#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 1.18 0.26 1.61 0.15 -1.26 -5.17 113.70 110.47 1x64 s SER 2 Ca 0.00 -0.87 -0.15 0.00 0.70 0.00 0.00 55.95 55.63 1x64 s SER 2 Cb 0.00 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1x64 s SER 2 CO 0.00 -0.36 0.56 -0.44 1.20 0.00 0.00 173.24 174.20 1x64 s SER 3 N -2.60 -0.12 0.11 5.45 0.01 -1.26 -5.12 113.70 110.16 1x64 s SER 3 Ca 0.06 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1x64 s SER 3 Cb 0.00 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1x64 s SER 3 CO -0.02 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.01 1x64 n GLY 4 N -0.41 -4.43 2.60 3.44 0.00 -1.26 -5.04 105.19 100.09 1x64 n GLY 4 Ca -0.02 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 1x64 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x64 s SER 5 N -0.37 3.28 -0.03 1.61 1.04 -1.26 -5.13 113.70 112.84 1x64 s SER 5 Ca 0.00 -1.14 -0.09 0.00 0.48 0.00 0.00 55.95 55.20 1x64 s SER 5 Cb 0.00 -0.42 -0.05 0.00 0.10 0.00 0.00 66.02 65.66 1x64 s SER 5 CO 0.00 -0.40 0.27 -0.44 0.98 0.00 0.00 173.24 173.64 1x64 s SER 6 N 2.02 6.55 0.00 7.02 0.01 -1.26 -5.09 113.70 122.95 1x64 s SER 6 Ca 0.07 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1x64 s SER 6 Cb -0.16 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1x64 s SER 6 CO -0.27 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1x64 n GLY 7 N 1.58 0.78 3.35 3.44 0.00 -1.26 -5.15 105.19 107.93 1x64 n GLY 7 Ca -0.15 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1x64 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x64 s VAL 8 N 3.82 0.05 -0.14 1.61 -7.23 -1.26 -5.16 120.40 112.09 1x64 s VAL 8 Ca 0.00 -0.38 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 1x64 s VAL 8 Cb 0.00 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.91 1x64 s VAL 8 CO 0.00 -0.21 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.26 1x64 s ARG 9 N -2.97 3.13 0.01 4.82 1.81 -1.26 -5.12 118.95 119.37 1x64 s ARG 9 Ca -0.02 -0.81 0.06 0.00 -1.72 0.00 0.00 55.73 53.24 1x64 s ARG 9 Cb 0.00 -2.49 -0.03 0.00 -0.45 0.00 0.00 34.95 31.98 1x64 s ARG 9 CO -0.06 0.06 -0.18 0.00 -0.68 0.00 0.00 175.30 174.44 1x64 s ALA 10 N 0.67 2.56 0.26 2.13 0.00 -1.26 -5.11 121.76 121.00 1x64 s ALA 10 Ca -0.09 -1.14 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 1x64 s ALA 10 Cb -0.16 -0.77 -0.09 0.00 0.00 0.00 0.00 23.12 22.10 1x64 s ALA 10 CO 0.02 0.56 1.26 -1.25 0.00 0.00 0.00 175.76 176.35 1x64 s PRO 11 N -1.18 4.43 0.23 0.00 0.04 -1.26 -4.97 135.00 132.29 1x64 s PRO 11 Ca 0.13 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1x64 s PRO 11 Cb -0.10 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.18 1x64 s PRO 11 CO 0.03 -0.13 1.46 0.14 0.04 0.00 0.00 177.00 178.54 1x64 s VAL 12 N -0.55 2.67 -0.06 -0.36 -7.23 -1.26 -4.97 120.40 108.63 1x64 s VAL 12 Ca 0.52 0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 61.05 1x64 s VAL 12 Cb -0.36 -3.35 0.04 0.00 0.56 0.00 0.00 36.38 33.27 1x64 s VAL 12 CO 0.43 0.08 0.41 0.28 -0.31 0.00 0.00 175.10 175.99 1x64 s THR 13 N 0.23 0.03 0.35 5.32 -1.32 -1.26 -5.14 115.64 113.84 1x64 s THR 13 Ca 0.61 -0.25 -0.28 0.00 -1.21 0.00 0.00 61.69 60.57 1x64 s THR 13 Cb -0.42 -0.68 -0.12 0.00 -1.51 0.00 0.00 72.50 69.77 1x64 s THR 13 CO 0.41 -0.14 1.24 0.29 -2.21 0.00 0.00 174.62 174.21 1x64 n LYS 14 N 1.68 1.99 -4.86 7.08 5.02 -1.26 -5.00 118.16 122.80 1x64 n LYS 14 Ca -0.19 0.70 -0.27 0.00 -2.02 0.00 0.00 58.31 56.53 1x64 n LYS 14 Cb 0.56 -2.26 -0.17 0.00 -0.02 0.00 0.00 35.03 33.15 1x64 n LYS 14 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x64 s VAL 15 N -1.11 1.51 -0.03 -0.18 1.01 -1.26 -5.08 120.40 115.26 1x64 s VAL 15 Ca 0.57 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1x64 s VAL 15 Cb -0.58 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1x64 s VAL 15 CO 0.61 0.44 -0.15 -2.28 0.00 0.00 0.00 175.10 173.73 1x64 s HIS 16 N 0.38 1.42 0.00 5.22 2.46 -1.26 -5.02 115.29 118.48 1x64 s HIS 16 Ca -0.13 -0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.05 1x64 s HIS 16 Cb -0.15 -0.95 0.00 0.00 -0.13 0.00 0.00 32.58 31.35 1x64 s HIS 16 CO 0.05 -0.10 0.00 0.41 -2.47 0.00 0.00 174.74 172.63 1x64 n GLY 17 N 3.03 0.44 0.00 1.59 0.00 -1.26 -5.07 105.19 103.92 1x64 n GLY 17 Ca -0.17 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 1.64 3.78 -0.02 0.00 -1.26 -5.18 105.19 104.14 1x64 n GLY 18 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -0.72 0.00 4.61 0.00 -1.26 -5.09 121.76 119.30 1x64 s ALA 19 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1x64 s ALA 19 Cb 0.00 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1x64 s ALA 19 CO 0.00 -0.98 0.76 0.41 0.00 0.00 0.00 175.76 175.95 1x64 n GLY 20 N -0.50 -3.17 3.85 0.00 0.00 -1.26 -4.64 105.19 99.47 1x64 n GLY 20 Ca -0.06 0.46 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 1x64 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 21 N -2.67 5.87 -0.17 1.61 0.01 -1.26 -5.09 113.70 112.01 1x64 s SER 21 Ca 0.00 1.49 -0.13 0.00 1.31 0.00 0.00 55.95 58.63 1x64 s SER 21 Cb 0.00 -2.47 0.05 0.00 0.21 0.00 0.00 66.02 63.81 1x64 s SER 21 CO 0.00 -1.11 0.43 0.00 0.41 0.00 0.00 173.24 172.97 1x64 s ALA 22 N -3.13 -1.08 -0.18 1.44 0.00 -1.26 -4.97 121.76 112.57 1x64 s ALA 22 Ca 0.56 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 1x64 s ALA 22 Cb -0.12 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 1x64 s ALA 22 CO 0.54 -0.24 -0.12 -0.65 0.00 0.00 0.00 175.76 175.30 1x64 s GLN 23 N 0.77 3.24 -0.40 0.00 -0.21 -1.26 -5.09 119.66 116.71 1x64 s GLN 23 Ca -0.04 -0.72 -0.12 0.00 0.02 0.00 0.00 55.36 54.50 1x64 s GLN 23 Cb -0.05 -2.75 0.05 0.00 1.00 0.00 0.00 33.01 31.26 1x64 s GLN 23 CO -0.06 -0.09 0.26 0.50 -2.12 0.00 0.00 175.29 173.78 1x64 s ARG 24 N 1.10 2.80 -0.11 2.91 3.52 -1.26 -5.04 118.95 122.87 1x64 s ARG 24 Ca 0.00 -1.22 -0.30 0.00 -0.13 0.00 0.00 55.73 54.08 1x64 s ARG 24 Cb -0.14 -3.83 0.11 0.00 -1.56 0.00 0.00 34.95 29.53 1x64 s ARG 24 CO -0.04 -0.82 0.93 0.00 -0.81 0.00 0.00 175.30 174.56 1x64 s MET 25 N 1.54 0.70 0.41 5.12 0.23 -1.26 -5.05 119.30 120.99 1x64 s MET 25 Ca 0.03 0.06 -0.25 0.00 -1.03 0.00 0.00 55.69 54.50 1x64 s MET 25 Cb -0.21 0.33 -0.08 0.00 -1.53 0.00 0.00 34.83 33.34 1x64 s MET 25 CO 0.06 -0.24 1.19 -1.25 -2.03 0.00 0.00 175.02 172.74 1x64 s PRO 26 N -1.55 4.01 -0.25 3.16 0.04 -1.26 -4.88 135.00 134.26 1x64 s PRO 26 Ca -0.02 1.87 -0.08 0.00 0.04 0.00 0.00 61.00 62.82 1x64 s PRO 26 Cb -0.01 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1x64 s PRO 26 CO 0.00 -0.37 0.09 -1.17 0.04 0.00 0.00 177.00 175.60 1x64 s LEU 27 N -2.55 3.54 -0.31 -3.56 1.98 -1.26 -2.62 118.68 113.91 1x64 s LEU 27 Ca 0.58 -0.18 -0.35 0.00 -2.89 0.00 0.00 54.13 51.30 1x64 s LEU 27 Cb -0.31 -1.96 -0.11 0.00 0.66 0.00 0.00 46.19 44.47 1x64 s LEU 27 CO 0.39 -0.04 2.14 0.00 -1.89 0.00 0.00 176.35 176.96 1x64 n ASP 29 N 9.56 0.00 -0.10 0.00 -0.08 -1.25 0.15 116.55 124.83 1x64 n ASP 29 Ca 0.38 -0.49 -0.13 0.00 -1.51 0.00 0.00 54.79 53.03 1x64 n ASP 29 Cb 0.26 -0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.66 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1x64 n LYS 30 N -1.00 0.52 -0.25 -0.67 3.00 -1.26 -4.61 118.16 113.89 1x64 n LYS 30 Ca 0.12 0.35 0.07 0.00 -0.00 0.00 0.00 58.31 58.85 1x64 n LYS 30 Cb 0.06 -1.55 0.20 0.00 0.00 0.00 0.00 35.03 33.73 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 0.61 -0.20 3.04 0.00 0.00 0.40 -4.92 105.19 104.13 1x64 n GLY 32 Ca 0.15 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 33 N -4.09 2.01 0.28 1.61 0.15 -1.24 -4.87 113.70 107.56 1x64 s SER 33 Ca 0.22 -0.34 -0.21 0.00 0.70 0.00 0.00 55.95 56.32 1x64 s SER 33 Cb -0.13 -0.92 -0.14 0.00 -1.71 0.00 0.00 66.02 63.12 1x64 s SER 33 CO 1.01 0.04 0.23 0.61 1.20 0.00 0.00 173.24 176.32 1x64 n GLY 34 N 3.87 -2.05 3.27 9.45 0.00 -1.26 -3.20 105.19 115.27 1x64 n GLY 34 Ca -0.22 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.23 3.18 -0.12 -0.61 1.01 -1.08 -4.84 121.20 117.52 1x64 s ILE 35 Ca 0.53 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 1x64 s ILE 35 Cb -0.66 -2.51 0.06 0.00 0.01 0.00 0.00 42.46 39.36 1x64 s ILE 35 CO 0.52 0.34 0.19 -0.69 0.00 0.00 0.00 174.94 175.30 1x64 s VAL 36 N 1.42 -0.29 0.00 2.92 1.01 -1.26 -4.62 120.40 119.57 1x64 s VAL 36 Ca 0.04 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1x64 s VAL 36 Cb -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.83 1x64 s VAL 36 CO -0.04 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1x64 n GLY 37 N 5.33 3.06 3.04 4.51 0.00 -1.26 -5.02 105.19 114.86 1x64 n GLY 37 Ca -0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.54 0.06 4.61 0.00 -1.26 -5.16 121.76 119.46 1x64 s ALA 38 Ca 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 1x64 s ALA 38 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1x64 s ALA 38 CO 0.00 -0.21 -0.00 0.54 0.00 0.00 0.00 175.76 176.09 1x64 s VAL 39 N 1.30 0.21 -0.29 0.00 0.11 -1.26 -4.36 120.40 116.11 1x64 s VAL 39 Ca -0.09 -1.74 -0.01 0.00 -2.93 0.00 0.00 61.98 57.21 1x64 s VAL 39 Cb -0.11 -1.52 0.09 0.00 -1.53 0.00 0.00 36.38 33.32 1x64 s VAL 39 CO -0.08 -0.94 0.08 -0.69 -3.33 0.00 0.00 175.10 170.14 1x64 s VAL 40 N -3.92 0.81 -0.25 2.04 1.01 0.28 -4.83 120.40 115.53 1x64 s VAL 40 Ca 0.07 -1.23 -0.08 0.00 0.00 0.00 0.00 61.98 60.74 1x64 s VAL 40 Cb 0.08 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1x64 s VAL 40 CO -0.10 -0.58 0.08 -0.75 0.00 0.00 0.00 175.10 173.76 1x64 s LYS 41 N 1.67 3.69 0.00 2.72 2.20 -1.26 -0.25 119.74 128.50 1x64 s LYS 41 Ca 0.07 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1x64 s LYS 41 Cb -0.17 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1x64 s LYS 41 CO -0.22 -0.19 0.08 0.00 -0.36 0.00 0.00 175.35 174.66 1x64 n ALA 42 N 4.94 0.00 -0.76 3.13 0.00 -1.20 -4.93 120.51 121.69 1x64 n ALA 42 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 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 -2.13 0.00 0.00 0.00 177.50 175.37 1x64 n ARG 43 N -0.50 0.00 0.00 0.00 0.63 -1.26 -4.94 116.66 110.59 1x64 n ARG 43 Ca 0.00 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1x64 n ARG 43 Cb 0.00 -0.15 0.00 0.00 0.45 0.00 0.00 32.46 32.76 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1x64 n ASP 44 N -1.68 4.76 -4.86 6.15 9.92 -1.26 -5.06 116.55 124.52 1x64 n ASP 44 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 1x64 n ASP 44 Cb 0.00 0.83 0.08 0.00 -0.64 0.00 0.00 41.12 41.39 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1x64 s LYS 45 N -1.92 2.06 0.04 -1.24 1.02 -1.26 -5.09 119.74 113.35 1x64 s LYS 45 Ca 0.00 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.68 1x64 s LYS 45 Cb 0.00 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1x64 s LYS 45 CO 0.00 -1.32 -0.10 0.71 -0.92 0.00 0.00 175.35 173.71 1x64 s TYR 46 N -3.27 0.91 -0.07 3.18 1.51 -1.26 -3.22 117.35 115.13 1x64 s TYR 46 Ca 0.61 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 56.18 1x64 s TYR 46 Cb -0.10 -0.54 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1x64 s TYR 46 CO 0.45 -0.01 0.28 1.03 -1.11 0.00 0.00 175.55 176.19 1x64 s ARG 47 N -1.24 0.44 0.97 -0.62 1.81 0.65 -3.89 118.95 117.08 1x64 s ARG 47 Ca -0.03 0.16 -0.12 0.00 -1.72 0.00 0.00 55.73 54.02 1x64 s ARG 47 Cb -0.08 0.20 0.12 0.00 -0.45 0.00 0.00 34.95 34.74 1x64 s ARG 47 CO 0.01 -0.09 0.79 0.72 -0.68 0.00 0.00 175.30 176.05 1x64 n HIS 48 N 2.34 -0.36 0.48 -0.53 8.25 -1.26 1.00 115.22 125.13 1x64 n HIS 48 Ca -0.16 0.26 0.07 0.00 -0.26 0.00 0.00 57.72 57.63 1x64 n HIS 48 Cb 0.57 -1.86 0.32 0.00 1.12 0.00 0.00 29.99 30.14 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 -3.28 0.02 -0.00 -0.41 -0.04 -1.26 -2.01 135.00 128.01 1x64 n PRO 49 Ca 0.08 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1x64 n PRO 49 Cb 0.53 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.58 1.33 0.08 0.54 0.28 -1.26 -4.67 120.64 115.36 1x64 n GLU 50 Ca 0.03 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.87 1x64 n GLU 50 Cb 0.17 -1.06 -0.08 0.00 1.43 0.00 0.00 31.44 31.90 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 -3.67 1.24 -3.89 0.00 7.35 -0.85 -4.84 117.46 112.79 1x64 n PHE 52 Ca -0.08 0.20 -0.08 0.00 -0.76 0.00 0.00 57.45 56.73 1x64 n PHE 52 Cb 0.91 -2.56 -0.02 0.00 0.35 0.00 0.00 39.48 38.17 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 10.43 0.00 0.89 -2.13 -7.23 -1.26 -2.95 120.40 118.15 1x64 s VAL 53 Ca 1.10 -1.11 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1x64 s VAL 53 Cb -0.59 -2.32 0.13 0.00 0.56 0.00 0.00 36.38 34.16 1x64 s VAL 53 CO 0.36 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.25 1x64 n ALA 55 N -3.87 2.49 -0.03 0.00 0.00 -1.19 -2.78 120.51 115.14 1x64 n ALA 55 Ca 0.07 -0.65 -0.04 0.00 0.00 0.00 0.00 53.44 52.82 1x64 n ALA 55 Cb 0.55 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1x64 n ALA 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x64 n ASP 56 N 1.08 3.42 -0.00 0.00 9.92 -1.26 -4.80 116.55 124.90 1x64 n ASP 56 Ca 0.11 -0.03 0.01 0.00 -0.53 0.00 0.00 54.79 54.36 1x64 n ASP 56 Cb 0.49 -0.09 -0.02 0.00 -0.64 0.00 0.00 41.12 40.86 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x64 n ASN 58 N -1.32 -3.68 -4.75 0.00 5.15 -1.12 -4.89 115.26 104.65 1x64 n ASN 58 Ca -0.00 -0.34 -0.38 0.00 -0.60 0.00 0.00 54.58 53.26 1x64 n ASN 58 Cb 0.05 -3.26 -0.06 0.00 -0.53 0.00 0.00 39.78 35.97 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 -4.75 4.33 -0.51 1.20 0.20 -1.26 -4.39 118.68 113.50 1x64 s LEU 59 Ca 0.22 0.86 -0.31 0.00 0.69 0.00 0.00 54.13 55.59 1x64 s LEU 59 Cb -0.10 -2.67 -0.11 0.00 -0.43 0.00 0.00 46.19 42.87 1x64 s LEU 59 CO 0.44 0.08 2.37 -3.20 -0.29 0.00 0.00 176.35 175.75 1x64 n ASN 60 N 3.21 1.93 -0.70 3.68 2.85 -1.26 -0.80 115.26 124.16 1x64 n ASN 60 Ca -0.09 0.04 0.03 0.00 -0.11 0.00 0.00 54.58 54.46 1x64 n ASN 60 Cb 0.52 -1.33 0.12 0.00 1.24 0.00 0.00 39.78 40.33 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 12.15 1.92 0.15 1.20 4.77 -1.15 -4.14 117.00 131.90 1x64 n LEU 61 Ca 0.44 -0.97 -0.06 0.00 -0.03 0.00 0.00 56.01 55.39 1x64 n LEU 61 Cb 0.31 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1x64 n LEU 61 CO 0.77 0.35 0.36 0.50 -1.33 0.00 0.00 177.39 178.04 1x64 h LYS 62 N 1.33 -0.39 0.05 3.23 1.63 -1.86 -3.35 116.57 117.20 1x64 h LYS 62 Ca 0.00 0.03 -0.27 0.00 -0.85 0.00 0.00 60.65 59.56 1x64 h LYS 62 Cb 0.66 0.09 0.02 0.00 -0.60 0.00 0.00 32.23 32.40 1x64 h LYS 62 CO 0.08 -0.26 -1.09 -0.56 -3.45 0.00 0.00 179.45 174.17 1x64 h GLN 63 N -0.53 0.56 -7.04 1.90 3.07 -1.98 -3.46 115.11 107.64 1x64 h GLN 63 Ca -0.04 -0.67 -0.47 0.00 0.09 0.00 0.00 58.65 57.56 1x64 h GLN 63 Cb 0.31 0.20 0.02 0.00 0.08 0.00 0.00 27.48 28.09 1x64 h GLN 63 CO 0.07 1.27 0.39 0.15 0.09 0.00 0.00 178.83 180.80 1x64 s LYS 64 N -3.16 3.96 -0.26 0.06 1.02 -1.26 -4.92 119.74 115.18 1x64 s LYS 64 Ca -0.08 1.37 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 1x64 s LYS 64 Cb 0.07 -2.23 -0.07 0.00 -0.52 0.00 0.00 37.83 35.08 1x64 s LYS 64 CO 0.91 -0.30 2.22 0.41 -0.92 0.00 0.00 175.35 177.67 1x64 n GLY 65 N -0.13 0.85 3.73 -3.33 0.00 -1.26 -4.70 105.19 100.35 1x64 n GLY 65 Ca 0.08 0.83 -0.29 0.00 0.00 0.00 0.00 46.02 46.63 1x64 n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x64 s TYR 66 N 8.03 2.35 0.05 1.61 -0.85 -1.26 -3.88 117.35 123.40 1x64 s TYR 66 Ca 1.04 1.12 -0.03 0.00 -0.52 0.00 0.00 57.07 58.68 1x64 s TYR 66 Cb -0.50 -3.21 -0.02 0.00 0.38 0.00 0.00 41.96 38.61 1x64 s TYR 66 CO 0.40 -2.45 0.03 -0.06 -1.52 0.00 0.00 175.55 171.95 1x64 s PHE 67 N -3.01 0.35 -0.30 -3.49 0.40 -0.96 -4.93 117.98 106.03 1x64 s PHE 67 Ca 0.64 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1x64 s PHE 67 Cb -0.17 -0.25 0.09 0.00 0.51 0.00 0.00 43.02 43.20 1x64 s PHE 67 CO 0.56 -0.36 0.05 -0.06 0.70 0.00 0.00 175.22 176.11 1x64 s PHE 68 N -3.14 2.59 -0.33 0.36 0.08 -1.26 -2.94 117.98 113.35 1x64 s PHE 68 Ca -0.00 -2.19 0.02 0.00 0.12 0.00 0.00 56.93 54.88 1x64 s PHE 68 Cb 0.02 -2.11 0.09 0.00 -0.57 0.00 0.00 43.02 40.45 1x64 s PHE 68 CO -0.07 -0.88 0.03 0.08 -0.10 0.00 0.00 175.22 174.28 1x64 s VAL 69 N 1.31 2.44 -1.22 -0.44 1.01 0.89 -4.69 120.40 119.71 1x64 s VAL 69 Ca 0.07 -2.05 -0.06 0.00 0.00 0.00 0.00 61.98 59.94 1x64 s VAL 69 Cb -0.18 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1x64 s VAL 69 CO -0.15 -0.43 0.74 -0.62 0.00 0.00 0.00 175.10 174.64 1x64 n GLU 70 N 4.37 -5.32 0.00 2.72 1.02 -1.26 -2.20 120.64 119.97 1x64 n GLU 70 Ca -0.03 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1x64 n GLU 70 Cb 0.42 -5.31 0.00 0.00 -0.02 0.00 0.00 31.44 26.53 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 -1.57 2.49 3.85 0.62 0.00 -1.26 -5.00 105.19 104.32 1x64 n GLY 71 Ca -0.05 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 3.86 0.39 1.61 2.56 -0.93 -5.01 118.70 121.18 1x64 s GLU 72 Ca 0.00 0.88 0.03 0.00 0.00 0.00 0.00 54.97 55.88 1x64 s GLU 72 Cb 0.00 -2.14 -0.01 0.00 2.00 0.00 0.00 34.13 33.99 1x64 s GLU 72 CO 0.00 -0.33 0.57 -0.51 -0.56 0.00 0.00 175.26 174.43 1x64 s LEU 73 N -4.32 3.81 0.02 2.70 1.43 -1.26 -0.07 118.68 120.98 1x64 s LEU 73 Ca 0.57 0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 53.46 1x64 s LEU 73 Cb -0.10 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.25 1x64 s LEU 73 CO 0.37 -0.56 0.83 -0.31 0.23 0.00 0.00 176.35 176.90 1x64 s TYR 74 N -2.37 -0.40 0.78 0.29 2.02 -1.15 -3.16 117.35 113.37 1x64 s TYR 74 Ca 0.46 0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 57.34 1x64 s TYR 74 Cb -0.10 0.53 0.06 0.00 -0.40 0.00 0.00 41.96 42.06 1x64 s TYR 74 CO 0.35 -0.59 1.15 0.00 -1.57 0.00 0.00 175.55 174.88 1x64 h GLU 76 N -0.95 0.54 0.00 0.00 4.81 -1.92 0.61 114.58 117.68 1x64 h GLU 76 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1x64 h GLU 76 Cb 1.30 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1x64 h GLU 76 CO 0.65 0.36 0.00 2.41 -0.73 0.00 0.00 179.01 181.70 1x64 n THR 77 N -4.52 0.00 0.12 0.32 -1.04 -1.26 -1.87 114.28 106.03 1x64 n THR 77 Ca 0.16 1.07 -0.13 0.00 -2.04 0.00 0.00 64.05 63.11 1x64 n THR 77 Cb 0.49 -2.03 -0.06 0.00 -1.82 0.00 0.00 70.33 66.91 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 -0.56 -0.55 -1.42 3.86 -1.92 -2.78 115.15 111.79 1x64 h HIS 78 Ca 0.00 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.32 1x64 h HIS 78 Cb 0.00 0.23 -0.11 0.00 1.06 0.00 0.00 27.41 28.59 1x64 h HIS 78 CO 0.13 -0.31 -0.35 0.00 0.86 0.00 0.00 177.93 178.26 1x64 h ALA 79 N 0.37 -0.11 -0.88 2.45 0.00 0.09 0.13 119.26 121.31 1x64 h ALA 79 Ca 0.02 0.14 0.21 0.00 0.00 0.00 0.00 54.91 55.28 1x64 h ALA 79 Cb 0.42 0.79 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 1x64 h ALA 79 CO -0.10 -0.71 0.39 0.00 0.00 0.00 0.00 179.25 178.83 1x64 h ARG 80 N -0.19 0.41 0.00 0.00 3.08 -1.13 0.71 114.38 117.26 1x64 h ARG 80 Ca 0.21 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1x64 h ARG 80 Cb 0.55 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1x64 h ARG 80 CO -0.65 0.27 -0.11 0.00 -1.07 0.00 0.00 179.97 178.41 1x64 h ALA 81 N 1.68 1.67 0.00 0.04 0.00 -0.50 1.06 119.26 123.22 1x64 h ALA 81 Ca 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1x64 h ALA 81 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1x64 h ALA 81 CO -0.50 0.14 -0.15 0.00 0.00 0.00 0.00 179.25 178.73 1x64 h ARG 82 N 0.00 0.00 -0.24 0.00 3.08 0.86 -3.38 114.38 114.69 1x64 h ARG 82 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1x64 h ARG 82 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1x64 h ARG 82 CO 0.01 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 178.84 1x64 h THR 83 N -0.58 1.19 -6.26 2.04 1.03 -0.73 -3.46 112.91 106.15 1x64 h THR 83 Ca 0.00 -0.80 -0.47 0.00 -0.01 0.00 0.00 66.41 65.13 1x64 h THR 83 Cb 0.15 1.09 -0.02 0.00 -1.07 0.00 0.00 68.15 68.31 1x64 h THR 83 CO 0.00 0.26 -0.76 -0.24 -0.01 0.00 0.00 175.52 174.77 1x64 n SER 84 N -4.27 -4.63 0.00 0.00 2.88 0.37 -4.50 113.62 103.46 1x64 n SER 84 Ca 0.00 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1x64 n SER 84 Cb 0.26 -3.98 0.00 0.00 -0.75 0.00 0.00 64.21 59.74 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 -1.71 0.69 3.57 0.46 0.00 -1.26 -4.99 105.19 101.95 1x64 n GLY 85 Ca 0.01 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.03 2.53 0.32 1.61 0.04 -1.26 -4.76 135.00 133.44 1x64 s PRO 86 Ca 0.00 -0.60 0.08 0.00 0.04 0.00 0.00 61.00 60.52 1x64 s PRO 86 Cb 0.00 -5.13 0.53 0.00 0.04 0.00 0.00 34.50 29.94 1x64 s PRO 86 CO 0.00 -3.60 1.74 0.66 0.04 0.00 0.00 177.00 175.84 1x64 h SER 87 N 10.74 0.17 -0.04 6.66 4.64 -1.94 -3.11 113.55 130.67 1x64 h SER 87 Ca 0.14 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 1x64 h SER 87 Cb 0.98 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1x64 h SER 87 CO 1.21 0.56 -0.52 -1.28 -0.87 0.00 0.00 176.83 175.94 1x64 h SER 88 N 0.14 0.52 0.00 4.97 0.87 -2.02 -3.57 113.55 114.46 1x64 h SER 88 Ca 0.01 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 1x64 h SER 88 Cb 0.77 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1x64 h SER 88 CO 0.06 1.16 0.00 0.61 -0.53 0.00 0.00 176.83 178.13