#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctd s SER 2 N 0.00 2.32 -0.19 1.61 1.04 -1.26 -5.04 113.70 112.18 2ctd s SER 2 Ca 0.00 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.82 2ctd s SER 2 Cb 0.00 -0.90 -0.18 0.00 0.10 0.00 0.00 66.02 65.04 2ctd s SER 2 CO 0.00 0.12 0.25 0.28 0.98 0.00 0.00 173.24 174.87 2ctd h SER 3 N 6.61 0.00 -1.33 7.02 0.02 -2.16 -3.51 113.55 120.20 2ctd h SER 3 Ca -0.28 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 2ctd h SER 3 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2ctd h SER 3 CO 0.47 1.35 0.00 0.61 -1.14 0.00 0.00 176.83 178.12 2ctd n GLY 4 N 1.48 -0.75 3.70 -3.77 0.00 -1.26 -5.11 105.19 99.49 2ctd n GLY 4 Ca -0.27 -2.15 -0.02 0.00 0.00 0.00 0.00 46.02 43.58 2ctd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctd s SER 5 N -4.00 -0.15 0.28 1.61 0.15 -1.26 -5.19 113.70 105.13 2ctd s SER 5 Ca 0.00 -0.30 -0.17 0.00 0.70 0.00 0.00 55.95 56.17 2ctd s SER 5 Cb 0.00 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 2ctd s SER 5 CO 0.00 -0.71 0.63 -0.55 1.20 0.00 0.00 173.24 173.81 2ctd s SER 6 N -2.91 -0.15 0.00 5.45 0.15 -1.26 -5.13 113.70 109.85 2ctd s SER 6 Ca 0.12 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2ctd s SER 6 Cb 0.00 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2ctd s SER 6 CO -0.00 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.75 2ctd n GLY 7 N -0.44 -2.09 3.76 9.45 0.00 -1.26 -5.15 105.19 109.45 2ctd n GLY 7 Ca -0.03 1.01 -0.39 0.00 0.00 0.00 0.00 46.02 46.61 2ctd n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctd s ARG 8 N 0.00 4.36 0.07 1.61 1.81 -1.26 -5.07 118.95 120.47 2ctd s ARG 8 Ca 0.00 0.81 0.09 0.00 -1.72 0.00 0.00 55.73 54.90 2ctd s ARG 8 Cb 0.00 -3.36 -0.03 0.00 -0.45 0.00 0.00 34.95 31.11 2ctd s ARG 8 CO 0.00 0.33 -0.23 0.96 -0.68 0.00 0.00 175.30 175.67 2ctd s ILE 9 N -0.08 1.90 -0.19 1.52 -4.36 -1.26 -5.14 121.20 113.60 2ctd s ILE 9 Ca 0.33 -1.43 -0.29 0.00 -0.26 0.00 0.00 60.65 59.01 2ctd s ILE 9 Cb -0.19 -1.67 0.13 0.00 1.25 0.00 0.00 42.46 41.98 2ctd s ILE 9 CO 0.18 0.17 1.01 0.00 0.24 0.00 0.00 174.94 176.54 2ctd s ARG 10 N -1.52 0.57 0.05 0.37 1.70 -1.26 -5.18 118.95 113.68 2ctd s ARG 10 Ca 0.10 0.26 0.00 0.00 -0.47 0.00 0.00 55.73 55.61 2ctd s ARG 10 Cb -0.10 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2ctd s ARG 10 CO 0.03 -0.15 -0.04 0.15 -1.08 0.00 0.00 175.30 174.20 2ctd s LYS 11 N -0.76 0.55 -0.20 3.89 1.02 -1.26 -5.15 119.74 117.83 2ctd s LYS 11 Ca -0.01 -0.99 -0.03 0.00 0.02 0.00 0.00 55.97 54.97 2ctd s LYS 11 Cb -0.02 0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.31 2ctd s LYS 11 CO -0.00 -0.05 -0.06 -1.21 -0.92 0.00 0.00 175.35 173.11 2ctd s GLU 12 N -2.80 3.39 0.88 1.68 8.01 -1.26 -5.11 118.70 123.50 2ctd s GLU 12 Ca -0.02 -0.63 -0.11 0.00 0.01 0.00 0.00 54.97 54.22 2ctd s GLU 12 Cb -0.01 -2.95 0.12 0.00 -4.31 0.00 0.00 34.13 26.99 2ctd s GLU 12 CO -0.05 -0.11 1.09 -1.25 0.01 0.00 0.00 175.26 174.95 2ctd s PRO 13 N 1.25 1.37 0.81 0.39 0.04 -1.26 -5.05 135.00 132.55 2ctd s PRO 13 Ca 0.03 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 61.78 2ctd s PRO 13 Cb -0.14 -1.82 0.20 0.00 0.04 0.00 0.00 34.50 32.78 2ctd s PRO 13 CO -0.02 -2.17 0.72 -0.35 0.04 0.00 0.00 177.00 175.22 2ctd n PRO 14 N -3.84 -2.44 0.18 0.56 -0.04 -1.26 -4.82 135.00 123.34 2ctd n PRO 14 Ca 0.07 -1.16 0.16 0.00 -0.04 0.00 0.00 63.50 62.54 2ctd n PRO 14 Cb 0.55 -1.08 0.60 0.00 -0.04 0.00 0.00 33.50 33.52 2ctd n PRO 14 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2ctd h VAL 15 N -2.32 0.11 -4.05 0.52 3.04 -2.06 -3.40 116.25 108.09 2ctd h VAL 15 Ca -0.27 0.00 -0.49 0.00 -1.01 0.00 0.00 66.70 64.93 2ctd h VAL 15 Cb 0.83 0.44 0.03 0.00 -2.01 0.00 0.00 31.29 30.58 2ctd h VAL 15 CO 0.18 0.00 0.30 -0.31 -1.01 0.00 0.00 177.57 176.72 2ctd s TYR 16 N -4.29 3.52 1.01 3.17 2.02 -1.26 -5.03 117.35 116.49 2ctd s TYR 16 Ca -0.03 1.24 -0.16 0.00 -0.37 0.00 0.00 57.07 57.74 2ctd s TYR 16 Cb 0.10 -2.63 -0.01 0.00 -0.40 0.00 0.00 41.96 39.03 2ctd s TYR 16 CO 0.34 -0.39 -0.11 0.00 -1.57 0.00 0.00 175.55 173.82 2ctd n ALA 17 N -1.94 -3.86 -2.29 3.71 0.00 -1.26 -4.80 120.51 110.07 2ctd n ALA 17 Ca 0.05 -0.86 -0.43 0.00 0.00 0.00 0.00 53.44 52.20 2ctd n ALA 17 Cb 0.54 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2ctd n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctd n ALA 18 N -3.57 4.82 -0.01 0.00 0.00 -1.26 -4.07 120.51 116.43 2ctd n ALA 18 Ca 0.03 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.40 2ctd n ALA 18 Cb 0.58 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.73 2ctd n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctd n GLY 19 N 3.96 0.56 3.64 0.00 0.00 -1.26 -5.13 105.19 106.95 2ctd n GLY 19 Ca 0.45 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 2ctd n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctd s SER 20 N -1.15 3.67 0.38 1.61 0.15 -1.26 -5.02 113.70 112.09 2ctd s SER 20 Ca 0.00 -1.51 0.16 0.00 0.70 0.00 0.00 55.95 55.30 2ctd s SER 20 Cb 0.00 0.07 1.03 0.00 -1.71 0.00 0.00 66.02 65.41 2ctd s SER 20 CO 0.00 -0.67 1.79 -0.07 1.20 0.00 0.00 173.24 175.50 2ctd h LEU 21 N 1.66 0.50 0.12 3.45 3.38 -2.00 -1.97 115.31 120.45 2ctd h LEU 21 Ca -0.43 0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2ctd h LEU 21 Cb 1.27 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 2ctd h LEU 21 CO 0.75 0.14 -0.49 -0.33 0.09 0.00 0.00 178.44 178.59 2ctd h GLU 22 N 0.47 -0.68 -0.94 1.13 5.08 -1.95 -1.30 114.58 116.38 2ctd h GLU 22 Ca 0.56 0.05 0.28 0.00 -1.00 0.00 0.00 59.36 59.25 2ctd h GLU 22 Cb 1.31 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 30.56 2ctd h GLU 22 CO -0.28 -0.45 0.37 1.49 -1.00 0.00 0.00 179.01 179.13 2ctd h GLU 23 N -0.71 0.22 0.88 2.33 4.57 -1.65 -0.68 114.58 119.55 2ctd h GLU 23 Ca -0.01 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2ctd h GLU 23 Cb 0.71 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2ctd h GLU 23 CO -0.27 0.15 -0.47 1.96 -1.18 0.00 0.00 179.01 179.20 2ctd h GLN 24 N 0.23 -1.20 -0.54 1.92 4.20 -1.24 -2.96 115.11 115.52 2ctd h GLN 24 Ca 0.65 0.08 0.11 0.00 0.06 0.00 0.00 58.65 59.55 2ctd h GLN 24 Cb 1.41 0.27 -0.11 0.00 0.30 0.00 0.00 27.48 29.36 2ctd h GLN 24 CO -0.66 -0.80 -0.19 -1.49 -0.67 0.00 0.00 178.83 175.01 2ctd h TRP 25 N -1.25 -0.46 -0.90 2.96 6.55 -0.38 -0.68 115.95 121.80 2ctd h TRP 25 Ca -0.12 0.05 0.20 0.00 0.95 0.00 0.00 58.89 59.97 2ctd h TRP 25 Cb 0.97 0.29 -0.17 0.00 -0.86 0.00 0.00 29.16 29.39 2ctd h TRP 25 CO -0.04 -0.29 -0.14 -0.92 -1.05 0.00 0.00 178.44 176.00 2ctd h TYR 26 N -0.06 -0.33 0.04 0.49 3.20 -1.14 0.92 116.97 120.07 2ctd h TYR 26 Ca 0.26 0.08 0.03 0.00 3.14 0.00 0.00 58.73 62.23 2ctd h TYR 26 Cb 0.46 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 2ctd h TYR 26 CO -0.50 -0.38 -0.29 -0.07 -1.64 0.00 0.00 178.16 175.28 2ctd h LEU 27 N 0.02 -0.86 -1.30 2.82 3.38 -0.96 0.71 115.31 119.11 2ctd h LEU 27 Ca 0.46 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.68 2ctd h LEU 27 Cb 0.78 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2ctd h LEU 27 CO -0.89 -0.37 0.79 -0.08 0.09 0.00 0.00 178.44 177.98 2ctd h GLU 28 N -0.46 0.00 0.06 1.13 4.57 -0.70 0.36 114.58 119.54 2ctd h GLU 28 Ca 0.05 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.92 2ctd h GLU 28 Cb 0.53 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 2ctd h GLU 28 CO -0.22 0.00 -1.69 -0.89 -1.18 0.00 0.00 179.01 175.03 2ctd n ILE 29 N -3.17 1.66 0.35 2.32 5.41 0.08 -1.93 119.36 124.09 2ctd n ILE 29 Ca 0.09 -0.36 0.13 0.00 1.00 0.00 0.00 62.75 63.61 2ctd n ILE 29 Cb 0.95 -1.88 0.54 0.00 -0.71 0.00 0.00 39.64 38.54 2ctd n ILE 29 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 2ctd h VAL 30 N -0.45 0.00 0.00 1.39 -1.51 0.11 0.97 116.25 116.76 2ctd h VAL 30 Ca -0.40 -0.23 -0.33 0.00 -1.23 0.00 0.00 66.70 64.51 2ctd h VAL 30 Cb 1.69 0.97 -0.06 0.00 -2.13 0.00 0.00 31.29 31.75 2ctd h VAL 30 CO -0.07 0.00 -2.26 -0.67 -1.23 0.00 0.00 177.57 173.34 2ctd n ASP 31 N -2.35 2.06 -0.05 4.19 -0.08 0.89 -4.82 116.55 116.38 2ctd n ASP 31 Ca 0.01 -0.10 -0.11 0.00 -1.51 0.00 0.00 54.79 53.08 2ctd n ASP 31 Cb 0.21 -0.18 -0.04 0.00 2.34 0.00 0.00 41.12 43.46 2ctd n ASP 31 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ctd n LYS 32 N -3.08 0.23 0.00 -0.67 4.76 -0.81 -5.05 118.16 113.53 2ctd n LYS 32 Ca -0.38 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 2ctd n LYS 32 Cb 0.94 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 2ctd n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctd n GLY 33 N 2.35 0.41 3.53 0.72 0.00 0.34 -4.97 105.19 107.57 2ctd n GLY 33 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 2ctd n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctd s SER 34 N -0.41 -0.50 0.12 1.61 1.04 -1.22 -4.33 113.70 110.01 2ctd s SER 34 Ca 0.00 0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.95 2ctd s SER 34 Cb 0.00 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 2ctd s SER 34 CO 0.00 -0.53 -0.06 0.54 0.98 0.00 0.00 173.24 174.17 2ctd s VAL 35 N -1.59 3.56 0.18 5.02 0.11 -1.07 -4.10 120.40 122.51 2ctd s VAL 35 Ca -0.05 -1.28 -0.09 0.00 -2.93 0.00 0.00 61.98 57.63 2ctd s VAL 35 Cb -0.00 -2.71 -0.07 0.00 -1.53 0.00 0.00 36.38 32.07 2ctd s VAL 35 CO 0.03 0.04 0.48 -0.55 -3.33 0.00 0.00 175.10 171.77 2ctd s SER 36 N -2.45 6.61 -0.07 3.54 0.15 -1.26 -3.34 113.70 116.88 2ctd s SER 36 Ca 0.24 0.83 -0.31 0.00 0.70 0.00 0.00 55.95 57.41 2ctd s SER 36 Cb -0.11 -2.19 -0.09 0.00 -1.71 0.00 0.00 66.02 61.92 2ctd s SER 36 CO 0.16 0.01 2.01 0.00 1.20 0.00 0.00 173.24 176.63 2ctd n PRO 38 N 7.58 0.49 -0.05 0.00 -0.04 -1.26 0.80 135.00 142.51 2ctd n PRO 38 Ca 0.24 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.61 2ctd n PRO 38 Cb 0.38 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 2ctd n PRO 38 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2ctd n THR 39 N -0.96 1.31 -0.08 0.52 -1.04 -1.26 -4.81 114.28 107.96 2ctd n THR 39 Ca 0.11 0.12 -0.10 0.00 -2.04 0.00 0.00 64.05 62.13 2ctd n THR 39 Cb 0.05 -2.01 -0.15 0.00 -1.82 0.00 0.00 70.33 66.40 2ctd n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctd n GLN 41 N -2.86 -7.03 0.00 0.00 6.02 0.24 -4.90 117.38 108.85 2ctd n GLN 41 Ca -0.30 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 2ctd n GLN 41 Cb 1.12 -5.70 0.00 0.00 1.02 0.00 0.00 30.24 26.69 2ctd n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ctd n ALA 42 N -4.50 2.74 -2.55 -1.58 0.00 -1.26 -4.86 120.51 108.50 2ctd n ALA 42 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 2ctd n ALA 42 Cb 0.60 0.35 -0.12 0.00 0.00 0.00 0.00 19.45 20.28 2ctd n ALA 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ctd s VAL 43 N -1.92 1.58 0.24 0.00 -7.23 -1.26 -4.93 120.40 106.88 2ctd s VAL 43 Ca 0.00 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 2ctd s VAL 43 Cb 0.00 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.45 2ctd s VAL 43 CO 0.00 -0.16 0.39 0.61 -0.31 0.00 0.00 175.10 175.63 2ctd n GLY 44 N 0.96 2.07 3.34 2.32 0.00 -1.26 -2.40 105.19 110.23 2ctd n GLY 44 Ca -0.19 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 2ctd n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ctd s ARG 45 N -2.37 1.30 0.00 1.61 3.00 -1.21 -4.96 118.95 116.32 2ctd s ARG 45 Ca 0.16 -1.40 0.15 0.00 -1.00 0.00 0.00 55.73 53.64 2ctd s ARG 45 Cb -0.02 -1.44 0.87 0.00 0.00 0.00 0.00 34.95 34.36 2ctd s ARG 45 CO 0.12 0.30 1.29 1.63 0.00 0.00 0.00 175.30 178.64 2ctd n LYS 46 N 0.40 0.49 -4.02 5.12 5.02 -1.26 -2.59 118.16 121.32 2ctd n LYS 46 Ca -0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.06 2ctd n LYS 46 Cb 0.56 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 2ctd n LYS 46 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2ctd s THR 47 N -2.00 0.12 -0.00 -0.18 -4.23 -1.26 -4.49 115.64 103.59 2ctd s THR 47 Ca 0.22 -1.57 -0.17 0.00 -1.18 0.00 0.00 61.69 58.99 2ctd s THR 47 Cb 0.10 -1.74 -0.09 0.00 1.34 0.00 0.00 72.50 72.11 2ctd s THR 47 CO 0.17 -0.54 0.84 0.40 -0.54 0.00 0.00 174.62 174.95 2ctd h ILE 48 N 2.79 0.00 -0.95 2.99 1.08 -1.97 -3.00 117.51 118.44 2ctd h ILE 48 Ca -0.34 -0.30 0.10 0.00 -0.39 0.00 0.00 64.86 63.93 2ctd h ILE 48 Cb 1.20 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.82 2ctd h ILE 48 CO 0.56 0.00 -0.54 -0.08 -0.69 0.00 0.00 178.15 177.40 2ctd h GLU 49 N -0.91 -0.03 -0.76 2.37 4.22 -1.98 0.29 114.58 117.78 2ctd h GLU 49 Ca -0.06 0.00 0.18 0.00 0.08 0.00 0.00 59.36 59.56 2ctd h GLU 49 Cb 0.46 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.59 2ctd h GLU 49 CO 0.10 -0.02 0.07 0.78 -2.18 0.00 0.00 179.01 177.76 2ctd h GLY 50 N -0.03 0.95 1.75 1.92 0.00 -1.97 0.40 103.07 106.08 2ctd h GLY 50 Ca 0.19 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 2ctd h GLY 50 CO -0.92 -0.28 -0.02 -2.00 0.00 0.00 0.00 176.54 173.31 2ctd h LEU 51 N 0.15 0.30 -1.10 3.11 5.85 -0.35 -2.40 115.31 120.87 2ctd h LEU 51 Ca 0.43 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.15 2ctd h LEU 51 Cb 0.77 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 2ctd h LEU 51 CO -0.63 0.37 0.61 0.11 -0.34 0.00 0.00 178.44 178.57 2ctd h LYS 52 N 0.31 1.10 -0.15 1.25 1.79 0.14 0.22 116.57 121.23 2ctd h LYS 52 Ca 0.07 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 2ctd h LYS 52 Cb 0.25 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2ctd h LYS 52 CO 0.01 0.72 -0.38 -0.22 -1.08 0.00 0.00 179.45 178.51 2ctd h LYS 53 N 1.13 0.31 0.03 3.15 3.64 -1.16 0.26 116.57 123.93 2ctd h LYS 53 Ca 0.39 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2ctd h LYS 53 Cb 0.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2ctd h LYS 53 CO -0.13 0.65 -0.02 1.25 -2.27 0.00 0.00 179.45 178.93 2ctd h HIS 54 N 0.26 -0.04 -0.49 1.91 2.76 -1.16 -3.33 115.15 115.07 2ctd h HIS 54 Ca 0.03 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 2ctd h HIS 54 Cb 0.79 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 2ctd h HIS 54 CO 0.02 0.65 -0.10 0.00 -1.30 0.00 0.00 177.93 177.19 2ctd h MET 55 N -0.84 0.89 -1.61 5.26 -0.00 -0.64 -1.47 114.93 116.51 2ctd h MET 55 Ca -0.00 -0.31 0.51 0.00 -0.00 0.00 0.00 59.70 59.90 2ctd h MET 55 Cb 0.71 -0.07 -0.11 0.00 -0.00 0.00 0.00 31.60 32.13 2ctd h MET 55 CO 0.01 0.95 1.10 0.93 -0.00 0.00 0.00 176.91 179.89 2ctd h GLU 56 N 0.80 0.02 0.00 -0.10 4.39 -0.59 0.76 114.58 119.86 2ctd h GLU 56 Ca 0.13 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.55 2ctd h GLU 56 Cb 0.62 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 2ctd h GLU 56 CO 0.04 0.01 -2.05 0.09 -1.16 0.00 0.00 179.01 175.94 2ctd n ASN 57 N -4.39 1.50 0.20 1.42 3.02 -1.11 -4.66 115.26 111.25 2ctd n ASN 57 Ca 0.41 -0.02 -0.11 0.00 -0.03 0.00 0.00 54.58 54.83 2ctd n ASN 57 Cb 1.72 0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 41.47 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ctd n LYS 59 N -5.17 0.11 -2.97 0.00 2.85 0.23 -4.93 118.16 108.29 2ctd n LYS 59 Ca -0.09 0.04 -0.23 0.00 -1.05 0.00 0.00 58.31 56.98 2ctd n LYS 59 Cb 0.27 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 33.11 2ctd n LYS 59 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2ctd s GLN 60 N 0.83 3.07 0.03 -1.58 -0.21 -1.26 -4.95 119.66 115.60 2ctd s GLN 60 Ca 0.94 -0.47 -0.32 0.00 0.02 0.00 0.00 55.36 55.53 2ctd s GLN 60 Cb -1.30 -2.55 -0.17 0.00 1.00 0.00 0.00 33.01 30.00 2ctd s GLN 60 CO 0.62 -0.28 0.83 -1.91 -2.12 0.00 0.00 175.29 172.44 2ctd n GLU 61 N -2.09 0.00 -4.01 2.91 2.13 -1.26 -4.95 120.64 113.37 2ctd n GLU 61 Ca 0.01 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.60 2ctd n GLU 61 Cb 0.58 -1.21 -0.06 0.00 0.27 0.00 0.00 31.44 31.02 2ctd n GLU 61 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2ctd s MET 62 N -0.14 2.31 0.08 5.31 -1.94 -1.26 -4.96 119.30 118.70 2ctd s MET 62 Ca 0.74 -1.74 -0.05 0.00 -1.71 0.00 0.00 55.69 52.93 2ctd s MET 62 Cb -1.03 -2.09 -0.02 0.00 2.01 0.00 0.00 34.83 33.69 2ctd s MET 62 CO 0.48 -0.10 0.10 -0.06 -0.01 0.00 0.00 175.02 175.43 2ctd s PHE 63 N -2.55 0.38 -0.22 -0.03 0.08 -1.26 -5.14 117.98 109.24 2ctd s PHE 63 Ca 0.42 -0.85 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 2ctd s PHE 63 Cb 0.01 -0.23 0.12 0.00 -0.57 0.00 0.00 43.02 42.35 2ctd s PHE 63 CO 0.24 -0.49 0.38 0.99 -0.10 0.00 0.00 175.22 176.24 2ctd s THR 64 N -3.91 -0.61 0.89 0.64 2.01 -1.26 -4.07 115.64 109.34 2ctd s THR 64 Ca 0.08 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 2ctd s THR 64 Cb 0.06 -0.74 0.05 0.00 0.01 0.00 0.00 72.50 71.87 2ctd s THR 64 CO -0.09 -0.04 0.63 0.00 -0.69 0.00 0.00 174.62 174.43 2ctd n HIS 66 N -3.45 0.00 0.37 0.00 8.25 -1.26 -3.32 115.22 115.81 2ctd n HIS 66 Ca 0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.38 2ctd n HIS 66 Cb 0.52 -0.66 -0.09 0.00 1.12 0.00 0.00 29.99 30.88 2ctd n HIS 66 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2ctd h HIS 67 N 0.00 -0.86 0.00 4.41 3.86 -2.01 -3.38 115.15 117.17 2ctd h HIS 67 Ca -0.37 -0.02 -0.37 0.00 -1.16 0.00 0.00 60.37 58.45 2ctd h HIS 67 Cb 1.77 0.28 -0.06 0.00 1.06 0.00 0.00 27.41 30.46 2ctd h HIS 67 CO 0.01 -0.51 -2.35 0.00 0.86 0.00 0.00 177.93 175.94 2ctd n GLY 69 N 2.14 1.85 3.79 0.00 0.00 -1.21 -5.05 105.19 106.71 2ctd n GLY 69 Ca -0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 2ctd n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ctd s LYS 70 N -0.70 2.90 -0.24 1.61 2.20 -1.26 -4.71 119.74 119.54 2ctd s LYS 70 Ca 0.00 1.22 -0.03 0.00 -0.36 0.00 0.00 55.97 56.80 2ctd s LYS 70 Cb 0.00 -1.98 0.08 0.00 -1.51 0.00 0.00 37.83 34.42 2ctd s LYS 70 CO 0.00 -1.15 0.09 -0.65 -0.36 0.00 0.00 175.35 173.28 2ctd s GLN 71 N -4.37 0.42 0.11 4.03 -0.21 -1.26 -1.95 119.66 116.42 2ctd s GLN 71 Ca 0.63 -0.53 0.10 0.00 0.02 0.00 0.00 55.36 55.59 2ctd s GLN 71 Cb -0.17 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 2ctd s GLN 71 CO 0.45 -0.83 -0.25 -0.51 -2.12 0.00 0.00 175.29 172.02 2ctd s LEU 72 N 1.93 2.36 0.44 2.90 1.43 -1.26 -5.02 118.68 121.46 2ctd s LEU 72 Ca 0.05 -0.68 0.25 0.00 -1.03 0.00 0.00 54.13 52.72 2ctd s LEU 72 Cb -0.17 -1.29 0.52 0.00 0.03 0.00 0.00 46.19 45.28 2ctd s LEU 72 CO -0.20 0.20 1.67 0.08 0.23 0.00 0.00 176.35 178.33 2ctd h ARG 73 N 4.06 0.00 -5.08 1.70 0.11 -1.96 -3.38 114.38 109.83 2ctd h ARG 73 Ca -0.50 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 58.93 2ctd h ARG 73 Cb 1.16 0.00 -0.26 0.00 1.11 0.00 0.00 29.97 31.98 2ctd h ARG 73 CO 0.41 0.00 -0.71 -1.12 0.10 0.00 0.00 179.97 178.65 2ctd s SER 74 N -6.02 4.40 0.18 0.08 0.01 -1.26 -4.94 113.70 106.14 2ctd s SER 74 Ca 0.06 -0.33 -0.13 0.00 1.31 0.00 0.00 55.95 56.86 2ctd s SER 74 Cb 0.06 -1.74 0.11 0.00 0.21 0.00 0.00 66.02 64.66 2ctd s SER 74 CO 0.65 0.03 1.82 0.25 0.41 0.00 0.00 173.24 176.40 2ctd h LEU 75 N 7.74 0.55 0.00 2.44 5.85 -1.93 -2.85 115.31 127.10 2ctd h LEU 75 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2ctd h LEU 75 Cb 1.17 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2ctd h LEU 75 CO 0.60 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.09 2ctd n ALA 76 N -2.28 -0.20 -0.34 1.25 0.00 -1.26 -0.64 120.51 117.04 2ctd n ALA 76 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.59 2ctd n ALA 76 Cb 0.07 0.22 0.22 0.00 0.00 0.00 0.00 19.45 19.95 2ctd n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctd n GLY 77 N -0.94 -1.47 0.41 0.00 0.00 -1.22 -0.59 105.19 101.38 2ctd n GLY 77 Ca 0.00 1.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.84 2ctd n GLY 77 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ctd h MET 78 N 0.00 -0.86 -1.04 1.61 -1.53 -1.21 -1.52 114.93 110.38 2ctd h MET 78 Ca 0.53 0.06 0.30 0.00 -3.44 0.00 0.00 59.70 57.15 2ctd h MET 78 Cb 0.98 0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 32.19 2ctd h MET 78 CO -0.96 -0.57 0.99 0.87 0.14 0.00 0.00 176.91 177.38 2ctd h LYS 79 N -0.89 0.00 0.21 0.39 1.57 0.15 1.02 116.57 119.02 2ctd h LYS 79 Ca -0.06 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.40 2ctd h LYS 79 Cb 0.74 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.07 2ctd h LYS 79 CO 0.04 0.00 -1.45 -0.92 -0.57 0.00 0.00 179.45 176.55 2ctd h TYR 80 N 0.00 0.80 -0.85 -1.35 5.03 -0.80 -3.30 116.97 116.51 2ctd h TYR 80 Ca 0.49 -0.59 0.17 0.00 2.58 0.00 0.00 58.73 61.39 2ctd h TYR 80 Cb 2.47 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 40.66 2ctd h TYR 80 CO 0.00 1.49 0.56 1.12 -1.32 0.00 0.00 178.16 180.01 2ctd h HIS 81 N 0.12 0.58 -0.48 -3.82 2.07 0.17 -0.49 115.15 113.31 2ctd h HIS 81 Ca -0.23 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.27 2ctd h HIS 81 Cb 2.11 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 31.89 2ctd h HIS 81 CO 0.11 0.19 0.16 0.28 -3.07 0.00 0.00 177.93 175.59 2ctd h VAL 82 N 0.47 1.22 -0.16 6.12 2.07 -1.59 -2.04 116.25 122.33 2ctd h VAL 82 Ca 0.44 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2ctd h VAL 82 Cb 0.98 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2ctd h VAL 82 CO -0.17 0.26 0.07 0.23 0.02 0.00 0.00 177.57 177.99 2ctd n MET 83 N -4.54 1.53 0.00 1.57 2.00 -0.21 -0.20 117.12 117.28 2ctd n MET 83 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 57.70 57.07 2ctd n MET 83 Cb 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 31.95 2ctd n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ctd n ALA 84 N 0.14 2.48 -0.13 3.04 0.00 -0.86 -4.70 120.51 120.49 2ctd n ALA 84 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 2ctd n ALA 84 Cb 0.60 0.34 -0.11 0.00 0.00 0.00 0.00 19.45 20.28 2ctd n ALA 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ctd n ASN 85 N -2.50 1.96 -0.02 0.00 3.02 -0.83 -4.78 115.26 112.12 2ctd n ASN 85 Ca 0.00 0.28 -0.00 0.00 -0.03 0.00 0.00 54.58 54.83 2ctd n ASN 85 Cb 0.34 -0.78 -0.00 0.00 -0.61 0.00 0.00 39.78 38.73 2ctd n ASN 85 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 2ctd h HIS 86 N -0.84 -0.00 -5.49 3.10 3.86 -1.63 -3.48 115.15 110.66 2ctd h HIS 86 Ca -0.65 -0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.20 2ctd h HIS 86 Cb 1.64 0.00 0.14 0.00 1.06 0.00 0.00 27.41 30.24 2ctd h HIS 86 CO -0.05 -0.00 -0.65 0.09 0.86 0.00 0.00 177.93 178.18 2ctd n ASN 87 N -3.23 -5.32 -0.32 2.45 4.13 0.73 -4.87 115.26 108.83 2ctd n ASN 87 Ca -0.00 -0.52 0.18 0.00 1.68 0.00 0.00 54.58 55.92 2ctd n ASN 87 Cb 0.00 -4.74 0.38 0.00 -1.54 0.00 0.00 39.78 33.88 2ctd n ASN 87 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2ctd h SER 88 N -2.39 0.34 -3.38 6.41 4.64 -1.94 -3.36 113.55 113.88 2ctd h SER 88 Ca -0.53 0.18 -0.63 0.00 -0.47 0.00 0.00 61.79 60.33 2ctd h SER 88 Cb 1.34 0.17 -0.20 0.00 -0.31 0.00 0.00 62.40 63.40 2ctd h SER 88 CO 0.51 -0.09 -0.62 -0.76 -0.87 0.00 0.00 176.83 175.00 2ctd s LEU 89 N -10.50 3.48 -0.02 5.97 1.43 -1.26 -5.02 118.68 112.76 2ctd s LEU 89 Ca -0.11 -0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 52.66 2ctd s LEU 89 Cb 0.28 -1.88 -0.19 0.00 0.03 0.00 0.00 46.19 44.43 2ctd s LEU 89 CO 0.78 0.12 1.22 1.55 0.23 0.00 0.00 176.35 180.26 2ctd h PRO 90 N 7.07 -0.07 -3.92 1.29 0.13 -2.00 -3.48 132.00 131.03 2ctd h PRO 90 Ca -0.35 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.68 2ctd h PRO 90 Cb 1.18 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 2ctd h PRO 90 CO 0.64 0.40 -0.28 -1.12 -0.23 0.00 0.00 178.00 177.41 2ctd s SER 91 N -5.60 -0.01 0.00 1.44 0.01 -1.26 -5.15 113.70 103.13 2ctd s SER 91 Ca -0.15 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.09 2ctd s SER 91 Cb 0.02 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2ctd s SER 91 CO 0.64 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2ctd n GLY 92 N -0.32 3.51 3.60 3.44 0.00 -1.26 -5.12 105.19 109.05 2ctd n GLY 92 Ca -0.02 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 2ctd n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctd s PRO 93 N -5.39 -1.02 -0.03 1.61 0.04 -1.26 -5.00 135.00 123.96 2ctd s PRO 93 Ca 0.00 0.01 -0.16 0.00 0.04 0.00 0.00 61.00 60.89 2ctd s PRO 93 Cb 0.00 -1.61 -0.32 0.00 0.04 0.00 0.00 34.50 32.60 2ctd s PRO 93 CO 0.00 -3.59 0.82 1.03 0.04 0.00 0.00 177.00 175.30 2ctd h SER 94 N -2.49 0.65 -5.10 6.66 0.87 -2.07 -3.48 113.55 108.57 2ctd h SER 94 Ca -0.46 -0.92 -0.01 0.00 -1.23 0.00 0.00 61.79 59.17 2ctd h SER 94 Cb 1.30 -0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.96 2ctd h SER 94 CO 0.37 1.66 0.05 -0.94 -0.53 0.00 0.00 176.83 177.45 2ctd s SER 95 N -7.31 -0.22 0.00 6.23 1.04 -1.26 -5.34 113.70 106.83 2ctd s SER 95 Ca -0.13 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2ctd s SER 95 Cb 0.04 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2ctd s SER 95 CO 0.87 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 174.55