#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 5.91 -0.86 1.61 0.15 -1.26 -5.05 113.70 114.20 2ens s SER 2 Ca 0.00 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 56.39 2ens s SER 2 Cb 0.00 -1.26 0.17 0.00 -1.71 0.00 0.00 66.02 63.22 2ens s SER 2 CO 0.00 -0.53 0.93 -0.55 1.20 0.00 0.00 173.24 174.30 2ens s SER 3 N -4.20 6.65 0.54 5.45 0.15 -1.26 -5.03 113.70 116.00 2ens s SER 3 Ca 0.47 -2.28 -0.19 0.00 0.70 0.00 0.00 55.95 54.65 2ens s SER 3 Cb -0.10 -2.31 -0.09 0.00 -1.71 0.00 0.00 66.02 61.82 2ens s SER 3 CO 0.33 -0.85 0.68 0.61 1.20 0.00 0.00 173.24 175.21 2ens n GLY 4 N 4.81 -1.08 3.61 9.45 0.00 -1.26 -4.87 105.19 115.84 2ens n GLY 4 Ca 0.17 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2ens n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ens s SER 5 N -1.11 6.59 -0.18 1.61 0.15 -1.26 -4.98 113.70 114.52 2ens s SER 5 Ca 0.69 0.66 -0.29 0.00 0.70 0.00 0.00 55.95 57.70 2ens s SER 5 Cb -0.47 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.28 2ens s SER 5 CO 0.53 -1.26 1.27 -0.44 1.20 0.00 0.00 173.24 174.54 2ens s SER 6 N 2.79 6.92 0.37 5.45 0.01 -1.26 -4.63 113.70 123.35 2ens s SER 6 Ca 0.52 1.65 0.00 0.00 1.31 0.00 0.00 55.95 59.43 2ens s SER 6 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2ens s SER 6 CO 0.30 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2ens n GLY 7 N 3.67 1.85 3.46 3.44 0.00 -1.26 -4.83 105.19 111.51 2ens n GLY 7 Ca 0.14 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 1.01 -0.05 0.99 1.43 -1.26 -5.17 118.68 115.63 2ens s LEU 8 Ca 0.00 -1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 51.63 2ens s LEU 8 Cb 0.00 1.34 0.04 0.00 0.03 0.00 0.00 46.19 47.60 2ens s LEU 8 CO 0.00 -1.23 0.10 -1.83 0.23 0.00 0.00 176.35 173.62 2ens s GLU 9 N -3.27 -0.02 -0.01 1.70 -1.05 -1.26 -5.05 118.70 109.74 2ens s GLU 9 Ca 0.31 0.42 -0.26 0.00 -0.15 0.00 0.00 54.97 55.29 2ens s GLU 9 Cb 0.00 -0.37 -0.20 0.00 -0.44 0.00 0.00 34.13 33.13 2ens s GLU 9 CO 0.19 -0.29 1.31 0.93 0.95 0.00 0.00 175.26 178.35 2ens h GLU 10 N 8.17 -0.02 -6.61 -4.83 5.08 -2.02 -3.44 114.58 110.92 2ens h GLU 10 Ca -0.19 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.58 2ens h GLU 10 Cb 1.12 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.48 2ens h GLU 10 CO 0.21 0.42 0.35 1.33 -1.00 0.00 0.00 179.01 180.31 2ens n VAL 11 N -4.89 1.89 -3.53 3.13 0.24 -1.26 -4.70 118.33 109.20 2ens n VAL 11 Ca -0.08 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.34 61.47 2ens n VAL 11 Cb 0.23 -1.30 -0.11 0.00 -1.47 0.00 0.00 33.84 31.19 2ens n VAL 11 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2ens s GLN 12 N -1.59 1.28 -0.03 7.34 0.74 -1.26 -4.97 119.66 121.18 2ens s GLN 12 Ca 0.58 -2.37 -0.30 0.00 0.05 0.00 0.00 55.36 53.32 2ens s GLN 12 Cb -0.64 -1.94 -0.06 0.00 1.10 0.00 0.00 33.01 31.47 2ens s GLN 12 CO 0.60 -1.35 1.70 -1.17 -0.55 0.00 0.00 175.29 174.53 2ens s LEU 13 N -0.25 4.34 -0.41 3.68 0.20 -1.26 -4.49 118.68 120.50 2ens s LEU 13 Ca 0.30 2.32 -0.05 0.00 0.69 0.00 0.00 54.13 57.38 2ens s LEU 13 Cb -0.01 -3.53 0.09 0.00 -0.43 0.00 0.00 46.19 42.31 2ens s LEU 13 CO -0.17 -0.94 0.21 -0.69 -0.29 0.00 0.00 176.35 174.47 2ens s VAL 14 N 4.01 3.65 0.38 1.68 1.01 -0.77 -5.00 120.40 125.37 2ens s VAL 14 Ca 0.76 -1.74 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 2ens s VAL 14 Cb -0.35 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 2ens s VAL 14 CO 0.32 -0.58 0.97 -0.69 0.00 0.00 0.00 175.10 175.12 2ens s VAL 15 N 1.27 4.19 -0.31 2.92 1.01 -1.26 -2.96 120.40 125.26 2ens s VAL 15 Ca 0.05 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.64 2ens s VAL 15 Cb -0.23 -3.78 0.09 0.00 0.00 0.00 0.00 36.38 32.46 2ens s VAL 15 CO -0.02 -0.07 0.04 -1.61 0.00 0.00 0.00 175.10 173.45 2ens s GLU 16 N -2.60 1.25 1.01 2.72 0.41 -0.98 0.60 118.70 121.12 2ens s GLU 16 Ca 0.56 -1.40 -0.12 0.00 -0.41 0.00 0.00 54.97 53.60 2ens s GLU 16 Cb -0.15 -2.64 0.20 0.00 -1.78 0.00 0.00 34.13 29.75 2ens s GLU 16 CO 0.20 -0.88 1.09 -1.25 -0.49 0.00 0.00 175.26 173.94 2ens s PRO 17 N 1.26 0.32 0.11 0.39 0.04 -1.26 -2.69 135.00 133.16 2ens s PRO 17 Ca 0.07 0.49 -0.15 0.00 0.04 0.00 0.00 61.00 61.44 2ens s PRO 17 Cb -0.18 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2ens s PRO 17 CO -0.14 -2.80 1.49 1.05 0.04 0.00 0.00 177.00 176.65 2ens h GLU 18 N -1.94 0.66 -0.99 4.56 4.11 -0.21 -3.11 114.58 117.66 2ens h GLU 18 Ca -0.55 -0.27 0.35 0.00 0.07 0.00 0.00 59.36 58.97 2ens h GLU 18 Cb 1.33 -0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.39 2ens h GLU 18 CO 0.58 0.85 0.45 0.78 0.07 0.00 0.00 179.01 181.73 2ens h GLY 19 N 0.43 1.99 -0.09 1.06 0.00 -1.99 -3.42 103.07 101.05 2ens h GLY 19 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2ens h GLY 19 CO 0.04 -0.63 0.00 0.61 0.00 0.00 0.00 176.54 176.56 2ens n GLY 20 N -1.31 1.37 3.19 4.60 0.00 -1.18 -4.98 105.19 106.88 2ens n GLY 20 Ca 0.32 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.09 -0.79 0.11 4.61 0.00 -1.26 -2.14 121.76 120.20 2ens s ALA 21 Ca 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 2ens s ALA 21 Cb 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.52 2ens s ALA 21 CO 0.00 -0.18 0.26 0.14 0.00 0.00 0.00 175.76 175.98 2ens s VAL 22 N 0.57 0.11 0.90 0.00 -7.23 -0.92 -4.73 120.40 109.11 2ens s VAL 22 Ca -0.03 -1.09 -0.10 0.00 -1.81 0.00 0.00 61.98 58.94 2ens s VAL 22 Cb -0.05 -1.41 0.14 0.00 0.56 0.00 0.00 36.38 35.62 2ens s VAL 22 CO -0.03 -0.50 1.15 0.00 -0.31 0.00 0.00 175.10 175.41 2ens s ALA 23 N -3.87 1.54 -0.90 1.32 0.00 -1.26 -1.57 121.76 117.01 2ens s ALA 23 Ca 0.07 0.61 -0.25 0.00 0.00 0.00 0.00 51.96 52.40 2ens s ALA 23 Cb 0.04 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2ens s ALA 23 CO -0.09 -2.68 1.95 -1.25 0.00 0.00 0.00 175.76 173.69 2ens s PRO 24 N -4.60 2.56 0.00 0.00 0.04 -1.26 -2.43 135.00 129.31 2ens s PRO 24 Ca 0.67 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2ens s PRO 24 Cb -0.23 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.25 2ens s PRO 24 CO 0.57 -3.37 0.00 0.41 0.04 0.00 0.00 177.00 174.65 2ens n GLY 25 N 6.84 1.24 0.00 0.56 0.00 0.62 -4.91 105.19 109.55 2ens n GLY 25 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 1.35 2.89 -0.02 0.00 -1.02 -4.17 105.19 104.23 2ens n GLY 26 Ca 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 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 1.74 -0.21 -0.07 2.61 2.01 -1.26 0.44 115.64 120.91 2ens s THR 27 Ca 0.00 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.30 2ens s THR 27 Cb 0.00 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2ens s THR 27 CO 0.00 0.12 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.29 2ens s VAL 28 N 1.94 3.73 -0.34 3.82 1.01 -1.21 -4.79 120.40 124.56 2ens s VAL 28 Ca -0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2ens s VAL 28 Cb -0.12 -2.53 0.07 0.00 0.00 0.00 0.00 36.38 33.80 2ens s VAL 28 CO -0.06 0.60 0.07 -0.89 0.00 0.00 0.00 175.10 174.82 2ens s THR 29 N -0.82 3.13 -0.59 3.92 2.01 -1.10 -0.95 115.64 121.25 2ens s THR 29 Ca 0.13 -1.60 -0.19 0.00 0.31 0.00 0.00 61.69 60.34 2ens s THR 29 Cb -0.11 -2.92 0.10 0.00 0.01 0.00 0.00 72.50 69.58 2ens s THR 29 CO 0.02 -0.31 0.71 -0.76 -0.69 0.00 0.00 174.62 173.59 2ens s LEU 30 N 1.22 5.31 -0.11 4.42 1.43 0.94 -2.32 118.68 129.58 2ens s LEU 30 Ca -0.00 -1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 51.61 2ens s LEU 30 Cb -0.21 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 2ens s LEU 30 CO -0.02 -1.11 0.25 -0.89 0.23 0.00 0.00 176.35 174.81 2ens s THR 31 N 2.75 5.32 -0.49 5.49 2.01 -1.16 -1.93 115.64 127.63 2ens s THR 31 Ca 0.12 0.46 0.03 0.00 0.31 0.00 0.00 61.69 62.62 2ens s THR 31 Cb -0.23 -3.55 0.16 0.00 0.01 0.00 0.00 72.50 68.88 2ens s THR 31 CO 0.07 0.52 0.34 0.00 -0.69 0.00 0.00 174.62 174.86 2ens s GLU 33 N -0.16 2.24 -0.00 0.00 0.41 -1.26 -4.85 118.70 115.08 2ens s GLU 33 Ca 0.25 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 54.04 2ens s GLU 33 Cb -0.09 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 2ens s GLU 33 CO -0.11 -1.01 -0.00 0.08 -0.49 0.00 0.00 175.26 173.73 2ens s VAL 34 N -2.96 0.03 -0.02 2.63 1.01 -1.26 -3.99 120.40 115.84 2ens s VAL 34 Ca 0.60 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 2ens s VAL 34 Cb -0.09 -0.05 -0.20 0.00 0.00 0.00 0.00 36.38 36.04 2ens s VAL 34 CO 0.41 0.02 1.23 1.55 0.00 0.00 0.00 175.10 178.31 2ens h PRO 35 N 6.30 -0.06 0.23 2.72 0.13 -1.97 -3.38 132.00 135.96 2ens h PRO 35 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2ens h PRO 35 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ens h PRO 35 CO 0.51 0.41 -0.11 0.00 -0.23 0.00 0.00 178.00 178.57 2ens h ALA 36 N 0.37 -0.49 -2.20 -0.56 0.00 -1.97 -3.43 119.26 110.98 2ens h ALA 36 Ca -0.01 -0.07 -0.56 0.00 0.00 0.00 0.00 54.91 54.27 2ens h ALA 36 Cb 0.49 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2ens h ALA 36 CO 0.01 -0.47 0.73 -0.65 0.00 0.00 0.00 179.25 178.88 2ens s GLN 37 N -2.66 4.32 -0.02 0.00 -1.52 -1.26 -4.95 119.66 113.57 2ens s GLN 37 Ca -0.04 1.50 -0.26 0.00 -1.95 0.00 0.00 55.36 54.61 2ens s GLN 37 Cb 0.00 -3.62 -0.20 0.00 -0.22 0.00 0.00 33.01 28.97 2ens s GLN 37 CO 0.13 -0.51 1.25 -1.00 -0.25 0.00 0.00 175.29 174.91 2ens h PRO 38 N 7.51 -0.02 -2.06 2.91 0.13 -1.84 -3.36 132.00 135.26 2ens h PRO 38 Ca -0.27 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.32 2ens h PRO 38 Cb 1.12 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.85 2ens h PRO 38 CO 0.92 0.47 -1.03 0.43 -0.23 0.00 0.00 178.00 178.56 2ens n SER 39 N -4.86 1.51 -2.90 1.44 7.64 -1.26 -4.79 113.62 110.40 2ens n SER 39 Ca -0.08 -3.07 -0.11 0.00 1.01 0.00 0.00 58.87 56.62 2ens n SER 39 Cb 0.25 -0.62 0.09 0.00 -1.01 0.00 0.00 64.21 62.92 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 0.58 -1.82 -2.80 1.43 -0.04 -1.26 -4.94 135.00 126.15 2ens n PRO 40 Ca 0.25 -0.65 -0.43 0.00 -0.04 0.00 0.00 63.50 62.64 2ens n PRO 40 Cb 0.56 -0.61 -0.04 0.00 -0.04 0.00 0.00 33.50 33.37 2ens n PRO 40 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2ens s GLN 41 N -3.92 3.19 0.04 0.54 -1.52 -1.26 -5.01 119.66 111.71 2ens s GLN 41 Ca 0.26 -0.58 -0.23 0.00 -1.95 0.00 0.00 55.36 52.87 2ens s GLN 41 Cb -0.03 -4.17 -0.06 0.00 -0.22 0.00 0.00 33.01 28.54 2ens s GLN 41 CO 0.20 -1.78 0.69 0.42 -0.25 0.00 0.00 175.29 174.58 2ens s ILE 42 N 4.30 4.77 0.19 1.08 -1.09 -1.26 -4.04 121.20 125.15 2ens s ILE 42 Ca 0.26 1.47 0.03 0.00 -2.23 0.00 0.00 60.65 60.18 2ens s ILE 42 Cb -0.14 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.65 2ens s ILE 42 CO 0.13 0.41 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.23 2ens s HIS 43 N -0.24 1.37 -0.09 3.97 3.76 -1.23 -4.18 115.29 118.65 2ens s HIS 43 Ca 0.35 -0.92 -0.02 0.00 -0.15 0.00 0.00 55.06 54.32 2ens s HIS 43 Cb -0.20 -0.77 0.04 0.00 1.11 0.00 0.00 32.58 32.76 2ens s HIS 43 CO 0.21 -0.08 0.02 -1.58 -0.85 0.00 0.00 174.74 172.46 2ens s TRP 44 N -3.49 0.61 0.03 1.40 0.52 -1.26 -2.78 118.94 113.97 2ens s TRP 44 Ca 0.24 -0.23 0.06 0.00 0.02 0.00 0.00 56.10 56.18 2ens s TRP 44 Cb 0.05 -0.79 -0.03 0.00 -1.15 0.00 0.00 33.47 31.55 2ens s TRP 44 CO 0.05 -0.37 -0.13 -1.64 0.02 0.00 0.00 176.95 174.88 2ens s MET 45 N 1.99 2.27 -0.30 4.98 -1.94 -0.99 -3.56 119.30 121.77 2ens s MET 45 Ca 0.04 -0.88 0.01 0.00 -1.71 0.00 0.00 55.69 53.15 2ens s MET 45 Cb -0.13 -2.32 0.09 0.00 2.01 0.00 0.00 34.83 34.47 2ens s MET 45 CO -0.06 0.56 0.03 0.21 -0.01 0.00 0.00 175.02 175.76 2ens s LYS 46 N -1.46 1.25 -0.76 2.03 2.20 0.51 -3.52 119.74 119.99 2ens s LYS 46 Ca 0.16 -1.32 -0.05 0.00 -0.36 0.00 0.00 55.97 54.40 2ens s LYS 46 Cb -0.11 -2.59 0.01 0.00 -1.51 0.00 0.00 37.83 33.62 2ens s LYS 46 CO 0.07 -0.85 0.63 -0.25 -0.36 0.00 0.00 175.35 174.58 2ens n ASP 47 N 4.59 -4.40 -1.56 1.43 8.00 -1.22 -3.06 116.55 120.34 2ens n ASP 47 Ca -0.03 -0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.07 2ens n ASP 47 Cb 0.43 -3.00 0.01 0.00 -0.02 0.00 0.00 41.12 38.54 2ens n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ens n GLY 48 N -1.32 0.04 3.15 0.44 0.00 -1.26 -5.03 105.19 101.20 2ens n GLY 48 Ca -0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.78 -0.02 0.37 1.61 1.01 -1.17 -5.15 120.40 114.27 2ens s VAL 49 Ca 0.12 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 2ens s VAL 49 Cb -0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 2ens s VAL 49 CO 0.15 0.02 1.20 -2.16 0.00 0.00 0.00 175.10 174.31 2ens s PRO 50 N 0.68 4.17 0.00 2.72 0.04 -1.26 -0.36 135.00 140.98 2ens s PRO 50 Ca -0.04 1.94 0.03 0.00 0.04 0.00 0.00 61.00 62.97 2ens s PRO 50 Cb -0.06 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2ens s PRO 50 CO -0.04 -0.25 -0.07 -0.51 0.04 0.00 0.00 177.00 176.16 2ens s LEU 51 N -2.24 3.15 -1.07 -3.56 1.43 -1.23 -4.89 118.68 110.27 2ens s LEU 51 Ca 0.54 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 53.26 2ens s LEU 51 Cb -0.33 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 2ens s LEU 51 CO 0.43 0.28 1.94 -2.16 0.23 0.00 0.00 176.35 177.07 2ens s PRO 52 N -1.41 2.51 0.06 1.29 0.04 -1.26 -4.86 135.00 131.37 2ens s PRO 52 Ca 0.17 -0.81 -0.23 0.00 0.04 0.00 0.00 61.00 60.16 2ens s PRO 52 Cb -0.11 -5.17 0.06 0.00 0.04 0.00 0.00 34.50 29.32 2ens s PRO 52 CO 0.07 -3.75 0.55 -0.51 0.04 0.00 0.00 177.00 173.41 2ens s LEU 53 N 10.67 -0.22 0.26 -3.56 1.43 -1.26 -5.15 118.68 120.85 2ens s LEU 53 Ca 0.69 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.68 2ens s LEU 53 Cb -0.03 2.25 -0.09 0.00 0.03 0.00 0.00 46.19 48.35 2ens s LEU 53 CO 0.08 -0.76 1.26 -2.16 0.23 0.00 0.00 176.35 174.99 2ens s PRO 54 N -2.59 4.44 -0.51 1.29 0.04 -1.26 -4.95 135.00 131.46 2ens s PRO 54 Ca -0.04 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 2ens s PRO 54 Cb -0.01 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 2ens s PRO 54 CO -0.03 -0.12 1.80 -1.25 0.04 0.00 0.00 177.00 177.44 2ens s PRO 55 N -1.03 2.93 0.04 0.56 0.04 -1.26 -4.97 135.00 131.31 2ens s PRO 55 Ca 0.51 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.47 2ens s PRO 55 Cb -0.36 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 29.86 2ens s PRO 55 CO 0.44 -2.35 -0.12 -1.54 0.04 0.00 0.00 177.00 173.47 2ens s SER 56 N 7.07 1.41 0.00 6.66 1.04 -1.26 -4.78 113.70 123.85 2ens s SER 56 Ca 0.70 -0.46 0.15 0.00 0.48 0.00 0.00 55.95 56.83 2ens s SER 56 Cb -0.16 -0.07 0.90 0.00 0.10 0.00 0.00 66.02 66.79 2ens s SER 56 CO 0.26 -0.02 1.31 -0.81 0.98 0.00 0.00 173.24 174.96 2ens n PRO 57 N 1.85 0.49 -3.51 4.02 -0.04 -1.26 -4.35 135.00 132.19 2ens n PRO 57 Ca -0.19 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 2ens n PRO 57 Cb 0.55 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.22 -0.28 0.52 1.01 -1.26 -2.37 120.40 115.80 2ens s VAL 58 Ca 0.23 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2ens s VAL 58 Cb 0.10 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2ens s VAL 58 CO 0.17 -0.42 0.13 -0.22 0.00 0.00 0.00 175.10 174.77 2ens s LEU 59 N 2.23 3.85 -0.21 3.92 2.96 -0.81 -4.94 118.68 125.68 2ens s LEU 59 Ca 0.07 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 2ens s LEU 59 Cb -0.15 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 2ens s LEU 59 CO -0.23 -0.10 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.06 2ens s ILE 60 N 1.65 3.76 -0.97 6.68 1.09 -1.26 -0.04 121.20 132.12 2ens s ILE 60 Ca 0.06 -0.37 -0.04 0.00 -1.10 0.00 0.00 60.65 59.20 2ens s ILE 60 Cb -0.16 -2.71 0.24 0.00 -1.06 0.00 0.00 42.46 38.76 2ens s ILE 60 CO 0.06 0.41 0.89 -0.22 -0.10 0.00 0.00 174.94 175.99 2ens s LEU 61 N 1.27 5.79 0.47 2.97 2.96 -0.12 -4.95 118.68 127.08 2ens s LEU 61 Ca 0.04 -3.70 -0.23 0.00 -0.22 0.00 0.00 54.13 50.02 2ens s LEU 61 Cb -0.15 -2.00 -0.07 0.00 0.50 0.00 0.00 46.19 44.47 2ens s LEU 61 CO 0.00 -0.21 1.16 -2.16 -1.32 0.00 0.00 176.35 173.82 2ens s PRO 62 N -1.35 3.73 -0.93 0.98 0.04 -1.26 -3.30 135.00 132.91 2ens s PRO 62 Ca 0.29 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2ens s PRO 62 Cb -0.08 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 2ens s PRO 62 CO -0.11 -0.57 0.79 0.39 0.04 0.00 0.00 177.00 177.54 2ens n GLU 63 N -0.55 -3.66 -2.46 4.56 1.02 0.17 -4.94 120.64 114.78 2ens n GLU 63 Ca 0.08 0.71 -0.35 0.00 -0.02 0.00 0.00 57.16 57.58 2ens n GLU 63 Cb 0.48 -5.19 -0.02 0.00 -0.02 0.00 0.00 31.44 26.69 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 -3.31 3.60 0.00 -3.67 1.01 -0.46 -4.75 121.20 113.62 2ens s ILE 64 Ca 0.19 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2ens s ILE 64 Cb -0.02 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2ens s ILE 64 CO 0.61 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2ens n GLY 65 N -0.08 4.97 0.21 6.18 0.00 -1.26 0.23 105.19 115.43 2ens n GLY 65 Ca 0.10 -1.29 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 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 0.43 -0.06 1.61 0.13 -1.97 -3.06 132.00 129.08 2ens h PRO 66 Ca 0.00 -0.23 -0.15 0.00 -0.87 0.00 0.00 66.00 64.76 2ens h PRO 66 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2ens h PRO 66 CO 0.00 0.79 -0.61 -0.56 -0.23 0.00 0.00 178.00 177.39 2ens h GLN 67 N 0.35 0.22 -0.46 0.86 3.07 -2.00 -3.06 115.11 114.09 2ens h GLN 67 Ca 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2ens h GLN 67 Cb 0.92 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.48 2ens h GLN 67 CO 0.08 0.77 0.21 -0.44 0.09 0.00 0.00 178.83 179.54 2ens h ASP 68 N 0.16 0.58 -1.73 0.06 5.19 -1.93 -3.43 116.42 115.33 2ens h ASP 68 Ca -0.01 -0.05 -0.68 0.00 -0.62 0.00 0.00 57.03 55.67 2ens h ASP 68 Cb 1.12 -0.15 0.05 0.00 0.18 0.00 0.00 39.33 40.53 2ens h ASP 68 CO 0.09 0.51 0.56 0.00 -3.12 0.00 0.00 179.24 177.28 2ens n GLN 69 N -4.38 1.27 -3.65 3.56 6.02 -1.16 -4.83 117.38 114.22 2ens n GLN 69 Ca 0.04 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 2ens n GLN 69 Cb 0.13 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.26 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 2.86 -0.77 3.76 1.08 0.00 -1.15 -4.96 105.19 106.01 2ens n GLY 70 Ca 0.19 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 5.05 -0.05 2.61 -4.23 -1.26 -1.12 115.64 113.63 2ens s THR 71 Ca 0.00 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 2ens s THR 71 Cb 0.00 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 70.03 2ens s THR 71 CO 0.00 0.42 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.15 2ens s TYR 72 N -0.06 0.76 -0.00 3.99 2.02 -0.94 -3.41 117.35 119.71 2ens s TYR 72 Ca 0.27 -0.22 -0.26 0.00 -0.37 0.00 0.00 57.07 56.49 2ens s TYR 72 Cb -0.17 -0.72 0.06 0.00 -0.40 0.00 0.00 41.96 40.73 2ens s TYR 72 CO 0.13 -0.24 0.58 0.45 -1.57 0.00 0.00 175.55 174.91 2ens s SER 73 N 1.19 -0.53 0.12 2.29 0.15 -1.23 -2.82 113.70 112.87 2ens s SER 73 Ca -0.07 0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.98 2ens s SER 73 Cb -0.14 0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 64.62 2ens s SER 73 CO -0.01 -0.65 0.33 0.00 1.20 0.00 0.00 173.24 174.10 2ens s VAL 75 N -1.64 2.49 -0.05 0.00 1.01 -1.12 -1.60 120.40 119.49 2ens s VAL 75 Ca 0.39 -2.42 -0.14 0.00 0.00 0.00 0.00 61.98 59.81 2ens s VAL 75 Cb -0.12 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2ens s VAL 75 CO 0.26 -0.64 0.37 0.00 0.00 0.00 0.00 175.10 175.09 2ens s ALA 76 N 0.79 3.68 -0.10 5.51 0.00 -1.16 -3.55 121.76 126.93 2ens s ALA 76 Ca 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 2ens s ALA 76 Cb -0.20 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.59 2ens s ALA 76 CO -0.07 0.38 0.06 -0.08 0.00 0.00 0.00 175.76 176.05 2ens s THR 77 N -0.63 0.06 0.36 0.00 -1.32 -1.26 0.06 115.64 112.91 2ens s THR 77 Ca 0.22 0.07 -0.08 0.00 -1.21 0.00 0.00 61.69 60.70 2ens s THR 77 Cb -0.15 -0.46 0.02 0.00 -1.51 0.00 0.00 72.50 70.40 2ens s THR 77 CO 0.10 0.01 0.59 -1.38 -2.21 0.00 0.00 174.62 171.73 2ens s HIS 78 N 2.09 0.71 0.05 9.09 -3.43 -0.12 -4.49 115.29 119.17 2ens s HIS 78 Ca 0.03 -1.10 -0.19 0.00 -0.80 0.00 0.00 55.06 53.01 2ens s HIS 78 Cb -0.14 0.26 -0.09 0.00 -1.43 0.00 0.00 32.58 31.18 2ens s HIS 78 CO -0.06 -1.29 1.29 0.66 -2.00 0.00 0.00 174.74 173.34 2ens h SER 79 N 2.07 -0.75 -0.82 7.38 4.64 -2.01 -2.75 113.55 121.32 2ens h SER 79 Ca -0.29 0.06 0.14 0.00 -0.47 0.00 0.00 61.79 61.23 2ens h SER 79 Cb 1.24 0.25 -0.14 0.00 -0.31 0.00 0.00 62.40 63.44 2ens h SER 79 CO 0.39 -0.34 -0.26 -1.54 -0.87 0.00 0.00 176.83 174.21 2ens n SER 80 N -3.97 -0.42 -3.82 4.97 3.41 -1.26 -4.31 113.62 108.22 2ens n SER 80 Ca -0.06 1.41 -0.15 0.00 -0.26 0.00 0.00 58.87 59.82 2ens n SER 80 Cb 0.24 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 2ens n SER 80 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2ens s HIS 81 N -5.90 0.12 0.00 7.33 4.02 -1.04 -5.16 115.29 114.66 2ens s HIS 81 Ca -0.12 0.05 0.00 0.00 1.02 0.00 0.00 55.06 56.01 2ens s HIS 81 Cb 0.19 -0.21 0.00 0.00 -1.02 0.00 0.00 32.58 31.54 2ens s HIS 81 CO 0.61 -0.07 0.00 0.41 1.02 0.00 0.00 174.74 176.71 2ens n GLY 82 N 3.75 -2.93 3.56 -2.22 0.00 -1.20 -0.95 105.19 105.21 2ens n GLY 82 Ca -0.22 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 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 2.56 0.65 1.61 0.04 -1.26 -3.82 135.00 134.78 2ens s PRO 83 Ca 0.00 -0.27 -0.00 0.00 0.04 0.00 0.00 61.00 60.77 2ens s PRO 83 Cb 0.00 -5.05 0.13 0.00 0.04 0.00 0.00 34.50 29.62 2ens s PRO 83 CO 0.00 -3.36 0.89 1.04 0.04 0.00 0.00 177.00 175.61 2ens n GLN 84 N 8.86 -0.05 -3.44 4.56 1.13 0.11 -4.95 117.38 123.60 2ens n GLN 84 Ca 0.40 -2.40 -0.02 0.00 -1.94 0.00 0.00 57.00 53.05 2ens n GLN 84 Cb 0.47 -0.60 -0.04 0.00 0.11 0.00 0.00 30.24 30.18 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 -4.81 0.50 1.01 -1.09 2.12 -1.26 -2.97 118.70 112.20 2ens s GLU 85 Ca 0.59 1.12 -0.14 0.00 0.36 0.00 0.00 54.97 56.90 2ens s GLU 85 Cb -0.03 0.51 0.10 0.00 0.26 0.00 0.00 34.13 34.97 2ens s GLU 85 CO 0.39 -0.41 0.50 0.43 -0.54 0.00 0.00 175.26 175.64 2ens n SER 86 N 5.42 -1.70 -4.37 -1.70 7.64 -0.63 -4.90 113.62 113.38 2ens n SER 86 Ca -0.07 0.18 -0.34 0.00 1.01 0.00 0.00 58.87 59.66 2ens n SER 86 Cb 0.50 -1.20 0.10 0.00 -1.01 0.00 0.00 64.21 62.60 2ens n SER 86 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2ens n ARG 87 N -2.59 -0.18 -3.26 1.43 0.00 -1.26 -4.65 116.66 106.15 2ens n ARG 87 Ca 0.06 -0.02 -0.40 0.00 -0.00 0.00 0.00 57.85 57.49 2ens n ARG 87 Cb 0.55 -1.74 -0.08 0.00 -0.00 0.00 0.00 32.46 31.20 2ens n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ens s ALA 88 N -2.29 3.59 -0.26 2.89 0.00 -1.26 -4.61 121.76 119.82 2ens s ALA 88 Ca 0.56 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 2ens s ALA 88 Cb -0.23 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.05 2ens s ALA 88 CO 0.68 -0.71 -0.01 0.54 0.00 0.00 0.00 175.76 176.26 2ens s VAL 89 N 2.24 3.37 -0.46 0.00 0.11 -1.13 -4.94 120.40 119.60 2ens s VAL 89 Ca 0.20 -0.76 -0.26 0.00 -2.93 0.00 0.00 61.98 58.23 2ens s VAL 89 Cb -0.16 -2.67 0.03 0.00 -1.53 0.00 0.00 36.38 32.05 2ens s VAL 89 CO 0.09 0.22 0.97 -0.94 -3.33 0.00 0.00 175.10 172.11 2ens s SER 90 N 1.43 6.54 -0.39 3.54 1.04 -1.26 -2.22 113.70 122.38 2ens s SER 90 Ca 0.03 0.22 -0.29 0.00 0.48 0.00 0.00 55.95 56.39 2ens s SER 90 Cb -0.16 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.51 2ens s SER 90 CO -0.02 -1.07 1.12 -0.63 0.98 0.00 0.00 173.24 173.62 2ens s ILE 91 N 3.86 4.35 0.30 -1.02 -1.09 -0.28 -4.78 121.20 122.54 2ens s ILE 91 Ca 0.39 1.48 0.09 0.00 -2.23 0.00 0.00 60.65 60.38 2ens s ILE 91 Cb -0.10 -4.49 -0.05 0.00 -1.58 0.00 0.00 42.46 36.25 2ens s ILE 91 CO 0.27 -0.72 0.03 -0.44 -1.23 0.00 0.00 174.94 172.84 2ens s SER 92 N 2.09 4.43 0.03 3.58 0.01 -0.91 -2.94 113.70 119.99 2ens s SER 92 Ca 0.47 -0.79 -0.15 0.00 1.31 0.00 0.00 55.95 56.79 2ens s SER 92 Cb -0.10 -0.70 -0.06 0.00 0.21 0.00 0.00 66.02 65.37 2ens s SER 92 CO 0.23 -0.13 0.45 -0.63 0.41 0.00 0.00 173.24 173.56 2ens s ILE 93 N -2.41 4.97 -0.06 1.44 1.01 -1.26 -2.16 121.20 122.73 2ens s ILE 93 Ca 0.34 0.87 -0.06 0.00 0.00 0.00 0.00 60.65 61.80 2ens s ILE 93 Cb -0.04 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2ens s ILE 93 CO 0.20 0.52 0.18 -0.63 0.00 0.00 0.00 174.94 175.22 2ens s ILE 94 N -1.14 5.44 0.22 2.92 1.01 -0.61 -4.85 121.20 124.18 2ens s ILE 94 Ca 0.27 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 2ens s ILE 94 Cb -0.17 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.74 2ens s ILE 94 CO 0.15 0.49 1.02 -1.83 0.00 0.00 0.00 174.94 174.77 2ens s GLU 95 N -1.43 4.72 0.00 2.79 -1.05 -1.26 -4.41 118.70 118.06 2ens s GLU 95 Ca 0.21 1.61 0.16 0.00 -0.15 0.00 0.00 54.97 56.80 2ens s GLU 95 Cb -0.13 -3.27 0.93 0.00 -0.44 0.00 0.00 34.13 31.22 2ens s GLU 95 CO 0.11 0.29 1.34 -0.35 0.95 0.00 0.00 175.26 177.60