#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 -3.95 -4.73 1.61 2.88 -1.26 -5.00 113.62 103.17 2ens n SER 2 Ca 0.00 -0.31 -0.39 0.00 -1.33 0.00 0.00 58.87 56.83 2ens n SER 2 Cb 0.00 -3.08 -0.05 0.00 -0.75 0.00 0.00 64.21 60.33 2ens n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ens s SER 3 N -3.31 6.96 0.00 -3.46 0.01 -1.26 -5.07 113.70 107.58 2ens s SER 3 Ca 0.26 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2ens s SER 3 Cb -0.11 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2ens s SER 3 CO 0.41 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.65 2ens n GLY 4 N 2.87 1.95 2.99 3.44 0.00 -1.26 -4.99 105.19 110.19 2ens n GLY 4 Ca -0.04 -1.95 -0.51 0.00 0.00 0.00 0.00 46.02 43.52 2ens n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ens n SER 5 N 0.00 0.12 -3.46 1.61 2.88 -1.26 -4.93 113.62 108.57 2ens n SER 5 Ca 0.00 0.99 -0.14 0.00 -1.33 0.00 0.00 58.87 58.39 2ens n SER 5 Cb 0.00 -0.78 -0.05 0.00 -0.75 0.00 0.00 64.21 62.63 2ens n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ens s SER 6 N 0.31 0.70 -0.42 -3.46 0.01 -1.26 -5.09 113.70 104.49 2ens s SER 6 Ca 0.79 -1.39 0.08 0.00 1.31 0.00 0.00 55.95 56.74 2ens s SER 6 Cb -1.10 0.62 0.42 0.00 0.21 0.00 0.00 66.02 66.17 2ens s SER 6 CO 0.51 -1.22 1.05 0.61 0.41 0.00 0.00 173.24 174.60 2ens n GLY 7 N -0.51 4.94 3.04 3.44 0.00 -1.26 -5.02 105.19 109.83 2ens n GLY 7 Ca 0.01 -2.42 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 2ens n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ens s LEU 8 N -3.42 0.14 -0.29 0.99 0.20 -1.26 -5.14 118.68 109.90 2ens s LEU 8 Ca 0.43 0.56 -0.13 0.00 0.69 0.00 0.00 54.13 55.69 2ens s LEU 8 Cb 0.40 0.74 0.11 0.00 -0.43 0.00 0.00 46.19 47.02 2ens s LEU 8 CO -0.13 -0.19 0.70 -1.83 -0.29 0.00 0.00 176.35 174.60 2ens s GLU 9 N 1.67 0.60 0.03 1.98 -1.05 -1.26 -5.07 118.70 115.60 2ens s GLU 9 Ca -0.06 1.30 -0.31 0.00 -0.15 0.00 0.00 54.97 55.75 2ens s GLU 9 Cb -0.11 0.55 -0.17 0.00 -0.44 0.00 0.00 34.13 33.96 2ens s GLU 9 CO -0.09 -0.17 1.28 0.93 0.95 0.00 0.00 175.26 178.16 2ens h GLU 10 N 7.52 -1.06 -6.26 -4.83 5.08 -2.02 -3.45 114.58 109.56 2ens h GLU 10 Ca -0.23 0.07 -0.46 0.00 -1.00 0.00 0.00 59.36 57.75 2ens h GLU 10 Cb 1.15 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2ens h GLU 10 CO 0.13 -0.71 -0.38 0.14 -1.00 0.00 0.00 179.01 177.18 2ens s VAL 11 N -5.16 4.95 -0.05 3.13 -7.23 -1.26 -4.49 120.40 110.29 2ens s VAL 11 Ca -0.16 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.05 2ens s VAL 11 Cb 0.02 -3.75 0.04 0.00 0.56 0.00 0.00 36.38 33.24 2ens s VAL 11 CO 0.49 -0.31 0.10 0.00 -0.31 0.00 0.00 175.10 175.07 2ens s GLN 12 N -4.06 0.01 -0.40 4.82 0.00 -1.26 -5.03 119.66 113.74 2ens s GLN 12 Ca 0.37 0.36 0.04 0.00 -0.00 0.00 0.00 55.36 56.13 2ens s GLN 12 Cb -0.09 -0.27 0.11 0.00 0.00 0.00 0.00 33.01 32.76 2ens s GLN 12 CO 0.30 -0.22 0.13 -1.17 0.00 0.00 0.00 175.29 174.33 2ens s LEU 13 N 1.54 4.47 -0.55 2.60 0.20 -1.26 -3.64 118.68 122.04 2ens s LEU 13 Ca -0.04 -2.45 -0.23 0.00 0.69 0.00 0.00 54.13 52.10 2ens s LEU 13 Cb -0.12 -1.59 0.05 0.00 -0.43 0.00 0.00 46.19 44.09 2ens s LEU 13 CO -0.05 -0.33 0.88 -0.69 -0.29 0.00 0.00 176.35 175.87 2ens s VAL 14 N 0.50 4.49 0.44 1.68 1.01 -0.87 -4.91 120.40 122.74 2ens s VAL 14 Ca 0.13 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 2ens s VAL 14 Cb -0.21 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 2ens s VAL 14 CO -0.06 -1.08 0.78 0.68 0.00 0.00 0.00 175.10 175.42 2ens s VAL 15 N 3.67 4.83 -0.11 2.92 -7.23 -1.26 -1.37 120.40 121.85 2ens s VAL 15 Ca 0.26 0.47 -0.00 0.00 -1.81 0.00 0.00 61.98 60.90 2ens s VAL 15 Cb -0.14 -3.78 0.03 0.00 0.56 0.00 0.00 36.38 33.04 2ens s VAL 15 CO 0.17 -0.65 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.53 2ens s GLU 16 N -4.20 1.47 1.16 4.82 2.56 -0.37 -2.65 118.70 121.50 2ens s GLU 16 Ca 0.50 -0.25 -0.18 0.00 0.00 0.00 0.00 54.97 55.04 2ens s GLU 16 Cb -0.10 -1.58 0.26 0.00 2.00 0.00 0.00 34.13 34.71 2ens s GLU 16 CO 0.37 -0.28 1.11 -1.25 -0.56 0.00 0.00 175.26 174.64 2ens s PRO 17 N 1.72 -0.84 -1.41 4.30 0.04 -1.26 -1.83 135.00 135.71 2ens s PRO 17 Ca 0.05 0.07 -0.14 0.00 0.04 0.00 0.00 61.00 61.02 2ens s PRO 17 Cb -0.13 -1.63 0.06 0.00 0.04 0.00 0.00 34.50 32.85 2ens s PRO 17 CO -0.08 -3.49 2.11 -1.91 0.04 0.00 0.00 177.00 173.67 2ens n GLU 18 N -4.63 2.99 0.00 4.56 4.07 -1.08 -3.66 120.64 122.89 2ens n GLU 18 Ca 0.11 -2.82 0.00 0.00 -0.06 0.00 0.00 57.16 54.39 2ens n GLU 18 Cb 0.59 -3.27 0.00 0.00 -0.06 0.00 0.00 31.44 28.70 2ens n GLU 18 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ens n GLY 19 N 4.12 0.18 1.11 8.31 0.00 -1.26 -5.04 105.19 112.61 2ens n GLY 19 Ca 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.01 1.08 3.13 -0.02 0.00 -1.24 -5.06 105.19 102.07 2ens n GLY 20 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.83 0.04 4.61 0.00 -1.26 -3.13 121.76 119.17 2ens s ALA 21 Ca 0.00 1.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.15 2ens s ALA 21 Cb 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 2ens s ALA 21 CO 0.00 -0.68 -0.04 0.14 0.00 0.00 0.00 175.76 175.18 2ens s VAL 22 N 2.48 0.25 0.95 0.00 -7.23 -1.12 -4.85 120.40 110.87 2ens s VAL 22 Ca -0.00 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 2ens s VAL 22 Cb -0.12 -1.06 0.14 0.00 0.56 0.00 0.00 36.38 35.90 2ens s VAL 22 CO -0.10 -0.78 1.00 0.00 -0.31 0.00 0.00 175.10 174.90 2ens n ALA 23 N 0.68 -1.33 -2.05 1.32 0.00 -1.26 -2.20 120.51 115.66 2ens n ALA 23 Ca -0.18 -0.63 -0.27 0.00 0.00 0.00 0.00 53.44 52.37 2ens n ALA 23 Cb 0.59 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.87 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 -4.44 2.54 0.00 0.00 0.04 -1.26 -2.66 135.00 129.22 2ens s PRO 24 Ca 0.65 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2ens s PRO 24 Cb -0.23 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2ens s PRO 24 CO 0.60 -3.55 0.00 0.41 0.04 0.00 0.00 177.00 174.50 2ens n GLY 25 N 6.56 1.48 0.00 0.56 0.00 0.45 -4.89 105.19 109.35 2ens n GLY 25 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 1.85 2.78 -0.02 0.00 -1.09 -4.47 105.19 104.24 2ens n GLY 26 Ca 0.00 -1.94 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 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 2.52 -0.27 -0.11 2.61 2.01 -1.26 -0.39 115.64 120.75 2ens s THR 27 Ca 0.00 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 2ens s THR 27 Cb 0.00 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 2ens s THR 27 CO 0.00 -0.05 0.04 -0.69 -0.69 0.00 0.00 174.62 173.23 2ens s VAL 28 N 2.29 4.66 -0.30 3.82 1.01 -1.21 -4.74 120.40 125.93 2ens s VAL 28 Ca 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2ens s VAL 28 Cb -0.14 -3.00 0.07 0.00 0.00 0.00 0.00 36.38 33.31 2ens s VAL 28 CO -0.09 0.59 -0.03 -0.89 0.00 0.00 0.00 175.10 174.68 2ens s THR 29 N -0.73 2.41 -0.15 3.92 2.01 -0.76 -0.10 115.64 122.24 2ens s THR 29 Ca 0.12 -1.81 -0.17 0.00 0.31 0.00 0.00 61.69 60.13 2ens s THR 29 Cb -0.12 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 2ens s THR 29 CO 0.02 -0.24 0.45 -0.76 -0.69 0.00 0.00 174.62 173.41 2ens s LEU 30 N 1.08 4.23 -0.08 4.42 1.02 0.14 -1.23 118.68 128.25 2ens s LEU 30 Ca -0.02 0.70 0.02 0.00 0.02 0.00 0.00 54.13 54.85 2ens s LEU 30 Cb -0.20 -2.63 -0.02 0.00 0.02 0.00 0.00 46.19 43.36 2ens s LEU 30 CO -0.05 -0.03 -0.13 -0.89 0.02 0.00 0.00 176.35 175.27 2ens s THR 31 N 0.89 3.17 -0.03 5.49 2.01 -0.47 -0.17 115.64 126.53 2ens s THR 31 Ca 0.23 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.59 2ens s THR 31 Cb -0.15 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.09 2ens s THR 31 CO 0.09 0.57 -0.06 0.00 -0.69 0.00 0.00 174.62 174.53 2ens s GLU 33 N 0.40 0.98 -0.03 0.00 0.41 -1.24 -4.60 118.70 114.62 2ens s GLU 33 Ca -0.05 -1.10 0.04 0.00 -0.41 0.00 0.00 54.97 53.44 2ens s GLU 33 Cb -0.09 0.34 -0.00 0.00 -1.78 0.00 0.00 34.13 32.60 2ens s GLU 33 CO 0.00 -0.33 -0.14 0.08 -0.49 0.00 0.00 175.26 174.39 2ens s VAL 34 N -3.92 1.12 -0.02 2.63 1.01 -1.25 -4.08 120.40 115.88 2ens s VAL 34 Ca 0.12 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 2ens s VAL 34 Cb 0.04 -0.96 -0.19 0.00 0.00 0.00 0.00 36.38 35.28 2ens s VAL 34 CO -0.05 0.33 1.22 1.55 0.00 0.00 0.00 175.10 178.14 2ens h PRO 35 N 6.11 -0.07 -0.53 2.72 0.13 -1.97 -3.29 132.00 135.09 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 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2ens h PRO 35 CO 0.48 0.39 -0.03 0.00 -0.23 0.00 0.00 178.00 178.61 2ens h ALA 36 N 0.33 0.72 -3.07 -0.56 0.00 -1.97 -3.41 119.26 111.31 2ens h ALA 36 Ca -0.01 -0.31 -0.64 0.00 0.00 0.00 0.00 54.91 53.96 2ens h ALA 36 Cb 0.49 -0.20 -0.19 0.00 0.00 0.00 0.00 17.79 17.90 2ens h ALA 36 CO 0.01 0.57 -0.59 -0.65 0.00 0.00 0.00 179.25 178.60 2ens s GLN 37 N -4.96 3.82 -0.02 0.00 -1.52 -1.24 -5.01 119.66 110.73 2ens s GLN 37 Ca -0.12 -0.41 -0.25 0.00 -1.95 0.00 0.00 55.36 52.63 2ens s GLN 37 Cb 0.12 -3.33 -0.19 0.00 -0.22 0.00 0.00 33.01 29.39 2ens s GLN 37 CO 0.84 -0.01 1.23 -1.00 -0.25 0.00 0.00 175.29 176.10 2ens h PRO 38 N 7.68 -0.06 -2.07 2.91 0.13 -1.81 -3.33 132.00 135.45 2ens h PRO 38 Ca -0.37 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.25 2ens h PRO 38 Cb 1.18 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 2ens h PRO 38 CO 0.62 0.40 -1.05 0.43 -0.23 0.00 0.00 178.00 178.17 2ens n SER 39 N -4.89 1.66 -3.44 1.44 7.64 -1.26 -4.79 113.62 109.99 2ens n SER 39 Ca -0.08 -3.14 -0.27 0.00 1.01 0.00 0.00 58.87 56.38 2ens n SER 39 Cb 0.25 -0.61 0.22 0.00 -1.01 0.00 0.00 64.21 63.07 2ens n SER 39 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ens n PRO 40 N 0.28 -2.93 -2.71 1.43 -0.04 -1.26 -4.94 135.00 124.84 2ens n PRO 40 Ca 0.26 -1.56 -0.42 0.00 -0.04 0.00 0.00 63.50 61.74 2ens n PRO 40 Cb 0.58 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 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 -5.21 3.21 0.44 0.54 2.00 -0.97 -4.98 119.66 114.69 2ens s GLN 41 Ca 0.63 -0.42 -0.21 0.00 -2.00 0.00 0.00 55.36 53.37 2ens s GLN 41 Cb -0.06 -4.16 -0.10 0.00 0.80 0.00 0.00 33.01 29.48 2ens s GLN 41 CO 0.49 -1.89 0.96 0.42 -0.50 0.00 0.00 175.29 174.77 2ens s ILE 42 N 4.81 4.32 -0.06 -2.34 -1.09 -1.26 -1.76 121.20 123.82 2ens s ILE 42 Ca 0.30 1.42 -0.12 0.00 -2.23 0.00 0.00 60.65 60.02 2ens s ILE 42 Cb -0.12 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2ens s ILE 42 CO 0.15 -0.34 0.29 -1.00 -1.23 0.00 0.00 174.94 172.81 2ens s HIS 43 N -2.19 -0.23 -0.18 3.97 3.76 -0.66 -4.31 115.29 115.45 2ens s HIS 43 Ca 0.62 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.02 2ens s HIS 43 Cb -0.10 0.09 0.01 0.00 1.11 0.00 0.00 32.58 33.69 2ens s HIS 43 CO 0.15 -0.28 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.02 2ens s TRP 44 N -0.65 2.80 -0.01 1.40 0.52 -1.26 -0.92 118.94 120.81 2ens s TRP 44 Ca -0.07 -1.40 0.05 0.00 0.02 0.00 0.00 56.10 54.70 2ens s TRP 44 Cb -0.04 -1.94 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 2ens s TRP 44 CO 0.02 -0.69 -0.17 -1.64 0.02 0.00 0.00 176.95 174.49 2ens s MET 45 N 1.20 1.41 -0.26 4.98 -1.94 -0.67 -3.44 119.30 120.58 2ens s MET 45 Ca 0.02 -0.63 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 2ens s MET 45 Cb -0.14 -1.37 0.06 0.00 2.01 0.00 0.00 34.83 35.39 2ens s MET 45 CO -0.08 0.38 -0.09 0.21 -0.01 0.00 0.00 175.02 175.43 2ens s LYS 46 N -0.42 2.04 -0.78 2.03 2.20 -0.38 -1.95 119.74 122.47 2ens s LYS 46 Ca 0.07 -1.27 -0.03 0.00 -0.36 0.00 0.00 55.97 54.37 2ens s LYS 46 Cb -0.07 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 2ens s LYS 46 CO -0.01 -0.59 0.46 -3.47 -0.36 0.00 0.00 175.35 171.38 2ens n ASP 47 N 4.49 -4.14 -1.45 1.43 2.03 -1.04 -2.93 116.55 114.94 2ens n ASP 47 Ca -0.13 -0.21 -0.12 0.00 0.52 0.00 0.00 54.79 54.86 2ens n ASP 47 Cb 0.43 -2.89 0.00 0.00 -0.72 0.00 0.00 41.12 37.94 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 -1.22 -0.06 2.74 0.27 0.00 -1.26 -5.02 105.19 100.64 2ens n GLY 48 Ca -0.03 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.67 -0.09 -0.17 1.61 1.01 -1.15 -5.12 120.40 113.82 2ens s VAL 49 Ca 0.06 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 2ens s VAL 49 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 2ens s VAL 49 CO 0.07 0.13 1.57 -2.16 0.00 0.00 0.00 175.10 174.71 2ens s PRO 50 N 1.54 3.97 0.34 2.72 0.04 -1.26 -1.25 135.00 141.09 2ens s PRO 50 Ca -0.03 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 2ens s PRO 50 Cb -0.13 -3.98 -0.09 0.00 0.04 0.00 0.00 34.50 30.34 2ens s PRO 50 CO -0.03 -1.08 0.80 -0.51 0.04 0.00 0.00 177.00 176.21 2ens s LEU 51 N 4.62 4.08 -1.18 -3.56 1.43 -1.22 -4.96 118.68 117.89 2ens s LEU 51 Ca 0.69 1.43 -0.23 0.00 -1.03 0.00 0.00 54.13 54.99 2ens s LEU 51 Cb -0.27 -4.13 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 2ens s LEU 51 CO 0.27 -0.21 1.93 -2.16 0.23 0.00 0.00 176.35 176.42 2ens s PRO 52 N -2.86 2.50 0.04 1.29 0.04 -1.26 -4.85 135.00 129.90 2ens s PRO 52 Ca 0.54 -1.16 -0.18 0.00 0.04 0.00 0.00 61.00 60.25 2ens s PRO 52 Cb -0.11 -5.24 0.04 0.00 0.04 0.00 0.00 34.50 29.22 2ens s PRO 52 CO 0.17 -3.97 0.41 -0.51 0.04 0.00 0.00 177.00 173.14 2ens s LEU 53 N 10.99 0.39 0.25 -3.56 1.43 -1.26 -5.15 118.68 121.78 2ens s LEU 53 Ca 0.68 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 2ens s LEU 53 Cb -0.01 1.74 -0.09 0.00 0.03 0.00 0.00 46.19 47.86 2ens s LEU 53 CO 0.13 -0.66 1.27 -2.16 0.23 0.00 0.00 176.35 175.16 2ens s PRO 54 N -2.42 4.42 -0.52 1.29 0.04 -1.26 -4.95 135.00 131.61 2ens s PRO 54 Ca -0.06 2.06 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 2ens s PRO 54 Cb -0.01 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 2ens s PRO 54 CO -0.02 -0.15 1.81 -1.25 0.04 0.00 0.00 177.00 177.43 2ens s PRO 55 N -0.84 2.89 0.05 0.56 0.04 -1.26 -4.94 135.00 131.49 2ens s PRO 55 Ca 0.52 0.85 0.01 0.00 0.04 0.00 0.00 61.00 62.42 2ens s PRO 55 Cb -0.37 -4.31 -0.03 0.00 0.04 0.00 0.00 34.50 29.84 2ens s PRO 55 CO 0.43 -2.41 -0.05 -1.12 0.04 0.00 0.00 177.00 173.89 2ens s SER 56 N 7.22 0.64 0.00 6.66 0.01 -1.26 -4.68 113.70 122.30 2ens s SER 56 Ca 0.70 -0.68 0.14 0.00 1.31 0.00 0.00 55.95 57.42 2ens s SER 56 Cb -0.15 0.09 0.85 0.00 0.21 0.00 0.00 66.02 67.02 2ens s SER 56 CO 0.25 -0.34 1.27 -0.81 0.41 0.00 0.00 173.24 174.02 2ens n PRO 57 N 1.05 0.49 -3.56 12.44 -0.04 -1.26 -4.40 135.00 139.72 2ens n PRO 57 Ca -0.20 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.03 2ens n PRO 57 Cb 0.57 -1.46 -0.15 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.18 -0.14 0.52 1.01 -1.26 -1.12 120.40 117.23 2ens s VAL 58 Ca 0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 2ens s VAL 58 Cb 0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 2ens s VAL 58 CO 0.17 -0.29 0.00 -0.22 0.00 0.00 0.00 175.10 174.76 2ens s LEU 59 N 2.21 3.52 -0.22 3.92 2.96 0.76 -4.93 118.68 126.90 2ens s LEU 59 Ca 0.04 0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2ens s LEU 59 Cb -0.16 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 2ens s LEU 59 CO -0.12 0.23 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.44 2ens s ILE 60 N 0.02 3.16 -0.91 6.68 1.09 -1.26 0.25 121.20 130.22 2ens s ILE 60 Ca 0.03 -0.58 -0.00 0.00 -1.10 0.00 0.00 60.65 59.00 2ens s ILE 60 Cb -0.13 -2.43 0.29 0.00 -1.06 0.00 0.00 42.46 39.13 2ens s ILE 60 CO 0.02 0.43 1.20 -0.11 -0.10 0.00 0.00 174.94 176.39 2ens n LEU 61 N 4.77 5.42 -4.73 2.97 -0.00 0.86 -4.95 117.00 121.34 2ens n LEU 61 Ca -0.19 -5.31 -0.30 0.00 -0.00 0.00 0.00 56.01 50.22 2ens n LEU 61 Cb 0.51 -1.04 0.12 0.00 -0.00 0.00 0.00 43.42 43.01 2ens n LEU 61 CO 0.28 1.83 0.68 -2.16 -0.00 0.00 0.00 177.39 178.03 2ens s PRO 62 N -2.68 1.57 -1.22 1.96 0.04 -1.26 -3.33 135.00 130.08 2ens s PRO 62 Ca 0.34 0.92 -0.08 0.00 0.04 0.00 0.00 61.00 62.22 2ens s PRO 62 Cb 0.09 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 2ens s PRO 62 CO 0.06 -2.06 0.73 0.39 0.04 0.00 0.00 177.00 176.17 2ens n GLU 63 N -3.77 -3.02 -2.74 4.56 1.02 0.47 -4.94 120.64 112.23 2ens n GLU 63 Ca 0.08 0.57 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 2ens n GLU 63 Cb 0.55 -4.80 -0.06 0.00 -0.02 0.00 0.00 31.44 27.10 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 -3.59 4.18 0.00 -3.67 1.01 -1.16 -4.81 121.20 113.15 2ens s ILE 64 Ca 0.23 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.36 2ens s ILE 64 Cb -0.07 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2ens s ILE 64 CO 0.83 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.20 2ens n GLY 65 N -0.24 4.53 0.27 6.18 0.00 -1.26 0.17 105.19 114.83 2ens n GLY 65 Ca 0.06 -1.10 -0.13 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 0.93 -0.06 1.61 0.13 -1.97 -3.08 132.00 129.56 2ens h PRO 66 Ca 0.00 -0.49 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2ens h PRO 66 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 2ens h PRO 66 CO 0.00 1.14 -0.65 -0.56 -0.23 0.00 0.00 178.00 177.70 2ens h GLN 67 N 0.76 0.25 -0.53 0.86 3.07 -2.00 -3.09 115.11 114.41 2ens h GLN 67 Ca 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 58.65 58.60 2ens h GLN 67 Cb 0.98 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.55 2ens h GLN 67 CO 0.10 0.81 0.28 -0.44 0.09 0.00 0.00 178.83 179.66 2ens h ASP 68 N 0.18 0.66 -1.49 0.06 5.19 -1.94 -3.43 116.42 115.64 2ens h ASP 68 Ca -0.01 -0.05 -0.71 0.00 -0.62 0.00 0.00 57.03 55.63 2ens h ASP 68 Cb 1.18 -0.17 0.05 0.00 0.18 0.00 0.00 39.33 40.58 2ens h ASP 68 CO 0.10 0.54 0.38 0.00 -3.12 0.00 0.00 179.24 177.15 2ens n GLN 69 N -4.39 0.84 -3.50 3.56 6.02 -1.17 -4.85 117.38 113.89 2ens n GLN 69 Ca 0.05 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 2ens n GLN 69 Cb 0.11 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.46 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 2.38 -1.40 3.77 1.08 0.00 -1.13 -4.96 105.19 104.92 2ens n GLY 70 Ca 0.19 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.87 5.00 -0.13 2.61 -4.23 -1.26 -0.86 115.64 113.90 2ens s THR 71 Ca 0.00 1.08 -0.00 0.00 -1.18 0.00 0.00 61.69 61.59 2ens s THR 71 Cb 0.00 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 70.01 2ens s THR 71 CO 0.00 0.43 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.10 2ens s TYR 72 N -0.17 1.80 0.05 3.99 1.51 0.98 -2.50 117.35 123.00 2ens s TYR 72 Ca 0.28 -0.97 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 2ens s TYR 72 Cb -0.17 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 2ens s TYR 72 CO 0.15 -0.59 -0.11 0.45 -1.11 0.00 0.00 175.55 174.33 2ens s SER 73 N 1.61 1.31 -0.10 2.29 0.15 -0.82 -1.86 113.70 116.28 2ens s SER 73 Ca 0.05 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 2ens s SER 73 Cb -0.13 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 2ens s SER 73 CO -0.09 -0.11 -0.06 0.00 1.20 0.00 0.00 173.24 174.18 2ens s VAL 75 N -0.39 4.19 -0.30 0.00 1.01 -0.10 -0.63 120.40 124.18 2ens s VAL 75 Ca 0.06 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 2ens s VAL 75 Cb -0.12 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.18 2ens s VAL 75 CO 0.02 -0.20 0.09 0.00 0.00 0.00 0.00 175.10 175.02 2ens s ALA 76 N -1.90 1.56 0.14 5.51 0.00 -1.26 -1.65 121.76 124.16 2ens s ALA 76 Ca 0.31 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.65 2ens s ALA 76 Cb -0.09 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 2ens s ALA 76 CO 0.22 -1.63 0.26 0.99 0.00 0.00 0.00 175.76 175.60 2ens s THR 77 N 1.60 5.27 0.19 0.00 2.01 -0.72 -2.76 115.64 121.23 2ens s THR 77 Ca 0.09 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 2ens s THR 77 Cb -0.17 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2ens s THR 77 CO -0.24 -0.06 0.34 0.00 -0.69 0.00 0.00 174.62 173.98 2ens n HIS 78 N -0.40 -1.41 -0.23 4.92 1.44 -1.26 -2.30 115.22 115.98 2ens n HIS 78 Ca -0.07 -1.05 -0.01 0.00 -2.01 0.00 0.00 57.72 54.58 2ens n HIS 78 Cb 0.54 0.40 0.05 0.00 0.12 0.00 0.00 29.99 31.09 2ens n HIS 78 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2ens h SER 79 N 1.01 -0.87 0.70 4.39 4.64 -2.00 1.26 113.55 122.68 2ens h SER 79 Ca -0.16 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2ens h SER 79 Cb 0.62 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2ens h SER 79 CO 0.21 -0.26 0.00 -0.24 -0.87 0.00 0.00 176.83 175.66 2ens n SER 80 N -5.46 0.49 -2.51 4.97 2.88 -1.26 -4.90 113.62 107.82 2ens n SER 80 Ca 0.07 0.62 -0.10 0.00 -1.33 0.00 0.00 58.87 58.13 2ens n SER 80 Cb 0.36 -0.72 0.05 0.00 -0.75 0.00 0.00 64.21 63.15 2ens n SER 80 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2ens n HIS 81 N -2.03 -1.41 -3.53 0.66 -0.00 0.43 -4.99 115.22 104.36 2ens n HIS 81 Ca 0.03 0.54 -0.40 0.00 -0.00 0.00 0.00 57.72 57.89 2ens n HIS 81 Cb 0.22 -3.67 -0.05 0.00 -0.00 0.00 0.00 29.99 26.50 2ens n HIS 81 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2ens s GLY 82 N -3.52 2.99 -0.91 -1.41 0.00 -1.26 -4.83 107.32 98.38 2ens s GLY 82 Ca 0.14 -3.70 -0.25 0.00 0.00 0.00 0.00 44.72 40.92 2ens s GLY 82 CO 0.44 1.23 1.94 2.56 0.00 0.00 0.00 173.10 179.27 2ens s PRO 83 N -0.96 2.56 0.00 2.90 0.04 -1.11 -4.36 135.00 134.07 2ens s PRO 83 Ca 0.26 -0.30 -0.04 0.00 0.04 0.00 0.00 61.00 60.96 2ens s PRO 83 Cb -0.10 -5.07 -0.16 0.00 0.04 0.00 0.00 34.50 29.21 2ens s PRO 83 CO -0.10 -3.37 2.75 1.04 0.04 0.00 0.00 177.00 177.36 2ens n GLN 84 N 8.85 1.46 -1.19 4.56 3.00 -1.14 -4.72 117.38 128.20 2ens n GLN 84 Ca 0.40 -0.60 -0.46 0.00 -0.01 0.00 0.00 57.00 56.33 2ens n GLN 84 Cb 0.47 -1.66 -0.07 0.00 0.00 0.00 0.00 30.24 28.98 2ens n GLN 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2ens n GLU 85 N 2.26 0.00 -1.66 -1.09 2.13 -1.26 -4.60 120.64 116.42 2ens n GLU 85 Ca 0.26 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.78 2ens n GLU 85 Cb 0.68 -1.05 0.20 0.00 0.27 0.00 0.00 31.44 31.55 2ens n GLU 85 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2ens s SER 86 N 1.62 2.39 0.99 4.31 0.01 0.20 -4.99 113.70 118.23 2ens s SER 86 Ca 0.71 0.37 -0.11 0.00 1.31 0.00 0.00 55.95 58.24 2ens s SER 86 Cb -1.01 -0.47 0.19 0.00 0.21 0.00 0.00 66.02 64.93 2ens s SER 86 CO 0.53 -3.19 1.11 -0.13 0.41 0.00 0.00 173.24 171.98 2ens s ARG 87 N -5.74 0.44 -0.27 12.44 0.52 -1.26 -4.62 118.95 120.46 2ens s ARG 87 Ca 0.73 1.38 -0.16 0.00 -0.52 0.00 0.00 55.73 57.16 2ens s ARG 87 Cb -0.06 -1.67 -0.03 0.00 0.52 0.00 0.00 34.95 33.71 2ens s ARG 87 CO 0.54 -2.97 0.41 0.00 0.02 0.00 0.00 175.30 173.30 2ens s ALA 88 N -2.59 3.57 -0.19 2.13 0.00 -1.26 -4.47 121.76 118.95 2ens s ALA 88 Ca 0.67 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 2ens s ALA 88 Cb -0.24 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 2ens s ALA 88 CO 0.60 -0.70 0.16 0.54 0.00 0.00 0.00 175.76 176.36 2ens s VAL 89 N 2.13 5.39 -0.25 0.00 0.11 -0.78 -4.85 120.40 122.16 2ens s VAL 89 Ca 0.16 0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 59.31 2ens s VAL 89 Cb -0.16 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2ens s VAL 89 CO 0.10 0.44 0.44 -0.94 -3.33 0.00 0.00 175.10 171.81 2ens s SER 90 N 0.31 6.37 -0.42 3.54 1.04 -1.26 -0.02 113.70 123.27 2ens s SER 90 Ca 0.10 0.44 -0.16 0.00 0.48 0.00 0.00 55.95 56.81 2ens s SER 90 Cb -0.11 -2.25 0.02 0.00 0.10 0.00 0.00 66.02 63.79 2ens s SER 90 CO -0.01 -0.20 0.37 -0.63 0.98 0.00 0.00 173.24 173.75 2ens s ILE 91 N 2.00 5.17 0.30 -1.02 -1.09 -0.04 -4.77 121.20 121.76 2ens s ILE 91 Ca 0.19 -0.55 0.10 0.00 -2.23 0.00 0.00 60.65 58.16 2ens s ILE 91 Cb -0.16 -4.00 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 2ens s ILE 91 CO 0.09 -0.39 -0.08 -0.44 -1.23 0.00 0.00 174.94 172.90 2ens s SER 92 N 1.81 4.05 0.04 3.58 0.01 -1.18 -2.85 113.70 119.16 2ens s SER 92 Ca 0.08 -0.91 -0.16 0.00 1.31 0.00 0.00 55.95 56.27 2ens s SER 92 Cb -0.18 -0.53 -0.06 0.00 0.21 0.00 0.00 66.02 65.45 2ens s SER 92 CO 0.11 -0.06 0.47 -0.63 0.41 0.00 0.00 173.24 173.55 2ens s ILE 93 N -2.46 4.92 0.13 1.44 1.01 -1.26 -2.78 121.20 122.20 2ens s ILE 93 Ca 0.32 0.96 -0.20 0.00 0.00 0.00 0.00 60.65 61.72 2ens s ILE 93 Cb -0.04 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 2ens s ILE 93 CO 0.18 0.54 0.64 -0.63 0.00 0.00 0.00 174.94 175.67 2ens s ILE 94 N -1.13 4.64 -0.68 2.92 1.01 -0.93 -4.89 121.20 122.14 2ens s ILE 94 Ca 0.27 1.28 0.04 0.00 0.00 0.00 0.00 60.65 62.23 2ens s ILE 94 Cb -0.17 -3.92 0.17 0.00 0.01 0.00 0.00 42.46 38.54 2ens s ILE 94 CO 0.16 0.44 0.47 -1.61 0.00 0.00 0.00 174.94 174.40 2ens s GLU 95 N -1.41 2.45 0.00 2.79 0.41 -1.26 -4.60 118.70 117.08 2ens s GLU 95 Ca 0.34 -3.18 0.16 0.00 -0.41 0.00 0.00 54.97 51.88 2ens s GLU 95 Cb -0.19 -3.47 0.93 0.00 -1.78 0.00 0.00 34.13 29.63 2ens s GLU 95 CO 0.21 -1.25 1.35 -0.35 -0.49 0.00 0.00 175.26 174.73