens s VAL 28 CO -0.08 0.56 0.02 -0.89 0.00 0.00 0.00 175.10 174.70 2ens s THR 29 N -0.46 3.85 -0.46 3.92 2.01 -0.26 -0.17 115.64 124.07 2ens s THR 29 Ca 0.10 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 2ens s THR 29 Cb -0.12 -2.80 0.12 0.00 0.01 0.00 0.00 72.50 69.71 2ens s THR 29 CO 0.02 0.35 0.26 -0.76 -0.69 0.00 0.00 174.62 173.80 2ens s LEU 30 N 1.54 5.27 0.10 4.42 1.43 0.46 -1.24 118.68 130.67 2ens s LEU 30 Ca 0.06 -2.19 -0.04 0.00 -1.03 0.00 0.00 54.13 50.92 2ens s LEU 30 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 2ens s LEU 30 CO 0.00 -0.52 0.32 -0.89 0.23 0.00 0.00 176.35 175.49 2ens s THR 31 N 0.91 5.24 -0.22 5.49 2.01 -1.12 -1.46 115.64 126.50 2ens s THR 31 Ca 0.10 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 2ens s THR 31 Cb -0.22 -3.62 0.09 0.00 0.01 0.00 0.00 72.50 68.76 2ens s THR 31 CO -0.04 0.13 0.20 0.00 -0.69 0.00 0.00 174.62 174.22 2ens s GLU 33 N 2.27 2.08 -0.01 0.00 8.01 -1.00 -4.74 118.70 125.31 2ens s GLU 33 Ca 0.07 -2.02 0.01 0.00 0.01 0.00 0.00 54.97 53.04 2ens s GLU 33 Cb -0.16 -1.77 -0.00 0.00 -4.31 0.00 0.00 34.13 27.89 2ens s GLU 33 CO -0.16 -0.09 -0.04 0.08 0.01 0.00 0.00 175.26 175.05 2ens s VAL 34 N -2.67 0.34 -0.02 2.63 1.01 -1.25 -2.19 120.40 118.25 2ens s VAL 34 Ca 0.36 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.92 2ens s VAL 34 Cb 0.07 -0.30 -0.19 0.00 0.00 0.00 0.00 36.38 35.96 2ens s VAL 34 CO 0.19 0.10 1.22 1.55 0.00 0.00 0.00 175.10 178.17 2ens h PRO 35 N 6.13 -0.07 0.04 2.72 0.13 -1.97 -3.34 132.00 135.64 2ens h PRO 35 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2ens h PRO 35 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ens h PRO 35 CO 0.50 0.40 -0.02 0.00 -0.23 0.00 0.00 178.00 178.65 2ens h ALA 36 N 0.34 -0.05 -2.86 -0.56 0.00 -1.97 -3.43 119.26 110.74 2ens h ALA 36 Ca -0.01 -0.23 -0.59 0.00 0.00 0.00 0.00 54.91 54.08 2ens h ALA 36 Cb 0.49 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 2ens h ALA 36 CO 0.01 -0.29 -0.15 -1.14 0.00 0.00 0.00 179.25 177.68 2ens s GLN 37 N -4.26 4.23 -0.02 0.00 2.00 -1.25 -4.99 119.66 115.36 2ens s GLN 37 Ca -0.16 0.31 -0.25 0.00 -2.00 0.00 0.00 55.36 53.26 2ens s GLN 37 Cb 0.02 -3.51 -0.20 0.00 0.80 0.00 0.00 33.01 30.12 2ens s GLN 37 CO 0.65 0.01 1.23 -1.00 -0.50 0.00 0.00 175.29 175.68 2ens h PRO 38 N 7.16 -0.05 -2.07 1.67 0.13 -1.83 -3.33 132.00 133.68 2ens h PRO 38 Ca -0.37 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.19 2ens h PRO 38 Cb 1.16 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2ens h PRO 38 CO 0.74 0.41 -0.93 -1.13 -0.23 0.00 0.00 178.00 176.86 2ens n SER 39 N -4.89 1.45 -3.32 1.44 3.41 -1.26 -4.74 113.62 105.71 2ens n SER 39 Ca -0.08 -2.97 -0.23 0.00 -0.26 0.00 0.00 58.87 55.33 2ens n SER 39 Cb 0.25 -0.65 0.20 0.00 -0.26 0.00 0.00 64.21 63.75 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 1.16 -2.68 -2.77 4.33 -0.04 -1.26 -4.94 135.00 128.80 2ens n PRO 40 Ca 0.24 -1.36 -0.43 0.00 -0.04 0.00 0.00 63.50 61.92 2ens n PRO 40 Cb 0.49 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 2ens n PRO 40 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2ens s GLN 41 N -4.93 3.31 -0.14 0.54 2.00 -1.26 -4.99 119.66 114.20 2ens s GLN 41 Ca 0.55 -0.99 -0.28 0.00 -2.00 0.00 0.00 55.36 52.65 2ens s GLN 41 Cb -0.05 -4.55 -0.01 0.00 0.80 0.00 0.00 33.01 29.19 2ens s GLN 41 CO 0.42 -1.93 0.92 0.42 -0.50 0.00 0.00 175.29 174.63 2ens s ILE 42 N 4.17 4.83 0.26 -2.34 -1.09 -1.26 -4.14 121.20 121.63 2ens s ILE 42 Ca 0.30 1.85 0.10 0.00 -2.23 0.00 0.00 60.65 60.67 2ens s ILE 42 Cb -0.10 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.50 2ens s ILE 42 CO 0.03 0.02 -0.16 -1.00 -1.23 0.00 0.00 174.94 172.60 2ens s HIS 43 N 2.07 2.06 -0.11 3.97 3.76 -1.19 -3.50 115.29 122.35 2ens s HIS 43 Ca 0.44 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2ens s HIS 43 Cb -0.17 -0.97 0.03 0.00 1.11 0.00 0.00 32.58 32.58 2ens s HIS 43 CO 0.15 0.53 -0.02 -1.58 -0.85 0.00 0.00 174.74 172.98 2ens s TRP 44 N -2.73 1.03 0.38 1.40 0.52 -1.26 -3.23 118.94 115.04 2ens s TRP 44 Ca 0.28 -0.49 0.08 0.00 0.02 0.00 0.00 56.10 55.98 2ens s TRP 44 Cb -0.02 -0.99 -0.07 0.00 -1.15 0.00 0.00 33.47 31.24 2ens s TRP 44 CO 0.12 -0.44 0.03 -1.64 0.02 0.00 0.00 176.95 175.04 2ens s MET 45 N 1.86 2.02 -0.23 4.98 -1.94 -1.20 -3.14 119.30 121.65 2ens s MET 45 Ca 0.04 -1.94 -0.03 0.00 -1.71 0.00 0.00 55.69 52.05 2ens s MET 45 Cb -0.13 -1.79 0.10 0.00 2.01 0.00 0.00 34.83 35.02 2ens s MET 45 CO -0.07 0.01 0.24 0.21 -0.01 0.00 0.00 175.02 175.40 2ens s LYS 46 N -3.74 0.22 -1.05 2.03 2.20 0.70 -3.85 119.74 116.25 2ens s LYS 46 Ca 0.36 0.12 -0.03 0.00 -0.36 0.00 0.00 55.97 56.05 2ens s LYS 46 Cb 0.05 -1.07 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 2ens s LYS 46 CO 0.19 -0.74 0.89 -3.47 -0.36 0.00 0.00 175.35 171.86 2ens n ASP 47 N 5.32 -3.49 -2.01 1.43 -0.08 -1.24 -2.60 116.55 113.88 2ens n ASP 47 Ca -0.05 -0.49 -0.16 0.00 -1.51 0.00 0.00 54.79 52.59 2ens n ASP 47 Cb 0.49 -4.32 0.01 0.00 2.34 0.00 0.00 41.12 39.64 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 -1.37 -0.23 2.85 0.27 0.00 -1.26 -5.01 105.19 100.44 2ens n GLY 48 Ca -0.14 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 2ens n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ens s VAL 49 N -2.89 -0.13 -0.15 1.61 1.01 -1.07 -5.12 120.40 113.66 2ens s VAL 49 Ca 0.11 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2ens s VAL 49 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2ens s VAL 49 CO 0.14 0.11 1.56 -2.16 0.00 0.00 0.00 175.10 174.75 2ens s PRO 50 N 1.66 4.03 0.25 2.72 0.04 -1.26 -0.22 135.00 142.22 2ens s PRO 50 Ca -0.03 1.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 2ens s PRO 50 Cb -0.12 -3.96 -0.09 0.00 0.04 0.00 0.00 34.50 30.37 2ens s PRO 50 CO -0.05 -1.01 0.81 -0.51 0.04 0.00 0.00 177.00 176.27 2ens s LEU 51 N 4.43 4.37 -1.08 -3.56 1.43 -1.19 -4.96 118.68 118.12 2ens s LEU 51 Ca 0.69 1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 55.14 2ens s LEU 51 Cb -0.27 -3.71 -0.07 0.00 0.03 0.00 0.00 46.19 42.16 2ens s LEU 51 CO 0.26 0.01 1.94 -2.16 0.23 0.00 0.00 176.35 176.64 2ens s PRO 52 N -1.92 2.51 0.03 1.29 0.04 -1.26 -4.87 135.00 130.82 2ens s PRO 52 Ca 0.45 -0.85 -0.17 0.00 0.04 0.00 0.00 61.00 60.46 2ens s PRO 52 Cb -0.18 -5.18 0.03 0.00 0.04 0.00 0.00 34.50 29.21 2ens s PRO 52 CO 0.22 -3.78 0.39 -0.51 0.04 0.00 0.00 177.00 173.36 2ens s LEU 53 N 10.73 0.52 0.25 -3.56 1.43 -1.26 -5.15 118.68 121.63 2ens s LEU 53 Ca 0.69 0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 2ens s LEU 53 Cb -0.03 1.63 -0.09 0.00 0.03 0.00 0.00 46.19 47.73 2ens s LEU 53 CO 0.08 -0.62 1.27 -2.16 0.23 0.00 0.00 176.35 175.15 2ens s PRO 54 N -2.29 4.42 -0.39 1.29 0.04 -1.26 -4.94 135.00 131.87 2ens s PRO 54 Ca -0.07 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 2ens s PRO 54 Cb -0.01 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 2ens s PRO 54 CO -0.01 -0.15 1.72 -1.25 0.04 0.00 0.00 177.00 177.35 2ens s PRO 55 N -0.80 3.28 0.03 0.56 0.04 -1.26 -4.96 135.00 131.88 2ens s PRO 55 Ca 0.52 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.77 2ens s PRO 55 Cb -0.36 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 29.96 2ens s PRO 55 CO 0.43 -1.93 -0.05 -1.12 0.04 0.00 0.00 177.00 174.36 2ens s SER 56 N 5.93 0.53 0.00 6.66 0.01 -1.23 -4.78 113.70 120.82 2ens s SER 56 Ca 0.74 -0.51 0.15 0.00 1.31 0.00 0.00 55.95 57.64 2ens s SER 56 Cb -0.19 0.07 0.90 0.00 0.21 0.00 0.00 66.02 67.01 2ens s SER 56 CO 0.31 -0.24 1.35 -0.81 0.41 0.00 0.00 173.24 174.26 2ens n PRO 57 N 1.58 0.45 -3.58 12.44 -0.04 -1.26 -4.38 135.00 140.21 2ens n PRO 57 Ca -0.23 0.02 -0.27 0.00 -0.04 0.00 0.00 63.50 62.98 2ens n PRO 57 Cb 0.55 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.07 -0.09 -0.38 0.52 1.01 -1.26 -2.29 120.40 115.83 2ens s VAL 58 Ca 0.22 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 2ens s VAL 58 Cb 0.11 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.84 2ens s VAL 58 CO 0.19 -0.41 0.19 -0.22 0.00 0.00 0.00 175.10 174.84 2ens s LEU 59 N 2.13 4.76 -0.18 3.92 2.96 -0.53 -4.95 118.68 126.80 2ens s LEU 59 Ca 0.04 -1.31 -0.12 0.00 -0.22 0.00 0.00 54.13 52.52 2ens s LEU 59 Cb -0.16 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 2ens s LEU 59 CO -0.18 -0.43 0.23 -0.63 -1.32 0.00 0.00 176.35 174.02 2ens s ILE 60 N 1.42 5.35 -0.86 6.68 1.01 -1.26 -0.40 121.20 133.14 2ens s ILE 60 Ca 0.01 0.40 0.01 0.00 0.00 0.00 0.00 60.65 61.07 2ens s ILE 60 Cb -0.21 -3.57 0.27 0.00 0.01 0.00 0.00 42.46 38.97 2ens s ILE 60 CO 0.03 0.41 1.06 -0.11 0.00 0.00 0.00 174.94 176.33 2ens n LEU 61 N 3.55 4.95 -4.77 2.97 -0.00 0.76 -4.95 117.00 119.51 2ens n LEU 61 Ca -0.14 -5.31 -0.35 0.00 -0.00 0.00 0.00 56.01 50.21 2ens n LEU 61 Cb 0.52 -0.98 -0.00 0.00 -0.00 0.00 0.00 43.42 42.95 2ens n LEU 61 CO 0.39 1.84 0.79 -2.16 -0.00 0.00 0.00 177.39 178.25 2ens s PRO 62 N -2.46 3.45 -0.98 1.96 0.04 -1.26 -3.19 135.00 132.55 2ens s PRO 62 Ca 0.34 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 2ens s PRO 62 Cb 0.08 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2ens s PRO 62 CO 0.02 -0.78 0.84 0.39 0.04 0.00 0.00 177.00 177.52 2ens n GLU 63 N -1.11 -3.88 -2.46 4.56 1.02 0.36 -4.96 120.64 114.16 2ens n GLU 63 Ca 0.11 0.75 -0.39 0.00 -0.02 0.00 0.00 57.16 57.61 2ens n GLU 63 Cb 0.50 -5.37 -0.04 0.00 -0.02 0.00 0.00 31.44 26.52 2ens n GLU 63 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2ens s ILE 64 N -3.33 3.50 0.00 -3.67 1.01 -0.99 -4.79 121.20 112.93 2ens s ILE 64 Ca 0.20 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.19 2ens s ILE 64 Cb -0.03 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2ens s ILE 64 CO 0.64 0.19 0.00 0.61 0.00 0.00 0.00 174.94 176.38 2ens n GLY 65 N 0.80 4.68 0.25 6.18 0.00 -1.26 0.17 105.19 116.01 2ens n GLY 65 Ca 0.02 -1.10 0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 0.00 1.61 0.13 -1.98 -2.52 132.00 129.24 2ens h PRO 66 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.00 -0.49 -0.56 -0.23 0.00 0.00 178.00 176.72 2ens h GLN 67 N 0.00 0.00 0.08 0.86 3.07 -1.98 -3.31 115.11 113.83 2ens h GLN 67 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.48 2ens h GLN 67 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.03 2ens h GLN 67 CO 0.00 0.00 -1.12 0.22 0.09 0.00 0.00 178.83 178.02 2ens h ASP 68 N 0.00 0.50 -0.37 0.06 1.82 -1.84 -3.45 116.42 113.14 2ens h ASP 68 Ca 0.00 -0.47 -0.78 0.00 -0.39 0.00 0.00 57.03 55.39 2ens h ASP 68 Cb 0.88 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.71 2ens h ASP 68 CO 0.00 1.32 1.21 0.00 -1.61 0.00 0.00 179.24 180.16 2ens n GLN 69 N -3.64 0.18 0.00 0.28 6.02 -1.22 -4.69 117.38 114.31 2ens n GLN 69 Ca -0.08 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2ens n GLN 69 Cb 0.94 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.56 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 6.65 -0.82 3.25 1.08 0.00 -0.97 -5.01 105.19 109.36 2ens n GLY 70 Ca 0.48 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.00 1.84 -0.07 2.61 -4.23 -1.26 -1.67 115.64 108.85 2ens s THR 71 Ca 0.00 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 2ens s THR 71 Cb 0.00 -1.55 0.02 0.00 1.34 0.00 0.00 72.50 72.32 2ens s THR 71 CO 0.00 0.52 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.23 2ens s TYR 72 N -0.34 1.07 -0.00 3.99 1.51 0.14 -3.60 117.35 120.12 2ens s TYR 72 Ca 0.03 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.62 2ens s TYR 72 Cb -0.11 -0.94 -0.00 0.00 -0.11 0.00 0.00 41.96 40.81 2ens s TYR 72 CO 0.01 -0.33 0.12 0.45 -1.11 0.00 0.00 175.55 174.68 2ens s SER 73 N 1.35 0.04 0.22 2.29 0.15 -1.25 -0.56 113.70 115.93 2ens s SER 73 Ca -0.03 -0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.38 2ens s SER 73 Cb -0.14 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.32 2ens s SER 73 CO -0.03 -0.33 0.46 0.00 1.20 0.00 0.00 173.24 174.54 2ens s VAL 75 N -1.88 0.54 -0.15 0.00 1.01 -1.20 -2.38 120.40 116.34 2ens s VAL 75 Ca 0.42 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2ens s VAL 75 Cb -0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2ens s VAL 75 CO 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 175.10 175.07 2ens s ALA 76 N 1.84 3.05 -0.09 5.51 0.00 0.13 -3.19 121.76 129.02 2ens s ALA 76 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 2ens s ALA 76 Cb -0.17 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.42 2ens s ALA 76 CO -0.11 0.26 0.22 -0.08 0.00 0.00 0.00 175.76 176.05 2ens s THR 77 N 0.21 -0.02 0.26 0.00 -1.32 -1.26 -0.63 115.64 112.89 2ens s THR 77 Ca -0.02 0.06 -0.20 0.00 -1.21 0.00 0.00 61.69 60.32 2ens s THR 77 Cb -0.14 -0.33 0.06 0.00 -1.51 0.00 0.00 72.50 70.58 2ens s THR 77 CO 0.03 0.02 0.88 -1.38 -2.21 0.00 0.00 174.62 171.96 2ens s HIS 78 N 0.57 0.00 0.39 9.09 -3.43 -0.81 -4.38 115.29 116.73 2ens s HIS 78 Ca -0.04 -0.49 0.22 0.00 -0.80 0.00 0.00 55.06 53.95 2ens s HIS 78 Cb -0.05 0.74 1.21 0.00 -1.43 0.00 0.00 32.58 33.04 2ens s HIS 78 CO -0.03 -1.18 1.64 0.66 -2.00 0.00 0.00 174.74 173.82 2ens h SER 79 N 2.00 0.00 0.39 7.38 4.64 -2.02 0.39 113.55 126.33 2ens h SER 79 Ca -0.27 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.90 2ens h SER 79 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2ens h SER 79 CO 0.33 0.00 -0.62 0.28 -0.87 0.00 0.00 176.83 175.95 2ens h SER 80 N 0.00 0.25 -4.41 4.97 0.02 -2.02 -3.47 113.55 108.89 2ens h SER 80 Ca 0.00 -0.15 0.16 0.00 -0.84 0.00 0.00 61.79 60.96 2ens h SER 80 Cb 0.67 -0.07 -0.18 0.00 0.14 0.00 0.00 62.40 62.96 2ens h SER 80 CO 0.00 0.80 0.62 -1.00 -1.14 0.00 0.00 176.83 176.11 2ens s HIS 81 N -3.72 -0.27 0.00 3.45 4.02 0.14 -5.18 115.29 113.73 2ens s HIS 81 Ca -0.04 0.21 0.00 0.00 1.02 0.00 0.00 55.06 56.25 2ens s HIS 81 Cb 0.12 0.52 0.00 0.00 -1.02 0.00 0.00 32.58 32.20 2ens s HIS 81 CO 0.80 -0.39 0.00 0.41 1.02 0.00 0.00 174.74 176.57 2ens n GLY 82 N -0.07 -3.12 3.59 -2.22 0.00 -1.26 -1.92 105.19 100.20 2ens n GLY 82 Ca -0.06 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 3.32 -0.15 1.61 0.04 -1.26 -4.20 135.00 134.36 2ens s PRO 83 Ca 0.00 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 2ens s PRO 83 Cb 0.00 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.33 2ens s PRO 83 CO 0.00 -1.88 -0.04 -1.14 0.04 0.00 0.00 177.00 173.98 2ens s GLN 84 N 5.63 3.62 0.01 4.56 -0.44 0.20 -4.99 119.66 128.25 2ens s GLN 84 Ca 0.74 -0.52 0.06 0.00 -2.50 0.00 0.00 55.36 53.15 2ens s GLN 84 Cb -0.19 -2.90 -0.02 0.00 -1.64 0.00 0.00 33.01 28.26 2ens s GLN 84 CO 0.32 0.28 -0.19 -2.00 0.50 0.00 0.00 175.29 174.20 2ens s GLU 85 N 0.27 1.40 0.47 1.67 2.12 -1.26 0.22 118.70 123.58 2ens s GLU 85 Ca -0.03 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.49 2ens s GLU 85 Cb -0.14 -1.42 0.10 0.00 0.26 0.00 0.00 34.13 32.93 2ens s GLU 85 CO 0.03 0.38 0.64 -1.13 -0.54 0.00 0.00 175.26 174.64 2ens n SER 86 N 2.25 0.62 -4.46 -1.70 3.41 -1.00 -5.03 113.62 107.70 2ens n SER 86 Ca -0.16 -1.58 -0.30 0.00 -0.26 0.00 0.00 58.87 56.57 2ens n SER 86 Cb 0.54 -0.44 0.21 0.00 -0.26 0.00 0.00 64.21 64.25 2ens n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ens n ARG 87 N -2.24 -1.68 -3.41 4.33 1.74 -1.26 -4.74 116.66 109.39 2ens n ARG 87 Ca 0.10 -0.45 -0.38 0.00 -0.77 0.00 0.00 57.85 56.34 2ens n ARG 87 Cb 0.35 -2.07 -0.08 0.00 -1.02 0.00 0.00 32.46 29.64 2ens n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ens s ALA 88 N -2.41 3.56 -0.42 7.54 0.00 -1.26 -4.61 121.76 124.16 2ens s ALA 88 Ca 0.64 -0.56 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 2ens s ALA 88 Cb -0.22 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.32 2ens s ALA 88 CO 0.64 -0.30 0.34 0.08 0.00 0.00 0.00 175.76 176.52 2ens s VAL 89 N 1.31 5.22 -0.60 0.00 1.01 0.28 -4.91 120.40 122.71 2ens s VAL 89 Ca 0.18 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2ens s VAL 89 Cb -0.15 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.32 2ens s VAL 89 CO 0.08 -0.37 0.91 -0.94 0.00 0.00 0.00 175.10 174.78 2ens s SER 90 N 1.81 6.23 -0.11 3.32 1.04 -1.26 0.28 113.70 125.02 2ens s SER 90 Ca 0.06 -0.78 -0.25 0.00 0.48 0.00 0.00 55.95 55.46 2ens s SER 90 Cb -0.19 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 2ens s SER 90 CO 0.10 -1.30 0.79 -0.63 0.98 0.00 0.00 173.24 173.19 2ens s ILE 91 N 3.82 4.95 0.11 -1.02 -1.09 -0.67 -4.67 121.20 122.62 2ens s ILE 91 Ca 0.24 1.60 0.01 0.00 -2.23 0.00 0.00 60.65 60.27 2ens s ILE 91 Cb -0.16 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2ens s ILE 91 CO 0.13 0.13 -0.02 -0.44 -1.23 0.00 0.00 174.94 173.51 2ens s SER 92 N 1.00 0.90 -0.09 3.58 0.01 -1.14 -2.28 113.70 115.69 2ens s SER 92 Ca 0.39 -1.08 -0.18 0.00 1.31 0.00 0.00 55.95 56.40 2ens s SER 92 Cb -0.18 0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 2ens s SER 92 CO 0.17 -0.56 0.47 -0.63 0.41 0.00 0.00 173.24 173.10 2ens s ILE 93 N -3.76 5.14 0.16 1.44 1.01 -1.26 -1.98 121.20 121.95 2ens s ILE 93 Ca 0.16 0.95 -0.18 0.00 0.00 0.00 0.00 60.65 61.58 2ens s ILE 93 Cb 0.06 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 2ens s ILE 93 CO -0.03 0.38 0.64 -0.63 0.00 0.00 0.00 174.94 175.30 2ens s ILE 94 N 0.26 4.69 0.23 2.92 1.01 -0.72 -4.88 121.20 124.71 2ens s ILE 94 Ca 0.26 1.14 -0.22 0.00 0.00 0.00 0.00 60.65 61.83 2ens s ILE 94 Cb -0.16 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 2ens s ILE 94 CO 0.11 0.31 0.78 -1.83 0.00 0.00 0.00 174.94 174.31 2ens s GLU 95 N -1.74 4.38 0.00 2.79 1.03 -1.26 -4.30 118.70 119.60 2ens s GLU 95 Ca 0.38 1.02 0.16 0.00 0.03 0.00 0.00 54.97 56.56 2ens s GLU 95 Cb -0.17 -2.94 0.94 0.00 -0.80 0.00 0.00 34.13 31.15 2ens s GLU 95 CO 0.20 0.41 1.35 -0.35 -1.33 0.00 0.00 175.26 175.54