#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 -2.38 -4.77 1.61 3.41 -1.26 -4.86 113.62 105.38 2ctd n SER 2 Ca 0.00 -1.07 -0.40 0.00 -0.26 0.00 0.00 58.87 57.14 2ctd n SER 2 Cb 0.00 -2.52 -0.02 0.00 -0.26 0.00 0.00 64.21 61.41 2ctd n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ctd s SER 3 N -3.50 6.69 -0.38 4.04 0.15 -1.26 -4.85 113.70 114.59 2ctd s SER 3 Ca 0.61 2.65 -0.41 0.00 0.70 0.00 0.00 55.95 59.51 2ctd s SER 3 Cb -0.34 -2.64 -0.16 0.00 -1.71 0.00 0.00 66.02 61.17 2ctd s SER 3 CO 0.95 -0.59 1.93 0.61 1.20 0.00 0.00 173.24 177.34 2ctd n GLY 4 N 0.77 0.45 3.72 9.45 0.00 -1.26 -4.86 105.19 113.47 2ctd n GLY 4 Ca 0.01 0.99 -0.42 0.00 0.00 0.00 0.00 46.02 46.60 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 5.03 6.91 0.18 1.61 0.15 -1.26 -5.01 113.70 121.31 2ctd s SER 5 Ca 1.07 2.28 -0.17 0.00 0.70 0.00 0.00 55.95 59.83 2ctd s SER 5 Cb -1.17 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 60.48 2ctd s SER 5 CO 0.64 -0.57 0.63 -0.44 1.20 0.00 0.00 173.24 174.70 2ctd s SER 6 N 0.83 6.94 0.00 5.45 0.01 -1.26 -5.00 113.70 120.68 2ctd s SER 6 Ca 0.61 1.24 0.00 0.00 1.31 0.00 0.00 55.95 59.11 2ctd s SER 6 Cb -0.35 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2ctd s SER 6 CO 0.32 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.66 2ctd n GLY 7 N 0.80 -1.92 2.76 3.44 0.00 -1.26 -5.15 105.19 103.86 2ctd n GLY 7 Ca -0.04 0.89 -0.24 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 0.62 1.09 1.61 6.06 -1.26 -5.15 118.95 121.93 2ctd s ARG 8 Ca 0.00 0.00 -0.16 0.00 -2.50 0.00 0.00 55.73 53.07 2ctd s ARG 8 Cb 0.00 -1.21 0.24 0.00 0.06 0.00 0.00 34.95 34.04 2ctd s ARG 8 CO 0.00 -0.37 1.13 0.96 -2.50 0.00 0.00 175.30 174.51 2ctd s ILE 9 N 1.95 1.80 -0.03 4.11 -4.36 -1.26 -5.07 121.20 118.33 2ctd s ILE 9 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 60.65 60.46 2ctd s ILE 9 Cb -0.13 -2.56 -0.00 0.00 1.25 0.00 0.00 42.46 41.01 2ctd s ILE 9 CO -0.06 0.00 -0.13 0.00 0.24 0.00 0.00 174.94 174.99 2ctd s ARG 10 N -5.31 1.29 -0.19 0.37 1.70 -1.26 -5.14 118.95 110.42 2ctd s ARG 10 Ca 0.69 -0.44 -0.28 0.00 -0.47 0.00 0.00 55.73 55.23 2ctd s ARG 10 Cb -0.12 -1.17 0.09 0.00 -0.57 0.00 0.00 34.95 33.17 2ctd s ARG 10 CO 0.56 0.18 0.80 -1.59 -1.08 0.00 0.00 175.30 174.17 2ctd s LYS 11 N 0.08 0.82 0.03 3.89 -2.85 -1.26 -5.18 119.74 115.27 2ctd s LYS 11 Ca -0.02 0.58 -0.04 0.00 -1.00 0.00 0.00 55.97 55.48 2ctd s LYS 11 Cb -0.09 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 36.06 2ctd s LYS 11 CO 0.01 -0.18 0.07 -1.21 0.10 0.00 0.00 175.35 174.14 2ctd s GLU 12 N -0.35 0.53 0.67 1.78 0.41 -1.26 -5.16 118.70 115.32 2ctd s GLU 12 Ca -0.03 -0.73 -0.15 0.00 -0.41 0.00 0.00 54.97 53.65 2ctd s GLU 12 Cb -0.03 0.20 0.00 0.00 -1.78 0.00 0.00 34.13 32.53 2ctd s GLU 12 CO 0.03 -0.12 1.11 -1.25 -0.49 0.00 0.00 175.26 174.53 2ctd s PRO 13 N -2.38 2.76 0.69 0.39 0.04 -1.26 -5.05 135.00 130.18 2ctd s PRO 13 Ca -0.07 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 2ctd s PRO 13 Cb -0.03 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.74 2ctd s PRO 13 CO -0.04 -1.28 0.61 -0.35 0.04 0.00 0.00 177.00 175.98 2ctd n PRO 14 N -2.51 -2.21 0.13 0.56 -0.04 -1.26 -4.84 135.00 124.83 2ctd n PRO 14 Ca 0.10 -0.98 0.08 0.00 -0.04 0.00 0.00 63.50 62.66 2ctd n PRO 14 Cb 0.52 -0.92 0.43 0.00 -0.04 0.00 0.00 33.50 33.49 2ctd n PRO 14 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2ctd n VAL 15 N -3.83 1.05 -3.00 0.52 3.14 -1.26 -4.59 118.33 110.36 2ctd n VAL 15 Ca 0.08 0.70 -0.34 0.00 -2.96 0.00 0.00 64.34 61.82 2ctd n VAL 15 Cb 0.33 -1.70 -0.06 0.00 -1.06 0.00 0.00 33.84 31.35 2ctd n VAL 15 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2ctd s TYR 16 N -3.37 3.48 1.01 1.45 2.02 -1.26 -5.02 117.35 115.64 2ctd s TYR 16 Ca -0.02 1.43 -0.20 0.00 -0.37 0.00 0.00 57.07 57.92 2ctd s TYR 16 Cb 0.05 -2.68 -0.10 0.00 -0.40 0.00 0.00 41.96 38.82 2ctd s TYR 16 CO 0.14 0.13 -0.73 0.00 -1.57 0.00 0.00 175.55 173.53 2ctd n ALA 17 N -0.01 -4.97 -2.72 3.71 0.00 -1.26 -4.79 120.51 110.47 2ctd n ALA 17 Ca 0.03 -0.94 -0.43 0.00 0.00 0.00 0.00 53.44 52.09 2ctd n ALA 17 Cb 0.52 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.18 4.23 0.00 0.00 0.00 -1.26 -4.10 120.51 116.20 2ctd n ALA 18 Ca -0.00 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.24 2ctd n ALA 18 Cb 0.62 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 3.98 0.64 3.53 0.00 0.00 -1.26 -5.14 105.19 106.93 2ctd n GLY 19 Ca 0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.78 3.11 0.35 1.61 0.15 -1.26 -5.03 113.70 111.86 2ctd s SER 20 Ca 0.00 -1.35 0.12 0.00 0.70 0.00 0.00 55.95 55.42 2ctd s SER 20 Cb 0.00 -0.24 0.93 0.00 -1.71 0.00 0.00 66.02 65.00 2ctd s SER 20 CO 0.00 -0.50 1.78 -0.07 1.20 0.00 0.00 173.24 175.65 2ctd h LEU 21 N 1.97 0.60 -0.37 3.45 3.38 -2.01 -1.90 115.31 120.43 2ctd h LEU 21 Ca -0.42 0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.69 2ctd h LEU 21 Cb 1.24 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 2ctd h LEU 21 CO 0.74 0.17 -0.50 -0.33 0.09 0.00 0.00 178.44 178.62 2ctd h GLU 22 N 0.56 -0.38 -0.93 1.13 3.07 -1.95 0.29 114.58 116.38 2ctd h GLU 22 Ca 0.58 0.03 0.27 0.00 -0.50 0.00 0.00 59.36 59.73 2ctd h GLU 22 Cb 1.18 0.09 -0.16 0.00 -0.84 0.00 0.00 28.75 29.02 2ctd h GLU 22 CO -0.33 -0.25 0.19 1.49 -1.40 0.00 0.00 179.01 178.71 2ctd h GLU 23 N -0.39 0.11 0.55 2.33 4.81 -1.64 -0.81 114.58 119.53 2ctd h GLU 23 Ca 0.10 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2ctd h GLU 23 Cb 0.60 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.97 2ctd h GLU 23 CO -0.57 0.07 -0.26 1.96 -0.73 0.00 0.00 179.01 179.48 2ctd h GLN 24 N 0.11 -0.71 -0.76 1.92 4.20 -1.03 -3.11 115.11 115.73 2ctd h GLN 24 Ca 0.60 0.05 0.10 0.00 0.06 0.00 0.00 58.65 59.46 2ctd h GLN 24 Cb 1.28 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 29.10 2ctd h GLN 24 CO -0.76 -0.47 -0.48 -1.49 -0.67 0.00 0.00 178.83 174.95 2ctd h TRP 25 N -0.76 -1.47 -0.90 2.96 6.55 -0.53 0.24 115.95 122.05 2ctd h TRP 25 Ca -0.08 0.10 0.28 0.00 0.95 0.00 0.00 58.89 60.15 2ctd h TRP 25 Cb 0.57 0.75 -0.17 0.00 -0.86 0.00 0.00 29.16 29.45 2ctd h TRP 25 CO 0.10 -0.41 0.15 0.98 -1.05 0.00 0.00 178.44 178.21 2ctd n TYR 26 N -5.37 0.71 -0.05 0.49 9.36 -0.41 0.11 117.16 121.99 2ctd n TYR 26 Ca 0.03 1.07 -0.08 0.00 3.32 0.00 0.00 57.90 62.24 2ctd n TYR 26 Cb 0.33 -1.26 -0.02 0.00 -0.63 0.00 0.00 39.34 37.77 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 -0.06 -1.99 2.98 3.38 -0.45 0.04 115.31 119.21 2ctd h LEU 27 Ca 0.61 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.69 2ctd h LEU 27 Cb 1.38 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2ctd h LEU 27 CO -0.80 -0.00 0.39 -0.33 0.09 0.00 0.00 178.44 177.79 2ctd h GLU 28 N 0.09 0.00 0.04 1.13 4.39 0.91 0.93 114.58 122.06 2ctd h GLU 28 Ca 0.11 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.49 2ctd h GLU 28 Cb 0.13 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 2ctd h GLU 28 CO -0.17 0.00 -1.82 -0.89 -1.16 0.00 0.00 179.01 174.98 2ctd n ILE 29 N -3.40 1.66 0.54 3.13 5.41 -0.16 -0.85 119.36 125.68 2ctd n ILE 29 Ca 0.04 -0.75 0.12 0.00 1.00 0.00 0.00 62.75 63.15 2ctd n ILE 29 Cb 0.52 -1.24 0.23 0.00 -0.71 0.00 0.00 39.64 38.44 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 0.02 0.00 0.00 1.39 -1.51 0.94 -2.44 116.25 114.66 2ctd h VAL 30 Ca -0.33 -0.54 -0.22 0.00 -1.23 0.00 0.00 66.70 64.37 2ctd h VAL 30 Cb 2.03 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 32.41 2ctd h VAL 30 CO 0.08 0.00 -1.66 -0.67 -1.23 0.00 0.00 177.57 174.09 2ctd n ASP 31 N -2.24 1.34 -0.02 4.19 2.03 0.29 -4.80 116.55 117.35 2ctd n ASP 31 Ca 0.04 0.23 -0.22 0.00 0.52 0.00 0.00 54.79 55.36 2ctd n ASP 31 Cb 0.45 -0.54 -0.13 0.00 -0.72 0.00 0.00 41.12 40.18 2ctd n ASP 31 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ctd h LYS 32 N -0.63 0.19 0.00 -0.67 1.79 -1.37 -3.49 116.57 112.39 2ctd h LYS 32 Ca -0.34 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 57.80 2ctd h LYS 32 Cb 1.21 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2ctd h LYS 32 CO -0.21 1.16 0.00 0.41 -1.08 0.00 0.00 179.45 179.73 2ctd n GLY 33 N 1.80 1.12 3.62 3.86 0.00 -0.03 -4.97 105.19 110.58 2ctd n GLY 33 Ca -0.31 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.77 -0.53 -0.08 1.61 1.04 -0.99 -4.57 113.70 109.41 2ctd s SER 34 Ca 0.00 0.95 -0.12 0.00 0.48 0.00 0.00 55.95 57.26 2ctd s SER 34 Cb 0.00 0.94 -0.05 0.00 0.10 0.00 0.00 66.02 67.01 2ctd s SER 34 CO 0.00 -0.22 0.28 0.54 0.98 0.00 0.00 173.24 174.81 2ctd s VAL 35 N 0.02 5.27 0.20 5.02 0.11 -0.41 -4.24 120.40 126.38 2ctd s VAL 35 Ca 0.01 0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 59.58 2ctd s VAL 35 Cb -0.04 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2ctd s VAL 35 CO -0.03 0.55 0.40 -0.55 -3.33 0.00 0.00 175.10 172.14 2ctd s SER 36 N -0.68 6.39 -0.12 3.54 0.15 -1.26 -2.15 113.70 119.56 2ctd s SER 36 Ca 0.19 0.42 -0.34 0.00 0.70 0.00 0.00 55.95 56.92 2ctd s SER 36 Cb -0.14 -2.02 -0.12 0.00 -1.71 0.00 0.00 66.02 62.03 2ctd s SER 36 CO 0.07 -0.04 1.90 0.00 1.20 0.00 0.00 173.24 176.38 2ctd n PRO 38 N 6.75 0.49 -0.00 0.00 -0.04 -1.26 0.80 135.00 141.73 2ctd n PRO 38 Ca 0.24 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 2ctd n PRO 38 Cb 0.29 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.97 1.34 0.04 0.52 -1.04 -1.26 -4.80 114.28 108.11 2ctd n THR 39 Ca 0.11 0.30 0.05 0.00 -2.04 0.00 0.00 64.05 62.48 2ctd n THR 39 Cb 0.05 -1.88 -0.08 0.00 -1.82 0.00 0.00 70.33 66.60 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 -2.68 -3.24 0.00 0.00 6.02 0.24 -4.81 117.38 112.91 2ctd n GLN 41 Ca -0.07 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2ctd n GLN 41 Cb 0.71 -4.84 0.00 0.00 1.02 0.00 0.00 30.24 27.13 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 -4.42 1.88 -2.88 -1.58 0.00 -1.26 -4.84 120.51 107.41 2ctd n ALA 42 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 2ctd n ALA 42 Cb 0.57 0.27 -0.13 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.82 0.17 0.00 0.00 -7.23 -1.26 -4.97 120.40 105.29 2ctd s VAL 43 Ca 0.00 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2ctd s VAL 43 Cb 0.00 -0.22 0.00 0.00 0.56 0.00 0.00 36.38 36.72 2ctd s VAL 43 CO 0.00 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2ctd n GLY 44 N 2.40 4.41 1.96 2.32 0.00 -1.26 -2.01 105.19 113.01 2ctd n GLY 44 Ca -0.17 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 2ctd n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctd n ARG 45 N 0.00 0.47 -0.82 1.61 1.74 -0.92 -4.97 116.66 113.77 2ctd n ARG 45 Ca 0.00 -1.48 -0.16 0.00 -0.77 0.00 0.00 57.85 55.44 2ctd n ARG 45 Cb 0.00 1.53 0.10 0.00 -1.02 0.00 0.00 32.46 33.07 2ctd n ARG 45 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ctd n LYS 46 N -0.32 1.84 -3.97 5.56 5.02 -1.26 -1.29 118.16 123.74 2ctd n LYS 46 Ca -0.01 -1.93 0.02 0.00 -2.02 0.00 0.00 58.31 54.36 2ctd n LYS 46 Cb 0.33 -1.76 0.01 0.00 -0.02 0.00 0.00 35.03 33.60 2ctd n LYS 46 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2ctd s THR 47 N -2.27 0.00 -1.03 -0.18 -1.32 -1.26 -4.87 115.64 104.72 2ctd s THR 47 Ca 0.37 -0.25 0.18 0.00 -1.21 0.00 0.00 61.69 60.78 2ctd s THR 47 Cb 0.31 -2.96 -0.16 0.00 -1.51 0.00 0.00 72.50 68.17 2ctd s THR 47 CO 0.05 0.00 0.81 -0.38 -2.21 0.00 0.00 174.62 172.89 2ctd n ILE 48 N -0.87 0.00 -0.07 5.08 5.41 -1.26 -4.08 119.36 123.57 2ctd n ILE 48 Ca 0.03 -0.11 -0.14 0.00 1.00 0.00 0.00 62.75 63.52 2ctd n ILE 48 Cb 0.59 1.04 -0.13 0.00 -0.71 0.00 0.00 39.64 40.43 2ctd n ILE 48 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2ctd h GLU 49 N 0.40 0.00 0.00 0.38 4.81 -2.00 -2.63 114.58 115.55 2ctd h GLU 49 Ca 0.00 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2ctd h GLU 49 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2ctd h GLU 49 CO 0.00 1.00 -0.36 0.78 -0.73 0.00 0.00 179.01 179.70 2ctd h GLY 50 N -1.00 0.00 0.19 1.92 0.00 -1.98 -3.23 103.07 98.97 2ctd h GLY 50 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ctd h GLY 50 CO -0.00 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.53 2ctd h LEU 51 N 0.00 -0.02 -1.37 3.11 5.85 -1.71 -3.24 115.31 117.93 2ctd h LEU 51 Ca -0.00 -0.74 0.39 0.00 0.84 0.00 0.00 57.88 58.36 2ctd h LEU 51 Cb 0.78 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.69 2ctd h LEU 51 CO 0.05 0.76 0.78 0.11 -0.34 0.00 0.00 178.44 179.80 2ctd h LYS 52 N -0.83 0.16 -0.10 1.25 1.57 -1.48 1.58 116.57 118.72 2ctd h LYS 52 Ca -0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2ctd h LYS 52 Cb 0.76 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2ctd h LYS 52 CO 0.00 0.11 -0.49 -0.22 -0.57 0.00 0.00 179.45 178.28 2ctd h LYS 53 N 0.17 0.27 0.00 3.15 3.11 -1.61 0.92 116.57 122.58 2ctd h LYS 53 Ca 0.76 -0.15 -0.02 0.00 -2.81 0.00 0.00 60.65 58.43 2ctd h LYS 53 Cb 2.26 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 33.49 2ctd h LYS 53 CO -0.40 0.71 -0.11 1.25 -2.81 0.00 0.00 179.45 178.08 2ctd h HIS 54 N 0.22 0.00 -0.15 1.91 2.76 0.20 -3.34 115.15 116.75 2ctd h HIS 54 Ca 0.01 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 2ctd h HIS 54 Cb 0.95 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 2ctd h HIS 54 CO 0.02 1.04 -0.21 0.00 -1.30 0.00 0.00 177.93 177.48 2ctd h MET 55 N -1.00 0.26 -0.65 5.26 -0.00 -0.42 -1.47 114.93 116.91 2ctd h MET 55 Ca -0.03 -0.08 0.12 0.00 -0.00 0.00 0.00 59.70 59.72 2ctd h MET 55 Cb 1.02 -0.03 -0.12 0.00 -0.00 0.00 0.00 31.60 32.47 2ctd h MET 55 CO -0.02 0.46 -0.25 0.93 -0.00 0.00 0.00 176.91 178.03 2ctd h GLU 56 N 0.24 -0.08 0.00 -0.10 4.39 -0.93 0.67 114.58 118.78 2ctd h GLU 56 Ca 0.04 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 2ctd h GLU 56 Cb 0.51 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2ctd h GLU 56 CO 0.03 -0.05 -0.96 -0.91 -1.16 0.00 0.00 179.01 175.97 2ctd h ASN 57 N -0.08 0.00 -0.49 1.42 2.35 -1.68 -3.30 115.58 113.79 2ctd h ASN 57 Ca 0.29 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 2ctd h ASN 57 Cb 0.53 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 2ctd h ASN 57 CO -0.71 0.22 0.11 0.00 -1.65 0.00 0.00 177.43 175.41 2ctd n LYS 59 N 0.18 0.11 -4.08 0.00 0.00 0.22 -4.45 118.16 110.14 2ctd n LYS 59 Ca 0.26 0.23 -0.31 0.00 0.00 0.00 0.00 58.31 58.48 2ctd n LYS 59 Cb 1.04 -1.50 -0.16 0.00 0.00 0.00 0.00 35.03 34.41 2ctd n LYS 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2ctd s GLN 60 N -2.67 2.60 -0.26 1.64 0.74 -1.26 -4.96 119.66 115.49 2ctd s GLN 60 Ca 0.08 -0.68 -0.26 0.00 0.05 0.00 0.00 55.36 54.55 2ctd s GLN 60 Cb 0.07 -2.31 0.13 0.00 1.10 0.00 0.00 33.01 32.00 2ctd s GLN 60 CO 0.16 -0.22 1.05 -2.00 -0.55 0.00 0.00 175.29 173.73 2ctd s GLU 61 N 1.39 0.50 0.40 1.67 2.56 -1.26 -5.01 118.70 118.95 2ctd s GLU 61 Ca 0.05 0.48 -0.24 0.00 0.00 0.00 0.00 54.97 55.26 2ctd s GLU 61 Cb -0.13 0.24 -0.12 0.00 2.00 0.00 0.00 34.13 36.12 2ctd s GLU 61 CO -0.12 -0.08 0.75 -1.33 -0.56 0.00 0.00 175.26 173.92 2ctd n MET 62 N 1.88 0.88 -3.62 4.30 2.81 -1.26 -4.89 117.12 117.22 2ctd n MET 62 Ca -0.12 0.32 -0.23 0.00 -1.81 0.00 0.00 57.70 55.85 2ctd n MET 62 Cb 0.56 -1.71 -0.00 0.00 -0.71 0.00 0.00 33.22 31.37 2ctd n MET 62 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2ctd s PHE 63 N -1.35 1.90 -0.30 2.03 0.08 -1.26 -4.90 117.98 114.18 2ctd s PHE 63 Ca 0.63 -0.71 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 2ctd s PHE 63 Cb -0.61 -2.05 0.14 0.00 -0.57 0.00 0.00 43.02 39.93 2ctd s PHE 63 CO 0.57 -0.51 0.78 0.99 -0.10 0.00 0.00 175.22 176.96 2ctd s THR 64 N -2.66 -0.67 0.93 0.64 2.01 -1.26 -4.39 115.64 110.24 2ctd s THR 64 Ca 0.44 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.33 2ctd s THR 64 Cb -0.03 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.63 2ctd s THR 64 CO 0.27 0.00 1.13 0.00 -0.69 0.00 0.00 174.62 175.32 2ctd n HIS 66 N -4.26 0.00 0.20 0.00 8.25 -1.26 -3.54 115.22 114.61 2ctd n HIS 66 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 2ctd n HIS 66 Cb 0.52 -0.66 -0.07 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 -1.01 0.00 4.41 3.86 -2.01 -3.37 115.15 117.03 2ctd h HIS 67 Ca -0.38 0.01 -0.42 0.00 -1.16 0.00 0.00 60.37 58.42 2ctd h HIS 67 Cb 1.62 0.40 -0.07 0.00 1.06 0.00 0.00 27.41 30.41 2ctd h HIS 67 CO 0.02 -0.48 -2.51 0.00 0.86 0.00 0.00 177.93 175.81 2ctd n GLY 69 N 1.83 2.00 3.75 0.00 0.00 -1.23 -5.05 105.19 106.49 2ctd n GLY 69 Ca -0.50 0.00 -0.35 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 -0.58 2.76 -0.30 1.61 2.20 -1.26 -4.64 119.74 119.53 2ctd s LYS 70 Ca 0.00 1.70 -0.01 0.00 -0.36 0.00 0.00 55.97 57.30 2ctd s LYS 70 Cb 0.00 -1.92 0.10 0.00 -1.51 0.00 0.00 37.83 34.50 2ctd s LYS 70 CO 0.00 -1.35 0.09 -0.65 -0.36 0.00 0.00 175.35 173.09 2ctd s GLN 71 N -3.63 0.66 0.04 4.03 -0.21 -1.26 -1.75 119.66 117.53 2ctd s GLN 71 Ca 0.74 -0.95 0.07 0.00 0.02 0.00 0.00 55.36 55.24 2ctd s GLN 71 Cb -0.27 -1.90 -0.02 0.00 1.00 0.00 0.00 33.01 31.81 2ctd s GLN 71 CO 0.37 -0.96 -0.19 -0.51 -2.12 0.00 0.00 175.29 171.88 2ctd s LEU 72 N 1.69 2.15 0.05 2.90 1.43 -1.26 -5.05 118.68 120.60 2ctd s LEU 72 Ca 0.09 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 2ctd s LEU 72 Cb -0.17 -0.91 -0.16 0.00 0.03 0.00 0.00 46.19 44.97 2ctd s LEU 72 CO -0.25 0.15 1.27 0.03 0.23 0.00 0.00 176.35 177.78 2ctd h ARG 73 N 4.98 0.56 -5.84 1.70 -0.00 -2.00 -3.39 114.38 110.39 2ctd h ARG 73 Ca -0.41 -0.42 -0.59 0.00 -0.50 0.00 0.00 59.98 58.06 2ctd h ARG 73 Cb 1.16 0.07 -0.08 0.00 0.00 0.00 0.00 29.97 31.12 2ctd h ARG 73 CO 0.44 1.04 0.46 -1.54 0.00 0.00 0.00 179.97 180.37 2ctd s SER 74 N -6.65 6.87 0.20 7.04 1.04 -1.26 -4.89 113.70 116.06 2ctd s SER 74 Ca -0.13 1.08 -0.11 0.00 0.48 0.00 0.00 55.95 57.28 2ctd s SER 74 Cb 0.06 -2.44 0.23 0.00 0.10 0.00 0.00 66.02 63.97 2ctd s SER 74 CO 0.83 -0.49 1.76 0.25 0.98 0.00 0.00 173.24 176.57 2ctd h LEU 75 N 8.94 0.27 -0.01 2.42 5.85 -2.00 -2.89 115.31 127.89 2ctd h LEU 75 Ca -0.25 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2ctd h LEU 75 Cb 1.10 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2ctd h LEU 75 CO 0.87 0.17 -0.13 0.00 -0.34 0.00 0.00 178.44 179.01 2ctd h ALA 76 N 1.37 -0.59 -1.09 1.25 0.00 -1.98 0.25 119.26 118.48 2ctd h ALA 76 Ca 0.28 -0.02 0.41 0.00 0.00 0.00 0.00 54.91 55.58 2ctd h ALA 76 Cb 0.30 0.62 -0.16 0.00 0.00 0.00 0.00 17.79 18.55 2ctd h ALA 76 CO -0.26 -0.63 0.63 0.78 0.00 0.00 0.00 179.25 179.77 2ctd h GLY 77 N -0.16 2.01 0.59 0.00 0.00 -1.96 0.40 103.07 103.96 2ctd h GLY 77 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2ctd h GLY 77 CO -0.09 -0.65 -0.13 1.98 0.00 0.00 0.00 176.54 177.64 2ctd h MET 78 N 0.08 0.21 0.00 4.80 -1.53 -1.07 -2.81 114.93 114.60 2ctd h MET 78 Ca 0.83 -0.13 0.00 0.00 -3.44 0.00 0.00 59.70 56.95 2ctd h MET 78 Cb 2.24 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 33.31 2ctd h MET 78 CO -0.66 0.72 0.14 0.87 0.14 0.00 0.00 176.91 178.13 2ctd h LYS 79 N -0.29 0.00 0.00 0.39 1.57 0.32 0.36 116.57 118.92 2ctd h LYS 79 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2ctd h LYS 79 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2ctd h LYS 79 CO 0.03 0.00 -1.58 0.98 -0.57 0.00 0.00 179.45 178.31 2ctd n TYR 80 N -2.33 0.50 0.10 -1.35 4.19 -0.68 -3.90 117.16 113.69 2ctd n TYR 80 Ca -0.01 0.15 -0.02 0.00 3.31 0.00 0.00 57.90 61.33 2ctd n TYR 80 Cb 0.17 -0.79 0.23 0.00 0.49 0.00 0.00 39.34 39.44 2ctd n TYR 80 CO 0.00 0.00 0.00 1.12 0.91 0.00 0.00 176.86 178.89 2ctd h HIS 81 N 0.00 0.24 0.05 2.98 2.07 -0.03 -2.51 115.15 117.95 2ctd h HIS 81 Ca -0.06 -0.07 -0.00 0.00 -2.85 0.00 0.00 60.37 57.39 2ctd h HIS 81 Cb 1.17 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2ctd h HIS 81 CO 0.00 0.61 -0.02 0.28 -3.07 0.00 0.00 177.93 175.72 2ctd h VAL 82 N 0.17 1.28 -0.78 6.12 2.07 -1.69 -0.51 116.25 122.92 2ctd h VAL 82 Ca 0.01 -1.62 0.15 0.00 0.82 0.00 0.00 66.70 66.06 2ctd h VAL 82 Cb 0.83 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 2ctd h VAL 82 CO 0.06 0.38 0.52 0.00 0.02 0.00 0.00 177.57 178.55 2ctd h MET 83 N -0.85 0.46 0.00 1.57 -0.00 -1.67 1.19 114.93 115.63 2ctd h MET 83 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2ctd h MET 83 Cb 0.67 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.16 2ctd h MET 83 CO 0.01 0.30 0.00 0.00 -0.00 0.00 0.00 176.91 177.22 2ctd n ALA 84 N -2.50 0.00 0.13 -3.00 0.00 -0.95 -3.33 120.51 110.86 2ctd n ALA 84 Ca 0.15 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 2ctd n ALA 84 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 -0.22 -1.47 0.00 2.35 -1.11 -3.05 115.58 112.07 2ctd h ASN 85 Ca 0.00 -0.05 -0.64 0.00 -0.55 0.00 0.00 56.30 55.06 2ctd h ASN 85 Cb 0.00 0.06 -0.21 0.00 0.05 0.00 0.00 38.32 38.22 2ctd h ASN 85 CO 0.00 -0.09 0.87 1.41 -1.65 0.00 0.00 177.43 177.97 2ctd n HIS 86 N -5.17 2.24 -0.73 1.19 8.25 0.41 -4.76 115.22 116.65 2ctd n HIS 86 Ca -0.09 -2.20 -0.06 0.00 -0.26 0.00 0.00 57.72 55.11 2ctd n HIS 86 Cb 0.15 -1.35 -0.07 0.00 1.12 0.00 0.00 29.99 29.84 2ctd n HIS 86 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2ctd n ASN 87 N 0.42 5.34 -3.97 0.41 0.23 -0.86 -4.33 115.26 112.51 2ctd n ASN 87 Ca 0.52 -2.46 -0.31 0.00 -0.53 0.00 0.00 54.58 51.80 2ctd n ASN 87 Cb 0.39 -1.25 -0.12 0.00 -2.08 0.00 0.00 39.78 36.72 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2ctd s SER 88 N 1.94 4.73 -0.29 0.53 0.15 -1.26 -5.05 113.70 114.45 2ctd s SER 88 Ca 0.30 -3.32 -0.11 0.00 0.70 0.00 0.00 55.95 53.52 2ctd s SER 88 Cb 0.15 -1.69 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2ctd s SER 88 CO -0.00 -0.20 0.18 -1.48 1.20 0.00 0.00 173.24 172.94 2ctd s LEU 89 N -0.72 4.03 0.02 3.45 0.05 -1.26 -4.99 118.68 119.26 2ctd s LEU 89 Ca 0.20 -0.13 -0.22 0.00 0.05 0.00 0.00 54.13 54.03 2ctd s LEU 89 Cb -0.17 -2.09 -0.16 0.00 -2.05 0.00 0.00 46.19 41.72 2ctd s LEU 89 CO -0.07 -0.09 1.32 1.55 -0.55 0.00 0.00 176.35 178.52 2ctd h PRO 90 N 8.37 0.26 -4.79 1.48 0.13 -2.00 -3.45 132.00 131.99 2ctd h PRO 90 Ca -0.35 -0.14 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 2ctd h PRO 90 Cb 1.18 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.34 2ctd h PRO 90 CO 0.57 0.67 0.25 -1.13 -0.23 0.00 0.00 178.00 178.13 2ctd n SER 91 N -4.64 0.38 -4.18 1.44 3.41 -1.26 -4.88 113.62 103.90 2ctd n SER 91 Ca -0.07 0.94 -0.40 0.00 -0.26 0.00 0.00 58.87 59.08 2ctd n SER 91 Cb 0.33 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.48 2ctd n SER 91 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ctd s GLY 92 N 0.96 2.34 1.14 5.00 0.00 -1.26 -5.08 107.32 110.42 2ctd s GLY 92 Ca 0.77 -2.98 -0.17 0.00 0.00 0.00 0.00 44.72 42.35 2ctd s GLY 92 CO 0.54 1.13 1.10 2.56 0.00 0.00 0.00 173.10 178.43 2ctd s PRO 93 N 0.55 -0.70 -0.32 2.90 0.04 -1.26 -4.88 135.00 131.33 2ctd s PRO 93 Ca 0.13 0.13 -0.27 0.00 0.04 0.00 0.00 61.00 61.02 2ctd s PRO 93 Cb -0.20 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2ctd s PRO 93 CO -0.04 -3.40 2.21 0.45 0.04 0.00 0.00 177.00 176.26 2ctd s SER 94 N -3.73 5.21 0.22 6.66 0.15 -1.26 -4.95 113.70 116.01 2ctd s SER 94 Ca 0.69 1.53 0.08 0.00 0.70 0.00 0.00 55.95 58.95 2ctd s SER 94 Cb -0.13 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 2ctd s SER 94 CO 0.57 -2.21 -0.14 -0.94 1.20 0.00 0.00 173.24 171.72 2ctd s SER 95 N 9.11 2.74 0.00 5.45 1.04 -1.26 -5.35 113.70 125.44 2ctd s SER 95 Ca 0.96 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 56.37 2ctd s SER 95 Cb -0.26 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.71 2ctd s SER 95 CO 0.32 -0.16 0.59 0.61 0.98 0.00 0.00 173.24 175.58