#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 7.18 0.19 1.61 0.15 -1.26 -5.06 113.70 116.51 2ens s SER 2 Ca 0.00 1.43 -0.17 0.00 0.70 0.00 0.00 55.95 57.91 2ens s SER 2 Cb 0.00 -2.42 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 2ens s SER 2 CO 0.00 0.20 0.64 -0.55 1.20 0.00 0.00 173.24 174.73 2ens s SER 3 N -1.26 6.95 0.00 5.45 0.15 -1.26 -4.88 113.70 118.85 2ens s SER 3 Ca 0.35 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.26 2ens s SER 3 Cb -0.20 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2ens s SER 3 CO 0.22 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2ens n GLY 4 N 0.74 -0.53 4.01 9.45 0.00 -1.26 -5.15 105.19 112.45 2ens n GLY 4 Ca -0.04 0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 5.31 0.00 1.61 0.01 -1.26 -5.01 113.70 112.36 2ens s SER 5 Ca 0.00 -0.50 0.27 0.00 1.31 0.00 0.00 55.95 57.03 2ens s SER 5 Cb 0.00 -0.32 0.89 0.00 0.21 0.00 0.00 66.02 66.80 2ens s SER 5 CO 0.00 -1.10 1.65 -1.54 0.41 0.00 0.00 173.24 172.66 2ens n SER 6 N -2.13 1.15 0.00 2.44 3.41 -1.26 -4.88 113.62 112.35 2ens n SER 6 Ca 0.11 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2ens n SER 6 Cb 0.60 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 2ens n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ens n GLY 7 N 1.28 1.06 2.80 5.00 0.00 -1.26 -5.13 105.19 108.94 2ens n GLY 7 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2ens n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ens s LEU 8 N 0.00 0.86 -0.21 0.99 0.20 -1.26 -5.12 118.68 114.14 2ens s LEU 8 Ca 0.00 -0.28 -0.15 0.00 0.69 0.00 0.00 54.13 54.40 2ens s LEU 8 Cb 0.00 -0.57 0.06 0.00 -0.43 0.00 0.00 46.19 45.25 2ens s LEU 8 CO 0.00 -0.20 0.53 -1.61 -0.29 0.00 0.00 176.35 174.79 2ens s GLU 9 N 1.88 0.57 -0.25 1.98 2.02 -1.26 -5.03 118.70 118.61 2ens s GLU 9 Ca 0.04 0.88 -0.08 0.00 0.02 0.00 0.00 54.97 55.82 2ens s GLU 9 Cb -0.13 0.15 -0.12 0.00 0.10 0.00 0.00 34.13 34.13 2ens s GLU 9 CO -0.06 -0.12 -0.30 0.39 0.02 0.00 0.00 175.26 175.19 2ens n GLU 10 N 3.66 0.56 -1.49 1.61 4.71 -1.26 -4.99 120.64 123.45 2ens n GLU 10 Ca -0.18 0.21 -0.54 0.00 -0.01 0.00 0.00 57.16 56.63 2ens n GLU 10 Cb 0.57 -1.43 -0.06 0.00 -1.01 0.00 0.00 31.44 29.50 2ens n GLU 10 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2ens n VAL 11 N -3.87 0.67 -3.81 2.62 0.31 -1.26 -4.90 118.33 108.09 2ens n VAL 11 Ca -0.48 -0.17 -0.28 0.00 -0.01 0.00 0.00 64.34 63.40 2ens n VAL 11 Cb 0.89 -0.15 -0.16 0.00 -0.91 0.00 0.00 33.84 33.51 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 -0.31 0.99 -0.10 5.55 0.74 -1.26 -4.91 119.66 120.37 2ens s GLN 12 Ca 0.81 -0.48 -0.23 0.00 0.05 0.00 0.00 55.36 55.51 2ens s GLN 12 Cb -1.11 -2.04 -0.03 0.00 1.10 0.00 0.00 33.01 30.93 2ens s GLN 12 CO 0.56 -0.55 0.69 -1.17 -0.55 0.00 0.00 175.29 174.27 2ens s LEU 13 N 1.74 4.27 -0.39 3.68 2.96 -1.26 -4.16 118.68 125.53 2ens s LEU 13 Ca -0.01 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.04 2ens s LEU 13 Cb -0.16 -3.04 0.11 0.00 0.50 0.00 0.00 46.19 43.60 2ens s LEU 13 CO -0.07 -0.16 0.14 -0.69 -1.32 0.00 0.00 176.35 174.25 2ens s VAL 14 N 1.09 1.82 0.39 1.68 1.01 0.52 -4.99 120.40 121.92 2ens s VAL 14 Ca 0.35 -2.35 -0.23 0.00 0.00 0.00 0.00 61.98 59.75 2ens s VAL 14 Cb -0.17 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.78 2ens s VAL 14 CO 0.16 -0.72 0.95 -0.69 0.00 0.00 0.00 175.10 174.80 2ens s VAL 15 N 0.73 4.29 -0.23 2.92 1.01 -1.26 -2.16 120.40 125.70 2ens s VAL 15 Ca 0.13 1.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 2ens s VAL 15 Cb -0.21 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.46 2ens s VAL 15 CO -0.09 -0.12 -0.00 -1.61 0.00 0.00 0.00 175.10 173.28 2ens s GLU 16 N -2.69 1.14 0.67 2.72 0.41 0.23 0.55 118.70 121.73 2ens s GLU 16 Ca 0.57 -0.79 -0.14 0.00 -0.41 0.00 0.00 54.97 54.20 2ens s GLU 16 Cb -0.13 -2.35 0.01 0.00 -1.78 0.00 0.00 34.13 29.87 2ens s GLU 16 CO 0.18 -0.66 1.11 -1.25 -0.49 0.00 0.00 175.26 174.15 2ens s PRO 17 N 1.59 2.74 0.48 0.39 0.04 -1.26 -1.62 135.00 137.36 2ens s PRO 17 Ca -0.02 1.36 0.31 0.00 0.04 0.00 0.00 61.00 62.70 2ens s PRO 17 Cb -0.18 -1.94 1.28 0.00 0.04 0.00 0.00 34.50 33.70 2ens s PRO 17 CO -0.09 -1.30 1.92 1.05 0.04 0.00 0.00 177.00 178.62 2ens h GLU 18 N -0.11 0.00 -0.08 4.56 9.09 -0.27 -2.94 114.58 124.84 2ens h GLU 18 Ca -0.46 0.00 0.02 0.00 0.05 0.00 0.00 59.36 58.97 2ens h GLU 18 Cb 1.24 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2ens h GLU 18 CO 0.54 0.00 0.06 0.78 0.05 0.00 0.00 179.01 180.44 2ens h GLY 19 N 2.09 0.00 -0.80 1.06 0.00 -1.98 -3.45 103.07 99.99 2ens h GLY 19 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2ens h GLY 19 CO 0.00 0.00 -0.15 0.61 0.00 0.00 0.00 176.54 177.00 2ens n GLY 20 N -1.46 0.20 3.01 4.60 0.00 -1.11 -4.99 105.19 105.43 2ens n GLY 20 Ca -0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.29 -0.56 0.04 4.61 0.00 -1.26 -1.80 121.76 120.49 2ens s ALA 21 Ca 0.00 0.94 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 2ens s ALA 21 Cb 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 2ens s ALA 21 CO 0.00 -0.64 -0.03 0.14 0.00 0.00 0.00 175.76 175.23 2ens s VAL 22 N 2.40 0.17 1.02 0.00 -7.23 -1.00 -4.81 120.40 110.95 2ens s VAL 22 Ca 0.01 -1.38 -0.12 0.00 -1.81 0.00 0.00 61.98 58.68 2ens s VAL 22 Cb -0.12 -0.92 0.18 0.00 0.56 0.00 0.00 36.38 36.08 2ens s VAL 22 CO -0.09 -0.76 0.93 0.00 -0.31 0.00 0.00 175.10 174.88 2ens n ALA 23 N 0.82 -1.93 -2.04 1.32 0.00 -1.26 -1.71 120.51 115.71 2ens n ALA 23 Ca -0.19 -0.81 -0.33 0.00 0.00 0.00 0.00 53.44 52.11 2ens n ALA 23 Cb 0.58 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.95 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 -4.35 2.59 0.00 0.00 0.04 -1.26 -2.58 135.00 129.44 2ens s PRO 24 Ca 0.65 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2ens s PRO 24 Cb -0.23 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.63 2ens s PRO 24 CO 0.62 -3.02 0.00 0.41 0.04 0.00 0.00 177.00 175.05 2ens n GLY 25 N 6.21 1.96 0.00 0.56 0.00 0.30 -4.95 105.19 109.27 2ens n GLY 25 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.11 1.10 2.79 -0.02 0.00 -1.06 -4.21 105.19 103.68 2ens n GLY 26 Ca 0.00 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 43.98 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 1.44 -0.28 -0.02 2.61 2.01 -1.26 0.77 115.64 120.92 2ens s THR 27 Ca 0.00 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.13 2ens s THR 27 Cb 0.00 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 2ens s THR 27 CO 0.00 -0.05 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.10 2ens s VAL 28 N 2.30 3.48 -0.20 3.82 1.01 -1.15 -4.75 120.40 124.92 2ens s VAL 28 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2ens s VAL 28 Cb -0.14 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.81 2ens s VAL 28 CO -0.09 0.46 -0.14 -0.89 0.00 0.00 0.00 175.10 174.44 2ens s THR 29 N -0.91 1.87 -0.40 3.92 2.01 -0.64 -0.47 115.64 121.02 2ens s THR 29 Ca 0.15 -1.06 -0.13 0.00 0.31 0.00 0.00 61.69 60.96 2ens s THR 29 Cb -0.11 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.59 2ens s THR 29 CO 0.05 0.29 0.27 -0.76 -0.69 0.00 0.00 174.62 173.78 2ens s LEU 30 N 1.32 5.02 -0.20 4.42 1.02 0.06 -0.60 118.68 129.72 2ens s LEU 30 Ca 0.00 -1.04 -0.09 0.00 0.02 0.00 0.00 54.13 53.03 2ens s LEU 30 Cb -0.15 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 2ens s LEU 30 CO -0.09 -0.46 0.09 -0.89 0.02 0.00 0.00 176.35 175.02 2ens s THR 31 N 1.60 5.02 -0.39 5.49 2.01 -0.92 -1.52 115.64 126.93 2ens s THR 31 Ca 0.03 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2ens s THR 31 Cb -0.20 -3.28 0.43 0.00 0.01 0.00 0.00 72.50 69.46 2ens s THR 31 CO 0.08 0.44 1.13 0.00 -0.69 0.00 0.00 174.62 175.57 2ens n GLU 33 N -0.53 -0.04 -4.91 0.00 1.02 -1.26 -4.78 120.64 110.15 2ens n GLU 33 Ca 0.39 0.02 -0.27 0.00 -0.02 0.00 0.00 57.16 57.28 2ens n GLU 33 Cb 0.75 -1.60 -0.16 0.00 -0.02 0.00 0.00 31.44 30.41 2ens n GLU 33 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ens s VAL 34 N -2.14 1.55 -0.02 2.62 1.01 -1.26 -4.14 120.40 118.02 2ens s VAL 34 Ca 0.55 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 2ens s VAL 34 Cb -0.26 -1.34 -0.18 0.00 0.00 0.00 0.00 36.38 34.59 2ens s VAL 34 CO 0.68 0.44 1.17 1.55 0.00 0.00 0.00 175.10 178.95 2ens h PRO 35 N 6.40 -0.14 0.14 2.72 0.13 -1.94 -3.39 132.00 135.92 2ens h PRO 35 Ca -0.30 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2ens h PRO 35 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ens h PRO 35 CO 0.48 0.29 -0.07 0.00 -0.23 0.00 0.00 178.00 178.47 2ens h ALA 36 N 0.16 -0.43 -2.42 -0.56 0.00 -1.99 -3.44 119.26 110.58 2ens h ALA 36 Ca -0.01 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.31 2ens h ALA 36 Cb 0.50 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ens h ALA 36 CO 0.02 -0.42 0.65 -1.14 0.00 0.00 0.00 179.25 178.36 2ens s GLN 37 N -2.30 4.38 -0.02 0.00 2.00 -1.26 -4.96 119.66 117.51 2ens s GLN 37 Ca -0.03 1.78 -0.25 0.00 -2.00 0.00 0.00 55.36 54.87 2ens s GLN 37 Cb 0.00 -3.43 -0.19 0.00 0.80 0.00 0.00 33.01 30.19 2ens s GLN 37 CO 0.08 -0.36 1.19 -1.00 -0.50 0.00 0.00 175.29 174.70 2ens h PRO 38 N 7.14 -0.12 -2.07 1.67 0.13 -1.86 -3.38 132.00 133.51 2ens h PRO 38 Ca -0.39 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.21 2ens h PRO 38 Cb 1.19 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2ens h PRO 38 CO 0.85 0.33 -1.01 0.43 -0.23 0.00 0.00 178.00 178.36 2ens n SER 39 N -4.92 1.54 -2.79 1.44 7.64 -1.26 -4.79 113.62 110.47 2ens n SER 39 Ca -0.09 -3.06 -0.08 0.00 1.01 0.00 0.00 58.87 56.65 2ens n SER 39 Cb 0.25 -0.62 0.07 0.00 -1.01 0.00 0.00 64.21 62.90 2ens n SER 39 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ens n PRO 40 N 0.64 -1.60 -3.65 1.43 -0.04 -1.26 -5.01 135.00 125.50 2ens n PRO 40 Ca 0.25 -0.47 -0.39 0.00 -0.04 0.00 0.00 63.50 62.85 2ens n PRO 40 Cb 0.55 -0.44 -0.12 0.00 -0.04 0.00 0.00 33.50 33.44 2ens n PRO 40 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2ens s GLN 41 N -3.67 3.16 -0.22 0.54 -1.52 -1.23 -4.84 119.66 111.89 2ens s GLN 41 Ca 0.19 -0.84 -0.06 0.00 -1.95 0.00 0.00 55.36 52.71 2ens s GLN 41 Cb -0.02 -3.59 -0.03 0.00 -0.22 0.00 0.00 33.01 29.15 2ens s GLN 41 CO 0.15 -0.50 0.03 0.42 -0.25 0.00 0.00 175.29 175.14 2ens s ILE 42 N 1.58 4.17 -0.11 1.08 1.09 -1.26 -1.84 121.20 125.91 2ens s ILE 42 Ca 0.04 -0.23 -0.01 0.00 -1.10 0.00 0.00 60.65 59.35 2ens s ILE 42 Cb -0.18 -2.91 -0.02 0.00 -1.06 0.00 0.00 42.46 38.29 2ens s ILE 42 CO 0.06 0.40 -0.08 -1.00 -0.10 0.00 0.00 174.94 174.22 2ens s HIS 43 N 1.16 2.91 -0.21 3.97 3.76 -0.79 -2.87 115.29 123.22 2ens s HIS 43 Ca 0.04 -0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 54.56 2ens s HIS 43 Cb -0.14 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.68 2ens s HIS 43 CO 0.02 0.05 0.15 -1.58 -0.85 0.00 0.00 174.74 172.54 2ens s TRP 44 N -0.11 3.39 0.07 1.40 0.52 -1.26 -0.32 118.94 122.63 2ens s TRP 44 Ca 0.01 0.33 0.05 0.00 0.02 0.00 0.00 56.10 56.51 2ens s TRP 44 Cb -0.13 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 2ens s TRP 44 CO 0.03 0.23 -0.15 -1.64 0.02 0.00 0.00 176.95 175.44 2ens s MET 45 N 0.54 0.86 -0.25 4.98 -1.94 -1.18 -3.06 119.30 119.25 2ens s MET 45 Ca 0.09 -0.95 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 2ens s MET 45 Cb -0.12 -0.90 0.06 0.00 2.01 0.00 0.00 34.83 35.88 2ens s MET 45 CO 0.00 0.20 -0.08 0.21 -0.01 0.00 0.00 175.02 175.34 2ens s LYS 46 N -1.69 1.96 -1.25 2.03 2.20 0.54 -3.31 119.74 120.22 2ens s LYS 46 Ca -0.01 -1.20 -0.06 0.00 -0.36 0.00 0.00 55.97 54.34 2ens s LYS 46 Cb -0.10 -2.76 0.01 0.00 -1.51 0.00 0.00 37.83 33.47 2ens s LYS 46 CO 0.02 -0.59 1.08 -0.25 -0.36 0.00 0.00 175.35 175.26 2ens n ASP 47 N 4.53 -4.85 -1.33 1.43 8.00 -1.16 -2.29 116.55 120.88 2ens n ASP 47 Ca -0.13 -0.54 -0.10 0.00 0.71 0.00 0.00 54.79 54.73 2ens n ASP 47 Cb 0.43 -4.88 0.01 0.00 -0.02 0.00 0.00 41.12 36.65 2ens n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ens n GLY 48 N -1.68 0.03 2.80 0.44 0.00 -1.26 -5.03 105.19 100.49 2ens n GLY 48 Ca -0.08 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.65 0.38 -0.45 1.61 1.01 -0.97 -5.10 120.40 114.23 2ens s VAL 49 Ca 0.07 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 2ens s VAL 49 Cb -0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2ens s VAL 49 CO 0.08 0.23 1.76 -2.16 0.00 0.00 0.00 175.10 175.02 2ens s PRO 50 N 1.60 3.11 0.38 2.72 0.04 -1.26 -0.34 135.00 141.26 2ens s PRO 50 Ca -0.01 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.83 2ens s PRO 50 Cb -0.13 -4.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.08 2ens s PRO 50 CO -0.03 -2.13 1.12 -0.51 0.04 0.00 0.00 177.00 175.48 2ens s LEU 51 N 7.45 4.22 -1.14 -3.56 1.43 -1.17 -4.91 118.68 120.99 2ens s LEU 51 Ca 0.72 2.23 -0.23 0.00 -1.03 0.00 0.00 54.13 55.82 2ens s LEU 51 Cb -0.17 -4.03 -0.08 0.00 0.03 0.00 0.00 46.19 41.93 2ens s LEU 51 CO 0.29 -0.54 1.94 -2.16 0.23 0.00 0.00 176.35 176.10 2ens s PRO 52 N -2.26 2.49 0.06 1.29 0.04 -1.26 -4.86 135.00 130.50 2ens s PRO 52 Ca 0.56 -1.03 -0.17 0.00 0.04 0.00 0.00 61.00 60.40 2ens s PRO 52 Cb -0.28 -5.21 0.03 0.00 0.04 0.00 0.00 34.50 29.08 2ens s PRO 52 CO 0.35 -3.91 0.39 -0.51 0.04 0.00 0.00 177.00 173.36 2ens s LEU 53 N 10.95 0.49 0.25 -3.56 1.43 -1.26 -5.15 118.68 121.83 2ens s LEU 53 Ca 0.69 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.38 2ens s LEU 53 Cb -0.02 1.69 -0.09 0.00 0.03 0.00 0.00 46.19 47.80 2ens s LEU 53 CO 0.11 -0.70 1.27 -2.16 0.23 0.00 0.00 176.35 175.10 2ens s PRO 54 N -2.80 4.43 -0.82 1.29 0.04 -1.26 -4.93 135.00 130.94 2ens s PRO 54 Ca -0.03 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.81 2ens s PRO 54 Cb -0.00 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2ens s PRO 54 CO -0.05 -0.14 1.92 -1.25 0.04 0.00 0.00 177.00 177.52 2ens s PRO 55 N -0.86 2.57 0.16 0.56 0.04 -1.26 -4.92 135.00 131.29 2ens s PRO 55 Ca 0.52 -0.04 0.10 0.00 0.04 0.00 0.00 61.00 61.62 2ens s PRO 55 Cb -0.37 -4.87 -0.04 0.00 0.04 0.00 0.00 34.50 29.26 2ens s PRO 55 CO 0.43 -3.20 -0.22 -1.54 0.04 0.00 0.00 177.00 172.51 2ens s SER 56 N 8.06 3.01 0.00 6.66 1.04 -1.14 -4.45 113.70 126.88 2ens s SER 56 Ca 0.69 -0.82 0.14 0.00 0.48 0.00 0.00 55.95 56.44 2ens s SER 56 Cb -0.08 -0.20 0.67 0.00 0.10 0.00 0.00 66.02 66.51 2ens s SER 56 CO 0.05 0.06 1.43 -0.81 0.98 0.00 0.00 173.24 174.96 2ens n PRO 57 N 0.48 0.09 -3.94 4.02 -0.04 -1.26 -4.57 135.00 129.78 2ens n PRO 57 Ca -0.14 0.21 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 2ens n PRO 57 Cb 0.56 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.81 0.46 -0.30 0.52 1.01 -1.26 -2.03 120.40 115.99 2ens s VAL 58 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 2ens s VAL 58 Cb 0.10 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.96 2ens s VAL 58 CO 0.24 0.25 0.02 -0.22 0.00 0.00 0.00 175.10 175.39 2ens s LEU 59 N 1.49 3.85 -0.28 3.92 2.96 -0.58 -4.96 118.68 125.08 2ens s LEU 59 Ca -0.02 -1.12 -0.10 0.00 -0.22 0.00 0.00 54.13 52.68 2ens s LEU 59 Cb -0.13 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2ens s LEU 59 CO -0.03 -0.24 0.14 -0.63 -1.32 0.00 0.00 176.35 174.27 2ens s ILE 60 N 1.32 4.80 -0.96 6.68 1.09 -1.26 -0.76 121.20 132.11 2ens s ILE 60 Ca -0.03 -0.10 -0.04 0.00 -1.10 0.00 0.00 60.65 59.38 2ens s ILE 60 Cb -0.19 -3.32 0.24 0.00 -1.06 0.00 0.00 42.46 38.13 2ens s ILE 60 CO -0.01 0.22 0.91 0.18 -0.10 0.00 0.00 174.94 176.15 2ens n LEU 61 N 5.00 4.67 -4.77 2.97 4.77 0.38 -4.97 117.00 125.04 2ens n LEU 61 Ca -0.15 -5.12 -0.37 0.00 -0.03 0.00 0.00 56.01 50.34 2ens n LEU 61 Cb 0.51 -1.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.39 2ens n LEU 61 CO 0.33 1.52 0.83 -2.16 -1.33 0.00 0.00 177.39 176.58 2ens s PRO 62 N -1.46 3.80 -1.24 3.23 0.04 -1.26 -2.94 135.00 135.17 2ens s PRO 62 Ca 0.29 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 2ens s PRO 62 Cb -0.07 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 2ens s PRO 62 CO -0.10 -0.52 0.68 0.39 0.04 0.00 0.00 177.00 177.49 2ens n GLU 63 N -0.40 -2.68 -1.45 4.56 -0.58 0.23 -4.91 120.64 115.42 2ens n GLU 63 Ca 0.07 0.50 -0.35 0.00 -0.42 0.00 0.00 57.16 56.96 2ens n GLU 63 Cb 0.48 -4.56 0.09 0.00 -0.57 0.00 0.00 31.44 26.88 2ens n GLU 63 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2ens s ILE 64 N -3.64 2.19 0.00 -3.67 1.01 0.15 -4.67 121.20 112.57 2ens s ILE 64 Ca 0.24 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2ens s ILE 64 Cb -0.08 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.66 2ens s ILE 64 CO 0.85 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.36 2ens n GLY 65 N 0.54 4.75 0.17 6.18 0.00 -1.26 0.11 105.19 115.67 2ens n GLY 65 Ca 0.14 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 0.03 -0.03 1.61 0.13 -1.98 -2.97 132.00 128.79 2ens h PRO 66 Ca 0.00 -0.01 -0.13 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 31.12 2ens h PRO 66 CO 0.00 0.51 -0.59 1.96 -0.23 0.00 0.00 178.00 179.64 2ens h GLN 67 N 0.02 0.11 -0.86 0.86 1.08 -2.01 -3.09 115.11 111.22 2ens h GLN 67 Ca -0.00 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2ens h GLN 67 Cb 0.86 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.26 2ens h GLN 67 CO 0.06 0.67 0.52 -0.44 -0.95 0.00 0.00 178.83 178.70 2ens h ASP 68 N 0.08 1.03 -1.42 1.46 5.19 -1.92 -3.44 116.42 117.40 2ens h ASP 68 Ca -0.01 -0.06 -0.64 0.00 -0.62 0.00 0.00 57.03 55.71 2ens h ASP 68 Cb 1.07 -0.26 0.14 0.00 0.18 0.00 0.00 39.33 40.46 2ens h ASP 68 CO 0.08 0.78 -0.78 0.00 -3.12 0.00 0.00 179.24 176.21 2ens n GLN 69 N -4.37 0.01 -0.36 3.56 6.02 -1.17 -4.84 117.38 116.23 2ens n GLN 69 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2ens n GLN 69 Cb 0.06 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.31 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 2.20 0.74 3.74 1.08 0.00 -0.75 -4.96 105.19 107.24 2ens n GLY 70 Ca 0.14 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.64 4.94 -0.12 2.61 -4.23 -1.26 -0.23 115.64 115.71 2ens s THR 71 Ca 0.00 1.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 2ens s THR 71 Cb 0.00 -3.99 0.02 0.00 1.34 0.00 0.00 72.50 69.87 2ens s THR 71 CO 0.00 0.35 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.01 2ens s TYR 72 N 0.22 1.74 -0.01 3.99 1.51 0.08 -2.99 117.35 121.90 2ens s TYR 72 Ca 0.34 -0.89 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 2ens s TYR 72 Cb -0.18 -1.35 -0.00 0.00 -0.11 0.00 0.00 41.96 40.31 2ens s TYR 72 CO 0.18 -0.54 -0.07 0.45 -1.11 0.00 0.00 175.55 174.46 2ens s SER 73 N 1.46 0.86 -0.23 2.29 0.15 -1.21 -2.81 113.70 114.22 2ens s SER 73 Ca 0.02 -0.13 -0.17 0.00 0.70 0.00 0.00 55.95 56.37 2ens s SER 73 Cb -0.13 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 2ens s SER 73 CO -0.07 0.08 0.45 0.00 1.20 0.00 0.00 173.24 174.90 2ens s VAL 75 N 1.74 5.46 0.09 0.00 1.01 0.56 -2.82 120.40 126.44 2ens s VAL 75 Ca 0.20 -2.10 -0.24 0.00 0.00 0.00 0.00 61.98 59.84 2ens s VAL 75 Cb -0.15 -4.42 -0.07 0.00 0.00 0.00 0.00 36.38 31.74 2ens s VAL 75 CO 0.09 -0.97 0.71 0.00 0.00 0.00 0.00 175.10 174.93 2ens s ALA 76 N 0.71 3.45 -0.07 5.51 0.00 0.34 -1.88 121.76 129.82 2ens s ALA 76 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2ens s ALA 76 Cb -0.18 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2ens s ALA 76 CO -0.04 0.22 -0.05 0.95 0.00 0.00 0.00 175.76 176.84 2ens s THR 77 N -0.65 0.69 0.34 0.00 -4.23 -0.77 -0.83 115.64 110.19 2ens s THR 77 Ca 0.35 -0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.64 2ens s THR 77 Cb -0.21 -0.74 0.02 0.00 1.34 0.00 0.00 72.50 72.91 2ens s THR 77 CO 0.23 0.29 0.58 -1.38 -0.54 0.00 0.00 174.62 173.80 2ens s HIS 78 N 1.44 0.62 0.09 3.99 -3.43 -0.28 -3.53 115.29 114.19 2ens s HIS 78 Ca -0.02 -1.02 -0.33 0.00 -0.80 0.00 0.00 55.06 52.89 2ens s HIS 78 Cb -0.13 0.27 -0.15 0.00 -1.43 0.00 0.00 32.58 31.14 2ens s HIS 78 CO -0.03 -1.26 1.60 1.03 -2.00 0.00 0.00 174.74 174.08 2ens h SER 79 N 2.09 -1.09 -0.97 7.38 0.87 -2.00 -2.44 113.55 117.39 2ens h SER 79 Ca -0.29 0.09 0.29 0.00 -1.23 0.00 0.00 61.79 60.65 2ens h SER 79 Cb 1.24 0.36 -0.17 0.00 -0.44 0.00 0.00 62.40 63.39 2ens h SER 79 CO 0.38 -0.56 0.16 0.77 -0.53 0.00 0.00 176.83 177.05 2ens h SER 80 N -0.85 -0.25 -3.43 6.23 4.64 -2.02 -3.39 113.55 114.48 2ens h SER 80 Ca -0.04 0.26 -0.17 0.00 -0.47 0.00 0.00 61.79 61.37 2ens h SER 80 Cb 0.75 0.41 -0.28 0.00 -0.31 0.00 0.00 62.40 62.96 2ens h SER 80 CO -0.05 -0.33 -0.41 -1.00 -0.87 0.00 0.00 176.83 174.17 2ens s HIS 81 N -5.91 -0.40 0.00 4.77 4.02 -0.92 -5.15 115.29 111.70 2ens s HIS 81 Ca -0.12 0.91 0.00 0.00 1.02 0.00 0.00 55.06 56.87 2ens s HIS 81 Cb 0.29 0.12 0.00 0.00 -1.02 0.00 0.00 32.58 31.97 2ens s HIS 81 CO 0.78 -0.24 0.00 0.41 1.02 0.00 0.00 174.74 176.70 2ens n GLY 82 N 3.93 -3.00 3.55 -2.22 0.00 -1.20 -1.13 105.19 105.13 2ens n GLY 82 Ca -0.22 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.18 1.61 0.04 -1.26 -3.62 135.00 134.18 2ens s PRO 83 Ca 0.00 0.16 -0.07 0.00 0.04 0.00 0.00 61.00 61.13 2ens s PRO 83 Cb 0.00 -4.72 -0.04 0.00 0.04 0.00 0.00 34.50 29.78 2ens s PRO 83 CO 0.00 -3.05 0.05 -1.14 0.04 0.00 0.00 177.00 172.90 2ens s GLN 84 N 7.02 3.93 -0.08 4.56 2.00 -0.01 -5.01 119.66 132.07 2ens s GLN 84 Ca 0.69 -0.36 0.04 0.00 -2.00 0.00 0.00 55.36 53.72 2ens s GLN 84 Cb -0.10 -3.18 0.00 0.00 0.80 0.00 0.00 33.01 30.54 2ens s GLN 84 CO 0.10 0.28 -0.20 -2.00 -0.50 0.00 0.00 175.29 172.97 2ens s GLU 85 N 0.33 2.51 0.73 1.67 2.12 -1.26 -0.50 118.70 124.29 2ens s GLU 85 Ca 0.03 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.57 2ens s GLU 85 Cb -0.12 -1.98 0.10 0.00 0.26 0.00 0.00 34.13 32.39 2ens s GLU 85 CO 0.00 0.18 1.02 -1.54 -0.54 0.00 0.00 175.26 174.38 2ens s SER 86 N 0.32 4.46 1.04 -1.70 1.04 -1.13 -5.04 113.70 112.69 2ens s SER 86 Ca -0.14 0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.20 2ens s SER 86 Cb -0.16 -0.59 0.01 0.00 0.10 0.00 0.00 66.02 65.38 2ens s SER 86 CO 0.06 -1.80 -0.18 0.54 0.98 0.00 0.00 173.24 172.84 2ens n ARG 87 N -2.94 -0.79 -3.72 4.02 5.12 -1.26 -4.71 116.66 112.37 2ens n ARG 87 Ca 0.11 -0.21 -0.37 0.00 -1.93 0.00 0.00 57.85 55.45 2ens n ARG 87 Cb 0.60 -1.57 -0.12 0.00 -1.16 0.00 0.00 32.46 30.21 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 -2.23 3.20 -0.18 7.54 0.00 -1.26 -4.60 121.76 124.23 2ens s ALA 88 Ca 0.52 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 2ens s ALA 88 Cb -0.12 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 2ens s ALA 88 CO 0.68 -0.63 0.12 0.54 0.00 0.00 0.00 175.76 176.47 2ens s VAL 89 N 1.61 5.31 -0.40 0.00 0.11 -1.12 -4.90 120.40 121.00 2ens s VAL 89 Ca 0.06 0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.06 2ens s VAL 89 Cb -0.16 -3.40 0.01 0.00 -1.53 0.00 0.00 36.38 31.31 2ens s VAL 89 CO 0.05 0.48 0.55 -0.94 -3.33 0.00 0.00 175.10 171.91 2ens s SER 90 N 0.11 6.30 -0.34 3.54 1.04 -1.26 -0.74 113.70 122.35 2ens s SER 90 Ca 0.08 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 56.00 2ens s SER 90 Cb -0.11 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2ens s SER 90 CO -0.01 -0.63 0.73 -0.63 0.98 0.00 0.00 173.24 173.69 2ens s ILE 91 N 2.52 4.81 0.27 -1.02 -1.09 0.68 -4.76 121.20 122.62 2ens s ILE 91 Ca 0.19 0.90 0.11 0.00 -2.23 0.00 0.00 60.65 59.62 2ens s ILE 91 Cb -0.15 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 2ens s ILE 91 CO 0.16 -0.32 -0.18 -0.44 -1.23 0.00 0.00 174.94 172.93 2ens s SER 92 N 1.74 3.36 -0.10 3.58 0.01 -0.75 -1.81 113.70 119.73 2ens s SER 92 Ca 0.29 -1.05 -0.13 0.00 1.31 0.00 0.00 55.95 56.38 2ens s SER 92 Cb -0.14 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 2ens s SER 92 CO 0.15 -0.04 0.30 -0.63 0.41 0.00 0.00 173.24 173.43 2ens s ILE 93 N -2.63 5.26 0.06 1.44 1.01 -1.26 -2.37 121.20 122.71 2ens s ILE 93 Ca 0.29 0.58 -0.22 0.00 0.00 0.00 0.00 60.65 61.30 2ens s ILE 93 Cb -0.03 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 2ens s ILE 93 CO 0.13 0.49 0.65 -0.63 0.00 0.00 0.00 174.94 175.58 2ens s ILE 94 N -0.28 4.72 0.44 2.92 1.01 -0.69 -4.88 121.20 124.44 2ens s ILE 94 Ca 0.19 1.38 -0.25 0.00 0.00 0.00 0.00 60.65 61.97 2ens s ILE 94 Cb -0.14 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 2ens s ILE 94 CO 0.07 0.48 1.30 -1.83 0.00 0.00 0.00 174.94 174.95 2ens s GLU 95 N -0.67 3.78 0.00 2.79 1.03 -1.26 -4.33 118.70 120.04 2ens s GLU 95 Ca 0.32 2.12 0.16 0.00 0.03 0.00 0.00 54.97 57.60 2ens s GLU 95 Cb -0.20 -2.61 0.93 0.00 -0.80 0.00 0.00 34.13 31.46 2ens s GLU 95 CO 0.20 -0.64 1.35 -0.35 -1.33 0.00 0.00 175.26 174.49