#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 0.05 0.14 1.61 0.15 -1.26 -5.17 113.70 109.22 2ctd s SER 2 Ca 0.00 -0.26 -0.09 0.00 0.70 0.00 0.00 55.95 56.29 2ctd s SER 2 Cb 0.00 0.21 -0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2ctd s SER 2 CO 0.00 -0.40 0.26 -0.44 1.20 0.00 0.00 173.24 173.87 2ctd s SER 3 N -1.52 0.05 0.00 5.45 0.01 -1.26 -5.18 113.70 111.25 2ctd s SER 3 Ca -0.13 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2ctd s SER 3 Cb -0.07 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2ctd s SER 3 CO 0.01 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2ctd n GLY 4 N -0.17 4.81 3.82 3.44 0.00 -1.26 -5.19 105.19 110.64 2ctd n GLY 4 Ca -0.10 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 1.28 -0.16 0.37 1.61 0.15 -1.26 -5.19 113.70 110.51 2ctd s SER 5 Ca 0.00 -0.67 0.04 0.00 0.70 0.00 0.00 55.95 56.01 2ctd s SER 5 Cb 0.00 0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 64.94 2ctd s SER 5 CO 0.00 -1.27 0.08 -0.44 1.20 0.00 0.00 173.24 172.82 2ctd s SER 6 N -3.00 2.67 0.00 5.45 0.01 -1.26 -5.16 113.70 112.41 2ctd s SER 6 Ca 0.13 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.87 2ctd s SER 6 Cb -0.04 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2ctd s SER 6 CO 0.06 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2ctd n GLY 7 N -0.82 1.98 2.79 3.44 0.00 -1.26 -5.15 105.19 106.16 2ctd n GLY 7 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 2ctd n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ctd s ARG 8 N 3.73 0.13 0.46 1.61 3.52 -1.26 -5.14 118.95 122.00 2ctd s ARG 8 Ca 0.00 0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 55.52 2ctd s ARG 8 Cb 0.00 -0.38 -0.08 0.00 -1.56 0.00 0.00 34.95 32.93 2ctd s ARG 8 CO 0.00 -0.16 1.11 -1.50 -0.81 0.00 0.00 175.30 173.94 2ctd s ILE 9 N 1.12 3.36 0.09 4.11 2.07 -1.26 -5.00 121.20 125.70 2ctd s ILE 9 Ca -0.08 0.98 -0.30 0.00 -1.41 0.00 0.00 60.65 59.84 2ctd s ILE 9 Cb -0.13 -3.48 -0.05 0.00 0.13 0.00 0.00 42.46 38.92 2ctd s ILE 9 CO -0.02 -0.05 1.04 -0.13 -1.91 0.00 0.00 174.94 173.87 2ctd s ARG 10 N -2.77 4.59 0.44 3.50 3.00 -1.26 -4.98 118.95 121.46 2ctd s ARG 10 Ca 0.63 1.56 -0.22 0.00 0.00 0.00 0.00 55.73 57.71 2ctd s ARG 10 Cb -0.25 -3.37 -0.12 0.00 0.00 0.00 0.00 34.95 31.21 2ctd s ARG 10 CO 0.30 0.02 0.48 0.36 0.00 0.00 0.00 175.30 176.46 2ctd n LYS 11 N 3.22 0.50 -3.12 3.54 0.00 -1.26 -4.91 118.16 116.13 2ctd n LYS 11 Ca 0.05 0.18 -0.40 0.00 -0.00 0.00 0.00 58.31 58.14 2ctd n LYS 11 Cb 0.48 -1.47 -0.05 0.00 -0.00 0.00 0.00 35.03 33.99 2ctd n LYS 11 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2ctd s GLU 12 N -1.58 4.29 -0.05 -1.58 2.02 -1.26 -5.03 118.70 115.52 2ctd s GLU 12 Ca 0.63 0.67 -0.30 0.00 0.02 0.00 0.00 54.97 56.00 2ctd s GLU 12 Cb -0.58 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.08 2ctd s GLU 12 CO 0.58 -0.11 1.49 -1.25 0.02 0.00 0.00 175.26 175.99 2ctd s PRO 13 N 1.45 4.23 0.00 0.39 0.04 -1.26 -5.02 135.00 134.83 2ctd s PRO 13 Ca 0.31 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2ctd s PRO 13 Cb -0.16 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.60 2ctd s PRO 13 CO 0.12 -0.72 0.00 -0.35 0.04 0.00 0.00 177.00 176.10 2ctd n PRO 14 N 6.33 -0.74 -0.34 0.56 -0.04 -1.26 -4.85 135.00 134.65 2ctd n PRO 14 Ca 0.15 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.76 2ctd n PRO 14 Cb 0.43 0.00 0.30 0.00 -0.04 0.00 0.00 33.50 34.19 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 -1.37 0.02 -1.55 0.52 3.04 -2.05 -3.40 116.25 111.46 2ctd h VAL 15 Ca 0.00 -0.00 -0.44 0.00 -1.01 0.00 0.00 66.70 65.24 2ctd h VAL 15 Cb 0.00 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.29 2ctd h VAL 15 CO 0.00 0.00 -0.31 -0.72 -1.01 0.00 0.00 177.57 175.53 2ctd s TYR 16 N -6.00 2.85 1.30 3.17 -0.85 -1.26 -5.10 117.35 111.46 2ctd s TYR 16 Ca -0.13 -0.38 -0.18 0.00 -0.52 0.00 0.00 57.07 55.86 2ctd s TYR 16 Cb 0.29 -2.22 0.31 0.00 0.38 0.00 0.00 41.96 40.72 2ctd s TYR 16 CO 0.78 -0.24 0.80 0.00 -1.52 0.00 0.00 175.55 175.37 2ctd n ALA 17 N -1.71 -3.91 -0.96 9.51 0.00 -1.26 -4.87 120.51 117.30 2ctd n ALA 17 Ca 0.05 -1.54 -0.21 0.00 0.00 0.00 0.00 53.44 51.74 2ctd n ALA 17 Cb 0.59 -1.68 0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 -5.29 5.36 0.00 0.00 0.00 -1.26 -4.25 120.51 115.06 2ctd n ALA 18 Ca 0.07 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.44 2ctd n ALA 18 Cb 0.56 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.02 0.00 3.77 0.00 0.00 -1.26 -5.18 105.19 102.54 2ctd n GLY 19 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 4.21 -0.01 1.61 0.01 -1.26 -5.07 113.70 113.20 2ctd s SER 20 Ca 0.00 -1.51 -0.20 0.00 1.31 0.00 0.00 55.95 55.55 2ctd s SER 20 Cb 0.00 0.34 -0.30 0.00 0.21 0.00 0.00 66.02 66.27 2ctd s SER 20 CO 0.00 -0.83 0.98 -0.07 0.41 0.00 0.00 173.24 173.73 2ctd h LEU 21 N 1.29 0.60 -1.17 2.44 3.38 -2.01 -3.29 115.31 116.55 2ctd h LEU 21 Ca -0.43 -0.89 0.32 0.00 0.09 0.00 0.00 57.88 56.98 2ctd h LEU 21 Cb 1.30 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 2ctd h LEU 21 CO 0.72 1.44 0.65 -0.33 0.09 0.00 0.00 178.44 181.01 2ctd h GLU 22 N -0.14 0.31 0.46 1.13 5.08 -1.99 0.01 114.58 119.44 2ctd h GLU 22 Ca -0.15 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2ctd h GLU 22 Cb 1.70 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.88 2ctd h GLU 22 CO 0.18 0.21 -0.22 1.49 -1.00 0.00 0.00 179.01 179.66 2ctd h GLU 23 N 0.32 -0.60 -0.16 2.33 4.81 -1.92 -2.25 114.58 117.12 2ctd h GLU 23 Ca 0.71 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 60.01 2ctd h GLU 23 Cb 1.77 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 31.23 2ctd h GLU 23 CO -0.48 -0.32 -0.46 1.96 -0.73 0.00 0.00 179.01 178.98 2ctd h GLN 24 N -0.80 -0.44 -0.66 1.92 4.20 -1.11 -1.48 115.11 116.73 2ctd h GLN 24 Ca -0.06 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.81 2ctd h GLN 24 Cb 0.56 0.10 -0.12 0.00 0.30 0.00 0.00 27.48 28.32 2ctd h GLN 24 CO 0.10 -0.30 -0.11 -1.49 -0.67 0.00 0.00 178.83 176.37 2ctd h TRP 25 N -0.46 -0.25 -0.68 2.96 6.55 -1.47 0.36 115.95 122.97 2ctd h TRP 25 Ca 0.03 0.06 0.15 0.00 0.95 0.00 0.00 58.89 60.07 2ctd h TRP 25 Cb 0.56 0.21 -0.11 0.00 -0.86 0.00 0.00 29.16 28.96 2ctd h TRP 25 CO -0.59 -0.26 0.06 -0.92 -1.05 0.00 0.00 178.44 175.68 2ctd h TYR 26 N 0.03 0.07 -0.21 0.49 3.20 -0.66 -0.80 116.97 119.09 2ctd h TYR 26 Ca 0.33 0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.28 2ctd h TYR 26 Cb 0.53 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 2ctd h TYR 26 CO -0.49 -0.15 0.03 -0.07 -1.64 0.00 0.00 178.16 175.85 2ctd h LEU 27 N 0.17 -0.01 -1.14 2.82 3.38 -0.19 0.11 115.31 120.45 2ctd h LEU 27 Ca 0.37 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2ctd h LEU 27 Cb 0.62 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2ctd h LEU 27 CO -0.54 0.03 0.29 -0.08 0.09 0.00 0.00 178.44 178.22 2ctd h GLU 28 N 0.12 0.00 0.01 1.13 4.81 -0.68 0.13 114.58 120.10 2ctd h GLU 28 Ca 0.10 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.92 2ctd h GLU 28 Cb 0.10 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 2ctd h GLU 28 CO -0.14 0.00 -2.26 -0.89 -0.73 0.00 0.00 179.01 175.00 2ctd n ILE 29 N -2.24 1.54 0.30 2.32 5.41 -0.11 -2.95 119.36 123.62 2ctd n ILE 29 Ca -0.01 -0.35 0.16 0.00 1.00 0.00 0.00 62.75 63.55 2ctd n ILE 29 Cb 0.31 -1.84 0.76 0.00 -0.71 0.00 0.00 39.64 38.15 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 -0.81 0.00 0.02 1.39 -1.51 0.04 1.20 116.25 116.59 2ctd h VAL 30 Ca -0.60 -0.22 -0.38 0.00 -1.23 0.00 0.00 66.70 64.27 2ctd h VAL 30 Cb 1.61 1.05 -0.06 0.00 -2.13 0.00 0.00 31.29 31.76 2ctd h VAL 30 CO -0.31 0.00 -2.33 -0.67 -1.23 0.00 0.00 177.57 173.03 2ctd n ASP 31 N -2.72 1.61 -0.04 4.19 -0.08 0.35 -4.80 116.55 115.07 2ctd n ASP 31 Ca -0.00 -0.02 -0.08 0.00 -1.51 0.00 0.00 54.79 53.18 2ctd n ASP 31 Cb 0.18 -0.24 -0.03 0.00 2.34 0.00 0.00 41.12 43.37 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 -3.21 0.28 0.00 -0.67 4.76 -1.07 -5.06 118.16 113.20 2ctd n LYS 32 Ca -0.40 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 2ctd n LYS 32 Cb 1.03 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 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 2.34 0.57 3.73 0.72 0.00 0.41 -4.99 105.19 107.97 2ctd n GLY 33 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.22 0.04 1.61 1.04 -1.25 -4.69 113.70 110.23 2ctd s SER 34 Ca 0.00 -0.67 0.07 0.00 0.48 0.00 0.00 55.95 55.83 2ctd s SER 34 Cb 0.00 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 2ctd s SER 34 CO 0.00 -1.24 -0.21 0.54 0.98 0.00 0.00 173.24 173.31 2ctd s VAL 35 N -3.94 1.70 0.08 5.02 0.11 -0.80 -3.75 120.40 118.82 2ctd s VAL 35 Ca 0.14 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 2ctd s VAL 35 Cb -0.04 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 2ctd s VAL 35 CO 0.06 0.25 0.23 -0.55 -3.33 0.00 0.00 175.10 171.77 2ctd s SER 36 N -1.08 6.36 -0.13 3.54 0.15 -1.26 -1.05 113.70 120.22 2ctd s SER 36 Ca 0.08 0.27 -0.32 0.00 0.70 0.00 0.00 55.95 56.69 2ctd s SER 36 Cb -0.09 -1.96 -0.09 0.00 -1.71 0.00 0.00 66.02 62.17 2ctd s SER 36 CO 0.01 0.14 2.05 0.00 1.20 0.00 0.00 173.24 176.64 2ctd n PRO 38 N 7.70 0.28 -0.07 0.00 -0.04 -1.26 0.70 135.00 142.32 2ctd n PRO 38 Ca 0.27 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.77 2ctd n PRO 38 Cb 0.36 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.21 1.28 -0.10 0.52 -1.04 -1.26 -4.77 114.28 107.71 2ctd n THR 39 Ca 0.08 0.21 -0.12 0.00 -2.04 0.00 0.00 64.05 62.18 2ctd n THR 39 Cb 0.10 -2.26 -0.15 0.00 -1.82 0.00 0.00 70.33 66.20 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 -2.92 -5.09 -0.08 0.00 6.02 0.22 -4.92 117.38 110.61 2ctd n GLN 41 Ca -0.35 0.68 -0.10 0.00 -0.01 0.00 0.00 57.00 57.22 2ctd n GLN 41 Cb 1.11 -5.15 -0.10 0.00 1.02 0.00 0.00 30.24 27.12 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 -3.84 1.63 -2.37 -1.58 0.00 -1.26 -4.87 120.51 108.22 2ctd n ALA 42 Ca -0.04 -0.84 -0.09 0.00 0.00 0.00 0.00 53.44 52.46 2ctd n ALA 42 Cb 0.57 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.35 0.41 0.04 0.00 -7.23 -1.26 -5.00 120.40 105.00 2ctd s VAL 43 Ca -0.16 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2ctd s VAL 43 Cb 0.05 -1.24 -0.00 0.00 0.56 0.00 0.00 36.38 35.75 2ctd s VAL 43 CO 0.49 -0.79 0.02 0.61 -0.31 0.00 0.00 175.10 175.12 2ctd n GLY 44 N 0.49 3.98 3.16 2.32 0.00 -1.26 -0.80 105.19 113.09 2ctd n GLY 44 Ca -0.16 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 2ctd n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctd s ARG 45 N -2.16 0.63 0.20 1.61 1.81 -0.22 -4.89 118.95 115.93 2ctd s ARG 45 Ca 0.03 -0.59 -0.12 0.00 -1.72 0.00 0.00 55.73 53.34 2ctd s ARG 45 Cb 0.00 0.26 0.23 0.00 -0.45 0.00 0.00 34.95 34.99 2ctd s ARG 45 CO 0.02 -0.17 1.71 0.87 -0.68 0.00 0.00 175.30 177.05 2ctd h LYS 46 N 3.68 0.23 -4.93 3.54 1.79 -1.88 -2.14 116.57 116.86 2ctd h LYS 46 Ca -0.32 -0.01 -0.31 0.00 -2.18 0.00 0.00 60.65 57.83 2ctd h LYS 46 Cb 1.19 -0.05 -0.17 0.00 -1.58 0.00 0.00 32.23 31.61 2ctd h LYS 46 CO 0.47 0.15 -0.73 0.95 -1.08 0.00 0.00 179.45 179.21 2ctd s THR 47 N -6.13 0.92 0.25 -0.16 -4.23 -1.26 -4.32 115.64 100.72 2ctd s THR 47 Ca -0.13 -1.68 -0.12 0.00 -1.18 0.00 0.00 61.69 58.59 2ctd s THR 47 Cb 0.16 -1.40 0.36 0.00 1.34 0.00 0.00 72.50 72.96 2ctd s THR 47 CO 0.73 -0.59 1.57 0.40 -0.54 0.00 0.00 174.62 176.19 2ctd h ILE 48 N 3.49 0.07 -0.84 2.99 2.04 -1.94 0.17 117.51 123.49 2ctd h ILE 48 Ca -0.37 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.66 2ctd h ILE 48 Cb 1.19 0.07 -0.16 0.00 -0.74 0.00 0.00 36.82 37.18 2ctd h ILE 48 CO 0.54 0.00 -0.19 -1.84 0.00 0.00 0.00 178.15 176.66 2ctd n GLU 49 N -5.55 -0.07 0.23 2.37 0.28 -1.26 -0.18 120.64 116.46 2ctd n GLU 49 Ca 0.13 1.31 -0.15 0.00 -0.16 0.00 0.00 57.16 58.28 2ctd n GLU 49 Cb 0.44 -1.96 -0.08 0.00 1.43 0.00 0.00 31.44 31.26 2ctd n GLU 49 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2ctd h GLY 50 N 0.00 -0.58 0.35 -1.84 0.00 -1.05 -3.12 103.07 96.83 2ctd h GLY 50 Ca 0.41 0.22 0.09 0.00 0.00 0.00 0.00 47.33 48.05 2ctd h GLY 50 CO -0.86 -0.21 0.11 -2.00 0.00 0.00 0.00 176.54 173.58 2ctd h LEU 51 N -0.68 0.02 -0.94 3.11 5.85 -0.47 -2.27 115.31 119.92 2ctd h LEU 51 Ca -0.06 0.09 0.15 0.00 0.84 0.00 0.00 57.88 58.90 2ctd h LEU 51 Cb 0.49 0.12 -0.16 0.00 0.37 0.00 0.00 40.66 41.48 2ctd h LEU 51 CO 0.09 0.04 -0.37 0.11 -0.34 0.00 0.00 178.44 177.97 2ctd h LYS 52 N 0.25 -0.02 -0.50 1.25 1.79 -0.52 1.26 116.57 120.08 2ctd h LYS 52 Ca 0.26 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.77 2ctd h LYS 52 Cb 0.34 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 2ctd h LYS 52 CO -0.33 -0.01 0.33 0.87 -1.08 0.00 0.00 179.45 179.23 2ctd h LYS 53 N -0.02 0.52 0.04 3.15 1.79 -1.39 0.89 116.57 121.54 2ctd h LYS 53 Ca 0.34 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.78 2ctd h LYS 53 Cb 0.60 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2ctd h LYS 53 CO -0.95 0.34 -0.02 1.25 -1.08 0.00 0.00 179.45 179.00 2ctd h HIS 54 N 0.54 -0.05 0.00 -1.35 2.76 0.16 -3.18 115.15 114.02 2ctd h HIS 54 Ca 0.21 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 2ctd h HIS 54 Cb 0.15 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 2ctd h HIS 54 CO -0.00 0.46 -0.14 0.00 -1.30 0.00 0.00 177.93 176.95 2ctd h MET 55 N -0.58 0.00 0.00 5.26 -0.00 -0.13 -1.45 114.93 118.03 2ctd h MET 55 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 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 0.01 0.14 0.29 0.93 -0.00 0.00 0.00 176.91 178.27 2ctd h GLU 56 N 0.00 0.00 0.00 -0.10 4.39 0.82 -0.45 114.58 119.24 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 0.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2ctd h GLU 56 CO 0.02 0.00 -0.39 0.09 -1.16 0.00 0.00 179.01 177.57 2ctd n ASN 57 N -2.29 1.71 -0.05 1.42 3.02 -1.16 -4.85 115.26 113.06 2ctd n ASN 57 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.41 2ctd n ASN 57 Cb 0.32 0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.50 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 -4.63 0.41 -3.23 0.00 3.00 -0.19 -4.91 118.16 108.60 2ctd n LYS 59 Ca -0.06 0.15 -0.33 0.00 -0.00 0.00 0.00 58.31 58.07 2ctd n LYS 59 Cb 0.31 -1.72 -0.06 0.00 0.00 0.00 0.00 35.03 33.56 2ctd n LYS 59 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2ctd s GLN 60 N 3.30 3.98 0.32 1.64 -2.07 -1.26 -4.98 119.66 120.58 2ctd s GLN 60 Ca 1.03 0.56 -0.29 0.00 -1.82 0.00 0.00 55.36 54.85 2ctd s GLN 60 Cb -1.35 -2.60 -0.10 0.00 -1.09 0.00 0.00 33.01 27.87 2ctd s GLN 60 CO 0.76 0.27 1.29 -1.83 -1.32 0.00 0.00 175.29 174.45 2ctd s GLU 61 N -2.70 4.38 0.29 9.60 -1.05 -1.26 -5.03 118.70 122.94 2ctd s GLU 61 Ca 0.49 2.17 0.05 0.00 -0.15 0.00 0.00 54.97 57.53 2ctd s GLU 61 Cb -0.12 -3.09 -0.03 0.00 -0.44 0.00 0.00 34.13 30.45 2ctd s GLU 61 CO 0.19 -0.15 0.24 -1.64 0.95 0.00 0.00 175.26 174.84 2ctd s MET 62 N -1.64 1.59 0.22 -4.83 -1.94 -1.26 -5.14 119.30 106.31 2ctd s MET 62 Ca 0.49 -1.90 0.05 0.00 -1.71 0.00 0.00 55.69 52.62 2ctd s MET 62 Cb -0.39 0.31 -0.05 0.00 2.01 0.00 0.00 34.83 36.71 2ctd s MET 62 CO 0.51 -0.58 -0.05 -0.06 -0.01 0.00 0.00 175.02 174.83 2ctd s PHE 63 N -3.65 1.62 -0.30 -0.03 0.08 -1.26 -5.15 117.98 109.28 2ctd s PHE 63 Ca 0.40 -0.80 -0.09 0.00 0.12 0.00 0.00 56.93 56.56 2ctd s PHE 63 Cb 0.04 -0.90 0.16 0.00 -0.57 0.00 0.00 43.02 41.75 2ctd s PHE 63 CO 0.23 0.10 0.77 0.99 -0.10 0.00 0.00 175.22 177.21 2ctd s THR 64 N -3.26 -0.80 0.93 0.64 2.01 -1.26 -4.35 115.64 109.55 2ctd s THR 64 Ca 0.26 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.16 2ctd s THR 64 Cb 0.04 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.70 2ctd s THR 64 CO 0.08 0.00 1.10 0.00 -0.69 0.00 0.00 174.62 175.11 2ctd n HIS 66 N -4.26 0.00 0.21 0.00 8.25 -1.26 -3.44 115.22 114.72 2ctd n HIS 66 Ca 0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.44 2ctd n HIS 66 Cb 0.52 -0.75 -0.07 0.00 1.12 0.00 0.00 29.99 30.80 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 -1.05 0.00 4.41 3.86 -2.01 -3.37 115.15 116.99 2ctd h HIS 67 Ca -0.43 0.01 -0.44 0.00 -1.16 0.00 0.00 60.37 58.34 2ctd h HIS 67 Cb 1.74 0.41 -0.07 0.00 1.06 0.00 0.00 27.41 30.56 2ctd h HIS 67 CO 0.02 -0.50 -2.52 0.00 0.86 0.00 0.00 177.93 175.79 2ctd n GLY 69 N 1.56 1.31 3.82 0.00 0.00 -1.22 -5.05 105.19 105.60 2ctd n GLY 69 Ca -0.52 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.20 3.97 -0.30 1.61 2.20 -1.26 -4.74 119.74 121.03 2ctd s LYS 70 Ca 0.00 1.13 0.01 0.00 -0.36 0.00 0.00 55.97 56.75 2ctd s LYS 70 Cb 0.00 -2.14 0.09 0.00 -1.51 0.00 0.00 37.83 34.27 2ctd s LYS 70 CO 0.00 -0.26 0.04 -0.65 -0.36 0.00 0.00 175.35 174.12 2ctd s GLN 71 N -3.54 1.23 0.09 4.03 -0.21 -1.26 -2.18 119.66 117.82 2ctd s GLN 71 Ca 0.62 -1.30 0.09 0.00 0.02 0.00 0.00 55.36 54.79 2ctd s GLN 71 Cb -0.11 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 2ctd s GLN 71 CO 0.22 -0.85 -0.20 -0.51 -2.12 0.00 0.00 175.29 171.83 2ctd s LEU 72 N 1.32 2.57 0.01 2.90 1.43 -1.26 -5.06 118.68 120.59 2ctd s LEU 72 Ca 0.05 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.36 2ctd s LEU 72 Cb -0.18 -1.47 -0.16 0.00 0.03 0.00 0.00 46.19 44.41 2ctd s LEU 72 CO -0.14 0.21 1.19 0.03 0.23 0.00 0.00 176.35 177.87 2ctd h ARG 73 N 4.08 -0.48 -7.29 1.70 2.47 -1.99 -3.40 114.38 109.47 2ctd h ARG 73 Ca -0.49 0.03 -0.51 0.00 -1.26 0.00 0.00 59.98 57.76 2ctd h ARG 73 Cb 1.16 0.11 0.05 0.00 -1.65 0.00 0.00 29.97 29.65 2ctd h ARG 73 CO 0.45 -0.16 0.37 -1.12 0.56 0.00 0.00 179.97 180.07 2ctd s SER 74 N -4.98 6.25 -0.18 7.04 0.01 -1.26 -4.85 113.70 115.72 2ctd s SER 74 Ca -0.14 1.35 -0.19 0.00 1.31 0.00 0.00 55.95 58.28 2ctd s SER 74 Cb 0.02 -2.44 -0.16 0.00 0.21 0.00 0.00 66.02 63.66 2ctd s SER 74 CO 0.52 -0.82 0.19 0.25 0.41 0.00 0.00 173.24 173.79 2ctd h LEU 75 N -0.20 0.00 -0.70 2.44 5.85 -2.00 -3.32 115.31 117.38 2ctd h LEU 75 Ca -0.45 -0.44 0.08 0.00 0.84 0.00 0.00 57.88 57.92 2ctd h LEU 75 Cb 1.19 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.11 2ctd h LEU 75 CO 0.62 1.22 -0.51 0.00 -0.34 0.00 0.00 178.44 179.43 2ctd h ALA 76 N -0.56 -0.47 -0.74 1.25 0.00 -1.98 0.46 119.26 117.22 2ctd h ALA 76 Ca -0.21 0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.94 2ctd h ALA 76 Cb 1.02 1.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.85 2ctd h ALA 76 CO -0.13 -0.91 0.28 0.78 0.00 0.00 0.00 179.25 179.28 2ctd h GLY 77 N -0.19 1.11 0.30 0.00 0.00 -2.00 -2.18 103.07 100.11 2ctd h GLY 77 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2ctd h GLY 77 CO -0.77 -0.10 -0.14 1.98 0.00 0.00 0.00 176.54 177.51 2ctd h MET 78 N 0.43 -0.39 -1.31 4.80 -1.53 -0.93 -2.48 114.93 113.52 2ctd h MET 78 Ca 0.41 0.03 0.38 0.00 -3.44 0.00 0.00 59.70 57.07 2ctd h MET 78 Cb 0.61 0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 31.70 2ctd h MET 78 CO -0.40 -0.26 1.18 1.63 0.14 0.00 0.00 176.91 179.20 2ctd n LYS 79 N -3.58 0.01 0.06 0.39 5.02 0.14 0.23 118.16 120.41 2ctd n LYS 79 Ca -0.05 0.94 -0.21 0.00 -2.02 0.00 0.00 58.31 56.97 2ctd n LYS 79 Cb 0.16 -2.26 -0.15 0.00 -0.02 0.00 0.00 35.03 32.76 2ctd n LYS 79 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2ctd h TYR 80 N 0.00 0.59 -0.64 2.13 5.03 -1.29 -3.28 116.97 119.51 2ctd h TYR 80 Ca 0.62 -0.43 0.18 0.00 2.58 0.00 0.00 58.73 61.69 2ctd h TYR 80 Cb 2.98 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 41.21 2ctd h TYR 80 CO 0.00 1.40 0.71 1.12 -1.32 0.00 0.00 178.16 180.07 2ctd h HIS 81 N -0.28 0.00 -0.01 -3.82 2.07 0.33 0.36 115.15 113.80 2ctd h HIS 81 Ca -0.19 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.13 2ctd h HIS 81 Cb 1.75 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.74 2ctd h HIS 81 CO 0.17 0.00 -0.76 0.28 -3.07 0.00 0.00 177.93 174.55 2ctd h VAL 82 N 0.00 1.36 -0.02 6.12 2.07 -1.58 -2.46 116.25 121.74 2ctd h VAL 82 Ca 0.30 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2ctd h VAL 82 Cb 1.72 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 2ctd h VAL 82 CO -0.00 0.63 0.00 0.23 0.02 0.00 0.00 177.57 178.45 2ctd n MET 83 N -4.07 1.08 0.01 1.57 2.00 0.12 -0.03 117.12 117.80 2ctd n MET 83 Ca -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 57.70 57.48 2ctd n MET 83 Cb 0.75 -1.23 -0.01 0.00 0.00 0.00 0.00 33.22 32.73 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 -0.24 2.74 0.05 3.04 0.00 -0.96 -4.34 120.51 120.79 2ctd n ALA 84 Ca 0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 2ctd n ALA 84 Cb 0.13 0.33 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.13 0.51 0.04 0.00 2.35 -1.54 -3.39 115.58 113.42 2ctd h ASN 85 Ca -0.04 -0.90 -0.18 0.00 -0.55 0.00 0.00 56.30 54.62 2ctd h ASN 85 Cb 0.56 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2ctd h ASN 85 CO -0.03 1.68 -0.97 0.45 -1.65 0.00 0.00 177.43 176.91 2ctd h HIS 86 N -0.11 0.16 -4.96 1.19 3.86 -1.52 -3.47 115.15 110.29 2ctd h HIS 86 Ca -0.31 -0.11 -0.23 0.00 -1.16 0.00 0.00 60.37 58.56 2ctd h HIS 86 Cb 1.92 -0.01 -0.14 0.00 1.06 0.00 0.00 27.41 30.24 2ctd h HIS 86 CO 0.12 1.38 -0.33 -1.71 0.86 0.00 0.00 177.93 178.25 2ctd n ASN 87 N -4.30 -1.02 -4.36 2.45 2.85 0.95 -4.83 115.26 107.00 2ctd n ASN 87 Ca -0.24 -0.28 -0.38 0.00 -0.11 0.00 0.00 54.58 53.58 2ctd n ASN 87 Cb 0.70 -0.94 -0.12 0.00 1.24 0.00 0.00 39.78 40.66 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2ctd s SER 88 N -2.03 5.25 -0.16 1.20 1.04 -1.26 -5.02 113.70 112.71 2ctd s SER 88 Ca 0.30 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 55.97 2ctd s SER 88 Cb -0.18 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 2ctd s SER 88 CO 0.37 -0.21 0.03 -0.76 0.98 0.00 0.00 173.24 173.65 2ctd s LEU 89 N 1.52 3.63 0.46 2.42 1.43 -1.26 -5.09 118.68 121.79 2ctd s LEU 89 Ca 0.03 0.04 -0.23 0.00 -1.03 0.00 0.00 54.13 52.93 2ctd s LEU 89 Cb -0.17 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.08 2ctd s LEU 89 CO 0.03 0.21 1.16 -2.16 0.23 0.00 0.00 176.35 175.83 2ctd s PRO 90 N 0.16 3.77 -0.62 1.29 0.04 -1.26 -4.88 135.00 133.51 2ctd s PRO 90 Ca 0.02 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 2ctd s PRO 90 Cb -0.13 -2.42 -0.11 0.00 0.04 0.00 0.00 34.50 31.89 2ctd s PRO 90 CO 0.01 -0.54 2.47 0.45 0.04 0.00 0.00 177.00 179.43 2ctd n SER 91 N -0.47 1.83 0.00 6.66 2.88 -1.26 -4.74 113.62 118.52 2ctd n SER 91 Ca 0.07 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 2ctd n SER 91 Cb 0.48 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 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 6.14 2.68 0.22 0.46 0.00 -1.26 -5.01 105.19 108.42 2ctd n GLY 92 Ca 0.44 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.73 2ctd n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctd h PRO 93 N 0.00 0.00 -5.10 1.61 0.13 -2.03 -3.42 132.00 123.19 2ctd h PRO 93 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2ctd h PRO 93 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 2ctd h PRO 93 CO 0.00 0.26 -0.56 -1.12 -0.23 0.00 0.00 178.00 176.36 2ctd s SER 94 N -6.33 5.70 -0.41 1.44 0.01 -1.26 -5.06 113.70 107.80 2ctd s SER 94 Ca -0.01 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.30 2ctd s SER 94 Cb 0.11 -2.01 0.11 0.00 0.21 0.00 0.00 66.02 64.45 2ctd s SER 94 CO 0.65 0.07 0.15 -0.55 0.41 0.00 0.00 173.24 173.96 2ctd s SER 95 N 1.03 4.41 0.00 2.44 0.15 -1.26 -5.13 113.70 115.34 2ctd s SER 95 Ca 0.06 -2.44 0.00 0.00 0.70 0.00 0.00 55.95 54.26 2ctd s SER 95 Cb -0.14 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2ctd s SER 95 CO 0.04 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.77