#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 -0.22 0.23 1.61 0.15 -1.26 -5.19 113.70 109.03 2ens s SER 2 Ca 0.00 0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.84 2ens s SER 2 Cb 0.00 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.47 2ens s SER 2 CO 0.00 -0.30 -0.10 -0.44 1.20 0.00 0.00 173.24 173.60 2ens s SER 3 N -1.74 2.56 -0.44 5.45 0.01 -1.26 -5.11 113.70 113.17 2ens s SER 3 Ca 0.05 -1.10 0.05 0.00 1.31 0.00 0.00 55.95 56.27 2ens s SER 3 Cb -0.01 -0.13 0.19 0.00 0.21 0.00 0.00 66.02 66.28 2ens s SER 3 CO -0.04 -0.27 0.47 0.61 0.41 0.00 0.00 173.24 174.42 2ens n GLY 4 N -0.45 1.47 3.03 3.44 0.00 -1.26 -5.08 105.19 106.34 2ens n GLY 4 Ca -0.07 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 0.05 4.69 -0.22 1.61 1.04 -1.26 -5.07 113.70 114.54 2ens s SER 5 Ca 0.32 -1.96 0.01 0.00 0.48 0.00 0.00 55.95 54.80 2ens s SER 5 Cb 0.05 -1.61 0.05 0.00 0.10 0.00 0.00 66.02 64.61 2ens s SER 5 CO -0.16 -0.33 -0.08 -0.94 0.98 0.00 0.00 173.24 172.71 2ens s SER 6 N 0.95 3.64 0.00 7.02 1.04 -1.26 -5.02 113.70 120.08 2ens s SER 6 Ca 0.06 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2ens s SER 6 Cb -0.19 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2ens s SER 6 CO -0.07 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2ens n GLY 7 N 4.67 -0.42 3.69 7.32 0.00 -1.26 -5.12 105.19 114.07 2ens n GLY 7 Ca -0.13 0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 4.02 -0.37 0.99 1.02 -1.26 -5.07 118.68 118.00 2ens s LEU 8 Ca 0.00 0.17 -0.08 0.00 0.02 0.00 0.00 54.13 54.24 2ens s LEU 8 Cb 0.00 -2.02 0.05 0.00 0.02 0.00 0.00 46.19 44.24 2ens s LEU 8 CO 0.00 0.19 0.17 -1.83 0.02 0.00 0.00 176.35 174.90 2ens s GLU 9 N 0.27 2.62 -0.07 1.70 -1.05 -1.26 -4.97 118.70 115.94 2ens s GLU 9 Ca 0.06 -1.28 -0.20 0.00 -0.15 0.00 0.00 54.97 53.40 2ens s GLU 9 Cb -0.12 -3.61 -0.16 0.00 -0.44 0.00 0.00 34.13 29.81 2ens s GLU 9 CO -0.01 -0.78 0.77 0.93 0.95 0.00 0.00 175.26 177.12 2ens h GLU 10 N 8.30 -0.15 -7.14 -4.83 4.39 -2.00 -3.45 114.58 109.69 2ens h GLU 10 Ca -0.23 0.01 -0.53 0.00 0.34 0.00 0.00 59.36 58.96 2ens h GLU 10 Cb 1.08 0.04 0.12 0.00 -0.10 0.00 0.00 28.75 29.89 2ens h GLU 10 CO 0.66 0.31 0.43 0.14 -1.16 0.00 0.00 179.01 179.39 2ens s VAL 11 N -3.06 2.65 -0.08 3.13 -7.23 -1.26 -4.43 120.40 110.13 2ens s VAL 11 Ca -0.12 0.36 -0.02 0.00 -1.81 0.00 0.00 61.98 60.39 2ens s VAL 11 Cb -0.00 -3.02 0.03 0.00 0.56 0.00 0.00 36.38 33.95 2ens s VAL 11 CO 0.46 -0.13 0.02 -1.58 -0.31 0.00 0.00 175.10 173.55 2ens s GLN 12 N -3.64 0.47 -0.47 4.82 0.74 -1.23 -4.98 119.66 115.37 2ens s GLN 12 Ca 0.74 0.12 -0.14 0.00 0.05 0.00 0.00 55.36 56.13 2ens s GLN 12 Cb -0.28 -0.99 0.08 0.00 1.10 0.00 0.00 33.01 32.92 2ens s GLN 12 CO 0.38 -0.34 0.38 -1.17 -0.55 0.00 0.00 175.29 173.99 2ens s LEU 13 N 2.01 5.61 -0.31 3.68 0.20 -1.26 -3.30 118.68 125.31 2ens s LEU 13 Ca 0.05 -1.44 -0.09 0.00 0.69 0.00 0.00 54.13 53.34 2ens s LEU 13 Cb -0.13 -2.15 -0.00 0.00 -0.43 0.00 0.00 46.19 43.49 2ens s LEU 13 CO -0.05 -0.65 0.14 -0.69 -0.29 0.00 0.00 176.35 174.80 2ens s VAL 14 N 1.59 4.45 0.25 1.68 1.01 0.78 -4.98 120.40 125.18 2ens s VAL 14 Ca 0.04 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2ens s VAL 14 Cb -0.25 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2ens s VAL 14 CO 0.05 0.06 0.26 0.68 0.00 0.00 0.00 175.10 176.15 2ens s VAL 15 N 1.58 4.70 -0.08 2.92 -7.23 -1.26 -0.20 120.40 120.83 2ens s VAL 15 Ca 0.04 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 58.94 2ens s VAL 15 Cb -0.17 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.25 2ens s VAL 15 CO 0.05 -0.34 0.03 -1.61 -0.31 0.00 0.00 175.10 172.92 2ens s GLU 16 N -3.90 0.37 0.79 4.82 2.02 -0.71 -2.29 118.70 119.80 2ens s GLU 16 Ca 0.34 0.15 -0.11 0.00 0.02 0.00 0.00 54.97 55.37 2ens s GLU 16 Cb -0.08 -0.95 0.06 0.00 0.10 0.00 0.00 34.13 33.26 2ens s GLU 16 CO 0.26 -0.35 1.09 -1.25 0.02 0.00 0.00 175.26 175.03 2ens s PRO 17 N 2.03 2.15 0.04 0.39 0.04 -1.26 -2.82 135.00 135.56 2ens s PRO 17 Ca 0.04 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.26 2ens s PRO 17 Cb -0.13 -1.89 0.18 0.00 0.04 0.00 0.00 34.50 32.70 2ens s PRO 17 CO -0.05 -1.71 1.11 -0.85 0.04 0.00 0.00 177.00 175.54 2ens n GLU 18 N -3.57 0.02 0.16 4.56 0.28 -0.97 -1.26 120.64 119.87 2ens n GLU 18 Ca 0.09 0.50 0.04 0.00 -0.16 0.00 0.00 57.16 57.62 2ens n GLU 18 Cb 0.53 -1.55 0.18 0.00 1.43 0.00 0.00 31.44 32.03 2ens n GLU 18 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2ens h GLY 19 N 0.18 0.00 -0.05 -1.84 0.00 -1.95 -3.47 103.07 95.93 2ens h GLY 19 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2ens h GLY 19 CO 0.00 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.13 2ens n GLY 20 N 0.72 0.41 2.88 4.60 0.00 -0.39 -5.01 105.19 108.41 2ens n GLY 20 Ca 0.01 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.03 -0.06 -0.04 4.61 0.00 -1.26 -2.06 121.76 120.91 2ens s ALA 21 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.94 2ens s ALA 21 Cb 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.05 2ens s ALA 21 CO 0.00 -0.04 0.40 0.14 0.00 0.00 0.00 175.76 176.26 2ens s VAL 22 N 0.25 0.04 1.00 0.00 -7.23 -0.90 -4.65 120.40 108.90 2ens s VAL 22 Ca -0.02 -0.31 -0.15 0.00 -1.81 0.00 0.00 61.98 59.69 2ens s VAL 22 Cb -0.03 -0.69 0.03 0.00 0.56 0.00 0.00 36.38 36.26 2ens s VAL 22 CO -0.01 -0.17 0.12 0.00 -0.31 0.00 0.00 175.10 174.73 2ens n ALA 23 N 1.46 -3.40 -2.05 1.32 0.00 -1.26 -2.05 120.51 114.52 2ens n ALA 23 Ca -0.20 -0.83 -0.27 0.00 0.00 0.00 0.00 53.44 52.15 2ens n ALA 23 Cb 0.56 -1.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 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 -3.38 2.55 0.00 0.00 0.04 -1.26 -2.25 135.00 130.70 2ens s PRO 24 Ca 0.54 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2ens s PRO 24 Cb -0.17 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2ens s PRO 24 CO 0.69 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 174.67 2ens n GLY 25 N 6.69 1.12 0.00 0.56 0.00 0.64 -4.89 105.19 109.32 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 0.23 2.71 -0.02 0.00 -0.95 -3.92 105.19 103.23 2ens n GLY 26 Ca 0.00 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 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 0.22 -0.27 -0.07 2.61 2.01 -1.26 -0.11 115.64 118.77 2ens s THR 27 Ca 0.00 -0.23 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 2ens s THR 27 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 2ens s THR 27 CO 0.00 -0.30 0.08 -0.69 -0.69 0.00 0.00 174.62 173.02 2ens s VAL 28 N 2.27 4.92 -0.17 3.82 1.01 -1.21 -4.80 120.40 126.25 2ens s VAL 28 Ca 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2ens s VAL 28 Cb -0.16 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.09 2ens s VAL 28 CO -0.16 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.38 2ens s THR 29 N -1.04 2.03 -0.47 3.92 2.01 -1.13 -0.30 115.64 120.66 2ens s THR 29 Ca 0.17 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 2ens s THR 29 Cb -0.12 -1.83 0.10 0.00 0.01 0.00 0.00 72.50 70.66 2ens s THR 29 CO 0.07 0.54 0.37 -0.76 -0.69 0.00 0.00 174.62 174.14 2ens s LEU 30 N 1.26 5.66 -0.18 4.42 1.02 0.30 -1.74 118.68 129.42 2ens s LEU 30 Ca 0.04 -1.66 -0.09 0.00 0.02 0.00 0.00 54.13 52.44 2ens s LEU 30 Cb -0.13 -2.09 -0.05 0.00 0.02 0.00 0.00 46.19 43.94 2ens s LEU 30 CO -0.12 -0.68 0.12 -0.89 0.02 0.00 0.00 176.35 174.80 2ens s THR 31 N 1.49 5.33 -0.37 5.49 2.01 0.71 -1.96 115.64 128.34 2ens s THR 31 Ca 0.04 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2ens s THR 31 Cb -0.26 -3.41 0.12 0.00 0.01 0.00 0.00 72.50 68.96 2ens s THR 31 CO 0.02 0.47 0.17 0.00 -0.69 0.00 0.00 174.62 174.60 2ens s GLU 33 N 0.97 3.03 -0.07 0.00 2.02 -1.21 -4.81 118.70 118.63 2ens s GLU 33 Ca 0.14 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.61 2ens s GLU 33 Cb -0.21 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 2ens s GLU 33 CO -0.11 0.62 -0.10 0.08 0.02 0.00 0.00 175.26 175.78 2ens s VAL 34 N -1.26 3.42 -0.01 2.63 1.01 -1.23 -3.47 120.40 121.49 2ens s VAL 34 Ca 0.25 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 2ens s VAL 34 Cb -0.12 -2.38 -0.19 0.00 0.00 0.00 0.00 36.38 33.68 2ens s VAL 34 CO 0.17 0.58 1.28 1.55 0.00 0.00 0.00 175.10 178.69 2ens h PRO 35 N 5.48 0.08 -0.06 2.72 0.13 -1.97 -3.24 132.00 135.14 2ens h PRO 35 Ca -0.45 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2ens h PRO 35 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2ens h PRO 35 CO 0.52 0.55 -0.54 0.00 -0.23 0.00 0.00 178.00 178.30 2ens h ALA 36 N 0.53 0.99 -3.15 -0.56 0.00 -1.96 -3.42 119.26 111.70 2ens h ALA 36 Ca 0.01 -0.50 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 2ens h ALA 36 Cb 0.53 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 17.91 2ens h ALA 36 CO 0.01 0.68 -0.83 -1.14 0.00 0.00 0.00 179.25 177.97 2ens s GLN 37 N -3.86 3.11 -0.00 0.00 0.74 -1.22 -5.02 119.66 113.41 2ens s GLN 37 Ca -0.03 -0.79 -0.24 0.00 0.05 0.00 0.00 55.36 54.34 2ens s GLN 37 Cb 0.13 -2.58 -0.18 0.00 1.10 0.00 0.00 33.01 31.47 2ens s GLN 37 CO 0.78 -0.07 1.29 -1.00 -0.55 0.00 0.00 175.29 175.74 2ens h PRO 38 N 7.53 0.11 -2.09 1.67 0.13 -1.82 -3.25 132.00 134.28 2ens h PRO 38 Ca -0.36 -0.06 -0.55 0.00 -0.87 0.00 0.00 66.00 64.16 2ens h PRO 38 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 2ens h PRO 38 CO 0.58 0.57 -0.95 0.43 -0.23 0.00 0.00 178.00 178.40 2ens n SER 39 N -4.76 1.85 -3.47 1.44 7.64 -1.26 -4.70 113.62 110.35 2ens n SER 39 Ca -0.08 -3.11 -0.28 0.00 1.01 0.00 0.00 58.87 56.42 2ens n SER 39 Cb 0.28 -0.63 0.23 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.68 -2.99 -2.65 1.43 -0.04 -1.26 -4.93 135.00 125.25 2ens n PRO 40 Ca 0.26 -1.61 -0.42 0.00 -0.04 0.00 0.00 63.50 61.69 2ens n PRO 40 Cb 0.52 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 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 -5.29 3.36 -0.03 0.54 2.00 -1.26 -4.96 119.66 114.02 2ens s GLN 41 Ca 0.66 -0.81 -0.28 0.00 -2.00 0.00 0.00 55.36 52.92 2ens s GLN 41 Cb -0.06 -4.68 -0.03 0.00 0.80 0.00 0.00 33.01 29.04 2ens s GLN 41 CO 0.50 -2.07 0.92 0.42 -0.50 0.00 0.00 175.29 174.56 2ens s ILE 42 N 4.87 4.90 -0.04 -2.34 -1.09 -1.26 -3.77 121.20 122.47 2ens s ILE 42 Ca 0.36 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.71 2ens s ILE 42 Cb -0.06 -4.26 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 2ens s ILE 42 CO 0.03 0.16 -0.01 -1.00 -1.23 0.00 0.00 174.94 172.89 2ens s HIS 43 N 1.07 0.51 -0.15 3.97 3.76 -0.69 -4.01 115.29 119.74 2ens s HIS 43 Ca 0.48 -0.09 -0.08 0.00 -0.15 0.00 0.00 55.06 55.23 2ens s HIS 43 Cb -0.20 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.90 2ens s HIS 43 CO 0.25 -0.18 0.13 -1.58 -0.85 0.00 0.00 174.74 172.51 2ens s TRP 44 N 1.13 3.49 0.06 1.40 0.52 -1.26 0.35 118.94 124.63 2ens s TRP 44 Ca -0.08 0.42 0.05 0.00 0.02 0.00 0.00 56.10 56.51 2ens s TRP 44 Cb -0.14 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.13 2ens s TRP 44 CO -0.02 0.52 -0.14 -1.64 0.02 0.00 0.00 176.95 175.70 2ens s MET 45 N -0.40 0.86 -0.25 4.98 -1.94 -1.13 -3.64 119.30 117.77 2ens s MET 45 Ca 0.12 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.25 2ens s MET 45 Cb -0.12 -0.86 0.06 0.00 2.01 0.00 0.00 34.83 35.92 2ens s MET 45 CO 0.01 0.20 -0.08 0.21 -0.01 0.00 0.00 175.02 175.35 2ens s LYS 46 N -1.49 1.97 -1.22 2.03 2.20 0.40 -3.48 119.74 120.16 2ens s LYS 46 Ca -0.01 -1.23 -0.06 0.00 -0.36 0.00 0.00 55.97 54.31 2ens s LYS 46 Cb -0.09 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.46 2ens s LYS 46 CO 0.02 -0.59 0.83 -3.47 -0.36 0.00 0.00 175.35 171.78 2ens n ASP 47 N 4.52 -5.64 -1.06 1.43 2.03 -1.06 -2.39 116.55 114.37 2ens n ASP 47 Ca -0.13 -0.38 -0.08 0.00 0.52 0.00 0.00 54.79 54.72 2ens n ASP 47 Cb 0.43 -4.33 0.00 0.00 -0.72 0.00 0.00 41.12 36.50 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 -1.65 0.14 2.76 0.27 0.00 -1.26 -5.04 105.19 100.41 2ens n GLY 48 Ca -0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.56 -0.07 -0.33 1.61 1.01 -1.01 -5.11 120.40 113.93 2ens s VAL 49 Ca 0.05 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 2ens s VAL 49 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 2ens s VAL 49 CO 0.07 0.11 1.68 -2.16 0.00 0.00 0.00 175.10 174.80 2ens s PRO 50 N 1.35 3.47 0.30 2.72 0.04 -1.26 -0.46 135.00 141.16 2ens s PRO 50 Ca -0.06 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.07 2ens s PRO 50 Cb -0.13 -4.13 -0.10 0.00 0.04 0.00 0.00 34.50 30.18 2ens s PRO 50 CO -0.03 -1.70 0.95 -0.51 0.04 0.00 0.00 177.00 175.75 2ens s LEU 51 N 6.28 4.42 -1.03 -3.56 1.43 -1.24 -4.95 118.68 120.04 2ens s LEU 51 Ca 0.74 1.89 -0.24 0.00 -1.03 0.00 0.00 54.13 55.50 2ens s LEU 51 Cb -0.21 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.05 2ens s LEU 51 CO 0.33 -0.02 1.94 -2.16 0.23 0.00 0.00 176.35 176.66 2ens s PRO 52 N -1.81 2.54 0.08 1.29 0.04 -1.26 -4.88 135.00 131.00 2ens s PRO 52 Ca 0.48 -0.68 -0.14 0.00 0.04 0.00 0.00 61.00 60.70 2ens s PRO 52 Cb -0.21 -5.14 0.02 0.00 0.04 0.00 0.00 34.50 29.21 2ens s PRO 52 CO 0.27 -3.63 0.33 -0.51 0.04 0.00 0.00 177.00 173.50 2ens s LEU 53 N 10.44 0.75 0.24 -3.56 1.43 -1.26 -5.15 118.68 121.57 2ens s LEU 53 Ca 0.69 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 2ens s LEU 53 Cb -0.04 1.52 -0.09 0.00 0.03 0.00 0.00 46.19 47.61 2ens s LEU 53 CO 0.05 -0.72 1.27 -2.16 0.23 0.00 0.00 176.35 175.02 2ens s PRO 54 N -3.21 4.42 -0.07 1.29 0.04 -1.26 -4.97 135.00 131.23 2ens s PRO 54 Ca -0.00 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 2ens s PRO 54 Cb 0.01 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2ens s PRO 54 CO -0.08 -0.16 1.51 -1.25 0.04 0.00 0.00 177.00 177.06 2ens s PRO 55 N -0.74 4.21 -0.15 0.56 0.04 -1.26 -4.99 135.00 132.66 2ens s PRO 55 Ca 0.53 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 63.35 2ens s PRO 55 Cb -0.37 -3.85 0.06 0.00 0.04 0.00 0.00 34.50 30.38 2ens s PRO 55 CO 0.42 -0.77 0.60 0.45 0.04 0.00 0.00 177.00 177.75 2ens s SER 56 N 2.72 -0.60 0.00 6.66 0.15 -1.26 -4.93 113.70 116.46 2ens s SER 56 Ca 0.67 0.96 0.13 0.00 0.70 0.00 0.00 55.95 58.41 2ens s SER 56 Cb -0.30 0.94 0.80 0.00 -1.71 0.00 0.00 66.02 65.75 2ens s SER 56 CO 0.25 -0.35 1.22 -0.81 1.20 0.00 0.00 173.24 174.74 2ens n PRO 57 N 2.05 0.49 -3.61 5.44 -0.04 -1.26 -4.36 135.00 133.71 2ens n PRO 57 Ca -0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.02 2ens n PRO 57 Cb 0.56 -1.43 -0.16 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.08 -0.31 0.52 1.01 -1.26 -2.20 120.40 116.23 2ens s VAL 58 Ca 0.20 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 2ens s VAL 58 Cb 0.09 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 2ens s VAL 58 CO 0.15 -0.48 0.14 -0.22 0.00 0.00 0.00 175.10 174.70 2ens s LEU 59 N 2.04 4.11 -0.24 3.92 2.96 -0.83 -4.94 118.68 125.71 2ens s LEU 59 Ca 0.05 -0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 2ens s LEU 59 Cb -0.16 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 2ens s LEU 59 CO -0.21 -0.21 0.13 -0.63 -1.32 0.00 0.00 176.35 174.12 2ens s ILE 60 N 1.59 5.11 -0.88 6.68 1.09 -1.26 -0.54 121.20 132.99 2ens s ILE 60 Ca 0.04 0.09 -0.00 0.00 -1.10 0.00 0.00 60.65 59.68 2ens s ILE 60 Cb -0.17 -3.38 0.26 0.00 -1.06 0.00 0.00 42.46 38.11 2ens s ILE 60 CO 0.06 0.35 1.01 -0.11 -0.10 0.00 0.00 174.94 176.15 2ens n LEU 61 N 4.33 4.82 -4.77 2.97 7.94 0.59 -4.98 117.00 127.90 2ens n LEU 61 Ca -0.15 -5.26 -0.39 0.00 -1.11 0.00 0.00 56.01 49.10 2ens n LEU 61 Cb 0.52 -1.03 -0.02 0.00 0.53 0.00 0.00 43.42 43.42 2ens n LEU 61 CO 0.34 1.76 0.86 -2.16 -1.11 0.00 0.00 177.39 177.09 2ens s PRO 62 N -2.19 4.09 -0.93 1.96 0.04 -1.26 -3.29 135.00 133.42 2ens s PRO 62 Ca 0.33 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 2ens s PRO 62 Cb 0.04 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 2ens s PRO 62 CO -0.01 -0.31 0.79 0.39 0.04 0.00 0.00 177.00 177.90 2ens n GLU 63 N 0.19 -3.65 -2.21 4.56 -0.58 0.84 -4.96 120.64 114.83 2ens n GLU 63 Ca 0.04 0.71 -0.39 0.00 -0.42 0.00 0.00 57.16 57.09 2ens n GLU 63 Cb 0.46 -5.17 -0.02 0.00 -0.57 0.00 0.00 31.44 26.14 2ens n GLU 63 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2ens s ILE 64 N -3.31 2.95 0.00 -3.67 1.01 -1.06 -4.70 121.20 112.43 2ens s ILE 64 Ca 0.19 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.69 2ens s ILE 64 Cb -0.02 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.95 2ens s ILE 64 CO 0.60 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.28 2ens n GLY 65 N 0.71 4.28 0.24 6.18 0.00 -1.26 0.23 105.19 115.58 2ens n GLY 65 Ca 0.03 -1.85 0.16 0.00 0.00 0.00 0.00 46.02 44.37 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 0.01 1.61 0.13 -1.97 -2.92 132.00 128.86 2ens h PRO 66 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 2ens h PRO 66 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2ens h PRO 66 CO 0.00 0.00 -1.79 0.94 -0.23 0.00 0.00 178.00 176.92 2ens n GLN 67 N -2.87 0.65 -0.33 0.86 -0.06 -1.26 -4.15 117.38 110.22 2ens n GLN 67 Ca 0.01 0.27 -0.03 0.00 -2.00 0.00 0.00 57.00 55.25 2ens n GLN 67 Cb 0.28 -1.77 0.09 0.00 -4.06 0.00 0.00 30.24 24.78 2ens n GLN 67 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2ens h ASP 68 N 0.01 1.03 -1.83 1.69 3.32 -1.90 -3.44 116.42 115.30 2ens h ASP 68 Ca -0.32 -0.03 -0.63 0.00 0.02 0.00 0.00 57.03 56.08 2ens h ASP 68 Cb 2.03 -0.26 0.13 0.00 0.22 0.00 0.00 39.33 41.45 2ens h ASP 68 CO 0.08 0.74 -0.45 0.00 -1.72 0.00 0.00 179.24 177.89 2ens n GLN 69 N -4.46 0.43 -3.87 3.56 6.02 -1.21 -4.88 117.38 112.96 2ens n GLN 69 Ca 0.10 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2ens n GLN 69 Cb 0.02 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 1.85 -0.90 3.70 1.08 0.00 -1.15 -4.96 105.19 104.82 2ens n GLY 70 Ca 0.13 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.00 5.32 0.14 2.61 -4.23 -1.26 -1.22 115.64 114.01 2ens s THR 71 Ca 0.00 0.16 0.08 0.00 -1.18 0.00 0.00 61.69 60.75 2ens s THR 71 Cb 0.00 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 2ens s THR 71 CO 0.00 0.42 -0.19 -0.31 -0.54 0.00 0.00 174.62 174.00 2ens s TYR 72 N 0.50 1.79 -0.29 3.99 1.51 -0.17 -2.56 117.35 122.13 2ens s TYR 72 Ca 0.07 -0.45 -0.21 0.00 -1.01 0.00 0.00 57.07 55.47 2ens s TYR 72 Cb -0.12 -0.93 0.14 0.00 -0.11 0.00 0.00 41.96 40.95 2ens s TYR 72 CO -0.00 0.28 1.07 0.45 -1.11 0.00 0.00 175.55 176.24 2ens s SER 73 N -2.41 -0.41 0.14 2.29 0.15 -1.23 -2.12 113.70 110.12 2ens s SER 73 Ca 0.12 0.72 -0.22 0.00 0.70 0.00 0.00 55.95 57.28 2ens s SER 73 Cb -0.07 0.92 -0.08 0.00 -1.71 0.00 0.00 66.02 65.08 2ens s SER 73 CO 0.06 -0.12 0.69 0.00 1.20 0.00 0.00 173.24 175.07 2ens s VAL 75 N -1.19 2.34 0.03 0.00 1.01 0.15 -1.79 120.40 120.95 2ens s VAL 75 Ca 0.34 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2ens s VAL 75 Cb -0.21 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2ens s VAL 75 CO 0.23 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.76 2ens s ALA 76 N 0.81 2.90 -0.15 5.51 0.00 -1.19 -1.71 121.76 127.93 2ens s ALA 76 Ca -0.06 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 2ens s ALA 76 Cb -0.15 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.03 2ens s ALA 76 CO -0.01 0.61 0.08 0.95 0.00 0.00 0.00 175.76 177.39 2ens s THR 77 N -1.01 -0.08 0.22 0.00 -4.23 -1.25 -0.19 115.64 109.10 2ens s THR 77 Ca 0.17 -0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.47 2ens s THR 77 Cb -0.11 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.23 2ens s THR 77 CO 0.08 -0.20 0.48 -1.38 -0.54 0.00 0.00 174.62 173.06 2ens s HIS 78 N 2.14 0.17 0.11 3.99 -3.43 -0.35 -4.46 115.29 113.46 2ens s HIS 78 Ca 0.02 -0.53 -0.30 0.00 -0.80 0.00 0.00 55.06 53.45 2ens s HIS 78 Cb -0.15 0.25 -0.11 0.00 -1.43 0.00 0.00 32.58 31.14 2ens s HIS 78 CO -0.08 -0.94 1.49 0.66 -2.00 0.00 0.00 174.74 173.88 2ens h SER 79 N 2.27 -1.58 -0.59 7.38 4.64 -2.01 -2.59 113.55 121.06 2ens h SER 79 Ca -0.27 0.19 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2ens h SER 79 Cb 1.25 0.63 -0.08 0.00 -0.31 0.00 0.00 62.40 63.89 2ens h SER 79 CO 0.37 -0.42 -0.44 0.28 -0.87 0.00 0.00 176.83 175.76 2ens h SER 80 N -0.48 -1.56 -3.30 4.97 0.02 -2.02 -3.38 113.55 107.80 2ens h SER 80 Ca 0.04 0.23 -0.59 0.00 -0.84 0.00 0.00 61.79 60.63 2ens h SER 80 Cb 0.59 0.67 -0.34 0.00 0.14 0.00 0.00 62.40 63.46 2ens h SER 80 CO -0.43 -0.22 -0.84 -1.00 -1.14 0.00 0.00 176.83 173.20 2ens s HIS 81 N -4.93 1.96 0.00 3.45 4.02 -0.98 -5.13 115.29 113.67 2ens s HIS 81 Ca -0.10 -0.89 0.00 0.00 1.02 0.00 0.00 55.06 55.10 2ens s HIS 81 Cb 0.08 -1.40 0.00 0.00 -1.02 0.00 0.00 32.58 30.23 2ens s HIS 81 CO 0.47 -0.44 0.00 0.41 1.02 0.00 0.00 174.74 176.20 2ens n GLY 82 N 4.07 -3.28 3.55 -2.22 0.00 -1.19 -1.21 105.19 104.91 2ens n GLY 82 Ca -0.20 -0.90 -0.33 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 2.59 0.60 1.61 0.04 -1.25 -3.94 135.00 134.64 2ens s PRO 83 Ca 0.00 0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.27 2ens s PRO 83 Cb 0.00 -4.70 0.11 0.00 0.04 0.00 0.00 34.50 29.95 2ens s PRO 83 CO 0.00 -3.04 0.82 1.04 0.04 0.00 0.00 177.00 175.87 2ens n GLN 84 N 9.03 0.26 -3.48 4.56 1.13 0.73 -4.93 117.38 124.69 2ens n GLN 84 Ca 0.30 -2.62 0.00 0.00 -1.94 0.00 0.00 57.00 52.74 2ens n GLN 84 Cb 0.50 -0.43 -0.04 0.00 0.11 0.00 0.00 30.24 30.37 2ens n GLN 84 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2ens s GLU 85 N -4.63 0.36 1.31 -1.09 2.12 -1.26 -3.16 118.70 112.34 2ens s GLU 85 Ca 0.58 0.86 -0.19 0.00 0.36 0.00 0.00 54.97 56.58 2ens s GLU 85 Cb -0.04 0.47 0.33 0.00 0.26 0.00 0.00 34.13 35.15 2ens s GLU 85 CO 0.38 -0.12 0.99 -1.54 -0.54 0.00 0.00 175.26 174.43 2ens s SER 86 N 2.39 -0.08 1.11 -1.70 1.04 -0.74 -4.97 113.70 110.75 2ens s SER 86 Ca -0.04 0.96 -0.14 0.00 0.48 0.00 0.00 55.95 57.21 2ens s SER 86 Cb -0.07 -1.41 0.20 0.00 0.10 0.00 0.00 66.02 64.85 2ens s SER 86 CO -0.18 -4.78 0.74 0.54 0.98 0.00 0.00 173.24 170.55 2ens n ARG 87 N -5.25 -1.78 -3.24 4.02 5.12 -1.26 -4.75 116.66 109.53 2ens n ARG 87 Ca 0.10 -0.48 -0.43 0.00 -1.93 0.00 0.00 57.85 55.11 2ens n ARG 87 Cb 0.59 -2.06 -0.08 0.00 -1.16 0.00 0.00 32.46 29.74 2ens n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ens s ALA 88 N -2.40 3.41 -0.14 7.54 0.00 -1.26 -4.57 121.76 124.34 2ens s ALA 88 Ca 0.64 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.18 2ens s ALA 88 Cb -0.22 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2ens s ALA 88 CO 0.65 -1.58 0.17 0.14 0.00 0.00 0.00 175.76 175.13 2ens s VAL 89 N 2.39 5.43 -0.36 0.00 -7.23 -0.90 -4.91 120.40 114.82 2ens s VAL 89 Ca 0.16 0.27 -0.09 0.00 -1.81 0.00 0.00 61.98 60.52 2ens s VAL 89 Cb -0.16 -3.46 0.03 0.00 0.56 0.00 0.00 36.38 33.35 2ens s VAL 89 CO 0.15 0.54 0.16 -0.55 -0.31 0.00 0.00 175.10 175.09 2ens s SER 90 N -0.46 5.53 -0.24 4.85 0.15 -1.26 -1.00 113.70 121.27 2ens s SER 90 Ca 0.13 -1.05 -0.27 0.00 0.70 0.00 0.00 55.95 55.46 2ens s SER 90 Cb -0.12 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2ens s SER 90 CO 0.03 -0.35 0.96 -0.63 1.20 0.00 0.00 173.24 174.44 2ens s ILE 91 N 1.48 4.73 0.35 6.45 -1.09 -0.35 -4.85 121.20 127.92 2ens s ILE 91 Ca 0.00 1.81 0.09 0.00 -2.23 0.00 0.00 60.65 60.33 2ens s ILE 91 Cb -0.19 -4.24 -0.07 0.00 -1.58 0.00 0.00 42.46 36.38 2ens s ILE 91 CO 0.05 -0.17 -0.08 -0.94 -1.23 0.00 0.00 174.94 172.58 2ens s SER 92 N 1.30 3.77 0.03 3.58 1.04 -0.87 -2.93 113.70 119.62 2ens s SER 92 Ca 0.40 -1.22 -0.02 0.00 0.48 0.00 0.00 55.95 55.59 2ens s SER 92 Cb -0.15 -0.36 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 2ens s SER 92 CO 0.07 -0.24 0.22 -0.63 0.98 0.00 0.00 173.24 173.64 2ens s ILE 93 N -2.62 5.38 -0.13 -1.02 1.01 -1.26 -2.12 121.20 120.44 2ens s ILE 93 Ca 0.33 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 2ens s ILE 93 Cb 0.03 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2ens s ILE 93 CO 0.17 0.24 0.13 -0.63 0.00 0.00 0.00 174.94 174.84 2ens s ILE 94 N -1.42 5.38 0.41 2.92 1.01 -0.87 -4.79 121.20 123.84 2ens s ILE 94 Ca 0.31 0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.86 2ens s ILE 94 Cb -0.13 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 2ens s ILE 94 CO 0.22 0.59 1.45 -1.83 0.00 0.00 0.00 174.94 175.37 2ens s GLU 95 N -0.78 3.93 0.00 2.79 4.04 -1.26 -4.33 118.70 123.09 2ens s GLU 95 Ca 0.13 2.49 0.16 0.00 0.04 0.00 0.00 54.97 57.79 2ens s GLU 95 Cb -0.12 -2.83 0.93 0.00 0.02 0.00 0.00 34.13 32.13 2ens s GLU 95 CO 0.03 -0.65 1.34 -0.35 -1.84 0.00 0.00 175.26 173.80