#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctd n SER 2 N 0.00 -4.80 -4.78 1.61 7.64 -1.26 -4.97 113.62 107.07 2ctd n SER 2 Ca 0.00 -0.49 -0.35 0.00 1.01 0.00 0.00 58.87 59.03 2ctd n SER 2 Cb 0.00 -4.51 -0.00 0.00 -1.01 0.00 0.00 64.21 58.69 2ctd n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ctd s SER 3 N -3.54 5.87 0.00 6.43 0.01 -1.26 -5.03 113.70 116.18 2ctd s SER 3 Ca 0.37 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.80 2ctd s SER 3 Cb -0.16 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2ctd s SER 3 CO 0.64 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2ctd n GLY 4 N 0.16 1.14 3.97 3.44 0.00 -1.26 -5.17 105.19 107.47 2ctd n GLY 4 Ca 0.11 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 2ctd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctd s SER 5 N 0.00 6.29 -0.01 1.61 0.01 -1.26 -5.04 113.70 115.30 2ctd s SER 5 Ca 0.00 0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.31 2ctd s SER 5 Cb 0.00 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 2ctd s SER 5 CO 0.00 -0.10 -0.01 -0.24 0.41 0.00 0.00 173.24 173.30 2ctd n SER 6 N -1.43 1.48 0.00 2.44 2.88 -1.26 -5.15 113.62 112.58 2ctd n SER 6 Ca -0.08 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2ctd n SER 6 Cb 0.57 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2ctd n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctd n GLY 7 N 3.11 0.02 3.39 0.46 0.00 -1.26 -5.04 105.19 105.86 2ctd n GLY 7 Ca -0.02 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 1.33 -0.15 1.61 0.52 -1.26 -5.16 118.95 115.85 2ctd s ARG 8 Ca 0.00 -1.38 -0.00 0.00 -0.52 0.00 0.00 55.73 53.83 2ctd s ARG 8 Cb 0.00 0.37 0.03 0.00 0.52 0.00 0.00 34.95 35.88 2ctd s ARG 8 CO 0.00 -0.50 -0.09 0.42 0.02 0.00 0.00 175.30 175.15 2ctd s ILE 9 N -4.06 1.25 -0.15 1.52 1.01 -1.26 -5.12 121.20 114.38 2ctd s ILE 9 Ca 0.28 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 2ctd s ILE 9 Cb 0.03 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 2ctd s ILE 9 CO 0.08 0.29 -0.04 0.00 0.00 0.00 0.00 174.94 175.27 2ctd s ARG 10 N 1.60 3.66 -0.15 2.79 1.70 -1.26 -5.10 118.95 122.20 2ctd s ARG 10 Ca 0.03 -0.52 -0.17 0.00 -0.47 0.00 0.00 55.73 54.59 2ctd s ARG 10 Cb -0.14 -2.90 -0.04 0.00 -0.57 0.00 0.00 34.95 31.29 2ctd s ARG 10 CO -0.09 0.24 0.44 0.15 -1.08 0.00 0.00 175.30 174.96 2ctd s LYS 11 N 0.36 4.29 -0.01 3.89 1.02 -1.26 -5.07 119.74 122.95 2ctd s LYS 11 Ca -0.04 0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.30 2ctd s LYS 11 Cb -0.14 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 2ctd s LYS 11 CO 0.03 0.11 -0.05 -1.83 -0.92 0.00 0.00 175.35 172.70 2ctd s GLU 12 N 0.79 0.43 0.68 1.68 -1.05 -1.26 -5.15 118.70 114.82 2ctd s GLU 12 Ca 0.23 -0.15 -0.14 0.00 -0.15 0.00 0.00 54.97 54.76 2ctd s GLU 12 Cb -0.15 -0.43 0.01 0.00 -0.44 0.00 0.00 34.13 33.13 2ctd s GLU 12 CO 0.09 0.08 1.11 -1.25 0.95 0.00 0.00 175.26 176.23 2ctd s PRO 13 N 0.04 2.69 0.89 -4.83 0.04 -1.26 -5.03 135.00 127.55 2ctd s PRO 13 Ca -0.00 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2ctd s PRO 13 Cb -0.04 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.69 2ctd s PRO 13 CO -0.00 -1.33 1.09 -1.25 0.04 0.00 0.00 177.00 175.55 2ctd s PRO 14 N -4.26 1.30 0.26 0.56 0.04 -1.26 -4.85 135.00 126.79 2ctd s PRO 14 Ca 0.66 0.83 0.14 0.00 0.04 0.00 0.00 61.00 62.67 2ctd s PRO 14 Cb -0.20 -1.81 0.93 0.00 0.04 0.00 0.00 34.50 33.46 2ctd s PRO 14 CO 0.44 -2.22 1.11 1.55 0.04 0.00 0.00 177.00 177.93 2ctd n VAL 15 N -3.87 -0.30 -1.76 -0.36 3.14 -1.26 -4.36 118.33 109.57 2ctd n VAL 15 Ca 0.07 1.44 -0.39 0.00 -2.96 0.00 0.00 64.34 62.49 2ctd n VAL 15 Cb 0.55 -2.32 0.03 0.00 -1.06 0.00 0.00 33.84 31.03 2ctd n VAL 15 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2ctd n TYR 16 N -4.61 2.56 -1.24 1.45 4.01 -1.26 -4.99 117.16 113.08 2ctd n TYR 16 Ca 0.26 0.44 -0.29 0.00 -0.16 0.00 0.00 57.90 58.15 2ctd n TYR 16 Cb 0.89 -2.43 0.19 0.00 -0.31 0.00 0.00 39.34 37.69 2ctd n TYR 16 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ctd s ALA 17 N -1.22 1.01 -1.25 -0.72 0.00 -1.26 -4.93 121.76 113.39 2ctd s ALA 17 Ca 0.65 -0.62 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 2ctd s ALA 17 Cb -0.44 -3.01 0.15 0.00 0.00 0.00 0.00 23.12 19.81 2ctd s ALA 17 CO 0.55 -2.98 1.58 0.00 0.00 0.00 0.00 175.76 174.91 2ctd n ALA 18 N -4.28 4.07 0.00 0.00 0.00 -1.26 -4.11 120.51 114.93 2ctd n ALA 18 Ca 0.08 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.35 2ctd n ALA 18 Cb 0.58 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.87 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 4.17 0.70 3.38 0.00 0.00 -1.26 -5.15 105.19 107.02 2ctd n GLY 19 Ca 0.40 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 2ctd n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctd s SER 20 N -0.78 1.80 0.09 1.61 0.01 -1.26 -5.07 113.70 110.10 2ctd s SER 20 Ca 0.00 -1.51 -0.35 0.00 1.31 0.00 0.00 55.95 55.40 2ctd s SER 20 Cb 0.00 0.29 -0.16 0.00 0.21 0.00 0.00 66.02 66.35 2ctd s SER 20 CO 0.00 -0.82 1.57 -0.07 0.41 0.00 0.00 173.24 174.34 2ctd h LEU 21 N 2.16 -1.30 -0.72 2.44 3.38 -2.00 -2.43 115.31 116.83 2ctd h LEU 21 Ca -0.36 0.10 0.20 0.00 0.09 0.00 0.00 57.88 57.91 2ctd h LEU 21 Cb 1.25 0.43 -0.13 0.00 0.09 0.00 0.00 40.66 42.30 2ctd h LEU 21 CO 0.57 -0.64 0.01 -0.62 0.09 0.00 0.00 178.44 177.86 2ctd n GLU 22 N -5.55 -0.06 0.16 1.13 1.02 -1.26 0.13 120.64 116.21 2ctd n GLU 22 Ca -0.12 1.08 -0.14 0.00 -0.02 0.00 0.00 57.16 57.96 2ctd n GLU 22 Cb 0.45 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 2ctd n GLU 22 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2ctd h GLU 23 N 0.00 -0.32 -0.24 3.49 4.81 -1.74 -1.72 114.58 118.85 2ctd h GLU 23 Ca 0.44 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.75 2ctd h GLU 23 Cb 0.90 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.28 2ctd h GLU 23 CO -0.68 -0.21 -0.26 1.96 -0.73 0.00 0.00 179.01 179.09 2ctd h GLN 24 N -0.34 -0.26 0.11 1.92 4.20 0.12 -2.48 115.11 118.39 2ctd h GLN 24 Ca -0.03 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.71 2ctd h GLN 24 Cb 0.26 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 2ctd h GLN 24 CO 0.06 -0.17 -0.37 -1.49 -0.67 0.00 0.00 178.83 176.19 2ctd h TRP 25 N -0.27 -1.01 -0.94 2.96 6.55 -1.18 -2.65 115.95 119.40 2ctd h TRP 25 Ca 0.13 0.03 0.12 0.00 0.95 0.00 0.00 58.89 60.12 2ctd h TRP 25 Cb 0.48 0.43 -0.14 0.00 -0.86 0.00 0.00 29.16 29.07 2ctd h TRP 25 CO -0.41 -0.47 -0.45 0.98 -1.05 0.00 0.00 178.44 177.05 2ctd n TYR 26 N -5.44 -0.16 -0.05 0.49 9.36 -0.66 -0.71 117.16 120.00 2ctd n TYR 26 Ca -0.07 1.16 -0.14 0.00 3.32 0.00 0.00 57.90 62.17 2ctd n TYR 26 Cb 0.35 -0.74 -0.09 0.00 -0.63 0.00 0.00 39.34 38.23 2ctd n TYR 26 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2ctd h LEU 27 N 0.00 -1.73 -1.01 2.98 3.38 -1.15 0.37 115.31 118.16 2ctd h LEU 27 Ca 0.25 0.21 0.26 0.00 0.09 0.00 0.00 57.88 58.70 2ctd h LEU 27 Cb 0.49 0.69 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2ctd h LEU 27 CO -0.91 -0.46 1.15 -0.08 0.09 0.00 0.00 178.44 178.24 2ctd h GLU 28 N -0.52 0.00 0.00 1.13 4.81 -0.73 0.58 114.58 119.85 2ctd h GLU 28 Ca 0.05 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.04 2ctd h GLU 28 Cb 0.65 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 2ctd h GLU 28 CO -0.49 0.00 -1.31 -0.89 -0.73 0.00 0.00 179.01 175.59 2ctd n ILE 29 N -3.20 1.54 0.28 2.32 5.41 0.12 -2.11 119.36 123.72 2ctd n ILE 29 Ca 0.20 -0.04 0.13 0.00 1.00 0.00 0.00 62.75 64.03 2ctd n ILE 29 Cb 1.43 -2.03 0.61 0.00 -0.71 0.00 0.00 39.64 38.93 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 -0.98 0.00 0.00 1.39 -1.51 0.14 1.48 116.25 116.77 2ctd h VAL 30 Ca -0.36 -0.13 -0.35 0.00 -1.23 0.00 0.00 66.70 64.63 2ctd h VAL 30 Cb 1.32 0.79 -0.06 0.00 -2.13 0.00 0.00 31.29 31.22 2ctd h VAL 30 CO -0.21 0.00 -2.31 -0.67 -1.23 0.00 0.00 177.57 173.14 2ctd n ASP 31 N -2.38 0.96 -0.02 4.19 2.03 0.12 -4.82 116.55 116.64 2ctd n ASP 31 Ca 0.00 -0.04 -0.06 0.00 0.52 0.00 0.00 54.79 55.21 2ctd n ASP 31 Cb 0.14 0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 41.04 2ctd n ASP 31 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ctd n LYS 32 N -2.86 0.17 0.00 -0.67 4.76 -0.90 -5.06 118.16 113.60 2ctd n LYS 32 Ca -0.34 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 2ctd n LYS 32 Cb 1.06 -0.79 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 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 2.70 0.85 3.51 0.72 0.00 0.50 -4.98 105.19 108.49 2ctd n GLY 33 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.83 0.04 1.61 1.04 -1.26 -4.67 113.70 111.29 2ctd s SER 34 Ca 0.00 -1.45 0.01 0.00 0.48 0.00 0.00 55.95 54.99 2ctd s SER 34 Cb 0.00 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 2ctd s SER 34 CO 0.00 -1.32 -0.05 0.54 0.98 0.00 0.00 173.24 173.40 2ctd s VAL 35 N -3.04 0.34 0.36 5.02 0.11 -0.81 -3.31 120.40 119.06 2ctd s VAL 35 Ca 0.29 -1.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.10 2ctd s VAL 35 Cb -0.01 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2ctd s VAL 35 CO 0.19 -0.60 0.55 -0.55 -3.33 0.00 0.00 175.10 171.36 2ctd s SER 36 N -1.97 6.11 -0.36 3.54 0.15 -1.26 -0.98 113.70 118.93 2ctd s SER 36 Ca -0.06 0.26 -0.29 0.00 0.70 0.00 0.00 55.95 56.55 2ctd s SER 36 Cb -0.05 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2ctd s SER 36 CO -0.03 -0.41 1.17 0.00 1.20 0.00 0.00 173.24 175.17 2ctd n PRO 38 N 7.33 0.48 -0.12 0.00 -0.04 -1.26 0.17 135.00 141.55 2ctd n PRO 38 Ca 0.13 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.34 2ctd n PRO 38 Cb 0.48 -1.50 -0.10 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 -1.01 1.53 -0.01 0.52 -1.04 -1.26 -4.78 114.28 108.23 2ctd n THR 39 Ca 0.12 -0.21 -0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2ctd n THR 39 Cb 0.06 -1.98 -0.02 0.00 -1.82 0.00 0.00 70.33 66.57 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 -1.88 -7.32 -0.04 0.00 6.02 0.45 -4.91 117.38 109.70 2ctd n GLN 41 Ca -0.02 0.83 -0.04 0.00 -0.01 0.00 0.00 57.00 57.76 2ctd n GLN 41 Cb 0.37 -5.87 -0.04 0.00 1.02 0.00 0.00 30.24 25.72 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 -4.61 1.83 -2.91 -1.58 0.00 -1.26 -4.86 120.51 107.12 2ctd n ALA 42 Ca -0.13 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 2ctd n ALA 42 Cb 0.61 0.21 -0.12 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.16 0.30 0.35 0.00 -7.23 -1.26 -5.01 120.40 105.40 2ctd s VAL 43 Ca -0.07 -0.87 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 2ctd s VAL 43 Cb 0.02 -0.39 0.01 0.00 0.56 0.00 0.00 36.38 36.58 2ctd s VAL 43 CO 0.23 -0.38 0.08 0.61 -0.31 0.00 0.00 175.10 175.33 2ctd n GLY 44 N 1.73 3.50 3.06 2.32 0.00 -1.25 -2.05 105.19 112.50 2ctd n GLY 44 Ca -0.22 -2.30 -0.09 0.00 0.00 0.00 0.00 46.02 43.41 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 -3.31 0.46 0.14 1.61 6.06 -0.15 -4.94 118.95 118.82 2ctd s ARG 45 Ca 0.06 -0.66 0.11 0.00 -2.50 0.00 0.00 55.73 52.74 2ctd s ARG 45 Cb -0.00 0.18 0.57 0.00 0.06 0.00 0.00 34.95 35.75 2ctd s ARG 45 CO 0.04 -0.10 1.34 1.63 -2.50 0.00 0.00 175.30 175.71 2ctd n LYS 46 N 1.18 0.07 -2.99 5.12 5.02 -1.26 -1.93 118.16 123.36 2ctd n LYS 46 Ca -0.21 0.53 -0.06 0.00 -2.02 0.00 0.00 58.31 56.55 2ctd n LYS 46 Cb 0.57 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 2ctd n LYS 46 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ctd n THR 47 N -1.85 0.00 -0.02 -0.18 -2.24 -1.26 -4.65 114.28 104.08 2ctd n THR 47 Ca -0.00 -0.72 -0.19 0.00 -2.27 0.00 0.00 64.05 60.87 2ctd n THR 47 Cb 0.04 0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 68.85 2ctd n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2ctd h ILE 48 N 1.71 1.39 -1.00 2.28 2.04 -1.97 -3.18 117.51 118.78 2ctd h ILE 48 Ca -0.24 -2.39 0.41 0.00 1.00 0.00 0.00 64.86 63.65 2ctd h ILE 48 Cb 0.89 2.99 -0.18 0.00 -0.74 0.00 0.00 36.82 39.78 2ctd h ILE 48 CO 0.30 0.61 0.52 1.05 0.00 0.00 0.00 178.15 180.64 2ctd h GLU 49 N -0.66 0.01 0.07 2.37 4.11 -1.99 1.14 114.58 119.63 2ctd h GLU 49 Ca -0.17 -0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.01 2ctd h GLU 49 Cb 1.41 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2ctd h GLU 49 CO 0.02 0.00 -1.21 0.78 0.07 0.00 0.00 179.01 178.68 2ctd h GLY 50 N 0.01 0.17 0.68 1.06 0.00 -1.98 -3.32 103.07 99.68 2ctd h GLY 50 Ca 0.84 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 2ctd h GLY 50 CO -0.77 0.38 -0.05 -2.00 0.00 0.00 0.00 176.54 174.10 2ctd h LEU 51 N 0.04 0.20 -0.76 3.11 5.85 0.12 -2.99 115.31 120.87 2ctd h LEU 51 Ca -0.11 -0.42 0.18 0.00 0.84 0.00 0.00 57.88 58.37 2ctd h LEU 51 Cb 1.90 -0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.75 2ctd h LEU 51 CO 0.16 0.57 0.06 0.11 -0.34 0.00 0.00 178.44 179.00 2ctd h LYS 52 N -0.18 0.13 -0.45 1.25 1.57 -0.61 0.54 116.57 118.83 2ctd h LYS 52 Ca 0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2ctd h LYS 52 Cb 0.50 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2ctd h LYS 52 CO 0.01 0.09 0.16 0.87 -0.57 0.00 0.00 179.45 180.01 2ctd h LYS 53 N 0.14 0.64 0.17 3.15 6.56 -1.65 0.20 116.57 125.78 2ctd h LYS 53 Ca 0.43 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.92 2ctd h LYS 53 Cb 0.77 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 2ctd h LYS 53 CO -0.64 0.54 -0.08 1.25 -2.06 0.00 0.00 179.45 178.46 2ctd h HIS 54 N 0.63 -0.22 0.00 -1.35 2.76 0.04 -3.21 115.15 113.82 2ctd h HIS 54 Ca 0.15 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2ctd h HIS 54 Cb 0.15 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 2ctd h HIS 54 CO 0.01 0.21 -0.11 0.00 -1.30 0.00 0.00 177.93 176.74 2ctd h MET 55 N -0.82 0.00 -0.09 5.26 -0.00 -0.44 -1.21 114.93 117.62 2ctd h MET 55 Ca -0.02 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.70 2ctd h MET 55 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.12 2ctd h MET 55 CO 0.04 0.11 0.07 0.93 -0.00 0.00 0.00 176.91 178.06 2ctd h GLU 56 N 0.00 0.00 -0.01 -0.10 4.39 -0.59 -1.72 114.58 116.55 2ctd h GLU 56 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ctd h GLU 56 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2ctd h GLU 56 CO 0.01 0.00 -0.07 0.09 -1.16 0.00 0.00 179.01 177.88 2ctd n ASN 57 N -4.39 1.48 -0.77 1.42 3.02 -0.77 -4.47 115.26 110.79 2ctd n ASN 57 Ca -0.01 -1.24 0.05 0.00 -0.03 0.00 0.00 54.58 53.35 2ctd n ASN 57 Cb 0.18 0.20 0.16 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.46 -2.73 -1.93 0.00 4.81 -1.21 -4.73 118.16 112.83 2ctd n LYS 59 Ca 0.12 0.44 -0.42 0.00 -0.87 0.00 0.00 58.31 57.59 2ctd n LYS 59 Cb 0.40 -4.09 -0.03 0.00 0.02 0.00 0.00 35.03 31.32 2ctd n LYS 59 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2ctd s GLN 60 N -4.40 3.11 -0.17 1.64 -2.07 -1.07 -4.92 119.66 111.78 2ctd s GLN 60 Ca 0.07 1.36 -0.28 0.00 -1.82 0.00 0.00 55.36 54.70 2ctd s GLN 60 Cb -0.01 -4.28 0.08 0.00 -1.09 0.00 0.00 33.01 27.71 2ctd s GLN 60 CO 0.38 -2.13 0.76 -2.00 -1.32 0.00 0.00 175.29 170.98 2ctd s GLU 61 N 6.15 0.88 0.46 9.60 2.12 -1.26 -5.06 118.70 131.59 2ctd s GLU 61 Ca 0.81 0.60 0.06 0.00 0.36 0.00 0.00 54.97 56.80 2ctd s GLU 61 Cb -0.22 0.42 -0.01 0.00 0.26 0.00 0.00 34.13 34.58 2ctd s GLU 61 CO 0.31 -0.20 0.29 -1.64 -0.54 0.00 0.00 175.26 173.48 2ctd s MET 62 N -0.39 2.30 -0.12 4.30 -1.94 -1.26 -5.05 119.30 117.14 2ctd s MET 62 Ca -0.04 -1.87 0.02 0.00 -1.71 0.00 0.00 55.69 52.09 2ctd s MET 62 Cb -0.03 -2.08 -0.00 0.00 2.01 0.00 0.00 34.83 34.73 2ctd s MET 62 CO 0.04 -0.31 -0.19 -0.06 -0.01 0.00 0.00 175.02 174.48 2ctd s PHE 63 N -2.64 2.67 -0.17 -0.03 0.08 -1.26 -5.10 117.98 111.53 2ctd s PHE 63 Ca 0.38 -0.96 -0.02 0.00 0.12 0.00 0.00 56.93 56.44 2ctd s PHE 63 Cb 0.00 -1.78 0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2ctd s PHE 63 CO 0.22 -0.39 0.02 0.99 -0.10 0.00 0.00 175.22 175.96 2ctd s THR 64 N 0.46 0.55 1.00 0.64 2.01 -1.26 -3.44 115.64 115.60 2ctd s THR 64 Ca -0.14 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.30 2ctd s THR 64 Cb -0.17 -0.97 0.18 0.00 0.01 0.00 0.00 72.50 71.55 2ctd s THR 64 CO 0.06 -0.10 1.03 0.00 -0.69 0.00 0.00 174.62 174.92 2ctd n HIS 66 N -4.41 0.00 0.14 0.00 8.25 -1.26 -3.46 115.22 114.48 2ctd n HIS 66 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.41 2ctd n HIS 66 Cb 0.53 -0.65 -0.08 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.20 0.00 4.41 3.86 -2.01 -3.36 115.15 116.86 2ctd h HIS 67 Ca -0.37 0.02 -0.41 0.00 -1.16 0.00 0.00 60.37 58.45 2ctd h HIS 67 Cb 1.61 0.49 -0.07 0.00 1.06 0.00 0.00 27.41 30.51 2ctd h HIS 67 CO 0.02 -0.50 -2.48 0.00 0.86 0.00 0.00 177.93 175.83 2ctd n GLY 69 N 1.96 0.81 3.91 0.00 0.00 -1.22 -5.06 105.19 105.60 2ctd n GLY 69 Ca -0.48 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 0.38 3.13 -0.24 1.61 2.20 -1.26 -4.79 119.74 120.78 2ctd s LYS 70 Ca 0.00 0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.65 2ctd s LYS 70 Cb 0.00 -2.31 0.08 0.00 -1.51 0.00 0.00 37.83 34.09 2ctd s LYS 70 CO 0.00 -0.53 0.06 -0.65 -0.36 0.00 0.00 175.35 173.87 2ctd s GLN 71 N -4.90 0.64 -0.10 4.03 -0.21 -1.26 -2.23 119.66 115.62 2ctd s GLN 71 Ca 0.52 -0.65 0.03 0.00 0.02 0.00 0.00 55.36 55.27 2ctd s GLN 71 Cb -0.10 -1.98 0.01 0.00 1.00 0.00 0.00 33.01 31.93 2ctd s GLN 71 CO 0.45 -0.79 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.12 2ctd s LEU 72 N 1.80 1.95 0.24 2.90 1.43 -1.22 -5.02 118.68 120.75 2ctd s LEU 72 Ca 0.03 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 2ctd s LEU 72 Cb -0.17 -1.25 0.37 0.00 0.03 0.00 0.00 46.19 45.17 2ctd s LEU 72 CO -0.17 0.10 1.82 0.03 0.23 0.00 0.00 176.35 178.36 2ctd h ARG 73 N 6.98 0.79 -6.06 1.70 3.08 -2.00 -3.38 114.38 115.49 2ctd h ARG 73 Ca -0.26 -0.05 -0.57 0.00 0.07 0.00 0.00 59.98 59.18 2ctd h ARG 73 Cb 1.21 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 2ctd h ARG 73 CO 0.49 0.52 -0.02 -1.12 -1.07 0.00 0.00 179.97 178.77 2ctd s SER 74 N -5.64 6.95 -0.03 7.04 0.01 -1.26 -4.82 113.70 115.95 2ctd s SER 74 Ca -0.12 1.14 -0.21 0.00 1.31 0.00 0.00 55.95 58.07 2ctd s SER 74 Cb 0.19 -2.36 -0.14 0.00 0.21 0.00 0.00 66.02 63.93 2ctd s SER 74 CO 0.78 0.10 0.90 0.25 0.41 0.00 0.00 173.24 175.68 2ctd h LEU 75 N 5.68 -0.36 -0.60 2.44 5.85 -2.00 -3.16 115.31 123.17 2ctd h LEU 75 Ca -0.45 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.15 2ctd h LEU 75 Cb 1.20 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 2ctd h LEU 75 CO 0.70 0.10 -0.35 0.00 -0.34 0.00 0.00 178.44 178.55 2ctd n ALA 76 N -2.61 -0.38 -0.30 1.25 0.00 -1.26 0.08 120.51 117.29 2ctd n ALA 76 Ca -0.08 0.51 0.13 0.00 0.00 0.00 0.00 53.44 54.00 2ctd n ALA 76 Cb 0.26 0.10 0.30 0.00 0.00 0.00 0.00 19.45 20.11 2ctd n ALA 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ctd h GLY 77 N 0.00 1.43 0.78 0.00 0.00 -1.99 -1.67 103.07 101.63 2ctd h GLY 77 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 2ctd h GLY 77 CO -0.56 -0.34 -0.30 1.98 0.00 0.00 0.00 176.54 177.31 2ctd h MET 78 N 0.26 -0.82 -0.01 4.80 -1.53 -0.32 -2.40 114.93 114.91 2ctd h MET 78 Ca 0.56 0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.88 2ctd h MET 78 Cb 1.12 0.19 -0.00 0.00 -0.55 0.00 0.00 31.60 32.35 2ctd h MET 78 CO -0.61 -0.50 0.69 0.87 0.14 0.00 0.00 176.91 177.50 2ctd h LYS 79 N -1.08 0.00 0.02 0.39 1.57 0.20 1.45 116.57 119.11 2ctd h LYS 79 Ca -0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.40 2ctd h LYS 79 Cb 0.70 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 2ctd h LYS 79 CO 0.14 0.00 -1.68 -0.92 -0.57 0.00 0.00 179.45 176.42 2ctd h TYR 80 N 0.00 0.08 0.00 -1.35 5.03 -1.01 -3.34 116.97 116.38 2ctd h TYR 80 Ca 0.01 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 2ctd h TYR 80 Cb 1.40 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.67 2ctd h TYR 80 CO 0.00 1.11 -0.08 1.12 -1.32 0.00 0.00 178.16 178.98 2ctd h HIS 81 N 0.01 0.00 0.12 -3.82 2.07 0.25 -2.09 115.15 111.68 2ctd h HIS 81 Ca -0.28 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.23 2ctd h HIS 81 Cb 2.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.98 2ctd h HIS 81 CO 0.01 0.08 -0.06 0.28 -3.07 0.00 0.00 177.93 175.18 2ctd h VAL 82 N 0.00 0.81 0.00 6.12 2.07 -1.62 -2.20 116.25 121.43 2ctd h VAL 82 Ca -0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2ctd h VAL 82 Cb 0.26 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2ctd h VAL 82 CO 0.01 0.24 0.00 0.23 0.02 0.00 0.00 177.57 178.07 2ctd n MET 83 N -4.85 0.01 -0.07 1.57 2.00 -1.15 0.12 117.12 114.75 2ctd n MET 83 Ca -0.07 0.35 -0.05 0.00 0.00 0.00 0.00 57.70 57.94 2ctd n MET 83 Cb 0.25 -1.50 -0.02 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 -1.48 0.45 -0.07 3.04 0.00 -0.80 -3.98 120.51 117.66 2ctd n ALA 84 Ca 0.02 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2ctd n ALA 84 Cb 0.09 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 2ctd n ALA 84 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ctd h ASN 85 N -1.00 0.00 -0.31 0.00 2.35 -1.33 -3.34 115.58 111.95 2ctd h ASN 85 Ca -0.00 -0.69 -0.21 0.00 -0.55 0.00 0.00 56.30 54.84 2ctd h ASN 85 Cb 0.51 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.79 2ctd h ASN 85 CO -0.00 1.00 0.27 1.41 -1.65 0.00 0.00 177.43 178.46 2ctd n HIS 86 N -4.60 1.01 -1.88 1.19 8.25 0.12 -4.91 115.22 114.39 2ctd n HIS 86 Ca -0.12 -1.62 -0.42 0.00 -0.26 0.00 0.00 57.72 55.29 2ctd n HIS 86 Cb 0.43 -0.79 -0.03 0.00 1.12 0.00 0.00 29.99 30.72 2ctd n HIS 86 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2ctd s ASN 87 N 0.79 5.69 -0.21 0.41 3.84 -1.16 -4.64 114.94 119.67 2ctd s ASN 87 Ca 0.20 1.39 0.04 0.00 0.21 0.00 0.00 52.86 54.71 2ctd s ASN 87 Cb 0.16 -2.52 -0.21 0.00 -0.55 0.00 0.00 41.25 38.13 2ctd s ASN 87 CO -0.00 -1.86 0.01 -1.54 -2.79 0.00 0.00 177.10 170.92 2ctd n SER 88 N 11.00 1.52 -4.54 -4.21 3.41 -1.26 -4.98 113.62 114.55 2ctd n SER 88 Ca 0.25 -0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.50 2ctd n SER 88 Cb 0.47 -0.18 0.08 0.00 -0.26 0.00 0.00 64.21 64.32 2ctd n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ctd n LEU 89 N -3.18 2.23 0.00 1.04 4.77 -1.26 -4.85 117.00 115.75 2ctd n LEU 89 Ca -0.39 0.62 0.07 0.00 -0.03 0.00 0.00 56.01 56.28 2ctd n LEU 89 Cb 1.04 -1.32 0.37 0.00 -2.33 0.00 0.00 43.42 41.18 2ctd n LEU 89 CO 0.34 -2.55 0.70 -0.81 -1.33 0.00 0.00 177.39 173.74 2ctd n PRO 90 N -1.43 0.21 -1.61 3.23 -0.04 -1.26 -4.84 135.00 129.27 2ctd n PRO 90 Ca 0.11 0.14 -0.40 0.00 -0.04 0.00 0.00 63.50 63.31 2ctd n PRO 90 Cb 0.50 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 2ctd n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctd n SER 91 N -1.28 1.12 0.00 3.54 2.88 -1.26 -4.92 113.62 113.70 2ctd n SER 91 Ca 0.07 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2ctd n SER 91 Cb 0.12 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 2ctd n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctd n GLY 92 N 1.21 4.12 3.77 0.46 0.00 -1.26 -5.05 105.19 108.44 2ctd n GLY 92 Ca 0.10 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.28 2.65 0.19 1.61 0.04 -1.26 -5.06 135.00 128.88 2ctd s PRO 93 Ca 0.00 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.42 2ctd s PRO 93 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2ctd s PRO 93 CO 0.00 -1.36 0.14 0.45 0.04 0.00 0.00 177.00 176.27 2ctd s SER 94 N -2.82 5.48 -0.12 6.66 0.15 -1.26 -5.05 113.70 116.73 2ctd s SER 94 Ca 0.65 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.92 2ctd s SER 94 Cb -0.19 -1.41 -0.18 0.00 -1.71 0.00 0.00 66.02 62.53 2ctd s SER 94 CO 0.46 0.04 0.58 0.77 1.20 0.00 0.00 173.24 176.29 2ctd h SER 95 N 2.18 -0.01 -0.01 5.45 4.64 -2.09 -3.58 113.55 120.14 2ctd h SER 95 Ca -0.48 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.16 2ctd h SER 95 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2ctd h SER 95 CO 0.62 0.81 0.00 0.61 -0.87 0.00 0.00 176.83 178.01