#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 3.11 -0.04 1.61 0.15 -1.26 -5.08 113.70 112.19 2ens s SER 2 Ca 0.00 -1.46 -0.30 0.00 0.70 0.00 0.00 55.95 54.89 2ens s SER 2 Cb 0.00 0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.28 2ens s SER 2 CO 0.00 -0.65 1.44 -0.55 1.20 0.00 0.00 173.24 174.67 2ens s SER 3 N -3.63 6.82 -0.15 5.45 0.15 -1.26 -4.97 113.70 116.11 2ens s SER 3 Ca 0.29 2.07 -0.29 0.00 0.70 0.00 0.00 55.95 58.72 2ens s SER 3 Cb 0.07 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2ens s SER 3 CO 0.14 -0.78 1.10 -0.83 1.20 0.00 0.00 173.24 174.07 2ens s GLY 4 N 2.25 1.94 0.09 9.45 0.00 -1.26 -5.01 107.32 114.78 2ens s GLY 4 Ca 0.64 0.36 -0.17 0.00 0.00 0.00 0.00 44.72 45.55 2ens s GLY 4 CO 0.25 2.17 0.41 -0.56 0.00 0.00 0.00 173.10 175.37 2ens s SER 5 N 1.36 -0.26 0.41 1.64 0.01 -1.26 -5.18 113.70 110.41 2ens s SER 5 Ca 0.49 -0.17 0.06 0.00 1.31 0.00 0.00 55.95 57.64 2ens s SER 5 Cb -0.19 0.45 -0.07 0.00 0.21 0.00 0.00 66.02 66.43 2ens s SER 5 CO 0.14 -0.77 0.02 -0.44 0.41 0.00 0.00 173.24 172.59 2ens s SER 6 N -2.45 3.67 0.00 2.44 0.01 -1.26 -5.10 113.70 111.01 2ens s SER 6 Ca -0.01 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 55.85 2ens s SER 6 Cb 0.01 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2ens s SER 6 CO -0.08 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2ens n GLY 7 N -0.96 -0.64 2.19 3.44 0.00 -1.26 -5.07 105.19 102.90 2ens n GLY 7 Ca -0.06 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 2ens n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ens n LEU 8 N 0.00 0.00 -3.69 0.99 7.99 -1.26 -5.14 117.00 115.89 2ens n LEU 8 Ca 0.00 -1.42 -0.11 0.00 -0.01 0.00 0.00 56.01 54.48 2ens n LEU 8 Cb 0.00 -0.23 -0.10 0.00 -0.11 0.00 0.00 43.42 42.98 2ens n LEU 8 CO 0.00 -0.61 0.11 -1.83 -1.51 0.00 0.00 177.39 173.55 2ens s GLU 9 N -3.46 0.46 0.06 3.23 -1.05 -1.26 -5.07 118.70 111.61 2ens s GLU 9 Ca 0.33 0.81 -0.34 0.00 -0.15 0.00 0.00 54.97 55.62 2ens s GLU 9 Cb -0.03 0.06 -0.18 0.00 -0.44 0.00 0.00 34.13 33.54 2ens s GLU 9 CO 0.21 -0.14 1.52 0.93 0.95 0.00 0.00 175.26 178.73 2ens h GLU 10 N 6.74 -1.10 -6.11 -4.83 3.07 -2.01 -3.41 114.58 106.94 2ens h GLU 10 Ca -0.34 0.08 -0.69 0.00 -0.50 0.00 0.00 59.36 57.90 2ens h GLU 10 Cb 1.19 0.25 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 2ens h GLU 10 CO 0.26 -0.73 1.14 0.28 -1.40 0.00 0.00 179.01 178.56 2ens n VAL 11 N -5.33 0.31 -3.27 3.13 0.31 -1.26 -4.88 118.33 107.33 2ens n VAL 11 Ca -0.14 -0.14 -0.46 0.00 -0.01 0.00 0.00 64.34 63.60 2ens n VAL 11 Cb 0.47 -1.47 -0.01 0.00 -0.91 0.00 0.00 33.84 31.92 2ens n VAL 11 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2ens s GLN 12 N 4.71 3.90 -0.75 5.55 0.74 -1.25 -4.89 119.66 127.68 2ens s GLN 12 Ca 1.02 -2.75 -0.26 0.00 0.05 0.00 0.00 55.36 53.43 2ens s GLN 12 Cb -0.94 -4.57 -0.05 0.00 1.10 0.00 0.00 33.01 28.55 2ens s GLN 12 CO 0.57 -1.34 2.00 -1.17 -0.55 0.00 0.00 175.29 174.80 2ens s LEU 13 N -0.16 3.20 -0.42 3.68 2.96 -1.26 -4.45 118.68 122.23 2ens s LEU 13 Ca 0.26 -0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.96 2ens s LEU 13 Cb -0.09 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 44.10 2ens s LEU 13 CO -0.08 -2.73 0.31 -0.69 -1.32 0.00 0.00 176.35 171.84 2ens s VAL 14 N 10.33 4.98 0.40 1.68 1.01 0.81 -4.91 120.40 134.70 2ens s VAL 14 Ca 0.73 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2ens s VAL 14 Cb -0.10 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2ens s VAL 14 CO 0.10 -0.41 0.60 0.68 0.00 0.00 0.00 175.10 176.07 2ens s VAL 15 N 1.61 4.19 -0.10 2.92 -7.23 -1.26 0.21 120.40 120.74 2ens s VAL 15 Ca 0.04 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2ens s VAL 15 Cb -0.21 -3.52 0.03 0.00 0.56 0.00 0.00 36.38 33.24 2ens s VAL 15 CO 0.07 -0.32 -0.01 -1.61 -0.31 0.00 0.00 175.10 172.92 2ens s GLU 16 N -4.42 0.80 0.64 4.82 2.02 -1.00 -1.47 118.70 120.09 2ens s GLU 16 Ca 0.46 -0.04 -0.16 0.00 0.02 0.00 0.00 54.97 55.26 2ens s GLU 16 Cb -0.10 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.87 2ens s GLU 16 CO 0.36 -0.34 1.11 -1.25 0.02 0.00 0.00 175.26 175.16 2ens s PRO 17 N 1.90 2.88 0.30 0.39 0.04 -1.26 -2.95 135.00 136.30 2ens s PRO 17 Ca 0.04 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.55 2ens s PRO 17 Cb -0.13 -1.96 0.76 0.00 0.04 0.00 0.00 34.50 33.21 2ens s PRO 17 CO -0.06 -1.19 1.70 1.05 0.04 0.00 0.00 177.00 178.54 2ens h GLU 18 N 0.20 0.41 -0.86 4.56 4.11 -1.66 0.56 114.58 121.91 2ens h GLU 18 Ca -0.47 -0.02 0.19 0.00 0.07 0.00 0.00 59.36 59.13 2ens h GLU 18 Cb 1.25 -0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.29 2ens h GLU 18 CO 0.54 0.27 0.36 0.78 0.07 0.00 0.00 179.01 181.03 2ens h GLY 19 N 0.42 1.40 -0.09 1.06 0.00 -1.97 -3.44 103.07 100.46 2ens h GLY 19 Ca 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2ens h GLY 19 CO -0.52 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 176.41 2ens n GLY 20 N -1.34 1.37 3.16 4.60 0.00 0.19 -4.96 105.19 108.22 2ens n GLY 20 Ca 0.20 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.78 0.07 4.61 0.00 -1.26 -3.11 121.76 119.21 2ens s ALA 21 Ca 0.00 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 2ens s ALA 21 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2ens s ALA 21 CO 0.00 -0.21 0.04 0.14 0.00 0.00 0.00 175.76 175.73 2ens s VAL 22 N 1.04 0.18 0.96 0.00 -7.23 -1.06 -4.67 120.40 109.62 2ens s VAL 22 Ca -0.07 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 2ens s VAL 22 Cb -0.08 -1.58 0.17 0.00 0.56 0.00 0.00 36.38 35.45 2ens s VAL 22 CO -0.08 -0.83 1.09 0.00 -0.31 0.00 0.00 175.10 174.98 2ens s ALA 23 N -3.93 1.09 -0.97 1.32 0.00 -1.26 -1.21 121.76 116.80 2ens s ALA 23 Ca 0.10 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 2ens s ALA 23 Cb 0.07 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 2ens s ALA 23 CO -0.08 -2.79 1.94 -1.25 0.00 0.00 0.00 175.76 173.58 2ens s PRO 24 N -4.73 2.55 0.00 0.00 0.04 -1.26 -2.51 135.00 129.08 2ens s PRO 24 Ca 0.65 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2ens s PRO 24 Cb -0.21 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2ens s PRO 24 CO 0.59 -3.51 0.00 0.41 0.04 0.00 0.00 177.00 174.53 2ens n GLY 25 N 6.62 1.23 0.00 0.56 0.00 0.24 -4.93 105.19 108.91 2ens n GLY 25 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2ens n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ens n GLY 26 N 0.00 1.68 2.78 -0.02 0.00 -1.04 -4.23 105.19 104.35 2ens n GLY 26 Ca 0.00 -1.94 -0.18 0.00 0.00 0.00 0.00 46.02 43.89 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 2.10 -0.27 -0.19 2.61 2.01 -1.26 0.69 115.64 121.33 2ens s THR 27 Ca 0.00 0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 2ens s THR 27 Cb 0.00 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 2ens s THR 27 CO 0.00 -0.04 0.06 -0.69 -0.69 0.00 0.00 174.62 173.26 2ens s VAL 28 N 2.29 4.69 -0.44 3.82 1.01 -1.18 -4.81 120.40 125.77 2ens s VAL 28 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2ens s VAL 28 Cb -0.14 -3.12 0.11 0.00 0.00 0.00 0.00 36.38 33.23 2ens s VAL 28 CO -0.09 0.45 0.28 -0.89 0.00 0.00 0.00 175.10 174.85 2ens s THR 29 N 0.50 3.85 -0.47 3.92 2.01 -1.15 -1.19 115.64 123.11 2ens s THR 29 Ca 0.03 -1.85 -0.27 0.00 0.31 0.00 0.00 61.69 59.91 2ens s THR 29 Cb -0.13 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.86 2ens s THR 29 CO 0.01 -0.71 1.00 -0.76 -0.69 0.00 0.00 174.62 173.46 2ens s LEU 30 N 1.28 3.88 -0.13 4.42 1.02 0.24 -2.36 118.68 127.03 2ens s LEU 30 Ca 0.06 0.23 -0.17 0.00 0.02 0.00 0.00 54.13 54.27 2ens s LEU 30 Cb -0.25 -3.31 -0.04 0.00 0.02 0.00 0.00 46.19 42.61 2ens s LEU 30 CO -0.02 -1.12 0.45 -0.89 0.02 0.00 0.00 176.35 174.79 2ens s THR 31 N 3.99 5.20 -0.28 5.49 2.01 0.13 -1.59 115.64 130.59 2ens s THR 31 Ca 0.41 0.89 0.15 0.00 0.31 0.00 0.00 61.69 63.44 2ens s THR 31 Cb -0.09 -3.79 0.48 0.00 0.01 0.00 0.00 72.50 69.11 2ens s THR 31 CO 0.28 0.32 1.15 0.00 -0.69 0.00 0.00 174.62 175.69 2ens n GLU 33 N -0.65 -1.57 -3.65 0.00 0.28 -1.25 -4.84 120.64 108.95 2ens n GLU 33 Ca 0.26 -1.49 -0.10 0.00 -0.16 0.00 0.00 57.16 55.67 2ens n GLU 33 Cb 0.89 -1.12 -0.11 0.00 1.43 0.00 0.00 31.44 32.53 2ens n GLU 33 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2ens s VAL 34 N -2.98 -0.58 -0.02 3.84 1.01 -1.26 -3.79 120.40 116.62 2ens s VAL 34 Ca 0.56 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 2ens s VAL 34 Cb -0.03 -0.61 -0.17 0.00 0.00 0.00 0.00 36.38 35.57 2ens s VAL 34 CO 0.41 0.08 1.12 1.55 0.00 0.00 0.00 175.10 178.25 2ens h PRO 35 N 8.21 -0.22 0.02 2.72 0.13 -1.91 -3.39 132.00 137.55 2ens h PRO 35 Ca -0.15 0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2ens h PRO 35 Cb 1.11 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2ens h PRO 35 CO 0.13 0.18 -0.01 0.00 -0.23 0.00 0.00 178.00 178.07 2ens h ALA 36 N -0.04 -0.49 -2.33 -0.56 0.00 -1.97 -3.46 119.26 110.41 2ens h ALA 36 Ca -0.02 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 2ens h ALA 36 Cb 0.50 0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.44 2ens h ALA 36 CO 0.04 -0.49 0.30 -0.65 0.00 0.00 0.00 179.25 178.45 2ens s GLN 37 N -2.05 1.96 0.00 0.00 1.11 -1.26 -5.06 119.66 114.36 2ens s GLN 37 Ca -0.00 0.97 0.00 0.00 0.01 0.00 0.00 55.36 56.33 2ens s GLN 37 Cb 0.00 -1.88 0.00 0.00 -1.01 0.00 0.00 33.01 30.12 2ens s GLN 37 CO 0.01 -1.80 0.00 -0.35 0.01 0.00 0.00 175.29 173.17 2ens n PRO 38 N -3.60 0.24 -3.55 2.91 -0.04 -1.26 -4.57 135.00 125.13 2ens n PRO 38 Ca 0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.15 2ens n PRO 38 Cb 0.54 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 2ens n PRO 38 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ens s SER 39 N -1.51 6.33 0.37 3.54 1.04 -1.26 -4.56 113.70 117.65 2ens s SER 39 Ca 0.00 -3.58 0.00 0.00 0.48 0.00 0.00 55.95 52.85 2ens s SER 39 Cb 0.00 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2ens s SER 39 CO 0.00 -0.24 0.00 -0.81 0.98 0.00 0.00 173.24 173.17 2ens n PRO 40 N 2.59 0.26 -2.42 4.02 -0.04 -1.26 -4.89 135.00 133.25 2ens n PRO 40 Ca 0.21 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.26 2ens n PRO 40 Cb 0.38 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.81 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 -1.10 3.11 -0.16 0.54 -0.21 -1.23 -4.87 119.66 115.74 2ens s GLN 41 Ca 0.00 0.09 -0.22 0.00 0.02 0.00 0.00 55.36 55.25 2ens s GLN 41 Cb 0.00 -4.20 -0.03 0.00 1.00 0.00 0.00 33.01 29.78 2ens s GLN 41 CO 0.00 -2.21 0.67 0.42 -2.12 0.00 0.00 175.29 172.05 2ens s ILE 42 N 6.44 5.01 0.46 1.08 -1.09 -1.26 -3.81 121.20 128.03 2ens s ILE 42 Ca 0.45 1.30 0.05 0.00 -2.23 0.00 0.00 60.65 60.22 2ens s ILE 42 Cb -0.09 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 2ens s ILE 42 CO 0.19 0.14 0.07 -1.00 -1.23 0.00 0.00 174.94 173.10 2ens s HIS 43 N 1.66 2.21 -0.07 3.97 3.76 0.03 -0.24 115.29 126.61 2ens s HIS 43 Ca 0.32 -0.78 -0.03 0.00 -0.15 0.00 0.00 55.06 54.42 2ens s HIS 43 Cb -0.16 -1.76 0.04 0.00 1.11 0.00 0.00 32.58 31.81 2ens s HIS 43 CO 0.12 0.24 0.14 -1.58 -0.85 0.00 0.00 174.74 172.81 2ens s TRP 44 N -2.76 -0.14 0.21 1.40 0.52 -1.26 -2.45 118.94 114.46 2ens s TRP 44 Ca 0.25 0.49 0.06 0.00 0.02 0.00 0.00 56.10 56.92 2ens s TRP 44 Cb 0.05 -0.19 -0.05 0.00 -1.15 0.00 0.00 33.47 32.13 2ens s TRP 44 CO 0.13 -0.20 -0.10 -1.64 0.02 0.00 0.00 176.95 175.16 2ens s MET 45 N 1.66 1.31 -0.17 4.98 -1.94 -0.87 -3.04 119.30 121.22 2ens s MET 45 Ca -0.04 -1.60 -0.01 0.00 -1.71 0.00 0.00 55.69 52.33 2ens s MET 45 Cb -0.12 -0.96 0.05 0.00 2.01 0.00 0.00 34.83 35.80 2ens s MET 45 CO -0.05 0.11 -0.02 0.21 -0.01 0.00 0.00 175.02 175.25 2ens s LYS 46 N -3.70 1.13 -0.90 2.03 2.20 0.89 -2.71 119.74 118.68 2ens s LYS 46 Ca 0.23 -0.46 -0.06 0.00 -0.36 0.00 0.00 55.97 55.33 2ens s LYS 46 Cb 0.01 -1.96 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 2ens s LYS 46 CO 0.07 -0.49 0.75 -3.47 -0.36 0.00 0.00 175.35 171.84 2ens n ASP 47 N 4.94 -4.85 -1.55 1.43 2.03 -1.16 -2.88 116.55 114.50 2ens n ASP 47 Ca -0.10 -0.34 -0.11 0.00 0.52 0.00 0.00 54.79 54.76 2ens n ASP 47 Cb 0.47 -3.46 0.01 0.00 -0.72 0.00 0.00 41.12 37.43 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 -1.47 0.05 2.91 0.27 0.00 -1.26 -5.03 105.19 100.66 2ens n GLY 48 Ca -0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.79 -0.08 -0.14 1.61 1.01 -1.14 -5.12 120.40 113.74 2ens s VAL 49 Ca 0.12 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 2ens s VAL 49 Cb -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 2ens s VAL 49 CO 0.15 0.09 1.55 -2.16 0.00 0.00 0.00 175.10 174.73 2ens s PRO 50 N 1.36 4.06 0.38 2.72 0.04 -1.26 -0.07 135.00 142.22 2ens s PRO 50 Ca -0.07 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 2ens s PRO 50 Cb -0.12 -3.95 -0.08 0.00 0.04 0.00 0.00 34.50 30.38 2ens s PRO 50 CO -0.06 -0.97 0.80 -0.51 0.04 0.00 0.00 177.00 176.30 2ens s LEU 51 N 4.32 3.94 -1.15 -3.56 1.43 -1.17 -4.95 118.68 117.53 2ens s LEU 51 Ca 0.69 1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 54.88 2ens s LEU 51 Cb -0.28 -4.17 -0.08 0.00 0.03 0.00 0.00 46.19 41.69 2ens s LEU 51 CO 0.26 -0.32 1.94 -2.16 0.23 0.00 0.00 176.35 176.30 2ens s PRO 52 N -3.36 2.50 0.01 1.29 0.04 -1.26 -4.85 135.00 129.37 2ens s PRO 52 Ca 0.55 -1.07 -0.23 0.00 0.04 0.00 0.00 61.00 60.29 2ens s PRO 52 Cb -0.10 -5.22 0.05 0.00 0.04 0.00 0.00 34.50 29.27 2ens s PRO 52 CO 0.22 -3.92 0.51 -0.51 0.04 0.00 0.00 177.00 173.34 2ens s LEU 53 N 10.94 -0.00 0.26 -3.56 1.43 -1.26 -5.15 118.68 121.33 2ens s LEU 53 Ca 0.69 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.75 2ens s LEU 53 Cb -0.01 2.04 -0.09 0.00 0.03 0.00 0.00 46.19 48.15 2ens s LEU 53 CO 0.12 -0.64 1.26 -2.16 0.23 0.00 0.00 176.35 175.15 2ens s PRO 54 N -1.98 4.44 -0.12 1.29 0.04 -1.26 -4.91 135.00 132.49 2ens s PRO 54 Ca -0.08 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2ens s PRO 54 Cb -0.01 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2ens s PRO 54 CO 0.02 -0.12 1.54 -1.25 0.04 0.00 0.00 177.00 177.23 2ens s PRO 55 N -0.96 4.10 0.00 0.56 0.04 -1.26 -4.91 135.00 132.58 2ens s PRO 55 Ca 0.51 1.93 -0.14 0.00 0.04 0.00 0.00 61.00 63.34 2ens s PRO 55 Cb -0.36 -3.94 0.02 0.00 0.04 0.00 0.00 34.50 30.26 2ens s PRO 55 CO 0.44 -0.91 0.30 0.45 0.04 0.00 0.00 177.00 177.31 2ens s SER 56 N 3.19 -0.16 0.00 6.66 0.15 0.67 -4.63 113.70 119.58 2ens s SER 56 Ca 0.68 -0.01 0.11 0.00 0.70 0.00 0.00 55.95 57.43 2ens s SER 56 Cb -0.28 0.32 0.67 0.00 -1.71 0.00 0.00 66.02 65.02 2ens s SER 56 CO 0.26 -0.50 1.10 -0.81 1.20 0.00 0.00 173.24 174.49 2ens n PRO 57 N 1.06 0.49 -3.69 5.44 -0.04 -1.26 -4.56 135.00 132.44 2ens n PRO 57 Ca -0.21 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 2ens n PRO 57 Cb 0.57 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.55 2ens n PRO 57 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ens s VAL 58 N -2.00 -0.23 -0.20 0.52 0.11 -1.26 -0.86 120.40 116.49 2ens s VAL 58 Ca 0.17 0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 2ens s VAL 58 Cb 0.08 -0.49 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 2ens s VAL 58 CO 0.13 0.07 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.58 2ens s LEU 59 N 1.81 2.39 -0.26 2.54 2.96 -0.62 -4.96 118.68 122.53 2ens s LEU 59 Ca -0.05 -0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 53.03 2ens s LEU 59 Cb -0.11 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 2ens s LEU 59 CO -0.10 -0.03 0.07 -0.63 -1.32 0.00 0.00 176.35 174.34 2ens s ILE 60 N 1.27 4.16 -0.96 6.68 1.09 -1.26 -0.59 121.20 131.59 2ens s ILE 60 Ca 0.03 -0.37 -0.03 0.00 -1.10 0.00 0.00 60.65 59.18 2ens s ILE 60 Cb -0.14 -3.01 0.25 0.00 -1.06 0.00 0.00 42.46 38.49 2ens s ILE 60 CO -0.11 0.25 0.96 0.18 -0.10 0.00 0.00 174.94 176.11 2ens n LEU 61 N 4.90 4.79 -4.77 2.97 4.77 -0.34 -4.96 117.00 124.37 2ens n LEU 61 Ca -0.16 -5.14 -0.40 0.00 -0.03 0.00 0.00 56.01 50.29 2ens n LEU 61 Cb 0.50 -1.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.38 2ens n LEU 61 CO 0.31 1.56 0.89 -2.16 -1.33 0.00 0.00 177.39 176.66 2ens s PRO 62 N -1.62 4.28 -1.13 3.23 0.04 -1.26 -3.11 135.00 135.43 2ens s PRO 62 Ca 0.30 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 2ens s PRO 62 Cb -0.05 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 2ens s PRO 62 CO -0.08 -0.17 0.93 0.39 0.04 0.00 0.00 177.00 178.11 2ens n GLU 63 N 0.57 -4.26 -1.92 4.56 1.02 0.22 -4.94 120.64 115.89 2ens n GLU 63 Ca 0.02 0.83 -0.34 0.00 -0.02 0.00 0.00 57.16 57.65 2ens n GLU 63 Cb 0.44 -5.74 0.03 0.00 -0.02 0.00 0.00 31.44 26.16 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 -3.40 3.19 0.00 -3.67 1.01 -0.24 -4.75 121.20 113.34 2ens s ILE 64 Ca 0.23 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.50 2ens s ILE 64 Cb -0.03 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2ens s ILE 64 CO 0.75 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2ens n GLY 65 N -0.27 5.41 0.19 6.18 0.00 -1.26 0.80 105.19 116.25 2ens n GLY 65 Ca 0.11 -1.49 0.05 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.02 1.61 0.13 -1.97 -2.93 132.00 128.81 2ens h PRO 66 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 2ens h PRO 66 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2ens h PRO 66 CO 0.00 0.36 -0.66 -0.56 -0.23 0.00 0.00 178.00 176.91 2ens h GLN 67 N 0.00 0.11 -0.57 0.86 3.07 -2.01 -3.10 115.11 113.46 2ens h GLN 67 Ca -0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 2ens h GLN 67 Cb 0.77 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.32 2ens h GLN 67 CO 0.05 0.72 0.25 0.22 0.09 0.00 0.00 178.83 180.16 2ens h ASP 68 N 0.07 0.74 -1.11 0.06 1.82 -1.91 -3.44 116.42 112.65 2ens h ASP 68 Ca -0.01 -0.08 -0.67 0.00 -0.39 0.00 0.00 57.03 55.88 2ens h ASP 68 Cb 1.17 -0.19 0.11 0.00 0.68 0.00 0.00 39.33 41.10 2ens h ASP 68 CO 0.09 0.65 -0.48 0.00 -1.61 0.00 0.00 179.24 177.89 2ens n GLN 69 N -4.34 0.10 -0.77 0.28 6.02 -1.18 -4.82 117.38 112.67 2ens n GLN 69 Ca 0.05 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2ens n GLN 69 Cb 0.15 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.35 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 1.94 0.43 3.82 1.08 0.00 -0.58 -4.98 105.19 106.90 2ens n GLY 70 Ca 0.17 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.80 4.77 -0.07 2.61 -4.23 -1.26 -0.14 115.64 115.52 2ens s THR 71 Ca 0.00 1.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.63 2ens s THR 71 Cb 0.00 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 70.01 2ens s THR 71 CO 0.00 0.45 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.17 2ens s TYR 72 N -1.23 1.00 0.02 3.99 1.51 0.32 -3.00 117.35 119.97 2ens s TYR 72 Ca 0.32 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 2ens s TYR 72 Cb -0.18 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 2ens s TYR 72 CO 0.19 -0.29 -0.05 0.45 -1.11 0.00 0.00 175.55 174.75 2ens s SER 73 N 1.20 0.48 0.06 2.29 0.15 -1.10 -2.32 113.70 114.46 2ens s SER 73 Ca -0.06 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2ens s SER 73 Cb -0.14 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 2ens s SER 73 CO -0.02 -0.15 0.16 0.00 1.20 0.00 0.00 173.24 174.43 2ens s VAL 75 N -1.44 1.15 0.56 0.00 1.01 -1.02 -1.72 120.40 118.94 2ens s VAL 75 Ca 0.32 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.99 2ens s VAL 75 Cb -0.13 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.17 2ens s VAL 75 CO 0.25 0.39 0.47 0.00 0.00 0.00 0.00 175.10 176.20 2ens s ALA 76 N 1.60 4.53 -0.30 5.51 0.00 0.15 -0.79 121.76 132.46 2ens s ALA 76 Ca 0.04 -1.29 -0.17 0.00 0.00 0.00 0.00 51.96 50.54 2ens s ALA 76 Cb -0.13 -0.81 0.18 0.00 0.00 0.00 0.00 23.12 22.36 2ens s ALA 76 CO -0.08 -0.53 1.13 -0.08 0.00 0.00 0.00 175.76 176.20 2ens s THR 77 N -2.79 -0.28 0.04 0.00 -1.32 -1.25 -0.46 115.64 109.59 2ens s THR 77 Ca 0.36 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.82 2ens s THR 77 Cb -0.03 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 2ens s THR 77 CO 0.23 0.00 0.02 -1.38 -2.21 0.00 0.00 174.62 171.28 2ens s HIS 78 N 2.39 0.36 0.34 9.09 -3.43 -0.57 -3.55 115.29 119.92 2ens s HIS 78 Ca -0.01 -0.79 0.15 0.00 -0.80 0.00 0.00 55.06 53.61 2ens s HIS 78 Cb -0.05 -0.26 1.14 0.00 -1.43 0.00 0.00 32.58 31.97 2ens s HIS 78 CO -0.15 -0.35 1.51 0.45 -2.00 0.00 0.00 174.74 174.19 2ens n SER 79 N 0.56 0.21 0.18 7.38 2.88 -1.26 -0.33 113.62 123.23 2ens n SER 79 Ca -0.17 1.60 -0.16 0.00 -1.33 0.00 0.00 58.87 58.81 2ens n SER 79 Cb 0.59 -0.72 -0.09 0.00 -0.75 0.00 0.00 64.21 63.24 2ens n SER 79 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2ens h SER 80 N 0.00 -1.40 -4.48 -3.46 0.87 -2.06 -3.43 113.55 99.59 2ens h SER 80 Ca 0.75 0.13 -0.39 0.00 -1.23 0.00 0.00 61.79 61.05 2ens h SER 80 Cb 1.89 0.50 -0.22 0.00 -0.44 0.00 0.00 62.40 64.12 2ens h SER 80 CO -0.78 -0.56 -0.77 -1.00 -0.53 0.00 0.00 176.83 173.18 2ens s HIS 81 N -5.58 1.09 0.00 2.24 4.02 0.55 -5.15 115.29 112.45 2ens s HIS 81 Ca -0.16 -0.43 0.00 0.00 1.02 0.00 0.00 55.06 55.49 2ens s HIS 81 Cb 0.05 -0.63 0.00 0.00 -1.02 0.00 0.00 32.58 30.98 2ens s HIS 81 CO 0.56 0.02 0.00 0.41 1.02 0.00 0.00 174.74 176.75 2ens n GLY 82 N 1.50 -2.99 3.55 -2.22 0.00 -1.26 -1.52 105.19 102.26 2ens n GLY 82 Ca -0.21 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 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 0.17 1.61 0.04 -1.26 -3.92 135.00 134.23 2ens s PRO 83 Ca 0.00 0.17 -0.14 0.00 0.04 0.00 0.00 61.00 61.07 2ens s PRO 83 Cb 0.00 -4.72 -0.07 0.00 0.04 0.00 0.00 34.50 29.75 2ens s PRO 83 CO 0.00 -3.05 0.57 -1.14 0.04 0.00 0.00 177.00 173.41 2ens s GLN 84 N 7.03 3.97 0.16 4.56 2.00 0.39 -4.88 119.66 132.89 2ens s GLN 84 Ca 0.69 0.49 0.10 0.00 -2.00 0.00 0.00 55.36 54.63 2ens s GLN 84 Cb -0.10 -2.87 -0.04 0.00 0.80 0.00 0.00 33.01 30.80 2ens s GLN 84 CO 0.10 0.44 -0.22 -2.00 -0.50 0.00 0.00 175.29 173.11 2ens s GLU 85 N -2.12 1.36 0.55 1.67 2.12 -1.26 0.30 118.70 121.32 2ens s GLU 85 Ca 0.40 -1.41 0.08 0.00 0.36 0.00 0.00 54.97 54.41 2ens s GLU 85 Cb -0.14 -1.62 0.06 0.00 0.26 0.00 0.00 34.13 32.69 2ens s GLU 85 CO 0.19 0.35 0.66 -1.54 -0.54 0.00 0.00 175.26 174.38 2ens s SER 86 N -2.47 5.03 1.31 -1.70 1.04 -0.70 -4.99 113.70 111.22 2ens s SER 86 Ca 0.16 -0.91 -0.20 0.00 0.48 0.00 0.00 55.95 55.48 2ens s SER 86 Cb -0.08 0.20 0.31 0.00 0.10 0.00 0.00 66.02 66.55 2ens s SER 86 CO 0.07 -1.20 0.71 0.54 0.98 0.00 0.00 173.24 174.35 2ens n ARG 87 N -2.06 -3.83 -3.94 4.02 5.12 -1.26 -4.70 116.66 110.02 2ens n ARG 87 Ca 0.10 -1.13 -0.35 0.00 -1.93 0.00 0.00 57.85 54.54 2ens n ARG 87 Cb 0.62 -1.81 -0.14 0.00 -1.16 0.00 0.00 32.46 29.97 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 -2.13 2.74 -0.18 7.54 0.00 -1.26 -4.52 121.76 123.95 2ens s ALA 88 Ca 0.58 -1.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 2ens s ALA 88 Cb -0.12 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 2ens s ALA 88 CO 0.51 -0.75 0.16 0.54 0.00 0.00 0.00 175.76 176.22 2ens s VAL 89 N 1.36 5.40 -0.51 0.00 0.11 -0.98 -4.89 120.40 120.89 2ens s VAL 89 Ca 0.01 0.26 -0.19 0.00 -2.93 0.00 0.00 61.98 59.13 2ens s VAL 89 Cb -0.16 -3.49 0.06 0.00 -1.53 0.00 0.00 36.38 31.26 2ens s VAL 89 CO -0.04 0.46 0.64 -0.94 -3.33 0.00 0.00 175.10 171.89 2ens s SER 90 N 0.14 6.23 -0.33 3.54 1.04 -1.26 -0.52 113.70 122.54 2ens s SER 90 Ca 0.11 -0.88 -0.24 0.00 0.48 0.00 0.00 55.95 55.41 2ens s SER 90 Cb -0.12 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 63.71 2ens s SER 90 CO 0.00 -0.90 0.81 -0.63 0.98 0.00 0.00 173.24 173.50 2ens s ILE 91 N 2.68 4.74 0.29 -1.02 -1.09 0.80 -4.77 121.20 122.83 2ens s ILE 91 Ca 0.16 1.11 0.08 0.00 -2.23 0.00 0.00 60.65 59.77 2ens s ILE 91 Cb -0.19 -4.20 -0.06 0.00 -1.58 0.00 0.00 42.46 36.44 2ens s ILE 91 CO 0.12 -0.35 -0.10 -0.55 -1.23 0.00 0.00 174.94 172.83 2ens s SER 92 N 1.72 3.12 -0.11 3.58 0.15 -1.18 -1.53 113.70 119.45 2ens s SER 92 Ca 0.33 -1.15 -0.17 0.00 0.70 0.00 0.00 55.95 55.66 2ens s SER 92 Cb -0.13 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 63.90 2ens s SER 92 CO 0.15 -0.22 0.44 -0.63 1.20 0.00 0.00 173.24 174.17 2ens s ILE 93 N -2.82 5.18 0.14 6.45 1.01 -1.26 -2.56 121.20 127.33 2ens s ILE 93 Ca 0.29 0.88 -0.19 0.00 0.00 0.00 0.00 60.65 61.64 2ens s ILE 93 Cb 0.01 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 2ens s ILE 93 CO 0.13 0.37 0.62 -0.63 0.00 0.00 0.00 174.94 175.43 2ens s ILE 94 N 0.36 4.68 0.05 2.92 1.01 -0.35 -4.91 121.20 124.96 2ens s ILE 94 Ca 0.24 1.19 -0.19 0.00 0.00 0.00 0.00 60.65 61.90 2ens s ILE 94 Cb -0.15 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 2ens s ILE 94 CO 0.10 0.39 0.55 -1.61 0.00 0.00 0.00 174.94 174.37 2ens s GLU 95 N -1.53 4.18 0.00 2.79 2.02 -1.26 -4.33 118.70 120.58 2ens s GLU 95 Ca 0.35 0.69 0.16 0.00 0.02 0.00 0.00 54.97 56.19 2ens s GLU 95 Cb -0.18 -3.25 0.93 0.00 0.10 0.00 0.00 34.13 31.72 2ens s GLU 95 CO 0.20 0.61 1.34 -0.35 0.02 0.00 0.00 175.26 177.08