#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 -0.12 0.00 1.61 1.04 -1.26 -5.19 113.70 109.78 2ctd s SER 2 Ca 0.00 -0.20 -0.30 0.00 0.48 0.00 0.00 55.95 55.93 2ctd s SER 2 Cb 0.00 0.27 0.11 0.00 0.10 0.00 0.00 66.02 66.51 2ctd s SER 2 CO 0.00 -0.50 1.25 -0.94 0.98 0.00 0.00 173.24 174.03 2ctd s SER 3 N -2.87 -0.06 0.00 7.02 1.04 -1.26 -5.19 113.70 112.38 2ctd s SER 3 Ca 0.13 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2ctd s SER 3 Cb 0.02 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2ctd s SER 3 CO -0.02 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2ctd n GLY 4 N -0.52 -1.23 3.57 7.32 0.00 -1.26 -5.18 105.19 107.88 2ctd n GLY 4 Ca -0.07 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 2ctd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctd s SER 5 N -4.00 -0.28 0.34 1.61 1.04 -1.26 -5.19 113.70 105.96 2ctd s SER 5 Ca 0.00 0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.48 2ctd s SER 5 Cb 0.00 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.40 2ctd s SER 5 CO 0.00 -0.35 0.63 -0.44 0.98 0.00 0.00 173.24 174.06 2ctd s SER 6 N -1.69 0.28 0.00 7.02 0.01 -1.26 -5.14 113.70 112.91 2ctd s SER 6 Ca 0.04 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.12 2ctd s SER 6 Cb -0.01 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2ctd s SER 6 CO -0.04 -1.45 0.00 0.61 0.41 0.00 0.00 173.24 172.78 2ctd n GLY 7 N -0.51 1.38 2.49 3.44 0.00 -1.26 -4.96 105.19 105.77 2ctd n GLY 7 Ca -0.04 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 2ctd n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ctd n ARG 8 N 2.35 2.78 -4.25 1.61 1.85 -1.26 -4.89 116.66 114.85 2ctd n ARG 8 Ca 0.00 -3.44 -0.30 0.00 -1.00 0.00 0.00 57.85 53.11 2ctd n ARG 8 Cb 0.00 -2.28 -0.10 0.00 -1.05 0.00 0.00 32.46 29.03 2ctd n ARG 8 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2ctd n ILE 9 N -0.78 -0.95 -3.82 8.89 5.41 -1.26 -4.90 119.36 121.95 2ctd n ILE 9 Ca 0.59 -0.47 -0.30 0.00 1.00 0.00 0.00 62.75 63.56 2ctd n ILE 9 Cb 0.55 -0.96 -0.14 0.00 -0.71 0.00 0.00 39.64 38.38 2ctd n ILE 9 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2ctd s ARG 10 N -7.22 1.27 -0.30 0.38 0.52 -1.26 -5.06 118.95 107.28 2ctd s ARG 10 Ca 0.01 -1.81 -0.12 0.00 -0.52 0.00 0.00 55.73 53.29 2ctd s ARG 10 Cb -0.01 -2.58 0.14 0.00 0.52 0.00 0.00 34.95 33.03 2ctd s ARG 10 CO 0.96 -1.06 0.79 0.21 0.02 0.00 0.00 175.30 176.23 2ctd s LYS 11 N 0.73 0.46 -0.22 3.54 2.20 -1.26 -5.16 119.74 120.03 2ctd s LYS 11 Ca 0.14 1.15 -0.12 0.00 -0.36 0.00 0.00 55.97 56.78 2ctd s LYS 11 Cb -0.22 0.69 0.08 0.00 -1.51 0.00 0.00 37.83 36.87 2ctd s LYS 11 CO -0.09 -0.16 0.53 -1.21 -0.36 0.00 0.00 175.35 174.07 2ctd s GLU 12 N 2.69 0.52 0.95 4.03 2.02 -1.26 -5.17 118.70 122.48 2ctd s GLU 12 Ca -0.05 1.03 -0.12 0.00 0.02 0.00 0.00 54.97 55.85 2ctd s GLU 12 Cb -0.09 0.14 0.16 0.00 0.10 0.00 0.00 34.13 34.43 2ctd s GLU 12 CO -0.18 -0.17 1.09 -1.25 0.02 0.00 0.00 175.26 174.77 2ctd s PRO 13 N 1.72 0.85 1.19 0.39 0.04 -1.26 -5.05 135.00 132.88 2ctd s PRO 13 Ca -0.09 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 61.43 2ctd s PRO 13 Cb -0.08 -1.77 0.30 0.00 0.04 0.00 0.00 34.50 32.99 2ctd s PRO 13 CO -0.16 -2.48 1.06 -0.35 0.04 0.00 0.00 177.00 175.10 2ctd n PRO 14 N -4.03 -3.09 -0.37 0.56 -0.04 -1.26 -4.86 135.00 121.91 2ctd n PRO 14 Ca 0.06 -1.69 0.30 0.00 -0.04 0.00 0.00 63.50 62.13 2ctd n PRO 14 Cb 0.56 -1.58 0.56 0.00 -0.04 0.00 0.00 33.50 33.00 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 -2.70 0.19 -4.17 0.52 3.04 -2.08 -3.40 116.25 107.65 2ctd h VAL 15 Ca -0.40 -0.06 -0.50 0.00 -1.01 0.00 0.00 66.70 64.73 2ctd h VAL 15 Cb 1.22 -0.00 0.16 0.00 -2.01 0.00 0.00 31.29 30.66 2ctd h VAL 15 CO 0.26 0.03 0.25 -0.31 -1.01 0.00 0.00 177.57 176.79 2ctd s TYR 16 N -5.49 2.12 0.77 3.17 1.51 -1.26 -5.00 117.35 113.17 2ctd s TYR 16 Ca -0.09 1.55 -0.11 0.00 -1.01 0.00 0.00 57.07 57.41 2ctd s TYR 16 Cb 0.30 -3.17 0.06 0.00 -0.11 0.00 0.00 41.96 39.04 2ctd s TYR 16 CO 0.80 -2.41 1.10 0.00 -1.11 0.00 0.00 175.55 173.93 2ctd s ALA 17 N -2.79 2.20 -1.21 3.71 0.00 -1.26 -4.93 121.76 117.48 2ctd s ALA 17 Ca 0.64 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 2ctd s ALA 17 Cb -0.20 -3.30 0.12 0.00 0.00 0.00 0.00 23.12 19.74 2ctd s ALA 17 CO 0.57 -1.81 1.53 0.00 0.00 0.00 0.00 175.76 176.06 2ctd s ALA 18 N -2.79 3.56 0.00 0.00 0.00 -1.26 -3.97 121.76 117.30 2ctd s ALA 18 Ca 0.63 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 49.55 2ctd s ALA 18 Cb -0.18 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2ctd s ALA 18 CO 0.54 -3.08 0.00 0.41 0.00 0.00 0.00 175.76 173.63 2ctd n GLY 19 N 4.99 0.63 3.43 0.00 0.00 -1.26 -5.14 105.19 107.84 2ctd n GLY 19 Ca 0.40 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.89 2.73 0.22 1.61 0.01 -1.25 -5.05 113.70 111.08 2ctd s SER 20 Ca 0.00 -1.22 -0.07 0.00 1.31 0.00 0.00 55.95 55.97 2ctd s SER 20 Cb 0.00 -0.16 0.19 0.00 0.21 0.00 0.00 66.02 66.26 2ctd s SER 20 CO 0.00 -0.38 1.82 -0.07 0.41 0.00 0.00 173.24 175.01 2ctd h LEU 21 N 2.25 1.12 -0.83 2.44 3.38 -2.01 -3.14 115.31 118.51 2ctd h LEU 21 Ca -0.40 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.51 2ctd h LEU 21 Cb 1.23 -0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 2ctd h LEU 21 CO 0.68 0.94 -0.47 -0.62 0.09 0.00 0.00 178.44 179.07 2ctd n GLU 22 N -4.30 -0.34 -0.18 1.13 1.02 -1.26 -0.17 120.64 116.55 2ctd n GLU 22 Ca 0.08 1.26 -0.09 0.00 -0.02 0.00 0.00 57.16 58.39 2ctd n GLU 22 Cb 0.14 -1.86 -0.05 0.00 -0.02 0.00 0.00 31.44 29.66 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 -0.26 -0.01 3.49 4.57 -1.88 0.12 114.58 120.60 2ctd h GLU 23 Ca 0.16 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 2ctd h GLU 23 Cb 0.37 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 2ctd h GLU 23 CO -0.79 -0.18 -0.34 1.96 -1.18 0.00 0.00 179.01 178.48 2ctd h GLN 24 N -0.27 -0.41 -0.76 1.92 4.20 -0.69 -1.17 115.11 117.94 2ctd h GLN 24 Ca 0.16 0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.07 2ctd h GLN 24 Cb 0.57 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.31 2ctd h GLN 24 CO -0.65 -0.27 0.04 -1.49 -0.67 0.00 0.00 178.83 175.80 2ctd h TRP 25 N -0.42 0.02 -0.38 2.96 6.55 -0.74 0.16 115.95 124.09 2ctd h TRP 25 Ca 0.01 0.05 0.08 0.00 0.95 0.00 0.00 58.89 59.98 2ctd h TRP 25 Cb 0.46 0.11 -0.07 0.00 -0.86 0.00 0.00 29.16 28.80 2ctd h TRP 25 CO -0.47 -0.22 -0.09 -0.92 -1.05 0.00 0.00 178.44 175.69 2ctd h TYR 26 N 0.13 -0.19 -0.27 0.49 3.20 0.01 -2.21 116.97 118.13 2ctd h TYR 26 Ca 0.42 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.39 2ctd h TYR 26 Cb 0.75 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 39.09 2ctd h TYR 26 CO -0.39 -0.16 -0.22 -0.07 -1.64 0.00 0.00 178.16 175.69 2ctd h LEU 27 N 0.00 -0.70 -1.33 2.82 3.38 0.21 0.27 115.31 119.96 2ctd h LEU 27 Ca 0.18 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.34 2ctd h LEU 27 Cb 0.27 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2ctd h LEU 27 CO -0.38 -0.25 0.64 -0.08 0.09 0.00 0.00 178.44 178.45 2ctd h GLU 28 N -0.21 0.00 0.02 1.13 4.57 -1.01 0.29 114.58 119.38 2ctd h GLU 28 Ca 0.15 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.02 2ctd h GLU 28 Cb 0.43 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 2ctd h GLU 28 CO -0.39 0.00 -1.69 -0.89 -1.18 0.00 0.00 179.01 174.86 2ctd n ILE 29 N -2.96 1.58 0.31 2.32 5.41 0.80 -2.34 119.36 124.48 2ctd n ILE 29 Ca 0.03 -0.23 0.13 0.00 1.00 0.00 0.00 62.75 63.68 2ctd n ILE 29 Cb 0.73 -1.93 0.59 0.00 -0.71 0.00 0.00 39.64 38.32 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 -0.76 0.00 0.00 1.39 -1.51 0.49 1.37 116.25 117.23 2ctd h VAL 30 Ca -0.44 -0.18 -0.42 0.00 -1.23 0.00 0.00 66.70 64.43 2ctd h VAL 30 Cb 1.52 0.87 -0.06 0.00 -2.13 0.00 0.00 31.29 31.49 2ctd h VAL 30 CO -0.19 0.00 -2.38 -0.67 -1.23 0.00 0.00 177.57 173.10 2ctd n ASP 31 N -2.39 1.95 -0.11 4.19 -0.08 0.80 -4.77 116.55 116.14 2ctd n ASP 31 Ca 0.01 0.35 -0.23 0.00 -1.51 0.00 0.00 54.79 53.40 2ctd n ASP 31 Cb 0.17 -0.82 -0.12 0.00 2.34 0.00 0.00 41.12 42.69 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 -4.28 0.63 0.00 -0.67 4.76 -0.99 -5.03 118.16 112.60 2ctd n LYS 32 Ca -0.51 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 2ctd n LYS 32 Cb 0.85 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 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 1.76 1.15 3.66 0.72 0.00 0.47 -4.99 105.19 107.95 2ctd n GLY 33 Ca -0.45 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.82 -0.20 0.08 1.61 1.04 -1.23 -4.80 113.70 109.38 2ctd s SER 34 Ca 0.00 -0.69 0.09 0.00 0.48 0.00 0.00 55.95 55.83 2ctd s SER 34 Cb 0.00 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 2ctd s SER 34 CO 0.00 -1.18 -0.21 0.54 0.98 0.00 0.00 173.24 173.36 2ctd s VAL 35 N -3.94 2.58 0.29 5.02 0.11 -0.80 -3.48 120.40 120.18 2ctd s VAL 35 Ca 0.15 -1.45 0.07 0.00 -2.93 0.00 0.00 61.98 57.81 2ctd s VAL 35 Cb -0.03 -2.12 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 2ctd s VAL 35 CO 0.05 0.21 0.34 -0.55 -3.33 0.00 0.00 175.10 171.82 2ctd s SER 36 N -1.76 5.77 -0.35 3.54 0.15 -1.26 -0.21 113.70 119.58 2ctd s SER 36 Ca 0.15 -0.23 -0.29 0.00 0.70 0.00 0.00 55.95 56.29 2ctd s SER 36 Cb -0.10 -1.34 -0.00 0.00 -1.71 0.00 0.00 66.02 62.86 2ctd s SER 36 CO 0.06 -0.24 1.45 0.00 1.20 0.00 0.00 173.24 175.72 2ctd n PRO 38 N 7.87 0.30 -0.11 0.00 -0.04 -1.26 0.21 135.00 141.96 2ctd n PRO 38 Ca 0.17 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 2ctd n PRO 38 Cb 0.47 -1.50 -0.09 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 -1.20 1.52 -0.03 0.52 -1.04 -1.26 -4.74 114.28 108.05 2ctd n THR 39 Ca 0.08 -0.12 -0.01 0.00 -2.04 0.00 0.00 64.05 61.96 2ctd n THR 39 Cb 0.10 -2.04 -0.07 0.00 -1.82 0.00 0.00 70.33 66.50 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 -2.13 -7.13 -0.07 0.00 6.02 0.56 -4.89 117.38 109.74 2ctd n GLN 41 Ca -0.09 0.79 -0.10 0.00 -0.01 0.00 0.00 57.00 57.59 2ctd n GLN 41 Cb 0.58 -5.80 -0.06 0.00 1.02 0.00 0.00 30.24 25.98 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 -4.76 1.74 -2.67 -1.58 0.00 -1.26 -4.87 120.51 107.10 2ctd n ALA 42 Ca 0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.65 2ctd n ALA 42 Cb 0.56 0.19 -0.14 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.28 0.83 0.34 0.00 -7.23 -1.26 -5.00 120.40 105.81 2ctd s VAL 43 Ca -0.19 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2ctd s VAL 43 Cb 0.05 -0.73 0.01 0.00 0.56 0.00 0.00 36.38 36.28 2ctd s VAL 43 CO 0.32 0.11 0.12 0.61 -0.31 0.00 0.00 175.10 175.95 2ctd n GLY 44 N 2.49 3.38 2.96 2.32 0.00 -1.26 -2.22 105.19 112.85 2ctd n GLY 44 Ca -0.15 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.48 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 -3.32 0.25 0.20 1.61 1.81 0.71 -4.95 118.95 115.25 2ctd s ARG 45 Ca 0.09 -0.46 -0.23 0.00 -1.72 0.00 0.00 55.73 53.41 2ctd s ARG 45 Cb -0.01 0.09 0.12 0.00 -0.45 0.00 0.00 34.95 34.70 2ctd s ARG 45 CO 0.06 -0.04 1.55 0.87 -0.68 0.00 0.00 175.30 177.06 2ctd h LYS 46 N 4.98 -0.04 -5.08 3.54 1.57 -1.88 -2.14 116.57 117.52 2ctd h LYS 46 Ca -0.30 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.03 2ctd h LYS 46 Cb 1.21 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.39 2ctd h LYS 46 CO 0.43 -0.03 -0.59 0.95 -0.57 0.00 0.00 179.45 179.64 2ctd s THR 47 N -5.81 0.87 0.15 -0.16 -4.23 -1.26 -4.21 115.64 101.00 2ctd s THR 47 Ca -0.13 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.14 2ctd s THR 47 Cb 0.16 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.37 2ctd s THR 47 CO 0.68 0.00 1.61 0.40 -0.54 0.00 0.00 174.62 176.77 2ctd h ILE 48 N 2.14 0.30 -0.86 2.99 2.04 -1.92 -1.66 117.51 120.54 2ctd h ILE 48 Ca -0.39 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.64 2ctd h ILE 48 Cb 1.25 0.30 -0.16 0.00 -0.74 0.00 0.00 36.82 37.47 2ctd h ILE 48 CO 0.64 0.00 -0.23 -0.62 0.00 0.00 0.00 178.15 177.94 2ctd n GLU 49 N -5.40 -0.09 -0.19 2.37 1.02 -1.26 0.10 120.64 117.19 2ctd n GLU 49 Ca -0.01 1.34 -0.09 0.00 -0.02 0.00 0.00 57.16 58.38 2ctd n GLU 49 Cb 0.32 -2.00 0.02 0.00 -0.02 0.00 0.00 31.44 29.76 2ctd n GLU 49 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2ctd h GLY 50 N 0.00 0.94 0.92 0.62 0.00 -1.69 -3.15 103.07 100.72 2ctd h GLY 50 Ca 0.40 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2ctd h GLY 50 CO -0.88 0.56 -0.07 -2.00 0.00 0.00 0.00 176.54 174.15 2ctd h LEU 51 N 0.77 -0.16 -0.93 3.11 5.85 0.11 -2.83 115.31 121.24 2ctd h LEU 51 Ca 0.17 -0.06 0.26 0.00 0.84 0.00 0.00 57.88 59.08 2ctd h LEU 51 Cb 0.36 0.04 -0.16 0.00 0.37 0.00 0.00 40.66 41.26 2ctd h LEU 51 CO 0.00 -0.04 0.12 0.11 -0.34 0.00 0.00 178.44 178.29 2ctd h LYS 52 N -0.26 0.08 -0.09 1.25 1.57 -0.59 1.54 116.57 120.06 2ctd h LYS 52 Ca -0.02 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2ctd h LYS 52 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2ctd h LYS 52 CO 0.03 0.05 -0.19 0.87 -0.57 0.00 0.00 179.45 179.64 2ctd h LYS 53 N 0.08 0.14 0.02 3.15 1.79 -1.47 0.23 116.57 120.51 2ctd h LYS 53 Ca 0.58 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 59.01 2ctd h LYS 53 Cb 1.19 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2ctd h LYS 53 CO -0.80 0.34 -0.01 1.25 -1.08 0.00 0.00 179.45 179.15 2ctd h HIS 54 N 0.14 -0.02 0.00 -1.35 2.76 0.22 -3.25 115.15 113.64 2ctd h HIS 54 Ca 0.03 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 2ctd h HIS 54 Cb 0.42 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2ctd h HIS 54 CO 0.00 0.71 -0.30 0.00 -1.30 0.00 0.00 177.93 177.04 2ctd h MET 55 N -0.82 0.00 -0.93 5.26 -0.00 -0.47 0.62 114.93 118.59 2ctd h MET 55 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.73 2ctd h MET 55 Cb 0.75 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.29 2ctd h MET 55 CO 0.00 0.30 0.61 0.93 -0.00 0.00 0.00 176.91 178.76 2ctd h GLU 56 N 0.00 1.14 -0.02 -0.10 4.39 -0.60 -0.38 114.58 119.01 2ctd h GLU 56 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2ctd h GLU 56 Cb 0.61 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2ctd h GLU 56 CO 0.04 0.75 -0.19 0.09 -1.16 0.00 0.00 179.01 178.54 2ctd n ASN 57 N -4.44 2.18 -0.72 1.42 3.02 -1.07 -4.27 115.26 111.39 2ctd n ASN 57 Ca 0.12 -1.59 0.09 0.00 -0.03 0.00 0.00 54.58 53.17 2ctd n ASN 57 Cb 0.09 0.24 0.23 0.00 -0.61 0.00 0.00 39.78 39.73 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ctd s LYS 59 N -2.84 -1.63 -0.04 0.00 0.00 -0.21 -4.75 119.74 110.27 2ctd s LYS 59 Ca 0.40 0.46 0.01 0.00 0.00 0.00 0.00 55.97 56.84 2ctd s LYS 59 Cb 0.33 -1.50 -0.03 0.00 0.00 0.00 0.00 37.83 36.62 2ctd s LYS 59 CO 0.08 -4.10 -0.05 1.14 0.00 0.00 0.00 175.35 172.42 2ctd s GLN 60 N -4.80 2.72 0.26 1.78 0.00 -1.26 -5.07 119.66 113.28 2ctd s GLN 60 Ca 0.68 -0.60 -0.29 0.00 -0.00 0.00 0.00 55.36 55.16 2ctd s GLN 60 Cb -0.19 -2.60 -0.15 0.00 0.00 0.00 0.00 33.01 30.08 2ctd s GLN 60 CO 0.61 0.64 1.00 -1.91 0.00 0.00 0.00 175.29 175.63 2ctd n GLU 61 N 1.86 1.20 -4.60 9.60 2.13 -1.26 -4.99 120.64 124.58 2ctd n GLU 61 Ca -0.17 0.42 -0.27 0.00 0.66 0.00 0.00 57.16 57.80 2ctd n GLU 61 Cb 0.53 -1.78 -0.11 0.00 0.27 0.00 0.00 31.44 30.35 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 -1.28 1.92 0.45 5.31 -1.94 -1.26 -5.00 119.30 117.51 2ctd s MET 62 Ca 0.62 -2.07 0.03 0.00 -1.71 0.00 0.00 55.69 52.56 2ctd s MET 62 Cb -0.75 -1.65 -0.02 0.00 2.01 0.00 0.00 34.83 34.42 2ctd s MET 62 CO 0.58 -0.00 0.07 -0.06 -0.01 0.00 0.00 175.02 175.60 2ctd s PHE 63 N -2.69 1.85 -0.30 -0.03 0.08 -1.26 -5.11 117.98 110.52 2ctd s PHE 63 Ca 0.34 -1.11 -0.09 0.00 0.12 0.00 0.00 56.93 56.19 2ctd s PHE 63 Cb 0.08 -1.38 0.15 0.00 -0.57 0.00 0.00 43.02 41.30 2ctd s PHE 63 CO 0.18 -0.04 0.68 0.99 -0.10 0.00 0.00 175.22 176.93 2ctd s THR 64 N -3.05 -0.94 0.94 0.64 2.01 -1.26 -4.24 115.64 109.74 2ctd s THR 64 Ca 0.16 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 2ctd s THR 64 Cb 0.02 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.70 2ctd s THR 64 CO 0.10 0.00 1.14 0.00 -0.69 0.00 0.00 174.62 175.16 2ctd n HIS 66 N -4.33 0.00 0.00 0.00 8.25 -1.26 -3.48 115.22 114.40 2ctd n HIS 66 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2ctd n HIS 66 Cb 0.52 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.65 2ctd n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ctd n HIS 67 N -3.24 0.00 -0.07 4.41 8.25 -1.26 -4.30 115.22 119.01 2ctd n HIS 67 Ca -0.45 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 56.80 2ctd n HIS 67 Cb 0.99 -0.37 -0.12 0.00 1.12 0.00 0.00 29.99 31.60 2ctd n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ctd n GLY 69 N 1.57 1.00 3.87 0.00 0.00 -1.23 -5.04 105.19 105.35 2ctd n GLY 69 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 3.02 -0.27 1.61 2.20 -1.26 -4.71 119.74 120.32 2ctd s LYS 70 Ca 0.00 0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 56.20 2ctd s LYS 70 Cb 0.00 -2.03 0.09 0.00 -1.51 0.00 0.00 37.83 34.38 2ctd s LYS 70 CO 0.00 -0.95 0.09 -0.65 -0.36 0.00 0.00 175.35 173.47 2ctd s GLN 71 N -5.26 0.57 -0.02 4.03 -0.21 -1.26 -2.19 119.66 115.32 2ctd s GLN 71 Ca 0.57 -0.76 0.05 0.00 0.02 0.00 0.00 55.36 55.25 2ctd s GLN 71 Cb -0.12 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.04 2ctd s GLN 71 CO 0.53 -0.90 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.13 2ctd s LEU 72 N 1.80 2.63 0.46 2.90 1.43 -1.26 -5.01 118.68 121.63 2ctd s LEU 72 Ca 0.07 -0.29 0.23 0.00 -1.03 0.00 0.00 54.13 53.10 2ctd s LEU 72 Cb -0.17 -1.53 1.10 0.00 0.03 0.00 0.00 46.19 45.62 2ctd s LEU 72 CO -0.23 0.32 1.93 0.08 0.23 0.00 0.00 176.35 178.67 2ctd h ARG 73 N 5.11 0.00 -6.18 1.70 0.11 -1.95 -3.36 114.38 109.81 2ctd h ARG 73 Ca -0.46 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 58.99 2ctd h ARG 73 Cb 1.15 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.14 2ctd h ARG 73 CO 0.49 0.22 -0.59 0.45 0.10 0.00 0.00 179.97 180.64 2ctd s SER 74 N -6.34 5.55 -0.14 0.08 0.15 -1.26 -4.91 113.70 106.82 2ctd s SER 74 Ca -0.02 -0.02 -0.23 0.00 0.70 0.00 0.00 55.95 56.38 2ctd s SER 74 Cb 0.12 -1.49 -0.25 0.00 -1.71 0.00 0.00 66.02 62.70 2ctd s SER 74 CO 0.63 0.16 0.58 0.25 1.20 0.00 0.00 173.24 176.06 2ctd h LEU 75 N 3.17 0.12 0.06 3.45 5.85 -1.99 -3.29 115.31 122.69 2ctd h LEU 75 Ca -0.47 -0.82 0.01 0.00 0.84 0.00 0.00 57.88 57.45 2ctd h LEU 75 Cb 1.17 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2ctd h LEU 75 CO 0.66 1.31 -0.47 0.00 -0.34 0.00 0.00 178.44 179.60 2ctd h ALA 76 N -0.15 -0.93 -0.83 1.25 0.00 -1.99 0.15 119.26 116.77 2ctd h ALA 76 Ca -0.18 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 54.85 2ctd h ALA 76 Cb 1.31 0.87 -0.13 0.00 0.00 0.00 0.00 17.79 19.84 2ctd h ALA 76 CO -0.04 -1.05 0.22 0.78 0.00 0.00 0.00 179.25 179.17 2ctd h GLY 77 N -0.63 1.24 0.46 0.00 0.00 -2.01 -2.14 103.07 99.99 2ctd h GLY 77 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2ctd h GLY 77 CO -0.28 -0.29 -0.22 1.98 0.00 0.00 0.00 176.54 177.73 2ctd h MET 78 N 0.25 -0.60 -1.18 4.80 -1.53 -1.43 -2.38 114.93 112.87 2ctd h MET 78 Ca 0.50 0.04 0.34 0.00 -3.44 0.00 0.00 59.70 57.14 2ctd h MET 78 Cb 0.94 0.14 -0.05 0.00 -0.55 0.00 0.00 31.60 32.08 2ctd h MET 78 CO -0.59 -0.40 1.21 1.63 0.14 0.00 0.00 176.91 178.90 2ctd n LYS 79 N -4.04 0.01 0.11 0.39 5.02 0.44 0.25 118.16 120.34 2ctd n LYS 79 Ca -0.08 0.99 -0.24 0.00 -2.02 0.00 0.00 58.31 56.96 2ctd n LYS 79 Cb 0.24 -2.42 -0.15 0.00 -0.02 0.00 0.00 35.03 32.67 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 0.87 -0.31 2.13 3.20 -1.16 -3.29 116.97 118.41 2ctd h TYR 80 Ca 0.56 -0.64 0.09 0.00 3.14 0.00 0.00 58.73 61.88 2ctd h TYR 80 Cb 2.98 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 41.20 2ctd h TYR 80 CO 0.00 1.62 0.38 1.12 -1.64 0.00 0.00 178.16 179.64 2ctd h HIS 81 N 0.12 0.00 0.33 -3.82 2.07 0.39 0.11 115.15 114.35 2ctd h HIS 81 Ca -0.30 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.21 2ctd h HIS 81 Cb 2.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.12 2ctd h HIS 81 CO 0.12 0.00 -0.16 0.28 -3.07 0.00 0.00 177.93 175.10 2ctd h VAL 82 N 0.00 0.00 0.00 6.12 2.07 -1.58 0.48 116.25 123.35 2ctd h VAL 82 Ca 0.15 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2ctd h VAL 82 Cb 0.90 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2ctd h VAL 82 CO -0.00 0.00 -0.05 0.24 0.02 0.00 0.00 177.57 177.78 2ctd h MET 83 N -1.03 0.00 0.00 1.57 2.07 -1.54 0.48 114.93 116.48 2ctd h MET 83 Ca -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 2ctd h MET 83 Cb 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.07 2ctd h MET 83 CO 0.07 0.05 -0.29 0.00 1.07 0.00 0.00 176.91 177.82 2ctd h ALA 84 N 1.95 0.00 0.71 6.32 0.00 -0.86 -2.70 119.26 124.68 2ctd h ALA 84 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2ctd h ALA 84 Cb 0.17 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ctd h ALA 84 CO 0.01 0.29 -0.34 -0.91 0.00 0.00 0.00 179.25 178.29 2ctd h ASN 85 N -0.82 -0.81 -0.11 0.00 -0.26 -0.03 -3.32 115.58 110.23 2ctd h ASN 85 Ca 0.00 0.03 -0.14 0.00 -0.56 0.00 0.00 56.30 55.62 2ctd h ASN 85 Cb 0.29 0.21 0.01 0.00 -1.06 0.00 0.00 38.32 37.76 2ctd h ASN 85 CO 0.00 -0.48 -0.49 0.45 -1.06 0.00 0.00 177.43 175.84 2ctd h HIS 86 N -1.14 0.70 -6.03 1.19 3.86 -0.67 -3.46 115.15 109.60 2ctd h HIS 86 Ca -0.10 -0.31 -0.32 0.00 -1.16 0.00 0.00 60.37 58.49 2ctd h HIS 86 Cb 0.73 -0.11 -0.20 0.00 1.06 0.00 0.00 27.41 28.89 2ctd h HIS 86 CO 0.02 1.08 -0.46 0.27 0.86 0.00 0.00 177.93 179.70 2ctd n ASN 87 N -4.24 -1.39 -3.13 2.45 0.23 0.13 -4.57 115.26 104.75 2ctd n ASN 87 Ca -0.08 -0.40 -0.42 0.00 -0.53 0.00 0.00 54.58 53.15 2ctd n ASN 87 Cb 0.59 -1.27 -0.09 0.00 -2.08 0.00 0.00 39.78 36.93 2ctd n ASN 87 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2ctd n SER 88 N -1.93 0.50 -4.72 0.53 3.41 -1.26 -4.76 113.62 105.40 2ctd n SER 88 Ca 0.06 0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 2ctd n SER 88 Cb 0.46 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 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 5.77 3.99 -0.08 1.04 4.32 -1.26 -4.92 117.00 125.87 2ctd n LEU 89 Ca 0.41 1.08 -0.13 0.00 -0.02 0.00 0.00 56.01 57.35 2ctd n LEU 89 Cb -0.02 -1.57 -0.05 0.00 -1.62 0.00 0.00 43.42 40.16 2ctd n LEU 89 CO 0.65 0.14 0.58 1.55 -1.22 0.00 0.00 177.39 179.09 2ctd h PRO 90 N 6.34 0.56 -6.08 3.23 0.13 -1.93 -3.40 132.00 130.85 2ctd h PRO 90 Ca -0.44 -0.30 -0.50 0.00 -0.87 0.00 0.00 66.00 63.90 2ctd h PRO 90 Cb 1.21 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2ctd h PRO 90 CO 0.92 0.89 1.18 0.45 -0.23 0.00 0.00 178.00 181.21 2ctd s SER 91 N -6.38 5.82 0.00 1.44 0.15 -1.26 -4.79 113.70 108.68 2ctd s SER 91 Ca -0.13 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2ctd s SER 91 Cb 0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2ctd s SER 91 CO 0.80 -2.07 0.00 0.61 1.20 0.00 0.00 173.24 173.78 2ctd n GLY 92 N 6.10 1.07 3.63 9.45 0.00 -1.26 -5.10 105.19 119.08 2ctd n GLY 92 Ca 0.22 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.09 -0.53 0.49 1.61 0.04 -1.26 -5.00 135.00 129.26 2ctd s PRO 93 Ca 0.00 0.19 -0.18 0.00 0.04 0.00 0.00 61.00 61.05 2ctd s PRO 93 Cb 0.00 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.80 2ctd s PRO 93 CO 0.00 -3.30 0.99 -1.12 0.04 0.00 0.00 177.00 173.61 2ctd s SER 94 N -3.68 6.60 -0.01 6.66 0.01 -1.26 -4.86 113.70 117.16 2ctd s SER 94 Ca 0.68 1.68 0.01 0.00 1.31 0.00 0.00 55.95 59.64 2ctd s SER 94 Cb -0.14 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2ctd s SER 94 CO 0.57 -0.60 0.02 -0.55 0.41 0.00 0.00 173.24 173.08 2ctd s SER 95 N -2.60 5.24 0.00 2.44 0.15 -1.26 -5.14 113.70 112.53 2ctd s SER 95 Ca 0.62 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2ctd s SER 95 Cb -0.11 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 2ctd s SER 95 CO 0.24 0.28 0.42 0.61 1.20 0.00 0.00 173.24 176.00