#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ens n SER 2 N 0.00 2.06 -4.41 1.61 7.64 -1.26 -4.99 113.62 114.27 2ens n SER 2 Ca 0.00 1.13 -0.33 0.00 1.01 0.00 0.00 58.87 60.68 2ens n SER 2 Cb 0.00 -1.42 -0.14 0.00 -1.01 0.00 0.00 64.21 61.64 2ens n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ens s SER 3 N -0.52 4.18 0.00 6.43 0.15 -1.26 -4.97 113.70 117.70 2ens s SER 3 Ca 0.59 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2ens s SER 3 Cb -0.57 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2ens s SER 3 CO 0.59 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.83 2ens n GLY 4 N 3.36 0.22 2.22 9.45 0.00 -1.26 -4.93 105.19 114.26 2ens n GLY 4 Ca -0.18 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 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 0.32 5.81 -0.20 1.61 3.41 -1.26 -4.67 113.62 118.65 2ens n SER 5 Ca 0.00 -2.81 -0.03 0.00 -0.26 0.00 0.00 58.87 55.77 2ens n SER 5 Cb 0.00 -1.33 0.04 0.00 -0.26 0.00 0.00 64.21 62.66 2ens n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ens h SER 6 N 2.97 -0.80 0.00 4.04 0.02 -1.93 -3.44 113.55 114.41 2ens h SER 6 Ca 0.28 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 2ens h SER 6 Cb 1.15 0.45 0.00 0.00 0.14 0.00 0.00 62.40 64.14 2ens h SER 6 CO 0.53 -0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 2ens n GLY 7 N -1.43 -1.59 3.56 -3.77 0.00 -1.26 -5.16 105.19 95.53 2ens n GLY 7 Ca 0.06 0.37 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 -5.42 2.35 -0.14 0.99 1.43 -1.26 -5.16 118.68 111.47 2ens s LEU 8 Ca 0.00 -1.48 -0.08 0.00 -1.03 0.00 0.00 54.13 51.54 2ens s LEU 8 Cb 0.00 -0.53 0.05 0.00 0.03 0.00 0.00 46.19 45.74 2ens s LEU 8 CO 0.00 -0.67 0.34 -1.83 0.23 0.00 0.00 176.35 174.42 2ens s GLU 9 N -3.81 0.32 -0.18 1.70 4.04 -1.26 -4.99 118.70 114.52 2ens s GLU 9 Ca 0.28 0.64 -0.16 0.00 0.04 0.00 0.00 54.97 55.78 2ens s GLU 9 Cb 0.07 -0.02 -0.06 0.00 0.02 0.00 0.00 34.13 34.13 2ens s GLU 9 CO 0.14 -0.14 -0.30 0.39 -1.84 0.00 0.00 175.26 173.51 2ens n GLU 10 N 4.02 0.52 -2.05 -4.83 -0.58 -1.26 -4.96 120.64 111.49 2ens n GLU 10 Ca -0.22 0.29 -0.40 0.00 -0.42 0.00 0.00 57.16 56.41 2ens n GLU 10 Cb 0.55 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 2ens n GLU 10 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2ens s VAL 11 N -2.72 2.59 -0.56 2.62 -7.23 -1.26 -4.99 120.40 108.86 2ens s VAL 11 Ca -0.27 0.58 0.06 0.00 -1.81 0.00 0.00 61.98 60.55 2ens s VAL 11 Cb 0.04 -3.37 0.22 0.00 0.56 0.00 0.00 36.38 33.84 2ens s VAL 11 CO 0.39 0.13 0.57 1.67 -0.31 0.00 0.00 175.10 177.55 2ens n GLN 12 N 0.63 1.54 -1.75 4.82 7.27 -1.26 -5.02 117.38 123.60 2ens n GLN 12 Ca 0.01 -4.03 -0.42 0.00 0.07 0.00 0.00 57.00 52.63 2ens n GLN 12 Cb 0.42 -1.91 -0.00 0.00 2.41 0.00 0.00 30.24 31.15 2ens n GLN 12 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2ens n LEU 13 N 1.57 4.39 -3.77 1.69 7.94 -1.26 -4.66 117.00 122.90 2ens n LEU 13 Ca 0.25 1.21 -0.30 0.00 -1.11 0.00 0.00 56.01 56.07 2ens n LEU 13 Cb 0.44 -1.58 -0.14 0.00 0.53 0.00 0.00 43.42 42.66 2ens n LEU 13 CO 0.27 -0.01 -0.29 -0.69 -1.11 0.00 0.00 177.39 175.55 2ens s VAL 14 N -0.96 1.32 0.40 1.96 1.01 0.78 -4.98 120.40 119.94 2ens s VAL 14 Ca 0.55 -2.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.27 2ens s VAL 14 Cb -0.51 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.81 2ens s VAL 14 CO 0.61 -0.75 1.00 0.54 0.00 0.00 0.00 175.10 176.50 2ens s VAL 15 N 0.98 3.99 -0.08 2.92 0.11 -1.26 -2.40 120.40 124.66 2ens s VAL 15 Ca 0.13 1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 60.62 2ens s VAL 15 Cb -0.21 -3.72 0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2ens s VAL 15 CO -0.12 -0.06 0.03 -0.70 -3.33 0.00 0.00 175.10 170.92 2ens s GLU 16 N -2.61 0.40 0.73 1.54 2.56 -1.02 -2.06 118.70 118.23 2ens s GLU 16 Ca 0.58 0.11 -0.12 0.00 0.00 0.00 0.00 54.97 55.54 2ens s GLU 16 Cb -0.18 -1.03 0.03 0.00 2.00 0.00 0.00 34.13 34.96 2ens s GLU 16 CO 0.23 -0.37 1.10 -1.25 -0.56 0.00 0.00 175.26 174.41 2ens s PRO 17 N 2.02 2.46 0.00 4.30 0.04 -1.26 -1.73 135.00 140.83 2ens s PRO 17 Ca 0.04 1.25 0.07 0.00 0.04 0.00 0.00 61.00 62.40 2ens s PRO 17 Cb -0.13 -1.92 0.34 0.00 0.04 0.00 0.00 34.50 32.83 2ens s PRO 17 CO -0.05 -1.49 1.09 -0.85 0.04 0.00 0.00 177.00 175.74 2ens n GLU 18 N -3.10 0.08 0.10 4.56 0.00 -0.88 -1.99 120.64 119.41 2ens n GLU 18 Ca 0.10 0.25 -0.05 0.00 0.00 0.00 0.00 57.16 57.45 2ens n GLU 18 Cb 0.53 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.50 2ens n GLU 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2ens h GLY 19 N 1.13 0.10 0.00 -1.84 0.00 -1.96 -3.48 103.07 97.02 2ens h GLY 19 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2ens h GLY 19 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.29 2ens n GLY 20 N 0.71 0.49 3.10 4.60 0.00 -0.84 -5.05 105.19 108.21 2ens n GLY 20 Ca -0.02 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 -0.61 0.00 4.61 0.00 -1.26 -2.34 121.76 120.16 2ens s ALA 21 Ca 0.00 0.86 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 2ens s ALA 21 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2ens s ALA 21 CO 0.00 -0.16 0.15 0.14 0.00 0.00 0.00 175.76 175.90 2ens s VAL 22 N 0.65 0.08 1.00 0.00 -7.23 -0.84 -4.80 120.40 109.26 2ens s VAL 22 Ca -0.04 -0.67 -0.15 0.00 -1.81 0.00 0.00 61.98 59.31 2ens s VAL 22 Cb -0.06 -0.45 0.05 0.00 0.56 0.00 0.00 36.38 36.49 2ens s VAL 22 CO -0.04 -0.37 0.26 0.00 -0.31 0.00 0.00 175.10 174.64 2ens n ALA 23 N 1.43 -3.13 -2.06 1.32 0.00 -1.26 -2.49 120.51 114.33 2ens n ALA 23 Ca -0.23 -0.81 -0.27 0.00 0.00 0.00 0.00 53.44 52.13 2ens n ALA 23 Cb 0.56 -1.70 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 2ens n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ens s PRO 24 N -3.54 2.52 0.00 0.00 0.04 -1.26 -2.58 135.00 130.17 2ens s PRO 24 Ca 0.56 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.82 2ens s PRO 24 Cb -0.18 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2ens s PRO 24 CO 0.67 -3.72 0.00 0.41 0.04 0.00 0.00 177.00 174.40 2ens n GLY 25 N 6.27 1.19 0.00 0.56 0.00 0.43 -4.90 105.19 108.74 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 1.39 2.74 -0.02 0.00 -1.07 -4.11 105.19 104.12 2ens n GLY 26 Ca 0.00 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 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 1.77 -0.26 -0.09 2.61 2.01 -1.26 0.22 115.64 120.65 2ens s THR 27 Ca 0.00 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 2ens s THR 27 Cb 0.00 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 2ens s THR 27 CO 0.00 -0.15 0.26 -0.69 -0.69 0.00 0.00 174.62 173.35 2ens s VAL 28 N 2.28 5.30 -0.39 3.82 1.01 -1.18 -4.79 120.40 126.46 2ens s VAL 28 Ca 0.05 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 2ens s VAL 28 Cb -0.15 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 32.79 2ens s VAL 28 CO -0.10 0.56 0.16 -0.89 0.00 0.00 0.00 175.10 174.83 2ens s THR 29 N -0.77 2.99 -0.54 3.92 2.01 -0.71 -0.58 115.64 121.96 2ens s THR 29 Ca 0.18 -2.14 -0.21 0.00 0.31 0.00 0.00 61.69 59.83 2ens s THR 29 Cb -0.14 -3.09 0.06 0.00 0.01 0.00 0.00 72.50 69.34 2ens s THR 29 CO 0.07 -0.66 0.77 -0.76 -0.69 0.00 0.00 174.62 173.35 2ens s LEU 30 N 1.07 4.64 -0.32 4.42 1.43 0.67 -2.44 118.68 128.15 2ens s LEU 30 Ca 0.09 -0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 2ens s LEU 30 Cb -0.22 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.48 2ens s LEU 30 CO -0.05 -1.08 0.06 -0.89 0.23 0.00 0.00 176.35 174.62 2ens s THR 31 N 3.23 3.51 -0.34 5.49 2.01 -1.01 -0.05 115.64 128.49 2ens s THR 31 Ca 0.21 -1.16 0.07 0.00 0.31 0.00 0.00 61.69 61.11 2ens s THR 31 Cb -0.17 -2.97 0.54 0.00 0.01 0.00 0.00 72.50 69.91 2ens s THR 31 CO 0.14 -0.12 1.59 0.00 -0.69 0.00 0.00 174.62 175.54 2ens n GLU 33 N -1.12 -2.98 -4.16 0.00 0.28 -1.21 -4.71 120.64 106.74 2ens n GLU 33 Ca 0.41 -0.85 -0.21 0.00 -0.16 0.00 0.00 57.16 56.35 2ens n GLU 33 Cb 1.18 -2.06 -0.16 0.00 1.43 0.00 0.00 31.44 31.83 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 -2.32 0.57 -0.02 3.84 1.01 -1.26 -4.37 120.40 117.85 2ens s VAL 34 Ca 0.67 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.28 2ens s VAL 34 Cb -0.22 -0.60 -0.17 0.00 0.00 0.00 0.00 36.38 35.39 2ens s VAL 34 CO 0.64 0.24 1.13 1.55 0.00 0.00 0.00 175.10 178.65 2ens h PRO 35 N 7.26 -0.21 0.14 2.72 0.13 -1.96 -3.39 132.00 136.69 2ens h PRO 35 Ca -0.36 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 2ens h PRO 35 Cb 1.15 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ens h PRO 35 CO 0.46 0.19 -0.07 0.00 -0.23 0.00 0.00 178.00 178.35 2ens h ALA 36 N -0.02 -0.48 -2.66 -0.56 0.00 -1.97 -3.45 119.26 110.13 2ens h ALA 36 Ca -0.02 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.35 2ens h ALA 36 Cb 0.50 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.38 2ens h ALA 36 CO 0.04 -0.47 0.44 -1.14 0.00 0.00 0.00 179.25 178.12 2ens s GLN 37 N -2.37 4.38 0.21 0.00 0.74 -1.26 -5.00 119.66 116.36 2ens s GLN 37 Ca -0.03 1.66 -0.30 0.00 0.05 0.00 0.00 55.36 56.74 2ens s GLN 37 Cb 0.00 -2.84 -0.09 0.00 1.10 0.00 0.00 33.01 31.18 2ens s GLN 37 CO 0.08 0.01 1.29 -1.25 -0.55 0.00 0.00 175.29 174.88 2ens s PRO 38 N -2.00 4.40 -0.25 1.67 0.04 -1.26 -4.34 135.00 133.26 2ens s PRO 38 Ca 0.52 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 2ens s PRO 38 Cb -0.27 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.00 2ens s PRO 38 CO 0.34 -0.22 0.54 -1.13 0.04 0.00 0.00 177.00 176.57 2ens n SER 39 N 2.41 -0.38 -3.09 6.66 3.41 -1.26 -4.81 113.62 116.55 2ens n SER 39 Ca 0.05 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2ens n SER 39 Cb 0.43 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.38 0.15 -2.99 4.33 -0.04 -1.26 -4.93 135.00 131.64 2ens n PRO 40 Ca 0.17 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.19 2ens n PRO 40 Cb 0.04 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 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 -1.25 3.35 -0.13 0.54 -0.21 -1.25 -4.81 119.66 115.90 2ens s GLN 41 Ca 0.00 -1.51 -0.13 0.00 0.02 0.00 0.00 55.36 53.74 2ens s GLN 41 Cb 0.00 -4.55 -0.05 0.00 1.00 0.00 0.00 33.01 29.41 2ens s GLN 41 CO 0.00 -1.68 0.28 0.42 -2.12 0.00 0.00 175.29 172.19 2ens s ILE 42 N 2.76 5.29 -0.11 1.08 1.09 -1.25 -2.82 121.20 127.25 2ens s ILE 42 Ca 0.24 0.53 0.03 0.00 -1.10 0.00 0.00 60.65 60.35 2ens s ILE 42 Cb -0.13 -3.61 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 2ens s ILE 42 CO -0.01 0.46 -0.23 -1.00 -0.10 0.00 0.00 174.94 174.06 2ens s HIS 43 N -0.02 2.60 -0.27 3.97 3.76 -0.63 -3.20 115.29 121.51 2ens s HIS 43 Ca 0.17 -1.06 -0.19 0.00 -0.15 0.00 0.00 55.06 53.84 2ens s HIS 43 Cb -0.13 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2ens s HIS 43 CO 0.05 -0.43 0.55 -1.58 -0.85 0.00 0.00 174.74 172.49 2ens s TRP 44 N 0.41 3.26 0.27 1.40 0.52 -1.26 -1.78 118.94 121.75 2ens s TRP 44 Ca -0.17 0.64 0.11 0.00 0.02 0.00 0.00 56.10 56.70 2ens s TRP 44 Cb -0.17 -2.80 -0.05 0.00 -1.15 0.00 0.00 33.47 29.30 2ens s TRP 44 CO 0.07 -0.33 -0.10 -1.64 0.02 0.00 0.00 176.95 174.97 2ens s MET 45 N 2.40 2.01 -0.30 4.98 -1.94 -1.22 -3.32 119.30 121.91 2ens s MET 45 Ca 0.23 -1.56 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 2ens s MET 45 Cb -0.15 -1.99 0.09 0.00 2.01 0.00 0.00 34.83 34.79 2ens s MET 45 CO 0.10 0.35 0.07 0.21 -0.01 0.00 0.00 175.02 175.74 2ens s LYS 46 N -3.55 0.98 -0.77 2.03 2.20 0.00 -3.91 119.74 116.72 2ens s LYS 46 Ca 0.30 -1.20 -0.01 0.00 -0.36 0.00 0.00 55.97 54.71 2ens s LYS 46 Cb -0.06 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 2ens s LYS 46 CO 0.17 -0.91 0.09 -3.47 -0.36 0.00 0.00 175.35 170.87 2ens n ASP 47 N 4.71 -3.34 0.00 1.43 -0.08 -1.16 -3.04 116.55 115.08 2ens n ASP 47 Ca -0.02 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 2ens n ASP 47 Cb 0.43 -2.49 0.00 0.00 2.34 0.00 0.00 41.12 41.39 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 -1.04 0.47 2.93 0.27 0.00 -1.26 -5.06 105.19 101.51 2ens n GLY 48 Ca -0.09 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 0.75 -0.31 1.61 1.01 -1.17 -5.11 120.40 115.19 2ens s VAL 49 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 2ens s VAL 49 Cb 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2ens s VAL 49 CO 0.00 0.28 1.67 -2.16 0.00 0.00 0.00 175.10 174.89 2ens s PRO 50 N 0.91 3.53 0.28 2.72 0.04 -1.26 -0.82 135.00 140.39 2ens s PRO 50 Ca -0.11 1.41 -0.22 0.00 0.04 0.00 0.00 61.00 62.12 2ens s PRO 50 Cb -0.15 -4.11 -0.09 0.00 0.04 0.00 0.00 34.50 30.19 2ens s PRO 50 CO 0.01 -1.62 0.82 -0.51 0.04 0.00 0.00 177.00 175.74 2ens s LEU 51 N 6.08 4.31 -0.98 -3.56 1.43 -1.21 -4.96 118.68 119.79 2ens s LEU 51 Ca 0.74 1.59 -0.24 0.00 -1.03 0.00 0.00 54.13 55.19 2ens s LEU 51 Cb -0.22 -3.82 -0.06 0.00 0.03 0.00 0.00 46.19 42.12 2ens s LEU 51 CO 0.32 -0.03 1.94 -2.16 0.23 0.00 0.00 176.35 176.65 2ens s PRO 52 N -2.10 2.54 0.06 1.29 0.04 -1.26 -4.87 135.00 130.69 2ens s PRO 52 Ca 0.47 -0.54 -0.23 0.00 0.04 0.00 0.00 61.00 60.74 2ens s PRO 52 Cb -0.17 -5.11 0.06 0.00 0.04 0.00 0.00 34.50 29.31 2ens s PRO 52 CO 0.22 -3.55 0.55 -0.51 0.04 0.00 0.00 177.00 173.75 2ens s LEU 53 N 10.35 -0.23 0.26 -3.56 1.43 -1.26 -5.15 118.68 120.52 2ens s LEU 53 Ca 0.70 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 2ens s LEU 53 Cb -0.05 2.26 -0.09 0.00 0.03 0.00 0.00 46.19 48.34 2ens s LEU 53 CO 0.03 -0.76 1.26 -2.16 0.23 0.00 0.00 176.35 174.96 2ens s PRO 54 N -2.57 4.43 -0.08 1.29 0.04 -1.26 -4.95 135.00 131.91 2ens s PRO 54 Ca -0.05 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 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 -0.03 -0.12 1.51 -1.25 0.04 0.00 0.00 177.00 177.15 2ens s PRO 55 N -1.02 4.21 -0.03 0.56 0.04 -1.26 -4.93 135.00 132.57 2ens s PRO 55 Ca 0.51 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 63.37 2ens s PRO 55 Cb -0.37 -3.86 0.04 0.00 0.04 0.00 0.00 34.50 30.35 2ens s PRO 55 CO 0.44 -0.77 0.41 -1.12 0.04 0.00 0.00 177.00 176.01 2ens s SER 56 N 2.73 -0.32 0.00 6.66 0.01 -1.19 -4.82 113.70 116.76 2ens s SER 56 Ca 0.67 0.27 0.15 0.00 1.31 0.00 0.00 55.95 58.34 2ens s SER 56 Cb -0.30 0.38 0.81 0.00 0.21 0.00 0.00 66.02 67.12 2ens s SER 56 CO 0.25 -0.49 1.39 -0.81 0.41 0.00 0.00 173.24 173.99 2ens n PRO 57 N 1.19 0.30 -4.07 12.44 -0.04 -1.26 -4.60 135.00 138.96 2ens n PRO 57 Ca -0.21 0.10 -0.19 0.00 -0.04 0.00 0.00 63.50 63.16 2ens n PRO 57 Cb 0.56 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.39 0.39 -0.15 0.52 1.01 -1.26 -0.04 120.40 118.49 2ens s VAL 58 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2ens s VAL 58 Cb 0.10 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 36.08 2ens s VAL 58 CO 0.21 0.19 0.00 -0.22 0.00 0.00 0.00 175.10 175.29 2ens s LEU 59 N 0.95 1.12 -0.14 3.92 2.96 0.93 -4.98 118.68 123.45 2ens s LEU 59 Ca -0.11 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.16 2ens s LEU 59 Cb -0.14 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 2ens s LEU 59 CO -0.01 -0.25 0.10 -0.63 -1.32 0.00 0.00 176.35 174.25 2ens s ILE 60 N 1.83 5.18 -0.60 6.68 1.01 -1.26 -0.24 121.20 133.80 2ens s ILE 60 Ca 0.01 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.81 2ens s ILE 60 Cb -0.15 -3.28 0.22 0.00 0.01 0.00 0.00 42.46 39.26 2ens s ILE 60 CO -0.07 0.56 0.60 -0.11 0.00 0.00 0.00 174.94 175.91 2ens n LEU 61 N 2.55 2.62 -4.77 2.97 7.94 0.25 -4.96 117.00 123.59 2ens n LEU 61 Ca -0.18 -5.16 -0.35 0.00 -1.11 0.00 0.00 56.01 49.20 2ens n LEU 61 Cb 0.54 -0.39 -0.00 0.00 0.53 0.00 0.00 43.42 44.09 2ens n LEU 61 CO 0.32 1.95 0.79 -2.16 -1.11 0.00 0.00 177.39 177.18 2ens s PRO 62 N -1.73 3.44 -1.02 1.96 0.04 -1.26 -3.08 135.00 133.35 2ens s PRO 62 Ca 0.34 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 2ens s PRO 62 Cb 0.08 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2ens s PRO 62 CO -0.09 -0.78 0.87 0.39 0.04 0.00 0.00 177.00 177.42 2ens n GLU 63 N -1.13 -4.01 -2.46 4.56 4.71 0.61 -4.91 120.64 118.00 2ens n GLU 63 Ca 0.11 0.78 -0.35 0.00 -0.01 0.00 0.00 57.16 57.68 2ens n GLU 63 Cb 0.50 -5.48 -0.03 0.00 -1.01 0.00 0.00 31.44 25.43 2ens n GLU 63 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2ens s ILE 64 N -3.34 3.59 0.00 -3.67 1.01 -0.77 -4.75 121.20 113.27 2ens s ILE 64 Ca 0.21 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2ens s ILE 64 Cb -0.03 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2ens s ILE 64 CO 0.66 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2ens n GLY 65 N -0.01 4.96 0.18 6.18 0.00 -1.26 0.16 105.19 115.40 2ens n GLY 65 Ca 0.09 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.03 1.61 0.13 -1.97 -3.06 132.00 128.68 2ens h PRO 66 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 2ens h PRO 66 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2ens h PRO 66 CO 0.00 0.42 -0.91 1.96 -0.23 0.00 0.00 178.00 179.23 2ens h GLN 67 N 0.00 0.53 -0.11 0.86 1.08 -2.00 -3.16 115.11 112.30 2ens h GLN 67 Ca -0.00 -0.53 0.01 0.00 -1.45 0.00 0.00 58.65 56.68 2ens h GLN 67 Cb 0.81 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 2ens h GLN 67 CO 0.05 1.16 0.07 -0.44 -0.95 0.00 0.00 178.83 178.72 2ens h ASP 68 N 0.31 0.08 -1.65 1.46 3.32 -1.93 -3.43 116.42 114.60 2ens h ASP 68 Ca -0.08 -0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.26 2ens h ASP 68 Cb 1.54 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 41.10 2ens h ASP 68 CO 0.17 0.06 0.84 0.00 -1.72 0.00 0.00 179.24 178.58 2ens n GLN 69 N -4.52 1.30 -0.99 3.56 6.02 -1.20 -4.78 117.38 116.77 2ens n GLN 69 Ca -0.01 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2ens n GLN 69 Cb 0.12 -2.17 0.00 0.00 1.02 0.00 0.00 30.24 29.21 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 3.88 -0.66 3.65 1.08 0.00 -1.21 -5.01 105.19 106.92 2ens n GLY 70 Ca 0.24 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.70 4.46 -0.05 2.61 -4.23 -1.26 -2.11 115.64 111.34 2ens s THR 71 Ca 0.00 -0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.33 2ens s THR 71 Cb 0.00 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.93 2ens s THR 71 CO 0.00 0.54 0.01 -0.31 -0.54 0.00 0.00 174.62 174.32 2ens s TYR 72 N -0.28 0.47 0.03 3.99 1.51 -0.27 -2.98 117.35 119.83 2ens s TYR 72 Ca 0.07 -0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 2ens s TYR 72 Cb -0.12 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 2ens s TYR 72 CO 0.02 -0.25 0.03 0.45 -1.11 0.00 0.00 175.55 174.69 2ens s SER 73 N 1.76 0.27 -0.04 2.29 0.15 -1.25 -1.72 113.70 115.15 2ens s SER 73 Ca 0.01 -0.62 -0.09 0.00 0.70 0.00 0.00 55.95 55.95 2ens s SER 73 Cb -0.13 0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.32 2ens s SER 73 CO -0.04 -0.46 0.25 0.00 1.20 0.00 0.00 173.24 174.19 2ens s VAL 75 N -1.14 2.65 -0.25 0.00 1.01 -0.74 -1.36 120.40 120.58 2ens s VAL 75 Ca 0.22 -2.19 -0.13 0.00 0.00 0.00 0.00 61.98 59.88 2ens s VAL 75 Cb -0.14 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2ens s VAL 75 CO 0.11 -0.59 0.26 0.00 0.00 0.00 0.00 175.10 174.87 2ens s ALA 76 N 1.00 3.57 -0.01 5.51 0.00 0.18 -1.60 121.76 130.42 2ens s ALA 76 Ca 0.09 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2ens s ALA 76 Cb -0.20 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 2ens s ALA 76 CO -0.06 -0.39 -0.11 -0.08 0.00 0.00 0.00 175.76 175.11 2ens s THR 77 N 1.48 0.90 0.13 0.00 -1.32 -1.13 -0.44 115.64 115.26 2ens s THR 77 Ca 0.11 -0.50 -0.25 0.00 -1.21 0.00 0.00 61.69 59.85 2ens s THR 77 Cb -0.15 -0.75 0.08 0.00 -1.51 0.00 0.00 72.50 70.17 2ens s THR 77 CO 0.08 0.25 1.07 -1.38 -2.21 0.00 0.00 174.62 172.42 2ens s HIS 78 N -0.28 -0.03 0.08 9.09 -3.43 0.25 -3.95 115.29 117.03 2ens s HIS 78 Ca 0.04 -0.27 -0.25 0.00 -0.80 0.00 0.00 55.06 53.78 2ens s HIS 78 Cb -0.04 0.64 -0.10 0.00 -1.43 0.00 0.00 32.58 31.65 2ens s HIS 78 CO -0.00 -0.74 1.40 0.77 -2.00 0.00 0.00 174.74 174.17 2ens h SER 79 N 2.00 -1.25 -0.40 7.38 0.02 -2.01 -2.88 113.55 116.42 2ens h SER 79 Ca -0.26 0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2ens h SER 79 Cb 1.22 0.48 -0.06 0.00 0.14 0.00 0.00 62.40 64.18 2ens h SER 79 CO 0.30 -0.37 -0.32 -1.28 -1.14 0.00 0.00 176.83 174.02 2ens h SER 80 N -0.46 -1.12 -3.54 3.07 0.87 -2.04 -3.39 113.55 106.94 2ens h SER 80 Ca 0.02 0.16 -0.68 0.00 -1.23 0.00 0.00 61.79 60.06 2ens h SER 80 Cb 0.52 0.48 -0.30 0.00 -0.44 0.00 0.00 62.40 62.65 2ens h SER 80 CO -0.29 -0.17 -0.84 -1.00 -0.53 0.00 0.00 176.83 173.99 2ens s HIS 81 N -4.42 2.61 0.00 2.24 4.02 -1.09 -5.13 115.29 113.52 2ens s HIS 81 Ca -0.07 -0.81 0.00 0.00 1.02 0.00 0.00 55.06 55.20 2ens s HIS 81 Cb 0.05 -1.71 0.00 0.00 -1.02 0.00 0.00 32.58 29.90 2ens s HIS 81 CO 0.34 -0.28 0.00 0.41 1.02 0.00 0.00 174.74 176.23 2ens n GLY 82 N 3.31 -3.05 3.56 -2.22 0.00 -1.22 -0.58 105.19 104.98 2ens n GLY 82 Ca -0.18 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 2.58 0.13 1.61 0.04 -1.26 -3.73 135.00 134.36 2ens s PRO 83 Ca 0.00 0.07 -0.03 0.00 0.04 0.00 0.00 61.00 61.08 2ens s PRO 83 Cb 0.00 -4.80 -0.05 0.00 0.04 0.00 0.00 34.50 29.69 2ens s PRO 83 CO 0.00 -3.13 0.33 -1.14 0.04 0.00 0.00 177.00 173.10 2ens s GLN 84 N 7.03 3.55 -0.13 4.56 2.00 0.42 -4.96 119.66 132.13 2ens s GLN 84 Ca 0.69 -0.23 -0.02 0.00 -2.00 0.00 0.00 55.36 53.80 2ens s GLN 84 Cb -0.09 -2.90 0.04 0.00 0.80 0.00 0.00 33.01 30.86 2ens s GLN 84 CO 0.08 0.50 0.01 -2.00 -0.50 0.00 0.00 175.29 173.38 2ens s GLU 85 N -2.70 0.66 1.25 1.67 2.12 -1.26 -0.65 118.70 119.79 2ens s GLU 85 Ca 0.39 -0.14 -0.20 0.00 0.36 0.00 0.00 54.97 55.37 2ens s GLU 85 Cb -0.12 -1.52 0.32 0.00 0.26 0.00 0.00 34.13 33.07 2ens s GLU 85 CO 0.26 -0.46 0.72 0.45 -0.54 0.00 0.00 175.26 175.69 2ens n SER 86 N 5.10 -3.82 -4.07 -1.70 2.88 -0.46 -4.97 113.62 106.58 2ens n SER 86 Ca -0.08 -0.73 -0.29 0.00 -1.33 0.00 0.00 58.87 56.44 2ens n SER 86 Cb 0.49 -0.85 0.27 0.00 -0.75 0.00 0.00 64.21 63.37 2ens n SER 86 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2ens s ARG 87 N -4.64 -1.87 -0.21 -1.46 0.52 -1.26 -4.72 118.95 105.30 2ens s ARG 87 Ca 0.55 0.55 -0.12 0.00 -0.52 0.00 0.00 55.73 56.19 2ens s ARG 87 Cb -0.10 -1.47 -0.05 0.00 0.52 0.00 0.00 34.95 33.86 2ens s ARG 87 CO 0.47 -4.28 0.23 0.00 0.02 0.00 0.00 175.30 171.74 2ens s ALA 88 N -2.36 3.61 -0.31 2.13 0.00 -1.26 -4.56 121.76 119.01 2ens s ALA 88 Ca 0.69 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 2ens s ALA 88 Cb -0.21 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.54 2ens s ALA 88 CO 0.62 -0.10 0.12 0.08 0.00 0.00 0.00 175.76 176.49 2ens s VAL 89 N 0.88 4.28 -0.65 0.00 1.01 -0.70 -4.93 120.40 120.29 2ens s VAL 89 Ca 0.12 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 2ens s VAL 89 Cb -0.13 -3.22 0.09 0.00 0.00 0.00 0.00 36.38 33.12 2ens s VAL 89 CO 0.04 0.04 0.86 -0.94 0.00 0.00 0.00 175.10 175.10 2ens s SER 90 N 1.55 6.22 -0.73 3.32 1.04 -1.26 -1.12 113.70 122.73 2ens s SER 90 Ca 0.03 -1.30 -0.27 0.00 0.48 0.00 0.00 55.95 54.89 2ens s SER 90 Cb -0.17 -2.36 0.03 0.00 0.10 0.00 0.00 66.02 63.62 2ens s SER 90 CO 0.04 -1.25 1.27 -0.63 0.98 0.00 0.00 173.24 173.65 2ens s ILE 91 N 3.27 3.75 0.32 -1.02 -1.09 -0.90 -4.69 121.20 120.84 2ens s ILE 91 Ca 0.18 0.45 0.07 0.00 -2.23 0.00 0.00 60.65 59.13 2ens s ILE 91 Cb -0.19 -4.90 -0.03 0.00 -1.58 0.00 0.00 42.46 35.76 2ens s ILE 91 CO 0.07 -1.81 0.30 -0.44 -1.23 0.00 0.00 174.94 171.83 2ens s SER 92 N 3.67 5.43 -0.06 3.58 0.01 -0.99 -3.28 113.70 122.05 2ens s SER 92 Ca 0.36 -0.41 -0.09 0.00 1.31 0.00 0.00 55.95 57.11 2ens s SER 92 Cb -0.08 -1.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 2ens s SER 92 CO 0.16 -0.31 0.24 -0.63 0.41 0.00 0.00 173.24 173.11 2ens s ILE 93 N -2.26 5.32 -0.03 1.44 1.01 -1.26 -2.00 121.20 123.43 2ens s ILE 93 Ca 0.40 0.41 -0.10 0.00 0.00 0.00 0.00 60.65 61.36 2ens s ILE 93 Cb -0.07 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 2ens s ILE 93 CO 0.27 0.57 0.30 -0.63 0.00 0.00 0.00 174.94 175.45 2ens s ILE 94 N -1.08 5.24 0.16 2.92 1.01 -1.04 -4.87 121.20 123.54 2ens s ILE 94 Ca 0.19 0.49 -0.17 0.00 0.00 0.00 0.00 60.65 61.16 2ens s ILE 94 Cb -0.14 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 2ens s ILE 94 CO 0.09 0.53 0.61 -1.83 0.00 0.00 0.00 174.94 174.34 2ens s GLU 95 N -1.25 4.11 0.00 2.79 -1.05 -1.26 -4.37 118.70 117.68 2ens s GLU 95 Ca 0.22 0.66 0.16 0.00 -0.15 0.00 0.00 54.97 55.86 2ens s GLU 95 Cb -0.14 -2.97 0.93 0.00 -0.44 0.00 0.00 34.13 31.51 2ens s GLU 95 CO 0.11 0.48 1.35 -0.35 0.95 0.00 0.00 175.26 177.80