#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 4.26 -0.32 1.61 0.01 -1.26 -5.09 113.70 112.90 2ens s SER 2 Ca 0.00 -1.59 -0.18 0.00 1.31 0.00 0.00 55.95 55.49 2ens s SER 2 Cb 0.00 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.89 2ens s SER 2 CO 0.00 -0.30 0.51 -0.55 0.41 0.00 0.00 173.24 173.31 2ens s SER 3 N 1.23 6.34 0.00 2.44 0.15 -1.26 -4.91 113.70 117.69 2ens s SER 3 Ca 0.01 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2ens s SER 3 Cb -0.19 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2ens s SER 3 CO -0.10 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2ens n GLY 4 N 4.69 1.84 0.12 9.45 0.00 -1.26 -5.04 105.19 115.00 2ens n GLY 4 Ca -0.05 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 2ens n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ens n SER 5 N 0.00 1.98 -4.04 1.61 3.41 -1.26 -4.99 113.62 110.33 2ens n SER 5 Ca 0.00 0.28 -0.29 0.00 -0.26 0.00 0.00 58.87 58.60 2ens n SER 5 Cb 0.00 -0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 2ens n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ens n SER 6 N -3.96 -1.54 -0.04 4.04 7.64 -1.26 -4.86 113.62 113.65 2ens n SER 6 Ca -0.37 -0.99 -0.09 0.00 1.01 0.00 0.00 58.87 58.43 2ens n SER 6 Cb 0.87 -3.01 0.06 0.00 -1.01 0.00 0.00 64.21 61.12 2ens n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2ens h GLY 7 N -1.75 0.72 -3.58 0.23 0.00 -2.04 -3.46 103.07 93.20 2ens h GLY 7 Ca -0.62 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 45.90 2ens h GLY 7 CO 0.68 0.67 -0.14 0.48 0.00 0.00 0.00 176.54 178.22 2ens s LEU 8 N -8.59 0.57 -0.08 3.11 -0.00 -1.26 -5.16 118.68 107.26 2ens s LEU 8 Ca -0.08 -0.15 -0.01 0.00 -0.00 0.00 0.00 54.13 53.88 2ens s LEU 8 Cb 0.12 1.63 0.03 0.00 -0.00 0.00 0.00 46.19 47.97 2ens s LEU 8 CO 0.84 -0.70 -0.02 -1.61 -0.00 0.00 0.00 176.35 174.86 2ens s GLU 9 N -2.87 0.89 0.19 1.48 0.41 -1.26 -5.04 118.70 112.50 2ens s GLU 9 Ca -0.03 -0.00 -0.20 0.00 -0.41 0.00 0.00 54.97 54.33 2ens s GLU 9 Cb 0.00 -1.15 0.12 0.00 -1.78 0.00 0.00 34.13 31.32 2ens s GLU 9 CO -0.05 -0.29 1.42 -1.91 -0.49 0.00 0.00 175.26 173.94 2ens n GLU 10 N 5.07 -0.28 -2.47 1.61 4.07 -1.26 -4.27 120.64 123.11 2ens n GLU 10 Ca -0.09 1.40 -0.41 0.00 -0.06 0.00 0.00 57.16 58.00 2ens n GLU 10 Cb 0.50 -2.07 -0.04 0.00 -0.06 0.00 0.00 31.44 29.77 2ens n GLU 10 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ens s VAL 11 N -5.73 3.70 -0.24 6.31 1.01 -1.26 -4.60 120.40 119.59 2ens s VAL 11 Ca -0.12 1.52 -0.09 0.00 0.00 0.00 0.00 61.98 63.29 2ens s VAL 11 Cb 0.16 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2ens s VAL 11 CO 0.62 0.29 0.12 0.00 0.00 0.00 0.00 175.10 176.13 2ens s GLN 12 N -0.65 3.93 -0.45 2.72 -2.07 -1.10 -4.91 119.66 117.13 2ens s GLN 12 Ca 0.49 -0.34 -0.05 0.00 -1.82 0.00 0.00 55.36 53.63 2ens s GLN 12 Cb -0.31 -3.44 0.12 0.00 -1.09 0.00 0.00 33.01 28.29 2ens s GLN 12 CO 0.37 0.00 0.28 -1.17 -1.32 0.00 0.00 175.29 173.46 2ens s LEU 13 N 1.18 5.45 -0.55 2.60 2.96 -1.26 -3.08 118.68 125.97 2ens s LEU 13 Ca 0.06 -2.06 -0.15 0.00 -0.22 0.00 0.00 54.13 51.76 2ens s LEU 13 Cb -0.14 -1.91 0.13 0.00 0.50 0.00 0.00 46.19 44.78 2ens s LEU 13 CO 0.05 -0.59 0.50 -0.69 -1.32 0.00 0.00 176.35 174.30 2ens s VAL 14 N 1.12 5.11 0.49 1.68 1.01 -0.60 -4.97 120.40 124.24 2ens s VAL 14 Ca 0.08 -1.60 -0.13 0.00 0.00 0.00 0.00 61.98 60.33 2ens s VAL 14 Cb -0.24 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 2ens s VAL 14 CO -0.03 -0.87 0.90 0.68 0.00 0.00 0.00 175.10 175.78 2ens s VAL 15 N 1.48 4.66 -0.10 2.92 -7.23 -1.26 -2.03 120.40 118.85 2ens s VAL 15 Ca 0.04 0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 61.12 2ens s VAL 15 Cb -0.28 -3.75 0.03 0.00 0.56 0.00 0.00 36.38 32.93 2ens s VAL 15 CO 0.02 -0.69 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.37 2ens s GLU 16 N -4.16 1.22 0.80 4.82 2.12 -0.53 -1.97 118.70 121.00 2ens s GLU 16 Ca 0.55 -0.14 -0.11 0.00 0.36 0.00 0.00 54.97 55.63 2ens s GLU 16 Cb -0.10 -1.36 0.07 0.00 0.26 0.00 0.00 34.13 33.00 2ens s GLU 16 CO 0.35 -0.26 1.09 -1.25 -0.54 0.00 0.00 175.26 174.65 2ens s PRO 17 N 1.73 2.05 -0.70 4.30 0.04 -1.26 -1.38 135.00 139.77 2ens s PRO 17 Ca 0.04 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.96 2ens s PRO 17 Cb -0.13 -1.88 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 2ens s PRO 17 CO -0.07 -1.77 1.90 -1.91 0.04 0.00 0.00 177.00 175.19 2ens n GLU 18 N -3.60 1.38 0.00 4.56 2.13 -0.83 -3.03 120.64 121.25 2ens n GLU 18 Ca 0.09 -1.73 0.00 0.00 0.66 0.00 0.00 57.16 56.18 2ens n GLU 18 Cb 0.53 -2.84 0.00 0.00 0.27 0.00 0.00 31.44 29.40 2ens n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ens n GLY 19 N 4.52 0.19 1.32 8.31 0.00 -1.26 -5.04 105.19 113.22 2ens n GLY 19 Ca 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.04 0.89 3.14 -0.02 0.00 -1.17 -5.07 105.19 101.92 2ens n GLY 20 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.14 -0.81 0.06 4.61 0.00 -1.26 -3.42 121.76 118.80 2ens s ALA 21 Ca 0.00 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 2ens s ALA 21 Cb 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 2ens s ALA 21 CO 0.00 -0.44 0.13 0.14 0.00 0.00 0.00 175.76 175.59 2ens s VAL 22 N 1.86 0.15 0.97 0.00 -7.23 -1.15 -4.84 120.40 110.16 2ens s VAL 22 Ca -0.05 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 2ens s VAL 22 Cb -0.11 -1.22 0.17 0.00 0.56 0.00 0.00 36.38 35.78 2ens s VAL 22 CO -0.11 -0.69 1.09 0.00 -0.31 0.00 0.00 175.10 175.09 2ens s ALA 23 N -3.44 1.00 -1.06 1.32 0.00 -1.26 -1.60 121.76 116.71 2ens s ALA 23 Ca 0.02 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 2ens s ALA 23 Cb 0.03 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 2ens s ALA 23 CO -0.09 -2.86 1.94 -1.25 0.00 0.00 0.00 175.76 173.51 2ens s PRO 24 N -4.72 2.51 0.00 0.00 0.04 -1.26 -2.58 135.00 129.00 2ens s PRO 24 Ca 0.66 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.90 2ens s PRO 24 Cb -0.21 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.16 2ens s PRO 24 CO 0.59 -3.73 0.00 0.41 0.04 0.00 0.00 177.00 174.31 2ens n GLY 25 N 6.25 1.05 0.00 0.56 0.00 0.19 -4.93 105.19 108.32 2ens n GLY 25 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2ens n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ens n GLY 26 N 0.00 1.43 2.71 -0.02 0.00 -1.07 -4.38 105.19 103.88 2ens n GLY 26 Ca 0.00 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 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 1.80 -0.28 -0.06 2.61 2.01 -1.26 -0.03 115.64 120.44 2ens s THR 27 Ca 0.00 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 2ens s THR 27 Cb 0.00 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 2ens s THR 27 CO 0.00 -0.28 0.33 -0.69 -0.69 0.00 0.00 174.62 173.29 2ens s VAL 28 N 2.28 5.19 -0.32 3.82 1.01 -1.17 -4.75 120.40 126.46 2ens s VAL 28 Ca 0.07 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.73 2ens s VAL 28 Cb -0.16 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.69 2ens s VAL 28 CO -0.15 0.55 0.02 -0.89 0.00 0.00 0.00 175.10 174.63 2ens s THR 29 N -0.79 2.12 -0.15 3.92 2.01 -0.48 -0.21 115.64 122.05 2ens s THR 29 Ca 0.21 -2.10 -0.19 0.00 0.31 0.00 0.00 61.69 59.91 2ens s THR 29 Cb -0.15 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2ens s THR 29 CO 0.10 -0.48 0.55 -0.76 -0.69 0.00 0.00 174.62 173.33 2ens s LEU 30 N 1.01 4.21 -0.09 4.42 1.02 0.24 -1.46 118.68 128.04 2ens s LEU 30 Ca 0.07 0.82 0.04 0.00 0.02 0.00 0.00 54.13 55.08 2ens s LEU 30 Cb -0.19 -2.79 -0.00 0.00 0.02 0.00 0.00 46.19 43.23 2ens s LEU 30 CO -0.09 -0.13 -0.23 -0.89 0.02 0.00 0.00 176.35 175.04 2ens s THR 31 N 1.23 2.19 -0.04 5.49 2.01 -0.86 -0.33 115.64 125.33 2ens s THR 31 Ca 0.27 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.32 2ens s THR 31 Cb -0.16 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.52 2ens s THR 31 CO 0.11 0.56 -0.12 0.00 -0.69 0.00 0.00 174.62 174.48 2ens s GLU 33 N 0.23 1.31 -0.01 0.00 0.41 -1.18 -4.64 118.70 114.82 2ens s GLU 33 Ca -0.05 -1.34 0.02 0.00 -0.41 0.00 0.00 54.97 53.19 2ens s GLU 33 Cb -0.11 0.38 -0.00 0.00 -1.78 0.00 0.00 34.13 32.62 2ens s GLU 33 CO 0.02 -0.49 -0.08 0.08 -0.49 0.00 0.00 175.26 174.29 2ens s VAL 34 N -4.04 0.66 -0.02 2.63 1.01 -1.26 -2.71 120.40 116.67 2ens s VAL 34 Ca 0.25 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 2ens s VAL 34 Cb 0.03 -0.57 -0.20 0.00 0.00 0.00 0.00 36.38 35.64 2ens s VAL 34 CO 0.07 0.19 1.23 1.55 0.00 0.00 0.00 175.10 178.14 2ens h PRO 35 N 6.06 -0.05 -0.42 2.72 0.13 -1.97 -3.30 132.00 135.17 2ens h PRO 35 Ca -0.31 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 2ens h PRO 35 Cb 1.18 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2ens h PRO 35 CO 0.49 0.43 0.04 0.00 -0.23 0.00 0.00 178.00 178.73 2ens h ALA 36 N 0.39 0.56 -3.17 -0.56 0.00 -1.97 -3.42 119.26 111.09 2ens h ALA 36 Ca -0.01 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.06 2ens h ALA 36 Cb 0.49 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.01 2ens h ALA 36 CO 0.01 0.31 -0.44 -1.14 0.00 0.00 0.00 179.25 177.99 2ens s GLN 37 N -5.10 4.18 -0.02 0.00 2.00 -1.24 -5.01 119.66 114.47 2ens s GLN 37 Ca -0.13 -0.13 -0.24 0.00 -2.00 0.00 0.00 55.36 52.85 2ens s GLN 37 Cb 0.10 -3.45 -0.18 0.00 0.80 0.00 0.00 33.01 30.28 2ens s GLN 37 CO 0.79 0.22 1.16 -1.00 -0.50 0.00 0.00 175.29 175.96 2ens h PRO 38 N 6.88 -0.15 -2.05 1.67 0.13 -1.82 -3.35 132.00 133.32 2ens h PRO 38 Ca -0.40 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.17 2ens h PRO 38 Cb 1.16 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 2ens h PRO 38 CO 0.74 0.28 -0.98 0.43 -0.23 0.00 0.00 178.00 178.23 2ens n SER 39 N -4.94 1.08 -3.03 1.44 7.64 -1.26 -4.80 113.62 109.74 2ens n SER 39 Ca -0.09 -2.88 -0.15 0.00 1.01 0.00 0.00 58.87 56.76 2ens n SER 39 Cb 0.26 -0.65 0.13 0.00 -1.01 0.00 0.00 64.21 62.93 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 1.27 -2.09 -3.00 1.43 -0.04 -1.26 -4.95 135.00 126.35 2ens n PRO 40 Ca 0.23 -0.88 -0.44 0.00 -0.04 0.00 0.00 63.50 62.37 2ens n PRO 40 Cb 0.50 -0.82 -0.04 0.00 -0.04 0.00 0.00 33.50 33.10 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 -4.25 3.25 -0.07 0.54 0.74 -1.25 -5.00 119.66 113.63 2ens s GLN 41 Ca 0.36 -1.36 -0.30 0.00 0.05 0.00 0.00 55.36 54.11 2ens s GLN 41 Cb -0.04 -4.44 -0.02 0.00 1.10 0.00 0.00 33.01 29.61 2ens s GLN 41 CO 0.27 -1.68 1.05 0.42 -0.55 0.00 0.00 175.29 174.81 2ens s ILE 42 N 2.95 4.64 0.48 -2.34 -1.09 -1.25 -3.77 121.20 120.82 2ens s ILE 42 Ca 0.21 1.91 0.02 0.00 -2.23 0.00 0.00 60.65 60.57 2ens s ILE 42 Cb -0.16 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 2ens s ILE 42 CO 0.02 0.04 0.01 -1.00 -1.23 0.00 0.00 174.94 172.78 2ens s HIS 43 N 1.82 1.98 -0.18 3.97 3.76 -0.95 -3.32 115.29 122.37 2ens s HIS 43 Ca 0.51 -0.93 -0.04 0.00 -0.15 0.00 0.00 55.06 54.45 2ens s HIS 43 Cb -0.21 -1.61 0.08 0.00 1.11 0.00 0.00 32.58 31.95 2ens s HIS 43 CO 0.21 0.23 0.18 -1.58 -0.85 0.00 0.00 174.74 172.93 2ens s TRP 44 N -2.88 -0.15 0.10 1.40 0.52 -1.26 -3.70 118.94 112.98 2ens s TRP 44 Ca 0.13 0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.47 2ens s TRP 44 Cb 0.03 -0.42 -0.04 0.00 -1.15 0.00 0.00 33.47 31.89 2ens s TRP 44 CO 0.07 -0.53 -0.03 -1.64 0.02 0.00 0.00 176.95 174.84 2ens s MET 45 N 2.28 2.42 -0.32 4.98 -1.94 -1.00 -3.42 119.30 122.29 2ens s MET 45 Ca 0.05 -0.92 -0.01 0.00 -1.71 0.00 0.00 55.69 53.10 2ens s MET 45 Cb -0.15 -2.46 0.11 0.00 2.01 0.00 0.00 34.83 34.34 2ens s MET 45 CO -0.10 0.52 0.13 0.21 -0.01 0.00 0.00 175.02 175.77 2ens s LYS 46 N -2.36 0.58 -1.21 2.03 2.20 -0.59 -2.72 119.74 117.67 2ens s LYS 46 Ca 0.25 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 2ens s LYS 46 Cb -0.11 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.51 2ens s LYS 46 CO 0.17 -1.03 0.00 -3.47 -0.36 0.00 0.00 175.35 170.66 2ens n ASP 47 N 4.79 -4.25 0.00 1.43 2.03 -1.23 -2.53 116.55 116.80 2ens n ASP 47 Ca -0.01 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2ens n ASP 47 Cb 0.41 -3.18 0.00 0.00 -0.72 0.00 0.00 41.12 37.63 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 -1.20 2.72 3.61 0.27 0.00 -1.26 -5.03 105.19 104.29 2ens n GLY 48 Ca -0.14 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 2ens n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ens s VAL 49 N -2.08 5.30 1.00 1.61 0.11 -1.05 -5.02 120.40 120.27 2ens s VAL 49 Ca 0.00 0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 59.17 2ens s VAL 49 Cb 0.00 -3.55 0.19 0.00 -1.53 0.00 0.00 36.38 31.49 2ens s VAL 49 CO 0.00 0.26 1.09 -2.16 -3.33 0.00 0.00 175.10 170.96 2ens s PRO 50 N 1.63 0.41 0.15 1.54 0.04 -1.26 -1.54 135.00 135.98 2ens s PRO 50 Ca 0.08 0.52 0.08 0.00 0.04 0.00 0.00 61.00 61.73 2ens s PRO 50 Cb -0.15 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2ens s PRO 50 CO 0.09 -2.74 -0.11 -0.51 0.04 0.00 0.00 177.00 173.77 2ens s LEU 51 N -6.47 2.95 -1.18 -3.56 1.43 -1.22 -4.83 118.68 105.81 2ens s LEU 51 Ca 0.65 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 2ens s LEU 51 Cb -0.19 -1.69 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 2ens s LEU 51 CO 0.58 0.14 1.94 -2.16 0.23 0.00 0.00 176.35 177.07 2ens s PRO 52 N -2.54 2.49 0.03 1.29 0.04 -1.26 -4.85 135.00 130.20 2ens s PRO 52 Ca 0.23 -1.14 -0.19 0.00 0.04 0.00 0.00 61.00 59.94 2ens s PRO 52 Cb -0.10 -5.24 0.04 0.00 0.04 0.00 0.00 34.50 29.25 2ens s PRO 52 CO 0.14 -3.97 0.44 -0.51 0.04 0.00 0.00 177.00 173.14 2ens s LEU 53 N 11.02 0.29 0.26 -3.56 1.43 -1.26 -5.15 118.68 121.70 2ens s LEU 53 Ca 0.68 0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 53.58 2ens s LEU 53 Cb -0.01 1.82 -0.09 0.00 0.03 0.00 0.00 46.19 47.94 2ens s LEU 53 CO 0.13 -0.65 1.26 -2.16 0.23 0.00 0.00 176.35 175.16 2ens s PRO 54 N -2.27 4.43 -0.40 1.29 0.04 -1.26 -4.95 135.00 131.88 2ens s PRO 54 Ca -0.06 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 2ens s PRO 54 Cb -0.01 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 2ens s PRO 54 CO -0.01 -0.13 1.73 -1.25 0.04 0.00 0.00 177.00 177.38 2ens s PRO 55 N -0.94 3.26 0.05 0.56 0.04 -1.26 -4.98 135.00 131.73 2ens s PRO 55 Ca 0.52 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.75 2ens s PRO 55 Cb -0.37 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 29.95 2ens s PRO 55 CO 0.44 -1.95 -0.08 -1.54 0.04 0.00 0.00 177.00 173.91 2ens s SER 56 N 5.98 0.94 0.00 6.66 1.04 -1.21 -4.66 113.70 122.45 2ens s SER 56 Ca 0.74 -0.64 0.13 0.00 0.48 0.00 0.00 55.95 56.65 2ens s SER 56 Cb -0.19 0.04 0.77 0.00 0.10 0.00 0.00 66.02 66.75 2ens s SER 56 CO 0.31 -0.25 1.20 -0.81 0.98 0.00 0.00 173.24 174.67 2ens n PRO 57 N 1.16 0.49 -3.54 4.02 -0.04 -1.26 -4.40 135.00 131.42 2ens n PRO 57 Ca -0.21 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.03 2ens n PRO 57 Cb 0.56 -1.41 -0.15 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.29 0.52 1.01 -1.26 -2.39 120.40 115.77 2ens s VAL 58 Ca 0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 2ens s VAL 58 Cb 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2ens s VAL 58 CO 0.15 -0.27 0.09 -0.22 0.00 0.00 0.00 175.10 174.85 2ens s LEU 59 N 2.24 3.85 -0.25 3.92 2.96 0.56 -4.94 118.68 127.02 2ens s LEU 59 Ca 0.05 -0.65 -0.09 0.00 -0.22 0.00 0.00 54.13 53.22 2ens s LEU 59 Cb -0.16 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2ens s LEU 59 CO -0.13 -0.18 0.11 -0.63 -1.32 0.00 0.00 176.35 174.21 2ens s ILE 60 N 1.52 4.77 -0.86 6.68 1.09 -1.26 -0.59 121.20 132.56 2ens s ILE 60 Ca 0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.57 2ens s ILE 60 Cb -0.17 -3.24 0.25 0.00 -1.06 0.00 0.00 42.46 38.24 2ens s ILE 60 CO 0.03 0.33 0.92 -0.11 -0.10 0.00 0.00 174.94 176.00 2ens n LEU 61 N 4.75 4.53 -4.77 2.97 7.94 0.70 -4.96 117.00 128.15 2ens n LEU 61 Ca -0.15 -5.25 -0.36 0.00 -1.11 0.00 0.00 56.01 49.14 2ens n LEU 61 Cb 0.52 -0.99 -0.00 0.00 0.53 0.00 0.00 43.42 43.47 2ens n LEU 61 CO 0.32 1.75 0.80 -2.16 -1.11 0.00 0.00 177.39 176.99 2ens s PRO 62 N -2.04 3.47 -1.10 1.96 0.04 -1.26 -3.07 135.00 133.00 2ens s PRO 62 Ca 0.32 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 2ens s PRO 62 Cb 0.02 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2ens s PRO 62 CO -0.04 -0.76 0.94 0.39 0.04 0.00 0.00 177.00 177.56 2ens n GLU 63 N -1.07 -4.35 -2.33 4.56 1.02 0.96 -4.95 120.64 114.48 2ens n GLU 63 Ca 0.10 0.84 -0.38 0.00 -0.02 0.00 0.00 57.16 57.71 2ens n GLU 63 Cb 0.50 -5.77 -0.02 0.00 -0.02 0.00 0.00 31.44 26.13 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 -3.37 3.25 0.00 -3.67 1.01 -0.81 -4.80 121.20 112.81 2ens s ILE 64 Ca 0.22 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2ens s ILE 64 Cb -0.03 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2ens s ILE 64 CO 0.72 0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.34 2ens n GLY 65 N 0.58 5.19 0.18 6.18 0.00 -1.26 0.55 105.19 116.60 2ens n GLY 65 Ca 0.05 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 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 0.13 0.00 1.61 0.13 -1.97 -2.91 132.00 128.98 2ens h PRO 66 Ca 0.00 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 2ens h PRO 66 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2ens h PRO 66 CO 0.00 0.58 -0.44 1.96 -0.23 0.00 0.00 178.00 179.87 2ens h GLN 67 N 0.10 0.00 -0.15 0.86 1.08 -2.00 -3.18 115.11 111.82 2ens h GLN 67 Ca 0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 2ens h GLN 67 Cb 0.88 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 2ens h GLN 67 CO 0.07 0.44 -0.43 -0.44 -0.95 0.00 0.00 178.83 177.52 2ens h ASP 68 N 0.00 0.36 -2.02 1.46 5.19 -1.91 -3.45 116.42 116.07 2ens h ASP 68 Ca -0.00 -0.16 -0.64 0.00 -0.62 0.00 0.00 57.03 55.61 2ens h ASP 68 Cb 1.22 -0.10 0.10 0.00 0.18 0.00 0.00 39.33 40.72 2ens h ASP 68 CO 0.06 0.75 0.10 0.00 -3.12 0.00 0.00 179.24 177.03 2ens n GLN 69 N -4.01 1.06 -3.67 3.56 6.02 -1.20 -4.88 117.38 114.26 2ens n GLN 69 Ca -0.02 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 2ens n GLN 69 Cb 0.50 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 30.01 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 1.67 -2.52 3.74 1.08 0.00 -1.09 -4.94 105.19 103.14 2ens n GLY 70 Ca 0.13 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.00 4.39 -0.05 2.61 -4.23 -1.26 -0.97 115.64 114.13 2ens s THR 71 Ca 0.00 2.01 0.03 0.00 -1.18 0.00 0.00 61.69 62.55 2ens s THR 71 Cb 0.00 -4.29 0.01 0.00 1.34 0.00 0.00 72.50 69.56 2ens s THR 71 CO 0.00 0.39 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.03 2ens s TYR 72 N -0.42 1.41 0.24 3.99 1.51 0.38 -3.50 117.35 120.97 2ens s TYR 72 Ca 0.44 -0.46 -0.05 0.00 -1.01 0.00 0.00 57.07 55.98 2ens s TYR 72 Cb -0.24 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2ens s TYR 72 CO 0.30 -0.22 0.31 0.45 -1.11 0.00 0.00 175.55 175.28 2ens s SER 73 N 0.43 0.25 -0.01 2.29 0.15 -1.10 -1.76 113.70 113.96 2ens s SER 73 Ca -0.10 -1.25 0.01 0.00 0.70 0.00 0.00 55.95 55.31 2ens s SER 73 Cb -0.13 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2ens s SER 73 CO 0.03 -1.02 -0.03 0.00 1.20 0.00 0.00 173.24 173.41 2ens s VAL 75 N 0.03 3.63 -0.47 0.00 1.01 -1.24 -1.92 120.40 121.44 2ens s VAL 75 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2ens s VAL 75 Cb -0.03 -2.58 0.14 0.00 0.00 0.00 0.00 36.38 33.92 2ens s VAL 75 CO -0.00 0.40 0.27 0.00 0.00 0.00 0.00 175.10 175.76 2ens s ALA 76 N -0.99 2.33 0.66 5.51 0.00 -1.25 -2.23 121.76 125.79 2ens s ALA 76 Ca 0.17 -2.74 -0.04 0.00 0.00 0.00 0.00 51.96 49.35 2ens s ALA 76 Cb -0.11 -1.91 0.06 0.00 0.00 0.00 0.00 23.12 21.16 2ens s ALA 76 CO 0.07 -2.06 0.94 -0.08 0.00 0.00 0.00 175.76 174.64 2ens s THR 77 N 0.13 2.38 0.06 0.00 -1.32 -1.25 -3.45 115.64 112.20 2ens s THR 77 Ca 0.19 -0.42 -0.12 0.00 -1.21 0.00 0.00 61.69 60.13 2ens s THR 77 Cb -0.21 -2.96 0.04 0.00 -1.51 0.00 0.00 72.50 67.86 2ens s THR 77 CO -0.02 0.00 0.56 0.00 -2.21 0.00 0.00 174.62 172.95 2ens n HIS 78 N -2.75 -0.77 -0.31 9.09 1.44 -1.26 -3.75 115.22 116.91 2ens n HIS 78 Ca 0.09 -0.56 0.13 0.00 -2.01 0.00 0.00 57.72 55.37 2ens n HIS 78 Cb 0.60 0.27 0.31 0.00 0.12 0.00 0.00 29.99 31.29 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 1.00 0.41 -0.08 4.39 4.64 -2.00 0.98 113.55 122.89 2ens h SER 79 Ca -0.13 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2ens h SER 79 Cb 0.60 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2ens h SER 79 CO 0.18 0.04 0.00 -0.24 -0.87 0.00 0.00 176.83 175.94 2ens n SER 80 N -5.00 1.69 -3.76 4.97 2.88 -1.26 -4.87 113.62 108.26 2ens n SER 80 Ca 0.22 -2.13 -0.23 0.00 -1.33 0.00 0.00 58.87 55.40 2ens n SER 80 Cb 0.64 -0.53 -0.02 0.00 -0.75 0.00 0.00 64.21 63.55 2ens n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ens n HIS 81 N 0.09 -0.78 -3.05 0.66 -0.00 0.34 -4.82 115.22 107.65 2ens n HIS 81 Ca 0.04 0.20 -0.33 0.00 -0.00 0.00 0.00 57.72 57.63 2ens n HIS 81 Cb 0.39 -1.65 -0.03 0.00 -0.00 0.00 0.00 29.99 28.70 2ens n HIS 81 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ens n GLY 82 N -1.79 5.38 3.60 -1.39 0.00 -1.26 -4.88 105.19 104.84 2ens n GLY 82 Ca -0.13 -2.73 -0.43 0.00 0.00 0.00 0.00 46.02 42.74 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 -3.19 3.35 -1.04 1.61 0.04 -1.22 -4.57 135.00 129.98 2ens s PRO 83 Ca 0.41 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 2ens s PRO 83 Cb 0.18 -4.17 0.21 0.00 0.04 0.00 0.00 34.50 30.75 2ens s PRO 83 CO -0.05 -1.84 1.13 -0.65 0.04 0.00 0.00 177.00 175.63 2ens s GLN 84 N 5.57 3.92 -0.19 4.56 -1.52 -1.23 -4.79 119.66 125.99 2ens s GLN 84 Ca 0.75 -2.59 -0.29 0.00 -1.95 0.00 0.00 55.36 51.28 2ens s GLN 84 Cb -0.20 -4.74 -0.05 0.00 -0.22 0.00 0.00 33.01 27.80 2ens s GLN 84 CO 0.33 -1.50 2.02 -2.00 -0.25 0.00 0.00 175.29 173.88 2ens s GLU 85 N 0.62 3.45 1.31 2.91 2.12 -1.26 -4.31 118.70 123.55 2ens s GLU 85 Ca 0.32 1.99 -0.19 0.00 0.36 0.00 0.00 54.97 57.45 2ens s GLU 85 Cb -0.07 -4.26 0.33 0.00 0.26 0.00 0.00 34.13 30.39 2ens s GLU 85 CO -0.06 -1.74 0.97 -1.12 -0.54 0.00 0.00 175.26 172.77 2ens s SER 86 N 6.65 -0.20 0.39 -1.70 0.01 -0.81 -4.94 113.70 113.10 2ens s SER 86 Ca 0.91 1.10 -0.26 0.00 1.31 0.00 0.00 55.95 59.00 2ens s SER 86 Cb -0.32 -1.64 -0.09 0.00 0.21 0.00 0.00 66.02 64.19 2ens s SER 86 CO 0.35 -4.87 1.26 -0.13 0.41 0.00 0.00 173.24 170.26 2ens s ARG 87 N -4.84 4.07 -0.31 12.44 0.52 -1.26 -4.66 118.95 124.90 2ens s ARG 87 Ca 0.69 2.06 -0.29 0.00 -0.52 0.00 0.00 55.73 57.66 2ens s ARG 87 Cb -0.18 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.52 2ens s ARG 87 CO 0.61 -0.38 1.07 0.00 0.02 0.00 0.00 175.30 176.62 2ens s ALA 88 N -1.28 3.51 -0.21 2.13 0.00 -1.26 -4.61 121.76 120.03 2ens s ALA 88 Ca 0.55 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 2ens s ALA 88 Cb -0.36 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.05 2ens s ALA 88 CO 0.46 -1.45 0.12 0.54 0.00 0.00 0.00 175.76 175.44 2ens s VAL 89 N 3.61 5.21 -0.41 0.00 0.11 -0.72 -4.79 120.40 123.40 2ens s VAL 89 Ca 0.45 0.12 -0.22 0.00 -2.93 0.00 0.00 61.98 59.41 2ens s VAL 89 Cb -0.12 -3.39 0.02 0.00 -1.53 0.00 0.00 36.38 31.35 2ens s VAL 89 CO 0.15 0.40 0.71 -0.94 -3.33 0.00 0.00 175.10 172.09 2ens s SER 90 N 0.69 6.41 -0.27 3.54 1.04 -1.26 -0.47 113.70 123.38 2ens s SER 90 Ca 0.07 -0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.21 2ens s SER 90 Cb -0.12 -2.36 -0.00 0.00 0.10 0.00 0.00 66.02 63.64 2ens s SER 90 CO 0.01 -0.78 0.80 -0.63 0.98 0.00 0.00 173.24 173.63 2ens s ILE 91 N 3.00 4.82 0.30 -1.02 -1.09 -0.15 -4.87 121.20 122.20 2ens s ILE 91 Ca 0.27 1.40 0.11 0.00 -2.23 0.00 0.00 60.65 60.20 2ens s ILE 91 Cb -0.13 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 2ens s ILE 91 CO 0.19 -0.14 -0.17 -0.44 -1.23 0.00 0.00 174.94 173.16 2ens s SER 92 N 1.46 3.61 -0.09 3.58 0.01 -1.22 -2.66 113.70 118.39 2ens s SER 92 Ca 0.33 -1.08 -0.18 0.00 1.31 0.00 0.00 55.95 56.34 2ens s SER 92 Cb -0.15 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.73 2ens s SER 92 CO 0.09 -0.04 0.47 -0.63 0.41 0.00 0.00 173.24 173.54 2ens s ILE 93 N -2.55 5.14 0.24 1.44 1.01 -1.26 -2.93 121.20 122.28 2ens s ILE 93 Ca 0.31 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.61 2ens s ILE 93 Cb -0.03 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 2ens s ILE 93 CO 0.15 0.38 0.91 -0.63 0.00 0.00 0.00 174.94 175.76 2ens s ILE 94 N 0.22 4.14 -0.28 2.92 1.01 -0.63 -4.93 121.20 123.65 2ens s ILE 94 Ca 0.25 1.99 -0.11 0.00 0.00 0.00 0.00 60.65 62.78 2ens s ILE 94 Cb -0.16 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 2ens s ILE 94 CO 0.11 0.46 0.19 -1.83 0.00 0.00 0.00 174.94 173.87 2ens s GLU 95 N -1.29 3.96 0.00 2.79 1.03 -1.26 -4.49 118.70 119.44 2ens s GLU 95 Ca 0.41 -0.31 0.16 0.00 0.03 0.00 0.00 54.97 55.26 2ens s GLU 95 Cb -0.25 -3.65 0.94 0.00 -0.80 0.00 0.00 34.13 30.37 2ens s GLU 95 CO 0.30 -0.17 1.35 -0.35 -1.33 0.00 0.00 175.26 175.06