#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 6.54 -0.92 1.61 0.01 -1.26 -5.04 113.70 114.64 2ctd s SER 2 Ca 0.00 0.71 -0.14 0.00 1.31 0.00 0.00 55.95 57.83 2ctd s SER 2 Cb 0.00 -2.14 0.21 0.00 0.21 0.00 0.00 66.02 64.31 2ctd s SER 2 CO 0.00 0.01 0.93 -0.55 0.41 0.00 0.00 173.24 174.04 2ctd s SER 3 N -2.41 6.87 0.04 2.44 0.15 -1.26 -4.92 113.70 114.61 2ctd s SER 3 Ca 0.43 -2.78 -0.22 0.00 0.70 0.00 0.00 55.95 54.08 2ctd s SER 3 Cb -0.12 -2.25 -0.12 0.00 -1.71 0.00 0.00 66.02 61.82 2ctd s SER 3 CO 0.23 -0.61 1.33 1.23 1.20 0.00 0.00 173.24 176.63 2ctd h GLY 4 N 8.10 -0.88 -2.08 9.45 0.00 -2.11 -3.48 103.07 112.07 2ctd h GLY 4 Ca 0.14 0.35 0.30 0.00 0.00 0.00 0.00 47.33 48.12 2ctd h GLY 4 CO 0.89 -0.31 0.80 -0.45 0.00 0.00 0.00 176.54 177.47 2ctd s SER 5 N -3.24 -0.02 -0.20 0.19 0.15 -1.26 -5.18 113.70 104.13 2ctd s SER 5 Ca -0.11 -0.29 -0.18 0.00 0.70 0.00 0.00 55.95 56.07 2ctd s SER 5 Cb 0.01 0.24 0.05 0.00 -1.71 0.00 0.00 66.02 64.62 2ctd s SER 5 CO 0.35 -0.46 0.54 -0.55 1.20 0.00 0.00 173.24 174.32 2ctd s SER 6 N -3.45 -0.58 -0.07 5.45 0.15 -1.26 -5.17 113.70 108.76 2ctd s SER 6 Ca 0.23 1.10 -0.32 0.00 0.70 0.00 0.00 55.95 57.66 2ctd s SER 6 Cb 0.01 1.10 0.13 0.00 -1.71 0.00 0.00 66.02 65.54 2ctd s SER 6 CO -0.00 -0.19 1.39 -0.83 1.20 0.00 0.00 173.24 174.80 2ctd s GLY 7 N 0.45 -0.39 -0.08 9.45 0.00 -1.26 -5.18 107.32 110.31 2ctd s GLY 7 Ca -0.01 0.66 -0.12 0.00 0.00 0.00 0.00 44.72 45.24 2ctd s GLY 7 CO -0.01 2.15 0.31 0.50 0.00 0.00 0.00 173.10 176.05 2ctd s ARG 8 N -2.08 0.49 -0.01 2.90 0.52 -1.26 -5.17 118.95 114.34 2ctd s ARG 8 Ca 0.20 0.19 0.04 0.00 -0.52 0.00 0.00 55.73 55.63 2ctd s ARG 8 Cb 0.05 0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.74 2ctd s ARG 8 CO -0.05 -0.10 -0.11 0.96 0.02 0.00 0.00 175.30 176.02 2ctd s ILE 9 N -0.43 0.90 -0.12 1.52 -4.36 -1.26 -5.14 121.20 112.32 2ctd s ILE 9 Ca -0.05 -0.51 -0.06 0.00 -0.26 0.00 0.00 60.65 59.77 2ctd s ILE 9 Cb -0.04 -0.76 0.05 0.00 1.25 0.00 0.00 42.46 42.97 2ctd s ILE 9 CO 0.02 0.24 0.27 -0.13 0.24 0.00 0.00 174.94 175.58 2ctd s ARG 10 N -0.31 0.22 -0.51 0.37 0.52 -1.26 -5.04 118.95 112.95 2ctd s ARG 10 Ca 0.04 0.59 0.02 0.00 -0.52 0.00 0.00 55.73 55.87 2ctd s ARG 10 Cb -0.05 -0.10 0.51 0.00 0.52 0.00 0.00 34.95 35.84 2ctd s ARG 10 CO -0.00 -0.18 1.80 1.63 0.02 0.00 0.00 175.30 178.56 2ctd n LYS 11 N 4.37 2.61 -2.44 3.54 4.76 -1.26 -5.00 118.16 124.74 2ctd n LYS 11 Ca -0.23 -3.35 -0.28 0.00 -2.87 0.00 0.00 58.31 51.58 2ctd n LYS 11 Cb 0.53 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 2ctd n LYS 11 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2ctd s GLU 12 N -3.59 3.52 0.11 1.97 2.02 -1.26 -5.03 118.70 116.43 2ctd s GLU 12 Ca 0.58 0.32 -0.31 0.00 0.02 0.00 0.00 54.97 55.58 2ctd s GLU 12 Cb 0.47 -2.30 -0.08 0.00 0.10 0.00 0.00 34.13 32.33 2ctd s GLU 12 CO 0.03 -0.32 1.36 -1.25 0.02 0.00 0.00 175.26 175.09 2ctd s PRO 13 N -4.86 4.34 0.86 0.39 0.04 -1.26 -5.03 135.00 129.48 2ctd s PRO 13 Ca 0.50 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.42 2ctd s PRO 13 Cb -0.10 -3.26 0.21 0.00 0.04 0.00 0.00 34.50 31.39 2ctd s PRO 13 CO 0.47 -0.41 0.77 -0.35 0.04 0.00 0.00 177.00 177.52 2ctd n PRO 14 N 3.90 -2.52 0.04 0.56 -0.04 -1.26 -4.89 135.00 130.78 2ctd n PRO 14 Ca 0.11 -1.23 0.16 0.00 -0.04 0.00 0.00 63.50 62.51 2ctd n PRO 14 Cb 0.43 -1.15 0.64 0.00 -0.04 0.00 0.00 33.50 33.38 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 -2.37 0.82 -3.39 0.52 3.04 -2.04 -3.42 116.25 109.41 2ctd h VAL 15 Ca -0.29 -0.03 -0.53 0.00 -1.01 0.00 0.00 66.70 64.85 2ctd h VAL 15 Cb 0.88 0.73 0.05 0.00 -2.01 0.00 0.00 31.29 30.95 2ctd h VAL 15 CO 0.19 0.01 0.74 -0.31 -1.01 0.00 0.00 177.57 177.19 2ctd s TYR 16 N -5.10 3.06 1.10 3.17 2.02 -1.26 -4.98 117.35 115.36 2ctd s TYR 16 Ca -0.06 1.07 -0.14 0.00 -0.37 0.00 0.00 57.07 57.57 2ctd s TYR 16 Cb 0.19 -3.78 0.18 0.00 -0.40 0.00 0.00 41.96 38.15 2ctd s TYR 16 CO 0.72 -2.52 0.60 0.00 -1.57 0.00 0.00 175.55 172.79 2ctd n ALA 17 N 2.37 -3.06 -2.86 3.71 0.00 -1.26 -4.86 120.51 114.54 2ctd n ALA 17 Ca 0.07 -1.07 -0.44 0.00 0.00 0.00 0.00 53.44 52.00 2ctd n ALA 17 Cb 0.41 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -4.53 4.27 0.00 0.00 0.00 -1.26 -4.08 120.51 114.92 2ctd n ALA 18 Ca 0.04 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.15 2ctd n ALA 18 Cb 0.57 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 3.58 2.30 3.55 0.00 0.00 -1.26 -5.12 105.19 108.23 2ctd n GLY 19 Ca 0.36 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2ctd n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctd n SER 20 N 0.00 -0.12 -0.25 1.61 3.41 -1.26 -4.83 113.62 112.18 2ctd n SER 20 Ca 0.00 0.76 0.19 0.00 -0.26 0.00 0.00 58.87 59.55 2ctd n SER 20 Cb 0.00 -1.29 0.50 0.00 -0.26 0.00 0.00 64.21 63.16 2ctd n SER 20 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2ctd h LEU 21 N 0.28 0.43 -0.44 1.04 3.38 -2.00 -1.20 115.31 116.81 2ctd h LEU 21 Ca -0.47 0.05 0.09 0.00 0.09 0.00 0.00 57.88 57.63 2ctd h LEU 21 Cb 1.38 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 42.01 2ctd h LEU 21 CO 0.48 0.17 -0.14 -0.33 0.09 0.00 0.00 178.44 178.71 2ctd h GLU 22 N 0.43 -0.04 -0.31 1.13 3.07 -1.94 0.41 114.58 117.33 2ctd h GLU 22 Ca 0.48 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.41 2ctd h GLU 22 Cb 1.18 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 29.03 2ctd h GLU 22 CO -0.19 -0.03 -0.12 1.49 -1.40 0.00 0.00 179.01 178.76 2ctd h GLU 23 N -0.04 -0.07 0.93 2.33 4.57 -1.44 -0.57 114.58 120.29 2ctd h GLU 23 Ca 0.21 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.35 2ctd h GLU 23 Cb 0.37 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2ctd h GLU 23 CO -0.47 -0.04 -0.48 1.96 -1.18 0.00 0.00 179.01 178.80 2ctd h GLN 24 N -0.07 -1.24 -0.87 1.92 4.20 -1.33 -2.33 115.11 115.40 2ctd h GLN 24 Ca 0.16 0.08 0.23 0.00 0.06 0.00 0.00 58.65 59.18 2ctd h GLN 24 Cb 0.31 0.28 -0.15 0.00 0.30 0.00 0.00 27.48 28.22 2ctd h GLN 24 CO -0.36 -0.83 0.13 -1.49 -0.67 0.00 0.00 178.83 175.62 2ctd h TRP 25 N -1.28 0.16 -0.30 2.96 6.55 -0.76 0.19 115.95 123.47 2ctd h TRP 25 Ca -0.13 0.06 0.04 0.00 0.95 0.00 0.00 58.89 59.81 2ctd h TRP 25 Cb 1.00 0.07 -0.04 0.00 -0.86 0.00 0.00 29.16 29.33 2ctd h TRP 25 CO -0.02 -0.27 0.07 -0.92 -1.05 0.00 0.00 178.44 176.25 2ctd h TYR 26 N 0.13 0.12 -0.35 0.49 3.20 -0.90 -2.75 116.97 116.92 2ctd h TYR 26 Ca 0.53 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.49 2ctd h TYR 26 Cb 1.04 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.22 2ctd h TYR 26 CO -0.36 0.04 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.81 2ctd h LEU 27 N 0.18 -1.05 -1.60 2.82 3.38 -0.07 0.32 115.31 119.30 2ctd h LEU 27 Ca 0.14 0.18 0.31 0.00 0.09 0.00 0.00 57.88 58.60 2ctd h LEU 27 Cb 0.14 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2ctd h LEU 27 CO -0.17 -0.32 1.00 -0.08 0.09 0.00 0.00 178.44 178.96 2ctd h GLU 28 N -0.27 0.00 0.00 1.13 4.81 -1.17 0.21 114.58 119.28 2ctd h GLU 28 Ca 0.16 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2ctd h GLU 28 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2ctd h GLU 28 CO -0.50 0.00 -0.29 0.82 -0.73 0.00 0.00 179.01 178.31 2ctd h ILE 29 N 0.00 0.62 0.00 2.32 2.04 -0.39 -1.42 117.51 120.68 2ctd h ILE 29 Ca 0.51 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2ctd h ILE 29 Cb 2.51 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 2ctd h ILE 29 CO -0.01 0.21 0.04 -0.37 0.00 0.00 0.00 178.15 178.02 2ctd h VAL 30 N -1.00 0.00 0.02 1.67 -1.51 -0.21 1.77 116.25 116.98 2ctd h VAL 30 Ca -0.05 0.00 -0.40 0.00 -1.23 0.00 0.00 66.70 65.02 2ctd h VAL 30 Cb 0.57 0.55 -0.06 0.00 -2.13 0.00 0.00 31.29 30.22 2ctd h VAL 30 CO -0.03 0.00 -2.34 -0.67 -1.23 0.00 0.00 177.57 173.30 2ctd n ASP 31 N -2.39 1.98 -0.07 4.19 -0.08 0.51 -4.81 116.55 115.89 2ctd n ASP 31 Ca -0.02 0.10 -0.15 0.00 -1.51 0.00 0.00 54.79 53.21 2ctd n ASP 31 Cb 0.08 -0.64 -0.05 0.00 2.34 0.00 0.00 41.12 42.85 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 -3.68 0.32 0.00 -0.67 4.76 -0.54 -5.05 118.16 113.29 2ctd n LYS 32 Ca -0.46 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 2ctd n LYS 32 Cb 0.94 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 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 2.09 0.29 3.49 0.72 0.00 0.60 -4.98 105.19 107.39 2ctd n GLY 33 Ca -0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.36 -0.59 -0.13 1.61 1.04 -1.25 -4.61 113.70 109.40 2ctd s SER 34 Ca 0.00 0.78 -0.05 0.00 0.48 0.00 0.00 55.95 57.15 2ctd s SER 34 Cb 0.00 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 2ctd s SER 34 CO 0.00 -0.49 0.06 0.54 0.98 0.00 0.00 173.24 174.34 2ctd s VAL 35 N -0.81 4.82 0.88 5.02 0.11 -0.64 -4.16 120.40 125.62 2ctd s VAL 35 Ca -0.09 -0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.80 2ctd s VAL 35 Cb -0.02 -3.10 0.12 0.00 -1.53 0.00 0.00 36.38 31.85 2ctd s VAL 35 CO 0.07 0.56 1.15 -0.55 -3.33 0.00 0.00 175.10 173.00 2ctd s SER 36 N -0.50 3.81 -0.26 3.54 0.15 -1.26 -1.74 113.70 117.44 2ctd s SER 36 Ca 0.10 0.90 -0.16 0.00 0.70 0.00 0.00 55.95 57.49 2ctd s SER 36 Cb -0.12 -1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 62.72 2ctd s SER 36 CO 0.02 -2.36 0.41 0.00 1.20 0.00 0.00 173.24 172.52 2ctd n PRO 38 N 5.23 0.25 -0.06 0.00 -0.04 -1.26 0.92 135.00 140.04 2ctd n PRO 38 Ca -0.07 0.12 -0.05 0.00 -0.04 0.00 0.00 63.50 63.46 2ctd n PRO 38 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.25 1.10 -0.07 0.52 -1.04 -1.26 -4.75 114.28 107.53 2ctd n THR 39 Ca 0.08 0.26 -0.08 0.00 -2.04 0.00 0.00 64.05 62.27 2ctd n THR 39 Cb 0.11 -2.16 -0.15 0.00 -1.82 0.00 0.00 70.33 66.31 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 -2.76 -5.92 -0.05 0.00 6.02 0.26 -4.87 117.38 110.06 2ctd n GLN 41 Ca -0.27 0.76 -0.07 0.00 -0.01 0.00 0.00 57.00 57.41 2ctd n GLN 41 Cb 1.08 -5.68 -0.06 0.00 1.02 0.00 0.00 30.24 26.59 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 -4.31 1.75 -2.36 -1.58 0.00 -1.26 -4.85 120.51 107.90 2ctd n ALA 42 Ca -0.02 -0.57 -0.20 0.00 0.00 0.00 0.00 53.44 52.65 2ctd n ALA 42 Cb 0.57 0.14 -0.09 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.24 0.34 0.10 0.00 -7.23 -1.26 -5.00 120.40 105.11 2ctd s VAL 43 Ca -0.11 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.92 2ctd s VAL 43 Cb 0.04 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.51 2ctd s VAL 43 CO 0.33 0.00 0.34 -0.83 -0.31 0.00 0.00 175.10 174.63 2ctd s GLY 44 N -3.41 -0.17 0.49 2.32 0.00 -1.25 -1.19 107.32 104.11 2ctd s GLY 44 Ca 0.34 -0.16 0.09 0.00 0.00 0.00 0.00 44.72 44.99 2ctd s GLY 44 CO 0.18 -0.40 0.65 0.50 0.00 0.00 0.00 173.10 174.03 2ctd s ARG 45 N -3.62 2.57 0.04 2.90 3.00 -0.71 -4.81 118.95 118.32 2ctd s ARG 45 Ca 0.02 -1.45 -0.19 0.00 0.00 0.00 0.00 55.73 54.10 2ctd s ARG 45 Cb 0.02 -2.67 -0.15 0.00 0.00 0.00 0.00 34.95 32.16 2ctd s ARG 45 CO -0.10 -0.53 1.32 0.87 0.00 0.00 0.00 175.30 176.85 2ctd h LYS 46 N 0.47 0.42 0.00 3.54 1.57 -1.90 -1.71 116.57 118.95 2ctd h LYS 46 Ca -0.36 -0.25 -0.49 0.00 -1.87 0.00 0.00 60.65 57.69 2ctd h LYS 46 Cb 1.28 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.52 2ctd h LYS 46 CO 0.44 0.83 -0.38 0.25 -0.57 0.00 0.00 179.45 180.02 2ctd n THR 47 N -4.47 0.00 0.13 -0.16 -2.24 -1.26 -4.33 114.28 101.96 2ctd n THR 47 Ca -0.06 -1.90 -0.14 0.00 -2.27 0.00 0.00 64.05 59.68 2ctd n THR 47 Cb 0.42 0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.36 0.81 -0.65 2.28 1.08 -1.93 -3.16 117.51 117.30 2ctd h ILE 48 Ca -0.30 -0.49 0.07 0.00 -0.39 0.00 0.00 64.86 63.75 2ctd h ILE 48 Cb 0.99 1.09 -0.10 0.00 -3.07 0.00 0.00 36.82 35.73 2ctd h ILE 48 CO 0.49 0.11 -0.55 -0.33 -0.69 0.00 0.00 178.15 177.18 2ctd h GLU 49 N -0.59 -0.22 -0.92 2.37 3.07 -2.00 0.16 114.58 116.45 2ctd h GLU 49 Ca -0.03 0.01 0.26 0.00 -0.50 0.00 0.00 59.36 59.10 2ctd h GLU 49 Cb 0.43 0.05 -0.15 0.00 -0.84 0.00 0.00 28.75 28.24 2ctd h GLU 49 CO 0.06 -0.15 0.30 0.78 -1.40 0.00 0.00 179.01 178.60 2ctd h GLY 50 N -0.23 1.54 0.94 -3.84 0.00 -1.97 0.14 103.07 99.65 2ctd h GLY 50 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2ctd h GLY 50 CO -0.74 -0.42 0.13 -2.00 0.00 0.00 0.00 176.54 173.50 2ctd h LEU 51 N 0.21 0.30 -0.45 3.11 5.85 -0.68 -2.61 115.31 121.04 2ctd h LEU 51 Ca 0.61 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 59.29 2ctd h LEU 51 Cb 1.29 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.15 2ctd h LEU 51 CO -0.67 0.32 -0.49 0.11 -0.34 0.00 0.00 178.44 177.37 2ctd h LYS 52 N 0.27 -0.32 -0.41 1.25 6.56 0.15 0.50 116.57 124.56 2ctd h LYS 52 Ca 0.08 0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.78 2ctd h LYS 52 Cb 0.08 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 2ctd h LYS 52 CO -0.01 -0.22 0.29 -0.22 -2.06 0.00 0.00 179.45 177.23 2ctd h LYS 53 N -0.34 0.16 0.07 3.15 1.63 -1.43 0.24 116.57 120.06 2ctd h LYS 53 Ca 0.12 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2ctd h LYS 53 Cb 0.59 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2ctd h LYS 53 CO -0.61 0.11 -0.03 1.25 -3.45 0.00 0.00 179.45 176.71 2ctd h HIS 54 N 0.17 -0.09 0.00 1.91 2.76 0.08 -3.10 115.15 116.88 2ctd h HIS 54 Ca 0.19 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2ctd h HIS 54 Cb 0.54 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2ctd h HIS 54 CO -0.00 0.42 0.00 0.00 -1.30 0.00 0.00 177.93 177.05 2ctd n MET 55 N -4.87 0.03 -0.26 5.26 0.00 0.13 -1.56 117.12 115.85 2ctd n MET 55 Ca -0.08 0.22 -0.04 0.00 0.00 0.00 0.00 57.70 57.79 2ctd n MET 55 Cb 0.28 -1.56 0.11 0.00 0.00 0.00 0.00 33.22 32.05 2ctd n MET 55 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2ctd h GLU 56 N 0.00 1.11 0.00 3.17 5.08 -0.45 -3.20 114.58 120.28 2ctd h GLU 56 Ca 0.00 -0.18 -0.25 0.00 -1.00 0.00 0.00 59.36 57.93 2ctd h GLU 56 Cb 0.33 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2ctd h GLU 56 CO 0.00 0.89 -1.93 0.09 -1.00 0.00 0.00 179.01 177.06 2ctd n ASN 57 N -4.29 2.57 -0.45 1.42 3.02 -1.17 -4.53 115.26 111.83 2ctd n ASN 57 Ca 0.07 -0.07 0.37 0.00 -0.03 0.00 0.00 54.58 54.92 2ctd n ASN 57 Cb 0.17 -0.08 0.65 0.00 -0.61 0.00 0.00 39.78 39.91 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 -4.72 0.00 -1.54 0.00 5.02 -1.21 -4.67 118.16 111.04 2ctd n LYS 59 Ca 0.38 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 56.23 2ctd n LYS 59 Cb 1.46 -0.77 -0.05 0.00 -0.02 0.00 0.00 35.03 35.65 2ctd n LYS 59 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2ctd n GLN 60 N 4.32 1.47 -3.63 1.97 6.02 -1.26 -4.89 117.38 121.37 2ctd n GLN 60 Ca 0.44 0.35 -0.04 0.00 -0.01 0.00 0.00 57.00 57.74 2ctd n GLN 60 Cb 0.07 -2.98 -0.06 0.00 1.02 0.00 0.00 30.24 28.28 2ctd n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2ctd s GLU 61 N 6.74 0.56 0.28 -1.09 2.12 -1.26 -5.18 118.70 120.86 2ctd s GLU 61 Ca 1.04 1.00 -0.03 0.00 0.36 0.00 0.00 54.97 57.34 2ctd s GLU 61 Cb -0.50 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.05 2ctd s GLU 61 CO 0.38 -0.12 0.35 -1.64 -0.54 0.00 0.00 175.26 173.69 2ctd s MET 62 N 1.65 1.60 0.23 4.30 -1.94 -1.26 -5.04 119.30 118.84 2ctd s MET 62 Ca -0.09 -1.63 0.03 0.00 -1.71 0.00 0.00 55.69 52.28 2ctd s MET 62 Cb -0.05 0.39 -0.05 0.00 2.01 0.00 0.00 34.83 37.12 2ctd s MET 62 CO -0.18 -0.62 0.03 -0.06 -0.01 0.00 0.00 175.02 174.17 2ctd s PHE 63 N -3.66 1.51 -0.11 -0.03 0.08 -1.26 -5.12 117.98 109.39 2ctd s PHE 63 Ca 0.32 -1.01 -0.06 0.00 0.12 0.00 0.00 56.93 56.31 2ctd s PHE 63 Cb 0.02 -0.89 0.05 0.00 -0.57 0.00 0.00 43.02 41.63 2ctd s PHE 63 CO 0.16 -0.14 0.27 0.99 -0.10 0.00 0.00 175.22 176.40 2ctd s THR 64 N -3.54 -0.05 0.93 0.64 2.01 -1.26 -4.09 115.64 110.27 2ctd s THR 64 Ca 0.30 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 2ctd s THR 64 Cb 0.06 -0.41 0.15 0.00 0.01 0.00 0.00 72.50 72.31 2ctd s THR 64 CO 0.09 0.06 1.11 0.00 -0.69 0.00 0.00 174.62 175.19 2ctd n HIS 66 N -4.17 0.00 0.41 0.00 8.25 -1.26 -3.43 115.22 115.03 2ctd n HIS 66 Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.39 2ctd n HIS 66 Cb 0.53 -0.86 -0.08 0.00 1.12 0.00 0.00 29.99 30.70 2ctd n HIS 66 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2ctd h HIS 67 N 0.00 -0.97 0.00 4.41 3.86 -2.01 -3.40 115.15 117.04 2ctd h HIS 67 Ca -0.49 -0.02 -0.43 0.00 -1.16 0.00 0.00 60.37 58.27 2ctd h HIS 67 Cb 1.84 0.32 -0.07 0.00 1.06 0.00 0.00 27.41 30.57 2ctd h HIS 67 CO 0.02 -0.61 -2.45 0.00 0.86 0.00 0.00 177.93 175.76 2ctd n GLY 69 N 1.55 1.80 3.71 0.00 0.00 -1.22 -5.01 105.19 106.02 2ctd n GLY 69 Ca -0.50 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.13 1.94 -0.28 1.61 2.20 -1.26 -4.42 119.74 119.39 2ctd s LYS 70 Ca 0.00 1.73 -0.01 0.00 -0.36 0.00 0.00 55.97 57.33 2ctd s LYS 70 Cb 0.00 -1.81 0.09 0.00 -1.51 0.00 0.00 37.83 34.60 2ctd s LYS 70 CO 0.00 -1.98 0.07 -0.65 -0.36 0.00 0.00 175.35 172.42 2ctd s GLN 71 N -4.05 0.85 0.07 4.03 -0.21 -1.26 -1.18 119.66 117.91 2ctd s GLN 71 Ca 0.73 -1.01 0.06 0.00 0.02 0.00 0.00 55.36 55.16 2ctd s GLN 71 Cb -0.28 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 2ctd s GLN 71 CO 0.48 -0.88 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.16 2ctd s LEU 72 N 1.59 3.05 0.35 2.90 1.43 -1.26 -5.02 118.68 121.72 2ctd s LEU 72 Ca 0.06 -0.31 0.16 0.00 -1.03 0.00 0.00 54.13 53.02 2ctd s LEU 72 Cb -0.17 -1.82 0.60 0.00 0.03 0.00 0.00 46.19 44.83 2ctd s LEU 72 CO -0.19 0.22 1.71 0.08 0.23 0.00 0.00 176.35 178.39 2ctd h ARG 73 N 3.97 0.00 -6.45 1.70 0.11 -1.96 -3.37 114.38 108.38 2ctd h ARG 73 Ca -0.48 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 58.96 2ctd h ARG 73 Cb 1.17 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.11 2ctd h ARG 73 CO 0.53 0.44 -0.70 0.45 0.10 0.00 0.00 179.97 180.78 2ctd s SER 74 N -6.57 4.53 -0.02 0.08 0.15 -1.26 -4.94 113.70 105.68 2ctd s SER 74 Ca -0.00 -0.41 -0.19 0.00 0.70 0.00 0.00 55.95 56.04 2ctd s SER 74 Cb 0.12 -0.90 -0.33 0.00 -1.71 0.00 0.00 66.02 63.20 2ctd s SER 74 CO 0.71 0.13 0.93 0.25 1.20 0.00 0.00 173.24 176.46 2ctd h LEU 75 N 3.17 0.62 0.00 3.45 5.85 -2.00 -3.27 115.31 123.13 2ctd h LEU 75 Ca -0.48 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.30 2ctd h LEU 75 Cb 1.19 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2ctd h LEU 75 CO 0.55 1.53 0.00 0.00 -0.34 0.00 0.00 178.44 180.18 2ctd n ALA 76 N -2.70 -0.25 -0.40 1.25 0.00 -1.26 -0.20 120.51 116.95 2ctd n ALA 76 Ca -0.15 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.61 2ctd n ALA 76 Cb 0.94 0.20 0.60 0.00 0.00 0.00 0.00 19.45 21.19 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 1.42 0.61 0.00 0.00 -2.01 -0.31 103.07 102.78 2ctd h GLY 77 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2ctd h GLY 77 CO 0.00 -0.39 -0.24 1.98 0.00 0.00 0.00 176.54 177.89 2ctd h MET 78 N 0.16 -0.65 -0.31 4.80 -1.53 -1.43 -2.64 114.93 113.33 2ctd h MET 78 Ca 0.77 0.04 0.09 0.00 -3.44 0.00 0.00 59.70 57.17 2ctd h MET 78 Cb 2.27 0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 33.46 2ctd h MET 78 CO -0.44 -0.36 0.88 0.87 0.14 0.00 0.00 176.91 178.00 2ctd h LYS 79 N -1.07 0.00 0.17 0.39 1.57 0.12 1.11 116.57 118.87 2ctd h LYS 79 Ca -0.07 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.36 2ctd h LYS 79 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2ctd h LYS 79 CO 0.11 0.00 -1.81 -0.92 -0.57 0.00 0.00 179.45 176.26 2ctd h TYR 80 N 0.00 0.66 -1.00 -1.35 3.20 -1.29 -3.34 116.97 113.85 2ctd h TYR 80 Ca 0.15 -0.48 0.26 0.00 3.14 0.00 0.00 58.73 61.80 2ctd h TYR 80 Cb 1.90 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 40.08 2ctd h TYR 80 CO 0.00 1.71 0.67 1.12 -1.64 0.00 0.00 178.16 180.02 2ctd h HIS 81 N 0.10 0.39 -0.52 -3.82 2.07 0.17 0.15 115.15 113.69 2ctd h HIS 81 Ca -0.36 0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.11 2ctd h HIS 81 Cb 2.09 -0.12 -0.02 0.00 2.57 0.00 0.00 27.41 31.93 2ctd h HIS 81 CO 0.10 0.06 0.10 0.28 -3.07 0.00 0.00 177.93 175.40 2ctd h VAL 82 N 0.26 1.25 -0.08 6.12 2.07 -1.65 -2.17 116.25 122.05 2ctd h VAL 82 Ca 0.52 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2ctd h VAL 82 Cb 1.58 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2ctd h VAL 82 CO -0.16 0.33 0.00 0.23 0.02 0.00 0.00 177.57 177.99 2ctd n MET 83 N -4.40 1.48 -0.03 1.57 2.00 0.52 -0.49 117.12 117.76 2ctd n MET 83 Ca 0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 57.70 57.28 2ctd n MET 83 Cb 0.25 -1.54 -0.03 0.00 0.00 0.00 0.00 33.22 31.90 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 0.04 1.88 -0.01 3.04 0.00 -0.84 -4.69 120.51 119.94 2ctd n ALA 84 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2ctd n ALA 84 Cb 0.34 0.32 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 2ctd n ALA 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ctd n ASN 85 N -2.56 4.36 -4.32 0.00 3.02 -1.07 -4.51 115.26 110.18 2ctd n ASN 85 Ca -0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.04 2ctd n ASN 85 Cb 0.62 0.88 -0.09 0.00 -0.61 0.00 0.00 39.78 40.57 2ctd n ASN 85 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2ctd s HIS 86 N -2.14 3.30 -0.35 3.10 3.76 0.36 -4.43 115.29 118.88 2ctd s HIS 86 Ca -0.01 -1.27 -0.02 0.00 -0.15 0.00 0.00 55.06 53.60 2ctd s HIS 86 Cb 0.01 -2.95 0.00 0.00 1.11 0.00 0.00 32.58 30.76 2ctd s HIS 86 CO 0.11 -0.80 0.30 -1.71 -0.85 0.00 0.00 174.74 171.79 2ctd n ASN 87 N 5.01 -3.12 -3.57 1.40 5.15 -1.26 -4.21 115.26 114.66 2ctd n ASN 87 Ca -0.11 -0.14 -0.13 0.00 -0.60 0.00 0.00 54.58 53.60 2ctd n ASN 87 Cb 0.44 -1.67 -0.06 0.00 -0.53 0.00 0.00 39.78 37.95 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2ctd s SER 88 N -3.07 -0.51 0.13 1.20 0.15 -1.26 -4.92 113.70 105.42 2ctd s SER 88 Ca 0.15 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2ctd s SER 88 Cb -0.07 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 2ctd s SER 88 CO 0.18 -0.39 0.29 -0.76 1.20 0.00 0.00 173.24 173.76 2ctd s LEU 89 N -0.80 4.32 0.93 3.45 2.01 -1.26 -4.50 118.68 122.82 2ctd s LEU 89 Ca -0.04 0.29 -0.12 0.00 0.01 0.00 0.00 54.13 54.27 2ctd s LEU 89 Cb -0.01 -3.02 0.15 0.00 0.01 0.00 0.00 46.19 43.32 2ctd s LEU 89 CO 0.03 0.07 1.09 -2.16 1.01 0.00 0.00 176.35 176.40 2ctd s PRO 90 N -2.95 1.02 -0.30 1.29 0.04 -1.26 -5.00 135.00 127.84 2ctd s PRO 90 Ca 0.36 0.74 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 2ctd s PRO 90 Cb -0.12 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.67 2ctd s PRO 90 CO 0.28 -2.38 0.03 0.45 0.04 0.00 0.00 177.00 175.41 2ctd s SER 91 N -3.43 4.92 0.00 6.66 0.15 -1.26 -5.03 113.70 115.71 2ctd s SER 91 Ca 0.64 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2ctd s SER 91 Cb -0.18 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2ctd s SER 91 CO 0.57 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2ctd n GLY 92 N 4.71 -0.61 3.65 9.45 0.00 -1.26 -5.16 105.19 115.97 2ctd n GLY 92 Ca -0.14 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.71 -0.10 -0.10 1.61 0.04 -1.26 -5.02 135.00 129.45 2ctd s PRO 93 Ca 0.00 0.33 -0.00 0.00 0.04 0.00 0.00 61.00 61.37 2ctd s PRO 93 Cb 0.00 -1.69 -0.00 0.00 0.04 0.00 0.00 34.50 32.85 2ctd s PRO 93 CO 0.00 -3.05 -0.01 0.77 0.04 0.00 0.00 177.00 174.76 2ctd h SER 94 N -2.12 0.00 -5.04 6.66 0.02 -2.02 -3.50 113.55 107.56 2ctd h SER 94 Ca -0.52 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.45 2ctd h SER 94 Cb 1.32 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.82 2ctd h SER 94 CO 0.52 0.49 0.20 -0.55 -1.14 0.00 0.00 176.83 176.35 2ctd s SER 95 N -5.49 -0.15 0.00 3.07 0.15 -1.26 -5.25 113.70 104.77 2ctd s SER 95 Ca -0.00 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2ctd s SER 95 Cb 0.00 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2ctd s SER 95 CO 0.01 -1.42 0.15 0.61 1.20 0.00 0.00 173.24 173.79