#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x64 s SER 2 N 0.00 7.08 -0.09 1.61 0.01 -1.26 -4.96 113.70 116.08 1x64 s SER 2 Ca 0.00 2.23 -0.24 0.00 1.31 0.00 0.00 55.95 59.26 1x64 s SER 2 Cb 0.00 -2.61 -0.20 0.00 0.21 0.00 0.00 66.02 63.42 1x64 s SER 2 CO 0.00 -0.38 0.81 0.28 0.41 0.00 0.00 173.24 174.36 1x64 h SER 3 N 5.28 -0.04 -1.99 2.44 0.02 -2.14 -3.43 113.55 113.69 1x64 h SER 3 Ca -0.44 -0.66 -0.57 0.00 -0.84 0.00 0.00 61.79 59.28 1x64 h SER 3 Cb 1.21 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1x64 h SER 3 CO 0.75 0.71 1.50 -0.83 -1.14 0.00 0.00 176.83 177.82 1x64 s GLY 4 N -3.74 0.36 0.13 -3.77 0.00 -1.26 -4.92 107.32 94.12 1x64 s GLY 4 Ca -0.15 0.59 -0.13 0.00 0.00 0.00 0.00 44.72 45.03 1x64 s GLY 4 CO 0.57 3.82 0.34 -0.56 0.00 0.00 0.00 173.10 177.27 1x64 s SER 5 N 8.80 -0.09 0.09 1.64 0.01 -1.26 -5.18 113.70 117.71 1x64 s SER 5 Ca 0.98 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 57.77 1x64 s SER 5 Cb -0.29 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 1x64 s SER 5 CO 0.33 -0.86 -0.17 -0.94 0.41 0.00 0.00 173.24 172.01 1x64 s SER 6 N -2.86 2.10 0.16 2.44 1.04 -1.26 -5.15 113.70 110.17 1x64 s SER 6 Ca 0.07 -0.67 0.04 0.00 0.48 0.00 0.00 55.95 55.87 1x64 s SER 6 Cb 0.02 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1x64 s SER 6 CO -0.08 -0.02 0.19 -0.83 0.98 0.00 0.00 173.24 173.47 1x64 s GLY 7 N -1.89 1.70 0.01 7.32 0.00 -1.26 -5.12 107.32 108.08 1x64 s GLY 7 Ca 0.03 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.61 1x64 s GLY 7 CO 0.03 -1.17 -0.07 0.54 0.00 0.00 0.00 173.10 172.44 1x64 s VAL 8 N -1.76 0.55 0.02 1.40 0.11 -1.26 -5.14 120.40 114.33 1x64 s VAL 8 Ca 0.32 -0.51 -0.22 0.00 -2.93 0.00 0.00 61.98 58.64 1x64 s VAL 8 Cb -0.10 -0.51 -0.06 0.00 -1.53 0.00 0.00 36.38 34.18 1x64 s VAL 8 CO 0.25 0.01 0.65 0.00 -3.33 0.00 0.00 175.10 172.68 1x64 s ARG 9 N -0.56 4.38 -0.19 1.54 1.70 -1.26 -5.06 118.95 119.50 1x64 s ARG 9 Ca -0.01 0.86 0.01 0.00 -0.47 0.00 0.00 55.73 56.12 1x64 s ARG 9 Cb -0.05 -3.34 0.04 0.00 -0.57 0.00 0.00 34.95 31.03 1x64 s ARG 9 CO 0.00 0.36 -0.11 0.00 -1.08 0.00 0.00 175.30 174.47 1x64 s ALA 10 N -0.23 1.98 1.10 7.88 0.00 -1.26 -5.13 121.76 126.10 1x64 s ALA 10 Ca 0.33 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 1x64 s ALA 10 Cb -0.19 -1.24 0.24 0.00 0.00 0.00 0.00 23.12 21.92 1x64 s ALA 10 CO 0.19 -0.74 1.10 -1.25 0.00 0.00 0.00 175.76 175.07 1x64 s PRO 11 N 1.41 -0.37 -0.03 0.00 0.04 -1.26 -5.07 135.00 129.71 1x64 s PRO 11 Ca -0.00 0.24 0.04 0.00 0.04 0.00 0.00 61.00 61.32 1x64 s PRO 11 Cb -0.16 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 1x64 s PRO 11 CO -0.09 -3.21 -0.15 0.14 0.04 0.00 0.00 177.00 173.73 1x64 s VAL 12 N -2.98 1.25 -0.01 -0.36 -7.23 -1.26 -5.13 120.40 104.68 1x64 s VAL 12 Ca 0.68 -0.63 -0.21 0.00 -1.81 0.00 0.00 61.98 60.01 1x64 s VAL 12 Cb -0.15 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 1x64 s VAL 12 CO 0.57 0.36 0.61 0.42 -0.31 0.00 0.00 175.10 176.75 1x64 s THR 13 N -0.04 4.92 0.21 5.32 -4.23 -1.26 -5.06 115.64 115.50 1x64 s THR 13 Ca -0.01 1.27 -0.10 0.00 -1.18 0.00 0.00 61.69 61.67 1x64 s THR 13 Cb -0.09 -3.95 -0.01 0.00 1.34 0.00 0.00 72.50 69.79 1x64 s THR 13 CO 0.01 0.40 0.37 -0.54 -0.54 0.00 0.00 174.62 174.32 1x64 s LYS 14 N -0.07 1.37 0.00 3.99 1.02 -1.26 -5.18 119.74 119.62 1x64 s LYS 14 Ca 0.32 -1.27 0.03 0.00 0.02 0.00 0.00 55.97 55.07 1x64 s LYS 14 Cb -0.18 0.41 -0.01 0.00 -0.52 0.00 0.00 37.83 37.53 1x64 s LYS 14 CO 0.17 -0.54 -0.09 0.14 -0.92 0.00 0.00 175.35 174.12 1x64 s VAL 15 N -4.02 0.70 0.09 3.17 -7.23 -1.26 -5.13 120.40 106.72 1x64 s VAL 15 Ca 0.23 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 1x64 s VAL 15 Cb 0.02 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.29 1x64 s VAL 15 CO 0.06 0.10 1.16 -1.38 -0.31 0.00 0.00 175.10 174.74 1x64 s HIS 16 N -0.40 3.48 0.00 2.82 -3.43 -1.26 -5.00 115.29 111.50 1x64 s HIS 16 Ca 0.02 1.40 0.00 0.00 -0.80 0.00 0.00 55.06 55.67 1x64 s HIS 16 Cb -0.04 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.73 1x64 s HIS 16 CO -0.00 -1.05 0.00 0.41 -2.00 0.00 0.00 174.74 172.10 1x64 n GLY 17 N 2.87 0.38 0.00 -1.38 0.00 -1.26 -5.09 105.19 100.72 1x64 n GLY 17 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1x64 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x64 n GLY 18 N 3.64 0.60 3.32 -0.02 0.00 -1.26 -5.00 105.19 106.47 1x64 n GLY 18 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1x64 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 19 N -2.00 -1.05 0.00 4.61 0.00 -1.26 -5.14 121.76 116.92 1x64 s ALA 19 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1x64 s ALA 19 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1x64 s ALA 19 CO 0.00 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1x64 n GLY 20 N 2.79 1.03 3.05 0.00 0.00 -1.26 -5.02 105.19 105.78 1x64 n GLY 20 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1x64 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x64 s SER 21 N -1.00 3.91 -0.12 1.61 1.04 -1.26 -5.10 113.70 112.77 1x64 s SER 21 Ca 0.00 -1.13 -0.23 0.00 0.48 0.00 0.00 55.95 55.07 1x64 s SER 21 Cb 0.00 -1.43 -0.03 0.00 0.10 0.00 0.00 66.02 64.67 1x64 s SER 21 CO 0.00 -0.15 0.71 0.00 0.98 0.00 0.00 173.24 174.78 1x64 s ALA 22 N 1.23 3.43 0.12 5.32 0.00 -1.26 -4.97 121.76 125.64 1x64 s ALA 22 Ca -0.04 0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.71 1x64 s ALA 22 Cb -0.18 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1x64 s ALA 22 CO -0.07 -0.35 1.70 1.96 0.00 0.00 0.00 175.76 179.00 1x64 h GLN 23 N 7.07 -0.07 -5.91 0.00 4.20 -2.06 -3.44 115.11 114.91 1x64 h GLN 23 Ca -0.36 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.78 1x64 h GLN 23 Cb 1.17 0.02 -0.14 0.00 0.30 0.00 0.00 27.48 28.82 1x64 h GLN 23 CO 0.78 -0.05 -0.71 -0.98 -0.67 0.00 0.00 178.83 177.21 1x64 s ARG 24 N -6.18 1.69 0.09 1.46 1.70 -1.26 -5.16 118.95 111.29 1x64 s ARG 24 Ca -0.14 -1.83 0.05 0.00 -0.47 0.00 0.00 55.73 53.34 1x64 s ARG 24 Cb 0.09 -1.58 -0.03 0.00 -0.57 0.00 0.00 34.95 32.86 1x64 s ARG 24 CO 0.68 0.18 -0.13 0.00 -1.08 0.00 0.00 175.30 174.95 1x64 s MET 25 N -3.60 0.88 0.47 3.89 0.23 -1.26 -5.14 119.30 114.76 1x64 s MET 25 Ca 0.30 -1.09 -0.23 0.00 -1.03 0.00 0.00 55.69 53.65 1x64 s MET 25 Cb 0.00 -0.75 -0.07 0.00 -1.53 0.00 0.00 34.83 32.48 1x64 s MET 25 CO 0.14 0.15 1.16 -1.25 -2.03 0.00 0.00 175.02 173.19 1x64 s PRO 26 N -2.31 3.73 -0.27 3.16 0.04 -1.26 -4.77 135.00 133.32 1x64 s PRO 26 Ca 0.03 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 1x64 s PRO 26 Cb -0.06 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1x64 s PRO 26 CO 0.02 -0.57 0.17 -1.17 0.04 0.00 0.00 177.00 175.48 1x64 s LEU 27 N -3.08 3.94 -0.01 -3.56 1.98 -1.26 -1.71 118.68 114.98 1x64 s LEU 27 Ca 0.64 -0.03 -0.36 0.00 -2.89 0.00 0.00 54.13 51.50 1x64 s LEU 27 Cb -0.28 -2.09 -0.14 0.00 0.66 0.00 0.00 46.19 44.34 1x64 s LEU 27 CO 0.34 -0.03 1.64 0.00 -1.89 0.00 0.00 176.35 176.41 1x64 n ASP 29 N 4.47 0.24 -0.10 0.00 8.00 -1.19 -0.23 116.55 127.73 1x64 n ASP 29 Ca 0.21 -1.18 -0.15 0.00 0.71 0.00 0.00 54.79 54.37 1x64 n ASP 29 Cb 0.24 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.28 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1x64 n LYS 30 N -0.77 0.54 -0.27 -1.24 3.00 -1.26 -4.64 118.16 113.52 1x64 n LYS 30 Ca 0.21 0.30 0.07 0.00 -0.00 0.00 0.00 58.31 58.88 1x64 n LYS 30 Cb 0.14 -1.51 0.19 0.00 0.00 0.00 0.00 35.03 33.84 1x64 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x64 n GLY 32 N -0.06 -0.14 3.06 0.00 0.00 0.68 -4.91 105.19 103.83 1x64 n GLY 32 Ca 0.15 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 33 N -4.05 2.69 0.11 1.61 0.01 -1.24 -4.85 113.70 107.98 1x64 s SER 33 Ca 0.10 -0.49 -0.24 0.00 1.31 0.00 0.00 55.95 56.63 1x64 s SER 33 Cb -0.06 -1.21 -0.14 0.00 0.21 0.00 0.00 66.02 64.83 1x64 s SER 33 CO 0.88 -0.00 0.51 0.61 0.41 0.00 0.00 173.24 175.65 1x64 n GLY 34 N 4.44 -1.02 3.57 3.44 0.00 -1.26 -3.30 105.19 111.06 1x64 n GLY 34 Ca -0.18 0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1x64 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x64 s ILE 35 N -0.55 4.24 -0.26 -0.61 1.01 -0.69 -4.85 121.20 119.48 1x64 s ILE 35 Ca 0.54 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 1x64 s ILE 35 Cb -0.78 -2.87 0.15 0.00 0.01 0.00 0.00 42.46 38.97 1x64 s ILE 35 CO 0.43 0.50 0.49 0.54 0.00 0.00 0.00 174.94 176.89 1x64 s VAL 36 N 0.19 -0.78 0.00 2.92 0.11 -1.26 -4.38 120.40 117.20 1x64 s VAL 36 Ca 0.00 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1x64 s VAL 36 Cb -0.13 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1x64 s VAL 36 CO 0.02 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 1x64 n GLY 37 N 5.40 3.41 3.38 6.54 0.00 -1.26 -5.03 105.19 117.63 1x64 n GLY 37 Ca -0.04 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 1x64 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 38 N 0.00 -1.33 0.05 4.61 0.00 -1.26 -5.17 121.76 118.65 1x64 s ALA 38 Ca 0.00 1.78 -0.00 0.00 0.00 0.00 0.00 51.96 53.74 1x64 s ALA 38 Cb 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1x64 s ALA 38 CO 0.00 -0.47 -0.04 0.54 0.00 0.00 0.00 175.76 175.80 1x64 s VAL 39 N 1.88 0.25 -0.30 0.00 0.11 -1.26 -4.35 120.40 116.73 1x64 s VAL 39 Ca -0.07 -1.52 0.00 0.00 -2.93 0.00 0.00 61.98 57.46 1x64 s VAL 39 Cb -0.09 -1.12 0.09 0.00 -1.53 0.00 0.00 36.38 33.73 1x64 s VAL 39 CO -0.15 -0.81 0.06 -0.69 -3.33 0.00 0.00 175.10 170.18 1x64 s VAL 40 N -3.05 1.27 -0.23 2.04 1.01 0.24 -4.83 120.40 116.84 1x64 s VAL 40 Ca -0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 61.98 60.38 1x64 s VAL 40 Cb 0.02 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1x64 s VAL 40 CO -0.06 -0.55 0.02 -0.75 0.00 0.00 0.00 175.10 173.76 1x64 s LYS 41 N 1.44 3.56 0.00 2.72 2.20 -1.26 0.14 119.74 128.53 1x64 s LYS 41 Ca 0.07 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1x64 s LYS 41 Cb -0.18 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1x64 s LYS 41 CO -0.18 -0.17 0.03 0.00 -0.36 0.00 0.00 175.35 174.68 1x64 n ALA 42 N 4.79 0.00 -1.12 3.13 0.00 -1.18 -4.95 120.51 121.18 1x64 n ALA 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x64 n ALA 42 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1x64 n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x64 n ARG 43 N -0.49 0.00 -0.00 0.00 1.74 -1.26 -4.93 116.66 111.71 1x64 n ARG 43 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1x64 n ARG 43 Cb 0.00 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1x64 n ASP 44 N -1.21 4.51 -4.94 0.55 5.75 -1.26 -5.05 116.55 114.91 1x64 n ASP 44 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.53 1x64 n ASP 44 Cb 0.00 1.08 0.04 0.00 -1.03 0.00 0.00 41.12 41.21 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1x64 s LYS 45 N -2.15 2.74 0.04 0.11 1.02 -1.26 -5.11 119.74 115.13 1x64 s LYS 45 Ca -0.01 -0.27 0.05 0.00 0.02 0.00 0.00 55.97 55.76 1x64 s LYS 45 Cb 0.01 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1x64 s LYS 45 CO 0.09 -0.73 -0.14 0.71 -0.92 0.00 0.00 175.35 174.36 1x64 s TYR 46 N -2.93 1.20 -0.08 3.18 1.51 -1.26 -3.09 117.35 115.88 1x64 s TYR 46 Ca 0.55 -0.35 -0.09 0.00 -1.01 0.00 0.00 57.07 56.17 1x64 s TYR 46 Cb -0.10 -0.71 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1x64 s TYR 46 CO 0.43 0.03 0.24 1.03 -1.11 0.00 0.00 175.55 176.17 1x64 s ARG 47 N -1.10 0.35 0.99 -0.62 1.81 0.12 -3.20 118.95 117.29 1x64 s ARG 47 Ca 0.01 0.22 -0.14 0.00 -1.72 0.00 0.00 55.73 54.11 1x64 s ARG 47 Cb -0.08 0.16 0.07 0.00 -0.45 0.00 0.00 34.95 34.65 1x64 s ARG 47 CO 0.01 -0.06 0.41 0.72 -0.68 0.00 0.00 175.30 175.71 1x64 n HIS 48 N 2.63 -1.26 0.47 -0.53 8.25 -1.26 0.83 115.22 124.35 1x64 n HIS 48 Ca -0.15 0.22 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 1x64 n HIS 48 Cb 0.58 -1.76 0.35 0.00 1.12 0.00 0.00 29.99 30.28 1x64 n HIS 48 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1x64 n PRO 49 N -2.08 0.05 -0.01 -0.41 -0.04 -1.26 -2.22 135.00 129.03 1x64 n PRO 49 Ca 0.06 0.30 -0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1x64 n PRO 49 Cb 0.55 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1x64 n PRO 49 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x64 n GLU 50 N -1.68 1.97 0.07 0.54 0.28 -1.26 -4.66 120.64 115.90 1x64 n GLU 50 Ca 0.03 -0.01 -0.09 0.00 -0.16 0.00 0.00 57.16 56.93 1x64 n GLU 50 Cb 0.18 -1.06 0.04 0.00 1.43 0.00 0.00 31.44 32.03 1x64 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x64 n PHE 52 N -3.80 1.19 -3.91 0.00 7.35 -0.94 -4.84 117.46 112.51 1x64 n PHE 52 Ca -0.04 0.22 -0.10 0.00 -0.76 0.00 0.00 57.45 56.77 1x64 n PHE 52 Cb 0.72 -2.54 -0.00 0.00 0.35 0.00 0.00 39.48 38.00 1x64 n PHE 52 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x64 s VAL 53 N 10.31 0.00 0.98 -2.13 -7.23 -1.26 -2.86 120.40 118.21 1x64 s VAL 53 Ca 1.12 -1.21 -0.12 0.00 -1.81 0.00 0.00 61.98 59.96 1x64 s VAL 53 Cb -0.64 -2.69 0.18 0.00 0.56 0.00 0.00 36.38 33.79 1x64 s VAL 53 CO 0.37 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.26 1x64 n ALA 55 N -4.09 3.96 -0.08 0.00 0.00 -1.17 -2.90 120.51 116.22 1x64 n ALA 55 Ca 0.05 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 1x64 n ALA 55 Cb 0.57 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 1x64 n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x64 n ASP 56 N -1.36 2.67 -0.00 0.00 -0.08 -1.26 -4.73 116.55 111.79 1x64 n ASP 56 Ca 0.03 -0.09 0.01 0.00 -1.51 0.00 0.00 54.79 53.23 1x64 n ASP 56 Cb 0.24 -0.24 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x64 n ASN 58 N -1.25 -4.23 -4.85 0.00 5.15 -1.14 -4.88 115.26 104.05 1x64 n ASN 58 Ca 0.00 -0.53 -0.36 0.00 -0.60 0.00 0.00 54.58 53.09 1x64 n ASN 58 Cb 0.05 -4.74 -0.06 0.00 -0.53 0.00 0.00 39.78 34.50 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1x64 s LEU 59 N -6.48 4.38 -0.18 1.20 2.96 -1.26 -4.39 118.68 114.91 1x64 s LEU 59 Ca 0.30 0.99 -0.34 0.00 -0.22 0.00 0.00 54.13 54.85 1x64 s LEU 59 Cb -0.13 -3.04 -0.11 0.00 0.50 0.00 0.00 46.19 43.41 1x64 s LEU 59 CO 0.68 0.17 1.98 -3.20 -1.32 0.00 0.00 176.35 174.66 1x64 n ASN 60 N 1.07 3.06 -0.05 3.68 2.85 -1.26 -0.90 115.26 123.71 1x64 n ASN 60 Ca -0.08 0.76 -0.01 0.00 -0.11 0.00 0.00 54.58 55.14 1x64 n ASN 60 Cb 0.52 -1.35 -0.15 0.00 1.24 0.00 0.00 39.78 40.04 1x64 n ASN 60 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x64 n LEU 61 N 7.89 0.17 -0.05 1.20 4.77 -1.14 -3.97 117.00 125.87 1x64 n LEU 61 Ca 0.28 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.32 1x64 n LEU 61 Cb 0.29 0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1x64 n LEU 61 CO 0.74 0.27 0.43 1.17 -1.33 0.00 0.00 177.39 178.67 1x64 n LYS 62 N -2.62 -0.05 -0.03 3.23 3.00 -1.26 -1.53 118.16 118.91 1x64 n LYS 62 Ca -0.19 0.92 -0.16 0.00 -0.00 0.00 0.00 58.31 58.88 1x64 n LYS 62 Cb 0.91 -1.38 -0.06 0.00 0.00 0.00 0.00 35.03 34.51 1x64 n LYS 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1x64 h GLN 63 N 0.00 0.78 -7.54 1.64 3.07 -1.95 -3.46 115.11 107.65 1x64 h GLN 63 Ca 0.02 -0.61 -0.42 0.00 0.09 0.00 0.00 58.65 57.73 1x64 h GLN 63 Cb 0.05 0.12 0.19 0.00 0.08 0.00 0.00 27.48 27.92 1x64 h GLN 63 CO -0.10 1.22 0.21 0.15 0.09 0.00 0.00 178.83 180.40 1x64 s LYS 64 N -3.81 -1.01 -0.48 0.06 1.02 -0.58 -4.96 119.74 109.98 1x64 s LYS 64 Ca -0.10 -0.29 -0.27 0.00 0.02 0.00 0.00 55.97 55.33 1x64 s LYS 64 Cb 0.09 -1.64 0.03 0.00 -0.52 0.00 0.00 37.83 35.79 1x64 s LYS 64 CO 0.90 -3.53 1.01 0.20 -0.92 0.00 0.00 175.35 173.01 1x64 s GLY 65 N -4.28 1.40 0.65 -3.33 0.00 -1.26 -4.79 107.32 95.70 1x64 s GLY 65 Ca 0.73 -0.73 -0.11 0.00 0.00 0.00 0.00 44.72 44.62 1x64 s GLY 65 CO 0.55 2.18 1.05 -2.52 0.00 0.00 0.00 173.10 174.36 1x64 s TYR 66 N 4.05 3.46 0.18 1.90 -0.85 -1.26 -2.98 117.35 121.86 1x64 s TYR 66 Ca 0.40 1.29 -0.05 0.00 -0.52 0.00 0.00 57.07 58.19 1x64 s TYR 66 Cb -0.09 -2.80 -0.03 0.00 0.38 0.00 0.00 41.96 39.42 1x64 s TYR 66 CO 0.28 -0.89 0.22 -0.06 -1.52 0.00 0.00 175.55 173.57 1x64 s PHE 67 N -3.17 0.75 -0.28 -3.49 0.40 -0.87 -4.91 117.98 106.41 1x64 s PHE 67 Ca 0.56 -1.06 -0.02 0.00 -0.60 0.00 0.00 56.93 55.80 1x64 s PHE 67 Cb -0.12 -0.27 0.09 0.00 0.51 0.00 0.00 43.02 43.23 1x64 s PHE 67 CO 0.54 -0.70 0.10 -0.06 0.70 0.00 0.00 175.22 175.80 1x64 s PHE 68 N -4.06 1.07 -0.19 0.36 0.08 -1.26 -3.03 117.98 110.96 1x64 s PHE 68 Ca 0.27 -1.25 0.01 0.00 0.12 0.00 0.00 56.93 56.07 1x64 s PHE 68 Cb 0.05 -1.29 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 1x64 s PHE 68 CO 0.06 -0.80 -0.11 0.08 -0.10 0.00 0.00 175.22 174.35 1x64 s VAL 69 N 1.84 1.61 -1.16 -0.44 1.01 0.12 -4.75 120.40 118.63 1x64 s VAL 69 Ca 0.07 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1x64 s VAL 69 Cb -0.17 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1x64 s VAL 69 CO -0.26 0.21 1.01 -0.62 0.00 0.00 0.00 175.10 175.43 1x64 n GLU 70 N 4.70 -6.74 -1.55 2.72 1.02 -1.26 -1.86 120.64 117.67 1x64 n GLU 70 Ca -0.15 0.74 -0.16 0.00 -0.02 0.00 0.00 57.16 57.58 1x64 n GLU 70 Cb 0.47 -5.50 -0.06 0.00 -0.02 0.00 0.00 31.44 26.33 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x64 n GLY 71 N -1.64 1.36 3.19 0.62 0.00 -1.26 -4.98 105.19 102.48 1x64 n GLY 71 Ca -0.07 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 1x64 n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x64 s GLU 72 N -3.49 0.88 0.33 1.61 2.56 -0.78 -5.13 118.70 114.67 1x64 s GLU 72 Ca 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 54.97 53.84 1x64 s GLU 72 Cb 0.00 -0.82 -0.06 0.00 2.00 0.00 0.00 34.13 35.25 1x64 s GLU 72 CO 0.00 0.17 0.66 -0.51 -0.56 0.00 0.00 175.26 175.02 1x64 s LEU 73 N -1.99 3.98 0.16 2.70 1.43 -1.26 0.13 118.68 123.83 1x64 s LEU 73 Ca 0.02 0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 53.87 1x64 s LEU 73 Cb -0.08 -3.79 0.05 0.00 0.03 0.00 0.00 46.19 42.40 1x64 s LEU 73 CO 0.02 -0.27 0.54 -0.31 0.23 0.00 0.00 176.35 176.57 1x64 s TYR 74 N -2.16 -0.36 0.52 0.29 2.02 -1.17 -3.05 117.35 113.44 1x64 s TYR 74 Ca 0.48 0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 57.20 1x64 s TYR 74 Cb -0.11 0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 41.88 1x64 s TYR 74 CO 0.28 -0.85 0.85 0.00 -1.57 0.00 0.00 175.55 174.27 1x64 h GLU 76 N 0.09 0.31 0.00 0.00 4.81 -1.89 0.79 114.58 118.70 1x64 h GLU 76 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1x64 h GLU 76 Cb 1.20 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1x64 h GLU 76 CO 0.62 0.21 0.00 2.41 -0.73 0.00 0.00 179.01 181.52 1x64 n THR 77 N -5.08 0.00 0.22 0.32 -1.04 -1.26 -1.27 114.28 106.17 1x64 n THR 77 Ca 0.29 1.36 -0.15 0.00 -2.04 0.00 0.00 64.05 63.51 1x64 n THR 77 Cb 0.89 -2.36 -0.08 0.00 -1.82 0.00 0.00 70.33 66.96 1x64 n THR 77 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1x64 h HIS 78 N 0.00 -0.95 -0.69 -1.42 3.86 -1.82 -2.82 115.15 111.31 1x64 h HIS 78 Ca 0.00 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.33 1x64 h HIS 78 Cb 0.00 0.37 -0.13 0.00 1.06 0.00 0.00 27.41 28.71 1x64 h HIS 78 CO 0.20 -0.49 -0.35 0.00 0.86 0.00 0.00 177.93 178.14 1x64 h ALA 79 N -0.25 0.01 -0.96 2.45 0.00 0.46 0.33 119.26 121.30 1x64 h ALA 79 Ca -0.02 0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.34 1x64 h ALA 79 Cb 0.66 0.84 -0.13 0.00 0.00 0.00 0.00 17.79 19.15 1x64 h ALA 79 CO -0.06 -0.66 0.50 0.00 0.00 0.00 0.00 179.25 179.02 1x64 h ARG 80 N -0.12 0.42 -0.72 0.00 3.08 -0.94 0.41 114.38 116.50 1x64 h ARG 80 Ca 0.26 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1x64 h ARG 80 Cb 0.56 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1x64 h ARG 80 CO -0.76 0.28 0.22 0.00 -1.07 0.00 0.00 179.97 178.64 1x64 h ALA 81 N 1.76 0.94 0.39 0.04 0.00 -0.17 0.40 119.26 122.62 1x64 h ALA 81 Ca 0.63 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1x64 h ALA 81 Cb 1.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1x64 h ALA 81 CO -0.54 0.63 -0.19 0.00 0.00 0.00 0.00 179.25 179.15 1x64 h ARG 82 N 1.06 -0.51 -0.65 0.00 3.08 0.25 -3.19 114.38 114.43 1x64 h ARG 82 Ca 0.23 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1x64 h ARG 82 Cb 0.31 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1x64 h ARG 82 CO -0.01 -0.27 0.00 -2.37 -1.07 0.00 0.00 179.97 176.25 1x64 n THR 83 N -5.13 0.14 -1.47 2.04 5.66 0.57 -4.88 114.28 111.21 1x64 n THR 83 Ca -0.08 -0.08 -0.48 0.00 -3.05 0.00 0.00 64.05 60.36 1x64 n THR 83 Cb 0.24 -0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 68.65 1x64 n THR 83 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1x64 n SER 84 N -0.10 2.19 -1.76 1.09 2.88 0.14 -2.50 113.62 115.55 1x64 n SER 84 Ca 0.02 0.32 -0.01 0.00 -1.33 0.00 0.00 58.87 57.86 1x64 n SER 84 Cb 0.22 -1.30 0.01 0.00 -0.75 0.00 0.00 64.21 62.38 1x64 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x64 n GLY 85 N 6.43 0.02 3.67 0.46 0.00 -1.26 -4.98 105.19 109.53 1x64 n GLY 85 Ca 0.41 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1x64 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x64 s PRO 86 N -3.10 4.23 0.28 1.61 0.04 -1.04 -4.91 135.00 132.11 1x64 s PRO 86 Ca 0.03 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.11 1x64 s PRO 86 Cb -0.00 -3.77 0.69 0.00 0.04 0.00 0.00 34.50 31.46 1x64 s PRO 86 CO 0.12 -0.72 1.68 1.03 0.04 0.00 0.00 177.00 179.16 1x64 h SER 87 N 8.60 0.23 -0.82 6.66 0.87 -1.93 -1.24 113.55 125.91 1x64 h SER 87 Ca -0.36 0.16 0.15 0.00 -1.23 0.00 0.00 61.79 60.50 1x64 h SER 87 Cb 1.16 0.17 -0.14 0.00 -0.44 0.00 0.00 62.40 63.15 1x64 h SER 87 CO 0.94 -0.04 -0.26 -1.20 -0.53 0.00 0.00 176.83 175.74 1x64 n SER 88 N -5.09 -0.42 0.00 6.23 7.64 -1.26 -5.32 113.62 115.40 1x64 n SER 88 Ca 0.21 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.51 1x64 n SER 88 Cb 0.64 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1x64 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64