#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 4.55 0.34 1.61 0.01 -1.26 -5.15 113.70 113.80 2ens s SER 2 Ca 0.00 -0.60 0.07 0.00 1.31 0.00 0.00 55.95 56.73 2ens s SER 2 Cb 0.00 -0.86 -0.07 0.00 0.21 0.00 0.00 66.02 65.30 2ens s SER 2 CO 0.00 0.03 -0.04 -0.44 0.41 0.00 0.00 173.24 173.20 2ens s SER 3 N -3.47 3.28 0.18 2.44 0.01 -1.26 -5.16 113.70 109.72 2ens s SER 3 Ca 0.30 -1.26 -0.05 0.00 1.31 0.00 0.00 55.95 56.25 2ens s SER 3 Cb -0.07 -0.27 0.02 0.00 0.21 0.00 0.00 66.02 65.91 2ens s SER 3 CO 0.19 -0.36 0.33 0.61 0.41 0.00 0.00 173.24 174.43 2ens n GLY 4 N -0.75 1.89 3.37 3.44 0.00 -1.26 -4.93 105.19 106.94 2ens n GLY 4 Ca -0.05 -1.25 -0.45 0.00 0.00 0.00 0.00 46.02 44.27 2ens n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ens s SER 5 N -2.02 7.20 -0.32 1.61 0.01 -1.26 -5.00 113.70 113.92 2ens s SER 5 Ca 0.10 -3.33 -0.14 0.00 1.31 0.00 0.00 55.95 53.89 2ens s SER 5 Cb -0.02 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2ens s SER 5 CO 0.07 -0.45 0.29 -0.94 0.41 0.00 0.00 173.24 172.63 2ens s SER 6 N 1.84 6.12 0.00 2.44 1.04 -1.26 -4.66 113.70 119.22 2ens s SER 6 Ca 0.33 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2ens s SER 6 Cb -0.08 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2ens s SER 6 CO -0.06 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2ens n GLY 7 N 4.98 -0.89 3.74 7.32 0.00 -1.26 -5.14 105.19 113.93 2ens n GLY 7 Ca -0.11 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 2ens n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ens s LEU 8 N 0.00 2.92 -0.63 0.99 2.01 -1.26 -5.09 118.68 117.62 2ens s LEU 8 Ca 0.00 -1.22 -0.16 0.00 0.01 0.00 0.00 54.13 52.76 2ens s LEU 8 Cb 0.00 -1.23 0.16 0.00 0.01 0.00 0.00 46.19 45.12 2ens s LEU 8 CO 0.00 -0.63 0.60 -1.83 1.01 0.00 0.00 176.35 175.49 2ens s GLU 9 N -3.91 3.19 -0.08 1.70 1.03 -1.26 -4.88 118.70 114.48 2ens s GLU 9 Ca 0.35 -1.92 -0.08 0.00 0.03 0.00 0.00 54.97 53.34 2ens s GLU 9 Cb 0.04 -4.34 -0.03 0.00 -0.80 0.00 0.00 34.13 29.00 2ens s GLU 9 CO 0.19 -1.33 -0.16 0.39 -1.33 0.00 0.00 175.26 173.02 2ens n GLU 10 N 4.93 0.25 -4.60 -4.83 -0.58 -1.26 -5.00 120.64 109.54 2ens n GLU 10 Ca -0.05 0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.45 2ens n GLU 10 Cb 0.42 -0.93 -0.11 0.00 -0.57 0.00 0.00 31.44 30.25 2ens n GLU 10 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ens s VAL 11 N -1.89 3.74 -0.75 2.62 1.01 -1.26 -4.58 120.40 119.29 2ens s VAL 11 Ca -0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2ens s VAL 11 Cb 0.02 -2.54 0.20 0.00 0.00 0.00 0.00 36.38 34.06 2ens s VAL 11 CO 0.20 0.59 0.66 -1.58 0.00 0.00 0.00 175.10 174.97 2ens s GLN 12 N -0.71 3.30 -0.77 2.72 0.74 -1.26 -5.00 119.66 118.69 2ens s GLN 12 Ca 0.11 -2.39 -0.11 0.00 0.05 0.00 0.00 55.36 53.02 2ens s GLN 12 Cb -0.11 -4.25 0.20 0.00 1.10 0.00 0.00 33.01 29.95 2ens s GLN 12 CO 0.02 -1.27 0.67 -1.17 -0.55 0.00 0.00 175.29 173.00 2ens s LEU 13 N 0.27 6.33 -0.47 3.68 2.96 -1.26 -3.65 118.68 126.54 2ens s LEU 13 Ca 0.16 -2.74 -0.17 0.00 -0.22 0.00 0.00 54.13 51.17 2ens s LEU 13 Cb -0.14 -2.11 0.05 0.00 0.50 0.00 0.00 46.19 44.49 2ens s LEU 13 CO -0.07 -0.52 0.47 -0.69 -1.32 0.00 0.00 176.35 174.23 2ens s VAL 14 N 0.10 5.10 0.40 1.68 1.01 -0.95 -4.95 120.40 122.79 2ens s VAL 14 Ca 0.18 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2ens s VAL 14 Cb -0.13 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2ens s VAL 14 CO -0.07 -0.59 0.58 0.68 0.00 0.00 0.00 175.10 175.69 2ens s VAL 15 N 2.04 4.09 -0.11 2.92 -7.23 -1.26 -2.17 120.40 118.69 2ens s VAL 15 Ca 0.09 -0.71 -0.03 0.00 -1.81 0.00 0.00 61.98 59.52 2ens s VAL 15 Cb -0.21 -3.47 0.05 0.00 0.56 0.00 0.00 36.38 33.31 2ens s VAL 15 CO 0.10 -0.27 0.10 -1.61 -0.31 0.00 0.00 175.10 173.11 2ens s GLU 16 N -4.39 0.01 1.00 4.82 2.02 -0.74 -2.93 118.70 118.51 2ens s GLU 16 Ca 0.46 0.21 -0.12 0.00 0.02 0.00 0.00 54.97 55.54 2ens s GLU 16 Cb -0.10 -1.05 0.19 0.00 0.10 0.00 0.00 34.13 33.27 2ens s GLU 16 CO 0.35 -0.48 1.09 -1.25 0.02 0.00 0.00 175.26 174.99 2ens s PRO 17 N 2.18 0.38 0.06 0.39 0.04 -1.26 -2.81 135.00 133.99 2ens s PRO 17 Ca 0.04 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 61.29 2ens s PRO 17 Cb -0.14 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 2ens s PRO 17 CO -0.06 -2.76 1.45 0.93 0.04 0.00 0.00 177.00 176.59 2ens h GLU 18 N -1.92 -0.86 -0.99 4.56 5.08 -1.92 -2.50 114.58 116.04 2ens h GLU 18 Ca -0.55 0.06 0.41 0.00 -1.00 0.00 0.00 59.36 58.28 2ens h GLU 18 Cb 1.33 0.20 -0.17 0.00 0.50 0.00 0.00 28.75 30.61 2ens h GLU 18 CO 0.58 -0.57 0.54 0.41 -1.00 0.00 0.00 179.01 178.97 2ens n GLY 19 N -1.48 -0.73 0.29 -3.84 0.00 -1.26 -4.75 105.19 93.42 2ens n GLY 19 Ca -0.11 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -1.27 1.29 2.96 -0.02 0.00 -0.94 -4.96 105.19 102.24 2ens n GLY 20 Ca 0.37 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.10 -0.31 0.05 4.61 0.00 -1.26 -2.99 121.76 119.75 2ens s ALA 21 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 2ens s ALA 21 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2ens s ALA 21 CO 0.00 -0.14 -0.00 0.14 0.00 0.00 0.00 175.76 175.75 2ens s VAL 22 N 0.97 0.19 0.99 0.00 -7.23 -1.03 -4.63 120.40 109.67 2ens s VAL 22 Ca -0.07 -1.59 -0.12 0.00 -1.81 0.00 0.00 61.98 58.39 2ens s VAL 22 Cb -0.09 -1.30 0.15 0.00 0.56 0.00 0.00 36.38 35.69 2ens s VAL 22 CO -0.05 -0.88 0.87 0.00 -0.31 0.00 0.00 175.10 174.72 2ens n ALA 23 N 0.33 -1.87 -2.07 1.32 0.00 -1.26 -2.13 120.51 114.83 2ens n ALA 23 Ca -0.16 -0.74 -0.28 0.00 0.00 0.00 0.00 53.44 52.26 2ens n ALA 23 Cb 0.60 -2.02 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 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 -4.27 2.49 0.00 0.00 0.04 -1.26 -2.57 135.00 129.43 2ens s PRO 24 Ca 0.64 -1.15 0.00 0.00 0.04 0.00 0.00 61.00 60.53 2ens s PRO 24 Cb -0.22 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.08 2ens s PRO 24 CO 0.62 -3.98 0.00 0.41 0.04 0.00 0.00 177.00 174.09 2ens n GLY 25 N 5.83 0.56 0.00 0.56 0.00 1.00 -4.91 105.19 108.22 2ens n GLY 25 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 1.97 2.80 -0.02 0.00 -1.06 -4.54 105.19 104.34 2ens n GLY 26 Ca 0.00 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.87 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 2.49 -0.28 -0.11 2.61 2.01 -1.26 -0.64 115.64 120.45 2ens s THR 27 Ca 0.00 0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.08 2ens s THR 27 Cb 0.00 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 2ens s THR 27 CO 0.00 -0.02 0.10 -0.69 -0.69 0.00 0.00 174.62 173.32 2ens s VAL 28 N 2.30 5.16 -0.22 3.82 1.01 -1.17 -4.80 120.40 126.51 2ens s VAL 28 Ca 0.04 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2ens s VAL 28 Cb -0.14 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.05 2ens s VAL 28 CO -0.08 0.61 -0.15 -0.89 0.00 0.00 0.00 175.10 174.58 2ens s THR 29 N -0.95 2.14 -0.32 3.92 2.01 -1.12 -0.08 115.64 121.24 2ens s THR 29 Ca 0.14 -1.26 -0.06 0.00 0.31 0.00 0.00 61.69 60.82 2ens s THR 29 Cb -0.12 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.35 2ens s THR 29 CO 0.03 0.27 0.09 -0.76 -0.69 0.00 0.00 174.62 173.56 2ens s LEU 30 N 1.21 4.09 -0.15 4.42 1.02 0.66 -1.78 118.68 128.14 2ens s LEU 30 Ca -0.01 -0.95 -0.06 0.00 0.02 0.00 0.00 54.13 53.13 2ens s LEU 30 Cb -0.16 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.14 2ens s LEU 30 CO -0.09 -0.26 0.05 -0.89 0.02 0.00 0.00 176.35 175.17 2ens s THR 31 N 1.44 4.65 -0.19 5.49 2.01 -0.92 -0.38 115.64 127.74 2ens s THR 31 Ca 0.00 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 2ens s THR 31 Cb -0.18 -3.06 0.07 0.00 0.01 0.00 0.00 72.50 69.34 2ens s THR 31 CO 0.02 0.51 0.08 0.00 -0.69 0.00 0.00 174.62 174.54 2ens s GLU 33 N 2.03 1.25 0.16 0.00 -1.05 -1.24 -4.57 118.70 115.28 2ens s GLU 33 Ca 0.02 -0.23 -0.26 0.00 -0.15 0.00 0.00 54.97 54.34 2ens s GLU 33 Cb -0.16 -1.16 -0.08 0.00 -0.44 0.00 0.00 34.13 32.29 2ens s GLU 33 CO -0.12 -0.07 0.81 0.08 0.95 0.00 0.00 175.26 176.91 2ens s VAL 34 N 0.96 4.36 0.00 1.83 1.01 -1.25 -4.05 120.40 123.27 2ens s VAL 34 Ca -0.10 1.78 -0.23 0.00 0.00 0.00 0.00 61.98 63.43 2ens s VAL 34 Cb -0.15 -4.18 -0.18 0.00 0.00 0.00 0.00 36.38 31.88 2ens s VAL 34 CO 0.00 0.49 1.30 1.55 0.00 0.00 0.00 175.10 178.44 2ens h PRO 35 N 4.51 0.16 -0.42 2.72 0.13 -1.97 -3.28 132.00 133.83 2ens h PRO 35 Ca -0.46 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 64.49 2ens h PRO 35 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2ens h PRO 35 CO 0.67 0.60 -0.13 0.00 -0.23 0.00 0.00 178.00 178.91 2ens h ALA 36 N 0.55 0.59 -3.06 -0.56 0.00 -1.94 -3.42 119.26 111.43 2ens h ALA 36 Ca 0.01 -0.34 -0.63 0.00 0.00 0.00 0.00 54.91 53.95 2ens h ALA 36 Cb 0.57 -0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.04 2ens h ALA 36 CO 0.02 0.50 -0.54 -0.65 0.00 0.00 0.00 179.25 178.57 2ens s GLN 37 N -4.75 3.96 -0.02 0.00 -1.52 -1.24 -5.00 119.66 111.09 2ens s GLN 37 Ca -0.12 -0.33 -0.25 0.00 -1.95 0.00 0.00 55.36 52.71 2ens s GLN 37 Cb 0.11 -3.46 -0.20 0.00 -0.22 0.00 0.00 33.01 29.24 2ens s GLN 37 CO 0.83 0.01 1.23 -1.00 -0.25 0.00 0.00 175.29 176.11 2ens h PRO 38 N 7.65 -0.06 -2.07 2.91 0.13 -1.82 -3.34 132.00 135.41 2ens h PRO 38 Ca -0.37 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.24 2ens h PRO 38 Cb 1.17 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2ens h PRO 38 CO 0.63 0.40 -1.03 -1.13 -0.23 0.00 0.00 178.00 176.65 2ens n SER 39 N -4.89 1.65 -3.30 1.44 3.41 -1.26 -4.82 113.62 105.84 2ens n SER 39 Ca -0.08 -3.11 -0.23 0.00 -0.26 0.00 0.00 58.87 55.18 2ens n SER 39 Cb 0.25 -0.62 0.19 0.00 -0.26 0.00 0.00 64.21 63.78 2ens n SER 39 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ens n PRO 40 N 0.44 -2.66 -2.74 4.33 -0.04 -1.26 -4.93 135.00 128.13 2ens n PRO 40 Ca 0.26 -1.33 -0.42 0.00 -0.04 0.00 0.00 63.50 61.96 2ens n PRO 40 Cb 0.56 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 -4.89 3.35 0.13 0.54 1.11 -1.25 -4.95 119.66 113.69 2ens s GLN 41 Ca 0.54 -0.99 -0.27 0.00 0.01 0.00 0.00 55.36 54.66 2ens s GLN 41 Cb -0.05 -4.63 -0.07 0.00 -1.01 0.00 0.00 33.01 27.24 2ens s GLN 41 CO 0.42 -1.97 0.83 0.42 0.01 0.00 0.00 175.29 175.00 2ens s ILE 42 N 4.30 4.47 0.08 1.08 -1.09 -1.25 -3.55 121.20 125.25 2ens s ILE 42 Ca 0.33 1.80 0.01 0.00 -2.23 0.00 0.00 60.65 60.56 2ens s ILE 42 Cb -0.08 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 2ens s ILE 42 CO 0.02 0.43 -0.06 -1.00 -1.23 0.00 0.00 174.94 173.10 2ens s HIS 43 N -0.59 0.79 -0.17 3.97 3.76 -0.87 -4.17 115.29 117.99 2ens s HIS 43 Ca 0.39 -0.89 -0.00 0.00 -0.15 0.00 0.00 55.06 54.41 2ens s HIS 43 Cb -0.23 -0.47 0.04 0.00 1.11 0.00 0.00 32.58 33.03 2ens s HIS 43 CO 0.27 -0.19 -0.05 -1.58 -0.85 0.00 0.00 174.74 172.34 2ens s TRP 44 N -3.40 1.77 0.18 1.40 0.52 -1.26 -2.22 118.94 115.93 2ens s TRP 44 Ca 0.08 -1.15 0.06 0.00 0.02 0.00 0.00 56.10 55.10 2ens s TRP 44 Cb 0.04 -1.35 -0.04 0.00 -1.15 0.00 0.00 33.47 30.98 2ens s TRP 44 CO -0.05 -0.63 0.13 -1.64 0.02 0.00 0.00 176.95 174.78 2ens s MET 45 N 1.61 2.86 -0.31 4.98 -1.94 -1.11 -3.57 119.30 121.82 2ens s MET 45 Ca 0.00 -0.92 -0.02 0.00 -1.71 0.00 0.00 55.69 53.04 2ens s MET 45 Cb -0.16 -2.60 0.10 0.00 2.01 0.00 0.00 34.83 34.18 2ens s MET 45 CO -0.08 0.47 0.12 0.21 -0.01 0.00 0.00 175.02 175.73 2ens s LYS 46 N -3.21 0.56 -1.59 2.03 2.20 0.63 -3.50 119.74 116.86 2ens s LYS 46 Ca 0.31 -0.96 -0.04 0.00 -0.36 0.00 0.00 55.97 54.92 2ens s LYS 46 Cb -0.10 -1.69 0.01 0.00 -1.51 0.00 0.00 37.83 34.54 2ens s LYS 46 CO 0.23 -1.02 0.51 -3.47 -0.36 0.00 0.00 175.35 171.25 2ens n ASP 47 N 4.86 -6.05 0.00 1.43 -0.08 -1.25 -1.52 116.55 113.94 2ens n ASP 47 Ca -0.02 -0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 2ens n ASP 47 Cb 0.41 -4.91 0.00 0.00 2.34 0.00 0.00 41.12 38.96 2ens n ASP 47 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ens n GLY 48 N -1.44 2.93 3.67 0.27 0.00 -1.26 -5.02 105.19 104.34 2ens n GLY 48 Ca -0.13 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.56 5.35 0.97 1.61 0.11 -0.58 -5.05 120.40 120.26 2ens s VAL 49 Ca 0.00 0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 59.11 2ens s VAL 49 Cb 0.00 -3.49 0.17 0.00 -1.53 0.00 0.00 36.38 31.53 2ens s VAL 49 CO 0.00 0.36 1.09 -2.16 -3.33 0.00 0.00 175.10 171.06 2ens s PRO 50 N 0.97 0.67 0.14 1.54 0.04 -1.26 -0.27 135.00 136.84 2ens s PRO 50 Ca 0.08 0.61 0.11 0.00 0.04 0.00 0.00 61.00 61.83 2ens s PRO 50 Cb -0.13 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2ens s PRO 50 CO 0.04 -2.59 -0.25 -0.51 0.04 0.00 0.00 177.00 173.72 2ens s LEU 51 N -6.39 2.35 -1.14 -3.56 1.43 -1.23 -4.78 118.68 105.35 2ens s LEU 51 Ca 0.65 -0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 2ens s LEU 51 Cb -0.18 -1.16 -0.08 0.00 0.03 0.00 0.00 46.19 44.79 2ens s LEU 51 CO 0.57 0.15 1.94 -2.16 0.23 0.00 0.00 176.35 177.08 2ens s PRO 52 N -2.22 2.51 0.03 1.29 0.04 -1.26 -4.86 135.00 130.53 2ens s PRO 52 Ca 0.15 -1.03 -0.20 0.00 0.04 0.00 0.00 61.00 59.97 2ens s PRO 52 Cb -0.09 -5.21 0.04 0.00 0.04 0.00 0.00 34.50 29.27 2ens s PRO 52 CO 0.07 -3.88 0.45 -0.51 0.04 0.00 0.00 177.00 173.16 2ens s LEU 53 N 10.86 0.26 0.28 -3.56 1.43 -1.26 -5.15 118.68 121.54 2ens s LEU 53 Ca 0.69 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 2ens s LEU 53 Cb -0.02 1.83 -0.10 0.00 0.03 0.00 0.00 46.19 47.94 2ens s LEU 53 CO 0.11 -0.64 1.25 -2.16 0.23 0.00 0.00 176.35 175.14 2ens s PRO 54 N -2.22 4.44 -0.70 1.29 0.04 -1.26 -4.94 135.00 131.66 2ens s PRO 54 Ca -0.07 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.77 2ens s PRO 54 Cb -0.01 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 2ens s PRO 54 CO -0.00 -0.10 1.89 -1.25 0.04 0.00 0.00 177.00 177.58 2ens s PRO 55 N -1.17 2.60 0.13 0.56 0.04 -1.26 -4.95 135.00 130.95 2ens s PRO 55 Ca 0.50 0.34 0.06 0.00 0.04 0.00 0.00 61.00 61.94 2ens s PRO 55 Cb -0.37 -4.59 -0.04 0.00 0.04 0.00 0.00 34.50 29.54 2ens s PRO 55 CO 0.45 -2.93 -0.14 -1.54 0.04 0.00 0.00 177.00 172.88 2ens s SER 56 N 8.10 2.06 0.50 6.66 1.04 -1.26 -4.63 113.70 126.17 2ens s SER 56 Ca 0.68 -0.84 0.28 0.00 0.48 0.00 0.00 55.95 56.55 2ens s SER 56 Cb -0.11 -0.07 1.19 0.00 0.10 0.00 0.00 66.02 67.13 2ens s SER 56 CO 0.14 -0.15 1.93 1.55 0.98 0.00 0.00 173.24 177.69 2ens h PRO 57 N 3.39 0.00 -4.71 4.02 0.13 -1.93 -3.40 132.00 129.50 2ens h PRO 57 Ca -0.40 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.04 2ens h PRO 57 Cb 1.20 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.01 2ens h PRO 57 CO 0.52 0.13 -0.65 0.08 -0.23 0.00 0.00 178.00 177.84 2ens s VAL 58 N -3.75 3.29 -0.32 1.56 1.01 -1.26 -0.26 120.40 120.66 2ens s VAL 58 Ca 0.00 -1.36 -0.06 0.00 0.00 0.00 0.00 61.98 60.56 2ens s VAL 58 Cb 0.10 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.60 2ens s VAL 58 CO 0.59 -0.19 0.08 -0.22 0.00 0.00 0.00 175.10 175.36 2ens s LEU 59 N 1.29 4.12 -0.14 3.92 2.96 0.49 -4.95 118.68 126.37 2ens s LEU 59 Ca -0.03 -1.07 -0.06 0.00 -0.22 0.00 0.00 54.13 52.75 2ens s LEU 59 Cb -0.20 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2ens s LEU 59 CO -0.00 -0.28 0.09 -0.63 -1.32 0.00 0.00 176.35 174.21 2ens s ILE 60 N 1.40 5.08 -0.69 6.68 1.01 -1.26 -0.24 121.20 133.17 2ens s ILE 60 Ca -0.01 0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.74 2ens s ILE 60 Cb -0.19 -3.23 0.21 0.00 0.01 0.00 0.00 42.46 39.26 2ens s ILE 60 CO 0.02 0.55 0.65 -0.11 0.00 0.00 0.00 174.94 176.05 2ens n LEU 61 N 2.62 3.50 -4.75 2.97 -0.00 0.88 -4.96 117.00 117.25 2ens n LEU 61 Ca -0.18 -5.33 -0.31 0.00 -0.00 0.00 0.00 56.01 50.19 2ens n LEU 61 Cb 0.54 -0.73 0.10 0.00 -0.00 0.00 0.00 43.42 43.33 2ens n LEU 61 CO 0.32 1.90 0.69 -2.16 -0.00 0.00 0.00 177.39 178.15 2ens s PRO 62 N -2.00 1.99 -1.27 1.96 0.04 -1.26 -3.05 135.00 131.41 2ens s PRO 62 Ca 0.33 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 2ens s PRO 62 Cb 0.05 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 2ens s PRO 62 CO -0.09 -1.80 0.62 0.39 0.04 0.00 0.00 177.00 176.16 2ens n GLU 63 N -3.62 -2.31 -2.42 4.56 1.02 0.19 -4.91 120.64 113.14 2ens n GLU 63 Ca 0.09 0.43 -0.36 0.00 -0.02 0.00 0.00 57.16 57.29 2ens n GLU 63 Cb 0.54 -4.29 -0.03 0.00 -0.02 0.00 0.00 31.44 27.64 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 -3.69 3.47 0.00 -3.67 1.01 -1.14 -4.80 121.20 112.37 2ens s ILE 64 Ca 0.24 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2ens s ILE 64 Cb -0.09 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2ens s ILE 64 CO 0.87 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.38 2ens n GLY 65 N 0.27 4.43 0.22 6.18 0.00 -1.26 -0.00 105.19 115.03 2ens n GLY 65 Ca 0.07 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 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 0.55 -0.03 1.61 0.13 -1.97 -3.05 132.00 129.25 2ens h PRO 66 Ca 0.00 -0.29 -0.18 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.88 -0.79 -0.56 -0.23 0.00 0.00 178.00 177.30 2ens h GLN 67 N 0.45 0.25 -0.24 0.86 3.07 -2.00 -3.14 115.11 114.36 2ens h GLN 67 Ca 0.03 -0.23 -0.04 0.00 0.09 0.00 0.00 58.65 58.50 2ens h GLN 67 Cb 0.94 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.54 2ens h GLN 67 CO 0.08 0.91 -0.04 -0.44 0.09 0.00 0.00 178.83 179.44 2ens h ASP 68 N 0.15 0.34 -1.72 0.06 5.19 -1.93 -3.44 116.42 115.07 2ens h ASP 68 Ca -0.03 -0.06 -0.67 0.00 -0.62 0.00 0.00 57.03 55.64 2ens h ASP 68 Cb 1.38 -0.09 0.06 0.00 0.18 0.00 0.00 39.33 40.86 2ens h ASP 68 CO 0.12 0.43 0.38 0.00 -3.12 0.00 0.00 179.24 177.05 2ens n GLN 69 N -4.31 1.10 -3.51 3.56 6.02 -1.16 -4.84 117.38 114.24 2ens n GLN 69 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2ens n GLN 69 Cb 0.23 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.51 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 2.33 -0.73 3.75 1.08 0.00 -1.17 -4.97 105.19 105.48 2ens n GLY 70 Ca 0.17 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 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 5.41 -0.11 2.61 -4.23 -1.26 -1.02 115.64 114.04 2ens s THR 71 Ca 0.00 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.75 2ens s THR 71 Cb 0.00 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.38 2ens s THR 71 CO 0.00 0.46 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.08 2ens s TYR 72 N 0.19 1.95 0.05 3.99 2.02 -0.20 -3.76 117.35 121.59 2ens s TYR 72 Ca 0.10 -0.94 -0.03 0.00 -0.37 0.00 0.00 57.07 55.83 2ens s TYR 72 Cb -0.11 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 2ens s TYR 72 CO -0.01 -0.50 0.02 0.45 -1.57 0.00 0.00 175.55 173.94 2ens s SER 73 N 1.10 0.34 0.08 2.29 0.15 -1.23 -1.66 113.70 114.77 2ens s SER 73 Ca -0.04 -0.78 0.09 0.00 0.70 0.00 0.00 55.95 55.92 2ens s SER 73 Cb -0.14 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 2ens s SER 73 CO -0.03 -0.54 -0.23 0.00 1.20 0.00 0.00 173.24 173.64 2ens s VAL 75 N -0.98 1.70 -0.05 0.00 1.01 -0.94 -2.15 120.40 118.98 2ens s VAL 75 Ca 0.14 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 2ens s VAL 75 Cb -0.10 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.78 2ens s VAL 75 CO 0.06 -0.03 0.10 0.00 0.00 0.00 0.00 175.10 175.22 2ens s ALA 76 N -1.12 -0.02 0.53 5.51 0.00 -1.25 -2.06 121.76 123.35 2ens s ALA 76 Ca 0.06 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.49 2ens s ALA 76 Cb -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.49 2ens s ALA 76 CO 0.04 -0.35 0.26 0.95 0.00 0.00 0.00 175.76 176.66 2ens s THR 77 N 1.72 1.54 0.04 0.00 -4.23 -1.23 -3.39 115.64 110.08 2ens s THR 77 Ca -0.02 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 2ens s THR 77 Cb -0.12 -2.20 0.04 0.00 1.34 0.00 0.00 72.50 71.56 2ens s THR 77 CO -0.04 0.00 0.58 0.00 -0.54 0.00 0.00 174.62 174.62 2ens n HIS 78 N -1.57 -0.61 -0.30 3.99 1.44 -1.26 -3.97 115.22 112.93 2ens n HIS 78 Ca -0.07 -0.50 0.14 0.00 -2.01 0.00 0.00 57.72 55.28 2ens n HIS 78 Cb 0.65 0.24 0.31 0.00 0.12 0.00 0.00 29.99 31.31 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 0.06 1.51 4.39 4.64 -2.01 1.41 113.55 124.54 2ens h SER 79 Ca -0.12 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2ens h SER 79 Cb 0.60 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2ens h SER 79 CO 0.17 -0.15 0.00 0.28 -0.87 0.00 0.00 176.83 176.26 2ens h SER 80 N 0.22 0.00 -4.69 4.97 0.02 -2.03 -3.47 113.55 108.57 2ens h SER 80 Ca 0.57 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.31 2ens h SER 80 Cb 1.17 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.84 2ens h SER 80 CO -0.65 0.00 -0.58 1.57 -1.14 0.00 0.00 176.83 176.03 2ens n HIS 81 N -2.87 -1.67 -3.50 3.45 -0.00 0.48 -4.98 115.22 106.14 2ens n HIS 81 Ca 0.03 0.65 -0.42 0.00 0.46 0.00 0.00 57.72 58.44 2ens n HIS 81 Cb 0.42 -3.99 -0.06 0.00 -0.12 0.00 0.00 29.99 26.23 2ens n HIS 81 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2ens s GLY 82 N -3.68 2.35 -0.86 1.57 0.00 -1.26 -4.86 107.32 100.58 2ens s GLY 82 Ca 0.14 -2.95 -0.25 0.00 0.00 0.00 0.00 44.72 41.66 2ens s GLY 82 CO 0.53 1.16 1.93 2.56 0.00 0.00 0.00 173.10 179.29 2ens s PRO 83 N 0.68 2.57 -0.07 2.90 0.04 -1.25 -4.49 135.00 135.38 2ens s PRO 83 Ca 0.12 -0.16 -0.00 0.00 0.04 0.00 0.00 61.00 60.99 2ens s PRO 83 Cb -0.20 -4.97 0.05 0.00 0.04 0.00 0.00 34.50 29.42 2ens s PRO 83 CO -0.03 -3.29 1.99 1.04 0.04 0.00 0.00 177.00 176.75 2ens n GLN 84 N 8.90 1.18 -1.64 4.56 1.13 -1.22 -4.91 117.38 125.38 2ens n GLN 84 Ca 0.37 -0.34 -0.64 0.00 -1.94 0.00 0.00 57.00 54.45 2ens n GLN 84 Cb 0.48 -1.14 -0.09 0.00 0.11 0.00 0.00 30.24 29.60 2ens n GLN 84 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2ens n GLU 85 N 1.23 0.00 -1.39 -1.09 2.13 -1.26 -4.78 120.64 115.48 2ens n GLU 85 Ca 0.07 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.59 2ens n GLU 85 Cb 0.52 -1.46 0.21 0.00 0.27 0.00 0.00 31.44 30.98 2ens n GLU 85 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2ens s SER 86 N 2.26 1.99 0.45 4.31 1.04 -0.91 -5.00 113.70 117.84 2ens s SER 86 Ca 0.99 0.61 -0.23 0.00 0.48 0.00 0.00 55.95 57.79 2ens s SER 86 Cb -1.41 -0.87 -0.07 0.00 0.10 0.00 0.00 66.02 63.77 2ens s SER 86 CO 0.74 -3.46 1.18 0.00 0.98 0.00 0.00 173.24 172.69 2ens s ARG 87 N -5.50 3.78 -0.02 4.02 1.04 -1.26 -4.71 118.95 116.31 2ens s ARG 87 Ca 0.70 1.83 -0.30 0.00 -1.04 0.00 0.00 55.73 56.93 2ens s ARG 87 Cb -0.09 -2.46 -0.05 0.00 -2.04 0.00 0.00 34.95 30.30 2ens s ARG 87 CO 0.55 -0.55 1.38 0.00 -0.04 0.00 0.00 175.30 176.65 2ens s ALA 88 N -1.49 3.58 -0.29 7.88 0.00 -1.26 -4.70 121.76 125.47 2ens s ALA 88 Ca 0.62 0.83 -0.10 0.00 0.00 0.00 0.00 51.96 53.32 2ens s ALA 88 Cb -0.30 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.20 2ens s ALA 88 CO 0.37 -0.93 0.15 0.08 0.00 0.00 0.00 175.76 175.42 2ens s VAL 89 N 2.51 4.76 -0.50 0.00 1.01 -0.67 -4.86 120.40 122.65 2ens s VAL 89 Ca 0.63 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 2ens s VAL 89 Cb -0.30 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2ens s VAL 89 CO 0.25 0.18 0.94 -0.94 0.00 0.00 0.00 175.10 175.54 2ens s SER 90 N 1.66 6.43 -0.47 3.32 1.04 -1.26 -1.03 113.70 123.39 2ens s SER 90 Ca 0.06 -0.08 -0.25 0.00 0.48 0.00 0.00 55.95 56.16 2ens s SER 90 Cb -0.16 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.54 2ens s SER 90 CO 0.07 -1.14 0.91 -0.63 0.98 0.00 0.00 173.24 173.43 2ens s ILE 91 N 3.88 4.49 0.30 -1.02 -1.09 -0.19 -4.79 121.20 122.78 2ens s ILE 91 Ca 0.34 0.63 0.10 0.00 -2.23 0.00 0.00 60.65 59.49 2ens s ILE 91 Cb -0.11 -4.43 -0.05 0.00 -1.58 0.00 0.00 42.46 36.29 2ens s ILE 91 CO 0.23 -0.86 -0.03 -0.55 -1.23 0.00 0.00 174.94 172.51 2ens s SER 92 N 2.32 4.23 0.00 3.58 0.15 -1.16 -3.04 113.70 119.79 2ens s SER 92 Ca 0.35 -0.85 -0.17 0.00 0.70 0.00 0.00 55.95 55.98 2ens s SER 92 Cb -0.11 -0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 63.53 2ens s SER 92 CO 0.25 -0.09 0.47 -0.63 1.20 0.00 0.00 173.24 174.43 2ens s ILE 93 N -2.44 4.97 0.05 6.45 1.01 -1.26 -2.45 121.20 127.53 2ens s ILE 93 Ca 0.33 0.97 -0.18 0.00 0.00 0.00 0.00 60.65 61.76 2ens s ILE 93 Cb -0.04 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 2ens s ILE 93 CO 0.19 0.53 0.53 -0.63 0.00 0.00 0.00 174.94 175.56 2ens s ILE 94 N -0.81 4.83 0.02 2.92 1.01 -0.91 -4.89 121.20 123.38 2ens s ILE 94 Ca 0.26 1.12 -0.09 0.00 0.00 0.00 0.00 60.65 61.93 2ens s ILE 94 Cb -0.17 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 2ens s ILE 94 CO 0.14 0.55 0.33 -1.83 0.00 0.00 0.00 174.94 174.13 2ens s GLU 95 N -1.04 3.68 0.00 2.79 4.04 -1.26 -4.50 118.70 122.41 2ens s GLU 95 Ca 0.28 0.08 0.16 0.00 0.04 0.00 0.00 54.97 55.52 2ens s GLU 95 Cb -0.19 -3.08 0.93 0.00 0.02 0.00 0.00 34.13 31.81 2ens s GLU 95 CO 0.17 0.63 1.34 -0.35 -1.84 0.00 0.00 175.26 175.22