#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 -0.23 0.43 1.61 1.04 -1.26 -5.18 113.70 110.11 2ctd s SER 2 Ca 0.00 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.78 2ctd s SER 2 Cb 0.00 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 2ctd s SER 2 CO 0.00 -0.17 0.63 -0.55 0.98 0.00 0.00 173.24 174.14 2ctd s SER 3 N -0.67 5.81 -0.34 7.02 0.15 -1.26 -5.10 113.70 119.31 2ctd s SER 3 Ca 0.04 0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.88 2ctd s SER 3 Cb -0.02 -1.39 0.18 0.00 -1.71 0.00 0.00 66.02 63.08 2ctd s SER 3 CO -0.05 -0.68 0.53 -0.83 1.20 0.00 0.00 173.24 173.41 2ctd s GLY 4 N -4.23 -0.92 -0.28 9.45 0.00 -1.26 -5.13 107.32 104.94 2ctd s GLY 4 Ca 0.48 0.28 -0.20 0.00 0.00 0.00 0.00 44.72 45.29 2ctd s GLY 4 CO 0.36 3.39 0.91 -1.35 0.00 0.00 0.00 173.10 176.41 2ctd s SER 5 N 2.23 -0.61 0.08 1.64 1.04 -1.26 -5.08 113.70 111.75 2ctd s SER 5 Ca 0.13 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.60 2ctd s SER 5 Cb -0.09 1.17 0.00 0.00 0.10 0.00 0.00 66.02 67.20 2ctd s SER 5 CO -0.17 -0.17 0.00 -1.54 0.98 0.00 0.00 173.24 172.34 2ctd n SER 6 N 3.29 0.43 0.00 7.02 3.41 -1.26 -5.17 113.62 121.35 2ctd n SER 6 Ca -0.17 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2ctd n SER 6 Cb 0.57 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2ctd n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctd n GLY 7 N 2.82 2.87 3.35 5.00 0.00 -1.26 -5.14 105.19 112.84 2ctd n GLY 7 Ca 0.00 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 2ctd n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ctd s ARG 8 N -2.67 1.00 -0.03 1.61 1.70 -1.26 -5.17 118.95 114.13 2ctd s ARG 8 Ca 0.00 -0.38 0.03 0.00 -0.47 0.00 0.00 55.73 54.91 2ctd s ARG 8 Cb 0.00 0.45 -0.00 0.00 -0.57 0.00 0.00 34.95 34.83 2ctd s ARG 8 CO 0.00 -0.36 -0.13 0.42 -1.08 0.00 0.00 175.30 174.15 2ctd s ILE 9 N -2.73 1.09 -0.61 4.99 1.09 -1.26 -5.10 121.20 118.66 2ctd s ILE 9 Ca -0.04 -0.54 -0.07 0.00 -1.10 0.00 0.00 60.65 58.91 2ctd s ILE 9 Cb -0.00 -0.94 0.16 0.00 -1.06 0.00 0.00 42.46 40.62 2ctd s ILE 9 CO -0.04 0.32 0.47 0.00 -0.10 0.00 0.00 174.94 175.59 2ctd s ARG 10 N 0.04 2.72 -0.11 2.79 1.70 -1.26 -5.03 118.95 119.81 2ctd s ARG 10 Ca -0.02 -2.28 -0.23 0.00 -0.47 0.00 0.00 55.73 52.73 2ctd s ARG 10 Cb -0.09 -3.92 0.05 0.00 -0.57 0.00 0.00 34.95 30.43 2ctd s ARG 10 CO 0.01 -1.20 0.56 0.21 -1.08 0.00 0.00 175.30 173.80 2ctd s LYS 11 N 0.42 0.82 -0.25 3.89 2.20 -1.26 -5.17 119.74 120.39 2ctd s LYS 11 Ca 0.14 0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 55.87 2ctd s LYS 11 Cb -0.20 0.39 0.07 0.00 -1.51 0.00 0.00 37.83 36.58 2ctd s LYS 11 CO -0.04 -0.20 0.72 -2.00 -0.36 0.00 0.00 175.35 173.47 2ctd s GLU 12 N -0.63 0.86 0.96 4.03 2.12 -1.26 -5.17 118.70 119.60 2ctd s GLU 12 Ca -0.07 0.92 -0.12 0.00 0.36 0.00 0.00 54.97 56.06 2ctd s GLU 12 Cb -0.03 0.42 0.17 0.00 0.26 0.00 0.00 34.13 34.95 2ctd s GLU 12 CO 0.05 -0.12 1.09 -1.25 -0.54 0.00 0.00 175.26 174.49 2ctd s PRO 13 N 0.22 0.74 0.06 4.30 0.04 -1.26 -5.06 135.00 134.04 2ctd s PRO 13 Ca -0.01 0.63 -0.01 0.00 0.04 0.00 0.00 61.00 61.65 2ctd s PRO 13 Cb -0.04 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.75 2ctd s PRO 13 CO 0.02 -2.55 0.06 -0.35 0.04 0.00 0.00 177.00 174.22 2ctd n PRO 14 N -4.07 -1.13 -0.27 0.56 -0.04 -1.26 -4.81 135.00 123.98 2ctd n PRO 14 Ca 0.06 -0.09 0.33 0.00 -0.04 0.00 0.00 63.50 63.76 2ctd n PRO 14 Cb 0.56 -0.08 0.68 0.00 -0.04 0.00 0.00 33.50 34.62 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 -1.58 0.22 -2.43 0.52 3.04 -2.03 -3.40 116.25 110.59 2ctd h VAL 15 Ca -0.02 0.00 -0.53 0.00 -1.01 0.00 0.00 66.70 65.14 2ctd h VAL 15 Cb 0.06 0.28 -0.14 0.00 -2.01 0.00 0.00 31.29 29.49 2ctd h VAL 15 CO 0.01 0.00 -0.65 -0.72 -1.01 0.00 0.00 177.57 175.21 2ctd s TYR 16 N -4.72 2.11 0.36 3.17 -0.85 -1.26 -5.03 117.35 111.13 2ctd s TYR 16 Ca -0.04 -0.73 0.07 0.00 -0.52 0.00 0.00 57.07 55.85 2ctd s TYR 16 Cb 0.20 -1.30 -0.01 0.00 0.38 0.00 0.00 41.96 41.23 2ctd s TYR 16 CO 0.68 0.28 0.45 0.00 -1.52 0.00 0.00 175.55 175.44 2ctd s ALA 17 N -2.98 4.22 -0.01 9.51 0.00 -1.26 -4.87 121.76 126.38 2ctd s ALA 17 Ca 0.32 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 2ctd s ALA 17 Cb 0.06 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 2ctd s ALA 17 CO 0.14 -0.10 2.37 0.00 0.00 0.00 0.00 175.76 178.17 2ctd n ALA 18 N -1.64 4.56 0.00 0.00 0.00 -1.26 -3.74 120.51 118.44 2ctd n ALA 18 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2ctd n ALA 18 Cb 0.59 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.71 0.00 3.19 0.00 0.00 -1.26 -5.17 105.19 103.66 2ctd n GLY 19 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 0.43 0.18 1.61 0.01 -1.25 -5.06 113.70 109.63 2ctd s SER 20 Ca 0.00 -1.29 -0.14 0.00 1.31 0.00 0.00 55.95 55.83 2ctd s SER 20 Cb 0.00 0.29 0.15 0.00 0.21 0.00 0.00 66.02 66.68 2ctd s SER 20 CO 0.00 -0.75 1.71 -0.07 0.41 0.00 0.00 173.24 174.54 2ctd h LEU 21 N 2.71 -0.08 -0.96 2.44 3.38 -2.01 -1.48 115.31 119.31 2ctd h LEU 21 Ca -0.36 0.09 0.30 0.00 0.09 0.00 0.00 57.88 58.01 2ctd h LEU 21 Cb 1.22 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.95 2ctd h LEU 21 CO 0.57 -0.01 0.29 -0.33 0.09 0.00 0.00 178.44 179.06 2ctd h GLU 22 N 0.17 0.10 -0.20 1.13 3.07 -1.96 0.42 114.58 117.32 2ctd h GLU 22 Ca 0.23 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.10 2ctd h GLU 22 Cb 0.31 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 2ctd h GLU 22 CO -0.33 0.07 0.04 1.49 -1.40 0.00 0.00 179.01 178.88 2ctd h GLU 23 N 0.10 0.12 0.74 2.33 4.57 -1.52 -1.24 114.58 119.69 2ctd h GLU 23 Ca 0.67 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.81 2ctd h GLU 23 Cb 1.51 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.07 2ctd h GLU 23 CO -0.77 0.08 -0.49 1.96 -1.18 0.00 0.00 179.01 178.61 2ctd h GLN 24 N 0.13 -1.13 -0.78 1.92 4.20 -0.19 -2.75 115.11 116.52 2ctd h GLN 24 Ca 0.09 0.08 0.18 0.00 0.06 0.00 0.00 58.65 59.06 2ctd h GLN 24 Cb 0.08 0.26 -0.12 0.00 0.30 0.00 0.00 27.48 28.00 2ctd h GLN 24 CO -0.12 -0.75 0.14 -1.49 -0.67 0.00 0.00 178.83 175.95 2ctd h TRP 25 N -1.17 0.20 -0.78 2.96 6.55 -1.27 0.10 115.95 122.54 2ctd h TRP 25 Ca -0.10 0.05 0.17 0.00 0.95 0.00 0.00 58.89 59.96 2ctd h TRP 25 Cb 0.95 0.03 -0.11 0.00 -0.86 0.00 0.00 29.16 29.17 2ctd h TRP 25 CO -0.13 -0.16 0.24 -0.92 -1.05 0.00 0.00 178.44 176.42 2ctd h TYR 26 N 0.21 0.38 0.28 0.49 3.20 -0.94 -1.91 116.97 118.67 2ctd h TYR 26 Ca 0.45 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.36 2ctd h TYR 26 Cb 0.81 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 2ctd h TYR 26 CO -0.31 -0.07 -0.48 -0.07 -1.64 0.00 0.00 178.16 175.60 2ctd h LEU 27 N 0.32 -1.37 -1.77 2.82 3.38 -0.56 -0.34 115.31 117.78 2ctd h LEU 27 Ca 0.45 0.13 0.50 0.00 0.09 0.00 0.00 57.88 59.05 2ctd h LEU 27 Cb 0.79 0.49 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 2ctd h LEU 27 CO -0.51 -0.58 1.35 -0.08 0.09 0.00 0.00 178.44 178.71 2ctd h GLU 28 N -0.82 0.00 0.00 1.13 4.81 -1.28 0.43 114.58 118.85 2ctd h GLU 28 Ca -0.02 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2ctd h GLU 28 Cb 0.78 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2ctd h GLU 28 CO -0.18 0.00 -0.21 0.82 -0.73 0.00 0.00 179.01 178.71 2ctd h ILE 29 N 0.00 1.00 0.00 2.32 2.04 -1.02 -0.64 117.51 121.20 2ctd h ILE 29 Ca 0.82 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2ctd h ILE 29 Cb 3.51 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 41.54 2ctd h ILE 29 CO -0.01 0.34 0.00 1.33 0.00 0.00 0.00 178.15 179.81 2ctd n VAL 30 N -4.64 1.35 -0.12 1.67 0.24 0.11 0.12 118.33 117.07 2ctd n VAL 30 Ca -0.10 0.51 -0.21 0.00 -2.04 0.00 0.00 64.34 62.50 2ctd n VAL 30 Cb 0.35 -1.46 -0.10 0.00 -1.47 0.00 0.00 33.84 31.15 2ctd n VAL 30 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2ctd n ASP 31 N -1.87 2.00 -0.07 -1.34 -0.08 0.80 -4.84 116.55 111.15 2ctd n ASP 31 Ca 0.00 0.05 -0.14 0.00 -1.51 0.00 0.00 54.79 53.19 2ctd n ASP 31 Cb 0.07 -0.53 -0.05 0.00 2.34 0.00 0.00 41.12 42.95 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 -3.59 0.35 0.00 -0.67 4.76 -0.26 -5.06 118.16 113.70 2ctd n LYS 32 Ca -0.46 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 2ctd n LYS 32 Cb 0.91 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.01 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 2.03 1.01 3.37 0.72 0.00 0.33 -4.99 105.19 107.67 2ctd n GLY 33 Ca -0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.47 -0.10 1.61 1.04 -1.26 -4.25 113.70 110.28 2ctd s SER 34 Ca 0.00 0.82 -0.20 0.00 0.48 0.00 0.00 55.95 57.06 2ctd s SER 34 Cb 0.00 0.85 -0.04 0.00 0.10 0.00 0.00 66.02 66.93 2ctd s SER 34 CO 0.00 -0.24 0.55 0.54 0.98 0.00 0.00 173.24 175.07 2ctd s VAL 35 N -0.07 5.14 0.39 5.02 0.11 0.76 -4.45 120.40 127.29 2ctd s VAL 35 Ca -0.03 1.11 -0.17 0.00 -2.93 0.00 0.00 61.98 59.97 2ctd s VAL 35 Cb -0.03 -3.89 -0.09 0.00 -1.53 0.00 0.00 36.38 30.83 2ctd s VAL 35 CO 0.02 0.31 0.85 -0.55 -3.33 0.00 0.00 175.10 172.39 2ctd s SER 36 N 0.64 6.80 -0.24 3.54 0.15 -1.26 0.34 113.70 123.67 2ctd s SER 36 Ca 0.30 1.45 -0.28 0.00 0.70 0.00 0.00 55.95 58.12 2ctd s SER 36 Cb -0.16 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2ctd s SER 36 CO 0.13 -0.33 2.03 0.00 1.20 0.00 0.00 173.24 176.27 2ctd n PRO 38 N 8.51 0.49 -0.10 0.00 -0.04 -1.26 0.73 135.00 143.34 2ctd n PRO 38 Ca 0.26 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 2ctd n PRO 38 Cb 0.45 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.84 1.47 -0.08 0.52 -1.04 -1.26 -4.80 114.28 108.25 2ctd n THR 39 Ca 0.08 -0.02 -0.08 0.00 -2.04 0.00 0.00 64.05 61.99 2ctd n THR 39 Cb 0.04 -2.15 -0.12 0.00 -1.82 0.00 0.00 70.33 66.27 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 -2.61 -6.41 -0.08 0.00 6.02 0.22 -4.93 117.38 109.60 2ctd n GLN 41 Ca -0.26 0.69 -0.14 0.00 -0.01 0.00 0.00 57.00 57.28 2ctd n GLN 41 Cb 1.01 -5.29 -0.06 0.00 1.02 0.00 0.00 30.24 26.92 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 1.82 -2.74 -1.58 0.00 -1.26 -4.91 120.51 107.41 2ctd n ALA 42 Ca -0.03 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.61 2ctd n ALA 42 Cb 0.56 0.22 -0.14 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.30 0.63 0.43 0.00 -7.23 -1.26 -5.00 120.40 105.67 2ctd s VAL 43 Ca -0.21 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 2ctd s VAL 43 Cb 0.07 -0.58 0.03 0.00 0.56 0.00 0.00 36.38 36.46 2ctd s VAL 43 CO 0.31 0.00 0.25 0.61 -0.31 0.00 0.00 175.10 175.97 2ctd n GLY 44 N 2.41 3.02 2.79 2.32 0.00 -1.26 -2.11 105.19 112.35 2ctd n GLY 44 Ca -0.16 -2.29 -0.16 0.00 0.00 0.00 0.00 46.02 43.41 2ctd n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ctd s ARG 45 N -3.71 0.10 0.64 1.61 6.06 0.15 -4.89 118.95 118.91 2ctd s ARG 45 Ca 0.19 0.14 0.15 0.00 -2.50 0.00 0.00 55.73 53.71 2ctd s ARG 45 Cb -0.01 -0.34 0.80 0.00 0.06 0.00 0.00 34.95 35.45 2ctd s ARG 45 CO 0.12 -0.16 1.44 1.57 -2.50 0.00 0.00 175.30 175.77 2ctd h LYS 46 N 7.29 0.00 -4.58 5.12 5.09 -1.87 0.22 116.57 127.84 2ctd h LYS 46 Ca -0.44 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 59.98 2ctd h LYS 46 Cb 1.13 0.00 -0.13 0.00 0.10 0.00 0.00 32.23 33.33 2ctd h LYS 46 CO 0.48 0.00 -0.48 0.95 -2.09 0.00 0.00 179.45 178.30 2ctd s THR 47 N -3.99 0.00 -0.10 0.07 -4.23 -1.26 -4.39 115.64 101.74 2ctd s THR 47 Ca -0.02 -1.91 -0.26 0.00 -1.18 0.00 0.00 61.69 58.32 2ctd s THR 47 Cb 0.04 -2.50 -0.27 0.00 1.34 0.00 0.00 72.50 71.12 2ctd s THR 47 CO 0.13 0.00 0.87 0.40 -0.54 0.00 0.00 174.62 175.48 2ctd h ILE 48 N 2.35 1.67 -0.22 2.99 2.04 -1.95 -3.29 117.51 121.10 2ctd h ILE 48 Ca -0.30 -2.27 0.02 0.00 1.00 0.00 0.00 64.86 63.30 2ctd h ILE 48 Cb 1.24 3.18 -0.03 0.00 -0.74 0.00 0.00 36.82 40.48 2ctd h ILE 48 CO 0.44 0.61 -0.13 -0.62 0.00 0.00 0.00 178.15 178.45 2ctd n GLU 49 N -4.48 -0.10 -0.11 2.37 -0.58 -1.26 -0.04 120.64 116.45 2ctd n GLU 49 Ca -0.11 0.81 -0.05 0.00 -0.42 0.00 0.00 57.16 57.39 2ctd n GLU 49 Cb 0.56 -1.21 0.01 0.00 -0.57 0.00 0.00 31.44 30.23 2ctd n GLU 49 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2ctd h GLY 50 N 0.00 0.25 0.03 0.62 0.00 -1.97 -2.38 103.07 99.62 2ctd h GLY 50 Ca 0.04 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.57 2ctd h GLY 50 CO -0.21 -0.15 -0.31 -2.00 0.00 0.00 0.00 176.54 173.87 2ctd h LEU 51 N -0.02 -0.98 -0.81 3.11 5.85 -0.52 -1.51 115.31 120.43 2ctd h LEU 51 Ca 0.19 0.16 0.16 0.00 0.84 0.00 0.00 57.88 59.23 2ctd h LEU 51 Cb 0.30 0.44 -0.15 0.00 0.37 0.00 0.00 40.66 41.62 2ctd h LEU 51 CO -0.40 -0.33 -0.23 0.11 -0.34 0.00 0.00 178.44 177.25 2ctd h LYS 52 N -0.31 -0.01 0.00 1.25 1.57 -0.12 1.47 116.57 120.41 2ctd h LYS 52 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2ctd h LYS 52 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2ctd h LYS 52 CO -0.43 -0.01 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.16 2ctd h LYS 53 N -0.01 0.00 0.01 3.15 1.63 -1.12 0.32 116.57 120.54 2ctd h LYS 53 Ca 0.38 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.18 2ctd h LYS 53 Cb 0.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2ctd h LYS 53 CO -0.84 0.06 -0.00 1.25 -3.45 0.00 0.00 179.45 176.47 2ctd h HIS 54 N 0.00 -0.01 -0.02 1.91 2.76 0.25 -3.34 115.15 116.70 2ctd h HIS 54 Ca -0.00 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 2ctd h HIS 54 Cb 0.15 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 2ctd h HIS 54 CO 0.00 0.74 -0.33 0.00 -1.30 0.00 0.00 177.93 177.04 2ctd h MET 55 N -0.98 0.04 -0.88 5.26 -0.00 -0.27 0.30 114.93 118.41 2ctd h MET 55 Ca -0.00 -0.02 0.18 0.00 -0.00 0.00 0.00 59.70 59.86 2ctd h MET 55 Cb 0.75 -0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.24 2ctd h MET 55 CO 0.00 0.37 0.43 0.93 -0.00 0.00 0.00 176.91 178.64 2ctd h GLU 56 N 0.04 0.53 0.00 -0.10 4.39 -0.49 -1.92 114.58 117.03 2ctd h GLU 56 Ca 0.00 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2ctd h GLU 56 Cb 0.60 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2ctd h GLU 56 CO 0.04 0.35 -1.89 0.27 -1.16 0.00 0.00 179.01 176.62 2ctd n ASN 57 N -4.93 0.85 -1.21 1.42 6.94 -1.11 -4.35 115.26 112.87 2ctd n ASN 57 Ca 0.19 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.72 2ctd n ASN 57 Cb 0.53 1.66 0.08 0.00 -2.36 0.00 0.00 39.78 39.69 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ctd s LYS 59 N -1.21 3.67 0.18 0.00 -0.14 -0.77 -4.69 119.74 116.76 2ctd s LYS 59 Ca 0.17 0.61 0.09 0.00 -1.36 0.00 0.00 55.97 55.48 2ctd s LYS 59 Cb 0.14 -3.94 -0.04 0.00 -1.68 0.00 0.00 37.83 32.30 2ctd s LYS 59 CO 0.04 -1.46 -0.19 -1.14 -0.76 0.00 0.00 175.35 171.84 2ctd s GLN 60 N 4.62 1.34 -0.04 1.68 0.74 -1.26 -5.13 119.66 121.61 2ctd s GLN 60 Ca 0.50 -1.45 0.06 0.00 0.05 0.00 0.00 55.36 54.52 2ctd s GLN 60 Cb -0.08 -1.42 -0.01 0.00 1.10 0.00 0.00 33.01 32.59 2ctd s GLN 60 CO 0.32 0.29 -0.23 -2.00 -0.55 0.00 0.00 175.29 173.12 2ctd s GLU 61 N -2.86 2.08 0.50 1.67 2.56 -1.26 -5.05 118.70 116.34 2ctd s GLU 61 Ca 0.18 -0.81 0.01 0.00 0.00 0.00 0.00 54.97 54.34 2ctd s GLU 61 Cb -0.06 -1.88 -0.01 0.00 2.00 0.00 0.00 34.13 34.18 2ctd s GLU 61 CO 0.08 0.41 0.02 0.00 -0.56 0.00 0.00 175.26 175.21 2ctd s MET 62 N -0.31 2.17 0.34 4.30 0.23 -1.26 -4.95 119.30 119.82 2ctd s MET 62 Ca 0.03 -2.38 0.06 0.00 -1.03 0.00 0.00 55.69 52.36 2ctd s MET 62 Cb -0.11 -1.37 -0.02 0.00 -1.53 0.00 0.00 34.83 31.80 2ctd s MET 62 CO 0.01 -0.40 0.20 1.19 -2.03 0.00 0.00 175.02 173.99 2ctd n PHE 63 N -1.22 -0.32 -3.27 3.16 3.01 -1.25 -5.10 117.46 112.46 2ctd n PHE 63 Ca -0.18 -2.52 0.01 0.00 1.01 0.00 0.00 57.45 55.78 2ctd n PHE 63 Cb 0.67 0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 40.25 2ctd n PHE 63 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2ctd s THR 64 N -3.12 -0.95 0.97 4.37 2.01 -1.26 -4.10 115.64 113.56 2ctd s THR 64 Ca 0.28 -0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 2ctd s THR 64 Cb 0.01 -0.97 0.05 0.00 0.01 0.00 0.00 72.50 71.61 2ctd s THR 64 CO 0.20 -0.01 0.43 0.00 -0.69 0.00 0.00 174.62 174.55 2ctd n HIS 66 N -3.75 0.00 0.04 0.00 8.25 -1.26 -3.48 115.22 115.03 2ctd n HIS 66 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.45 2ctd n HIS 66 Cb 0.54 -0.76 -0.05 0.00 1.12 0.00 0.00 29.99 30.85 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 -0.77 0.00 4.41 3.86 -2.00 -3.36 115.15 117.28 2ctd h HIS 67 Ca -0.44 0.02 -0.42 0.00 -1.16 0.00 0.00 60.37 58.38 2ctd h HIS 67 Cb 1.71 0.33 -0.07 0.00 1.06 0.00 0.00 27.41 30.44 2ctd h HIS 67 CO 0.02 -0.29 -2.48 0.00 0.86 0.00 0.00 177.93 176.04 2ctd n GLY 69 N 1.83 1.40 3.81 0.00 0.00 -1.23 -5.06 105.19 105.94 2ctd n GLY 69 Ca -0.49 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 3.64 -0.15 1.61 2.36 -1.26 -4.71 119.74 121.02 2ctd s LYS 70 Ca 0.00 1.21 -0.01 0.00 -2.55 0.00 0.00 55.97 54.61 2ctd s LYS 70 Cb 0.00 -2.08 0.04 0.00 -1.05 0.00 0.00 37.83 34.74 2ctd s LYS 70 CO 0.00 -0.55 -0.02 -0.65 1.55 0.00 0.00 175.35 175.68 2ctd s GLN 71 N -3.75 1.07 0.28 4.03 -0.21 -1.26 -1.54 119.66 118.28 2ctd s GLN 71 Ca 0.64 -0.35 0.05 0.00 0.02 0.00 0.00 55.36 55.72 2ctd s GLN 71 Cb -0.15 -1.79 -0.06 0.00 1.00 0.00 0.00 33.01 32.01 2ctd s GLN 71 CO 0.29 -0.45 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.49 2ctd s LEU 72 N 1.76 2.34 -0.14 2.90 1.43 -1.26 -5.07 118.68 120.65 2ctd s LEU 72 Ca 0.01 -1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 51.75 2ctd s LEU 72 Cb -0.15 -0.49 -0.09 0.00 0.03 0.00 0.00 46.19 45.49 2ctd s LEU 72 CO -0.07 -0.45 0.12 0.03 0.23 0.00 0.00 176.35 176.21 2ctd h ARG 73 N 2.28 0.00 -6.58 1.70 -0.00 -1.94 -3.33 114.38 106.50 2ctd h ARG 73 Ca -0.40 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.51 2ctd h ARG 73 Cb 1.23 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 31.12 2ctd h ARG 73 CO 0.67 0.36 0.85 -1.54 0.00 0.00 0.00 179.97 180.31 2ctd s SER 74 N -5.96 6.60 0.19 7.04 1.04 -1.26 -4.78 113.70 116.57 2ctd s SER 74 Ca -0.13 0.38 -0.23 0.00 0.48 0.00 0.00 55.95 56.44 2ctd s SER 74 Cb 0.01 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.70 2ctd s SER 74 CO 0.30 -1.21 1.55 0.25 0.98 0.00 0.00 173.24 175.11 2ctd h LEU 75 N 11.08 -1.67 0.00 2.42 5.85 -1.92 -2.05 115.31 129.01 2ctd h LEU 75 Ca -0.23 0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2ctd h LEU 75 Cb 1.06 0.80 0.00 0.00 0.37 0.00 0.00 40.66 42.90 2ctd h LEU 75 CO 1.11 -0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 2ctd n ALA 76 N -3.33 0.00 -0.27 1.25 0.00 -1.26 -1.30 120.51 115.60 2ctd n ALA 76 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 2ctd n ALA 76 Cb 0.35 0.48 -0.04 0.00 0.00 0.00 0.00 19.45 20.23 2ctd n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctd n GLY 77 N -1.00 -1.63 0.22 0.00 0.00 -0.78 0.65 105.19 102.64 2ctd n GLY 77 Ca 0.00 0.77 -0.09 0.00 0.00 0.00 0.00 46.02 46.71 2ctd n GLY 77 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ctd h MET 78 N 0.00 -0.18 0.00 1.61 -1.53 -1.13 0.11 114.93 113.81 2ctd h MET 78 Ca 0.14 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.41 2ctd h MET 78 Cb 0.30 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.39 2ctd h MET 78 CO -0.63 -0.12 0.61 0.87 0.14 0.00 0.00 176.91 177.78 2ctd h LYS 79 N -0.19 0.00 0.12 0.39 1.79 0.16 0.55 116.57 119.38 2ctd h LYS 79 Ca 0.12 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.22 2ctd h LYS 79 Cb 0.36 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2ctd h LYS 79 CO -0.30 0.00 -2.01 0.98 -1.08 0.00 0.00 179.45 177.04 2ctd n TYR 80 N -2.63 1.22 0.13 -1.35 4.19 0.34 -4.02 117.16 115.03 2ctd n TYR 80 Ca -0.01 0.26 0.20 0.00 3.31 0.00 0.00 57.90 61.65 2ctd n TYR 80 Cb 0.64 -1.16 0.76 0.00 0.49 0.00 0.00 39.34 40.07 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 0.06 0.00 -0.07 2.98 2.07 0.60 0.59 115.15 121.39 2ctd h HIS 81 Ca -0.43 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 56.87 2ctd h HIS 81 Cb 2.03 0.00 0.01 0.00 2.57 0.00 0.00 27.41 32.02 2ctd h HIS 81 CO 0.08 0.00 -0.81 0.28 -3.07 0.00 0.00 177.93 174.40 2ctd h VAL 82 N 0.00 1.31 -0.10 6.12 2.07 -1.65 -3.03 116.25 120.98 2ctd h VAL 82 Ca 0.17 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.62 2ctd h VAL 82 Cb 0.98 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2ctd h VAL 82 CO -0.00 0.64 0.00 0.23 0.02 0.00 0.00 177.57 178.46 2ctd n MET 83 N -3.99 1.68 0.00 1.57 2.00 0.18 0.50 117.12 119.06 2ctd n MET 83 Ca -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 57.70 57.05 2ctd n MET 83 Cb 0.77 -1.63 0.00 0.00 0.00 0.00 0.00 33.22 32.36 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 0.11 1.67 0.00 3.04 0.00 -1.07 -4.20 120.51 120.06 2ctd n ALA 84 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ctd n ALA 84 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.32 1.41 0.00 0.00 3.02 -1.15 -4.73 115.26 112.49 2ctd n ASN 85 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2ctd n ASN 85 Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2ctd n ASN 85 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2ctd n HIS 86 N -2.49 0.00 -1.04 3.10 8.25 -0.21 -4.38 115.22 118.45 2ctd n HIS 86 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 2ctd n HIS 86 Cb 0.34 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 2ctd n HIS 86 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2ctd n ASN 87 N -2.01 5.90 -3.84 0.41 3.02 0.18 -4.82 115.26 114.09 2ctd n ASN 87 Ca 0.00 -2.81 -0.12 0.00 -0.03 0.00 0.00 54.58 51.62 2ctd n ASN 87 Cb 0.00 -1.24 -0.12 0.00 -0.61 0.00 0.00 39.78 37.81 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ctd s SER 88 N 1.11 -0.09 -0.12 6.41 0.15 -1.26 -4.53 113.70 115.36 2ctd s SER 88 Ca 0.46 0.14 -0.06 0.00 0.70 0.00 0.00 55.95 57.18 2ctd s SER 88 Cb 0.27 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 2ctd s SER 88 CO -0.07 -0.12 0.11 -0.76 1.20 0.00 0.00 173.24 173.59 2ctd s LEU 89 N -0.29 4.17 0.00 3.45 1.02 -1.26 -4.75 118.68 121.02 2ctd s LEU 89 Ca -0.04 0.36 0.16 0.00 0.02 0.00 0.00 54.13 54.63 2ctd s LEU 89 Cb -0.03 -2.01 0.92 0.00 0.02 0.00 0.00 46.19 45.08 2ctd s LEU 89 CO 0.00 0.37 1.35 -0.81 0.02 0.00 0.00 176.35 177.29 2ctd n PRO 90 N 2.26 0.46 -2.02 1.29 -0.04 -1.26 -4.77 135.00 130.92 2ctd n PRO 90 Ca -0.19 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 2ctd n PRO 90 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2ctd n PRO 90 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ctd s SER 91 N -2.06 6.68 0.00 3.54 1.04 -1.26 -4.77 113.70 116.87 2ctd s SER 91 Ca 0.22 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.91 2ctd s SER 91 Cb 0.11 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2ctd s SER 91 CO 0.19 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2ctd n GLY 92 N 4.06 0.45 3.57 7.32 0.00 -1.26 -5.06 105.19 114.26 2ctd n GLY 92 Ca 0.17 0.49 -0.27 0.00 0.00 0.00 0.00 46.02 46.40 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 2.81 2.52 0.15 1.61 0.04 -1.26 -4.93 135.00 135.93 2ctd s PRO 93 Ca 0.00 -0.73 -0.33 0.00 0.04 0.00 0.00 61.00 59.98 2ctd s PRO 93 Cb 0.00 -5.15 -0.13 0.00 0.04 0.00 0.00 34.50 29.26 2ctd s PRO 93 CO 0.00 -3.69 1.66 0.43 0.04 0.00 0.00 177.00 175.44 2ctd n SER 94 N 14.20 3.41 -4.49 6.66 7.64 -1.26 -4.95 113.62 134.83 2ctd n SER 94 Ca 0.43 1.06 -0.41 0.00 1.01 0.00 0.00 58.87 60.96 2ctd n SER 94 Cb 0.47 -1.47 -0.11 0.00 -1.01 0.00 0.00 64.21 62.09 2ctd n SER 94 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ctd s SER 95 N 1.34 5.96 0.00 6.43 1.04 -1.26 -5.30 113.70 121.91 2ctd s SER 95 Ca 0.79 -0.58 0.25 0.00 0.48 0.00 0.00 55.95 56.90 2ctd s SER 95 Cb -0.62 -2.11 0.49 0.00 0.10 0.00 0.00 66.02 63.88 2ctd s SER 95 CO 0.37 -0.28 1.43 0.61 0.98 0.00 0.00 173.24 176.35