#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 2.34 0.39 1.61 1.04 -1.26 -5.17 113.70 112.66 1x64 s SER 2 Ca 0.00 -1.37 0.08 0.00 0.48 0.00 0.00 55.95 55.14 1x64 s SER 2 Cb 0.00 -0.08 -0.07 0.00 0.10 0.00 0.00 66.02 65.97 1x64 s SER 2 CO 0.00 -0.60 -0.01 -0.94 0.98 0.00 0.00 173.24 172.68 1x64 s SER 3 N -3.48 3.88 -0.57 7.02 1.04 -1.26 -5.04 113.70 115.30 1x64 s SER 3 Ca 0.36 -1.30 -0.32 0.00 0.48 0.00 0.00 55.95 55.17 1x64 s SER 3 Cb 0.08 -0.40 -0.13 0.00 0.10 0.00 0.00 66.02 65.68 1x64 s SER 3 CO 0.15 -0.39 2.39 0.61 0.98 0.00 0.00 173.24 176.98 1x64 n GLY 4 N -0.94 0.12 0.06 7.32 0.00 -1.26 -4.81 105.19 105.68 1x64 n GLY 4 Ca -0.05 0.92 -0.13 0.00 0.00 0.00 0.00 46.02 46.77 1x64 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x64 h SER 5 N 14.15 0.05 -2.47 1.61 4.64 -2.07 -3.42 113.55 126.04 1x64 h SER 5 Ca -0.20 -0.34 -0.35 0.00 -0.47 0.00 0.00 61.79 60.43 1x64 h SER 5 Cb 1.31 -0.01 -0.36 0.00 -0.31 0.00 0.00 62.40 63.03 1x64 h SER 5 CO 1.16 0.38 -0.65 -0.55 -0.87 0.00 0.00 176.83 176.30 1x64 s SER 6 N -5.59 1.73 -0.19 4.97 0.15 -1.26 -5.11 113.70 108.40 1x64 s SER 6 Ca -0.15 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 55.96 1x64 s SER 6 Cb 0.03 0.31 0.08 0.00 -1.71 0.00 0.00 66.02 64.74 1x64 s SER 6 CO 0.68 -0.36 0.17 -0.83 1.20 0.00 0.00 173.24 174.10 1x64 s GLY 7 N 2.30 0.14 0.30 9.45 0.00 -1.26 -5.14 107.32 113.11 1x64 s GLY 7 Ca 0.08 0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.87 1x64 s GLY 7 CO -0.20 1.98 0.18 -1.34 0.00 0.00 0.00 173.10 173.73 1x64 s VAL 8 N 2.25 0.20 0.26 1.40 -7.23 -1.26 -5.14 120.40 110.90 1x64 s VAL 8 Ca 0.05 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 1x64 s VAL 8 Cb -0.16 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.19 1x64 s VAL 8 CO -0.11 0.00 1.22 -0.60 -0.31 0.00 0.00 175.10 175.30 1x64 s ARG 9 N -3.77 4.48 -0.21 4.82 3.52 -1.26 -5.03 118.95 121.50 1x64 s ARG 9 Ca 0.37 1.99 -0.17 0.00 -0.13 0.00 0.00 55.73 57.78 1x64 s ARG 9 Cb 0.04 -3.16 0.06 0.00 -1.56 0.00 0.00 34.95 30.33 1x64 s ARG 9 CO 0.19 -0.05 0.56 0.00 -0.81 0.00 0.00 175.30 175.19 1x64 s ALA 10 N -0.72 -1.41 0.51 6.12 0.00 -1.26 -5.16 121.76 119.84 1x64 s ALA 10 Ca 0.50 1.71 -0.21 0.00 0.00 0.00 0.00 51.96 53.95 1x64 s ALA 10 Cb -0.35 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 1x64 s ALA 10 CO 0.43 -0.28 1.14 -1.25 0.00 0.00 0.00 175.76 175.80 1x64 s PRO 11 N 0.68 3.51 -0.10 0.00 0.04 -1.26 -5.04 135.00 132.82 1x64 s PRO 11 Ca -0.03 1.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 1x64 s PRO 11 Cb -0.05 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1x64 s PRO 11 CO -0.05 -0.74 0.04 0.54 0.04 0.00 0.00 177.00 176.83 1x64 s VAL 12 N -1.69 4.61 0.24 -0.36 0.11 -1.26 -5.12 120.40 116.93 1x64 s VAL 12 Ca 0.69 -0.13 0.11 0.00 -2.93 0.00 0.00 61.98 59.72 1x64 s VAL 12 Cb -0.26 -2.97 -0.05 0.00 -1.53 0.00 0.00 36.38 31.58 1x64 s VAL 12 CO 0.30 0.60 -0.14 0.42 -3.33 0.00 0.00 175.10 172.94 1x64 s THR 13 N -0.82 2.83 -0.54 5.04 -4.23 -1.26 -5.07 115.64 111.59 1x64 s THR 13 Ca 0.13 -2.06 -0.27 0.00 -1.18 0.00 0.00 61.69 58.30 1x64 s THR 13 Cb -0.12 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 1x64 s THR 13 CO 0.03 -0.27 1.68 -0.75 -0.54 0.00 0.00 174.62 174.76 1x64 s LYS 14 N -3.23 3.01 -0.10 3.99 2.47 -1.26 -4.97 119.74 119.65 1x64 s LYS 14 Ca 0.27 0.70 0.03 0.00 -1.56 0.00 0.00 55.97 55.42 1x64 s LYS 14 Cb -0.07 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.05 1x64 s LYS 14 CO 0.15 -2.27 -0.21 0.14 0.16 0.00 0.00 175.35 173.31 1x64 s VAL 15 N 7.53 1.90 -0.09 4.02 -7.23 -1.26 -5.12 120.40 120.15 1x64 s VAL 15 Ca 0.64 -0.91 -0.24 0.00 -1.81 0.00 0.00 61.98 59.66 1x64 s VAL 15 Cb -0.14 -1.66 0.05 0.00 0.56 0.00 0.00 36.38 35.19 1x64 s VAL 15 CO 0.25 0.52 0.55 -1.38 -0.31 0.00 0.00 175.10 174.73 1x64 s HIS 16 N 0.52 -0.53 0.00 2.82 -3.43 -1.26 -5.16 115.29 108.25 1x64 s HIS 16 Ca -0.15 1.03 0.00 0.00 -0.80 0.00 0.00 55.06 55.14 1x64 s HIS 16 Cb -0.17 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.25 1x64 s HIS 16 CO 0.05 -0.46 0.00 0.41 -2.00 0.00 0.00 174.74 172.74 1x64 n GLY 17 N 1.56 4.29 2.52 -1.38 0.00 -1.26 -5.02 105.19 105.89 1x64 n GLY 17 Ca -0.18 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 0.59 5.44 1.48 -0.02 0.00 -1.26 -4.60 105.19 106.81 1x64 n GLY 18 Ca 0.00 -2.18 0.06 0.00 0.00 0.00 0.00 46.02 43.91 1x64 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 n ALA 19 N 1.31 3.32 -1.00 4.61 0.00 -1.26 -4.94 120.51 122.56 1x64 n ALA 19 Ca 0.59 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1x64 n ALA 19 Cb 0.25 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1x64 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x64 n GLY 20 N 0.70 -0.96 2.61 0.00 0.00 -1.26 -5.09 105.19 101.20 1x64 n GLY 20 Ca 0.21 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 1x64 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 21 N -1.01 2.69 -0.25 1.61 0.15 -1.26 -5.10 113.70 110.53 1x64 s SER 21 Ca 0.00 -0.80 -0.03 0.00 0.70 0.00 0.00 55.95 55.82 1x64 s SER 21 Cb 0.00 -0.31 0.14 0.00 -1.71 0.00 0.00 66.02 64.13 1x64 s SER 21 CO 0.00 -0.37 0.44 0.00 1.20 0.00 0.00 173.24 174.52 1x64 s ALA 22 N 2.09 -1.38 0.15 5.45 0.00 -1.26 -5.10 121.76 121.72 1x64 s ALA 22 Ca 0.03 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.33 1x64 s ALA 22 Cb -0.16 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1x64 s ALA 22 CO -0.15 -1.17 -0.15 -1.14 0.00 0.00 0.00 175.76 173.15 1x64 s GLN 23 N 2.64 1.15 -1.24 0.00 0.74 -1.26 -4.79 119.66 116.89 1x64 s GLN 23 Ca 0.11 -1.38 -0.07 0.00 0.05 0.00 0.00 55.36 54.07 1x64 s GLN 23 Cb -0.15 -1.02 0.01 0.00 1.10 0.00 0.00 33.01 32.95 1x64 s GLN 23 CO -0.16 0.19 1.08 0.54 -0.55 0.00 0.00 175.29 176.39 1x64 n ARG 24 N 0.20 -7.27 -3.95 1.67 3.00 -1.26 -5.01 116.66 104.04 1x64 n ARG 24 Ca -0.13 0.78 -0.09 0.00 -0.01 0.00 0.00 57.85 58.40 1x64 n ARG 24 Cb 0.58 -5.66 -0.10 0.00 0.00 0.00 0.00 32.46 27.28 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x64 s MET 25 N -6.08 0.48 0.47 5.56 0.23 -1.26 -5.14 119.30 113.55 1x64 s MET 25 Ca 0.46 -0.68 -0.22 0.00 -1.03 0.00 0.00 55.69 54.22 1x64 s MET 25 Cb -0.20 0.18 -0.07 0.00 -1.53 0.00 0.00 34.83 33.21 1x64 s MET 25 CO 0.68 -0.10 1.16 -1.25 -2.03 0.00 0.00 175.02 173.48 1x64 s PRO 26 N -2.10 3.69 -0.28 3.16 0.04 -1.26 -4.77 135.00 133.48 1x64 s PRO 26 Ca -0.10 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 1x64 s PRO 26 Cb -0.05 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1x64 s PRO 26 CO -0.03 -0.61 0.26 -1.17 0.04 0.00 0.00 177.00 175.50 1x64 s LEU 27 N -3.16 4.03 -0.13 -3.56 1.98 -1.26 -2.30 118.68 114.28 1x64 s LEU 27 Ca 0.65 0.10 -0.36 0.00 -2.89 0.00 0.00 54.13 51.63 1x64 s LEU 27 Cb -0.28 -2.23 -0.13 0.00 0.66 0.00 0.00 46.19 44.21 1x64 s LEU 27 CO 0.33 -0.10 1.80 0.00 -1.89 0.00 0.00 176.35 176.49 1x64 n ASP 29 N 5.86 0.00 -0.11 0.00 -0.08 -1.24 0.24 116.55 121.22 1x64 n ASP 29 Ca 0.23 -1.20 -0.18 0.00 -1.51 0.00 0.00 54.79 52.13 1x64 n ASP 29 Cb 0.23 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.63 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 -0.86 0.55 -0.21 -0.67 3.00 -1.26 -4.65 118.16 114.07 1x64 n LYS 30 Ca 0.16 0.28 0.06 0.00 -0.00 0.00 0.00 58.31 58.81 1x64 n LYS 30 Cb 0.07 -1.50 0.15 0.00 0.00 0.00 0.00 35.03 33.76 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 -0.04 -0.20 3.14 0.00 0.00 0.14 -4.92 105.19 103.32 1x64 n GLY 32 Ca 0.12 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.02 2.56 0.25 1.61 0.15 -1.24 -4.86 113.70 108.15 1x64 s SER 33 Ca 0.25 -0.45 -0.26 0.00 0.70 0.00 0.00 55.95 56.19 1x64 s SER 33 Cb -0.15 -1.14 -0.16 0.00 -1.71 0.00 0.00 66.02 62.86 1x64 s SER 33 CO 0.99 0.12 0.40 0.61 1.20 0.00 0.00 173.24 176.56 1x64 n GLY 34 N 3.59 -1.96 3.42 9.45 0.00 -1.26 -3.04 105.19 115.40 1x64 n GLY 34 Ca -0.20 0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.15 3.48 -0.26 -0.61 1.01 -0.97 -4.84 121.20 117.86 1x64 s ILE 35 Ca 0.61 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 1x64 s ILE 35 Cb -0.83 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 39.23 1x64 s ILE 35 CO 0.56 0.50 0.58 0.54 0.00 0.00 0.00 174.94 177.12 1x64 s VAL 36 N 0.48 -0.62 0.00 2.92 0.11 -1.26 -4.45 120.40 117.58 1x64 s VAL 36 Ca -0.06 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1x64 s VAL 36 Cb -0.15 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1x64 s VAL 36 CO 0.04 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 1x64 n GLY 37 N 5.09 3.28 3.39 6.54 0.00 -1.26 -4.99 105.19 117.24 1x64 n GLY 37 Ca -0.14 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.36 0.08 4.61 0.00 -1.26 -5.17 121.76 118.67 1x64 s ALA 38 Ca 0.00 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1x64 s ALA 38 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1x64 s ALA 38 CO 0.00 -0.49 -0.03 0.54 0.00 0.00 0.00 175.76 175.78 1x64 s VAL 39 N 1.93 0.38 -0.29 0.00 0.11 -1.26 -4.24 120.40 117.04 1x64 s VAL 39 Ca -0.07 -1.87 -0.01 0.00 -2.93 0.00 0.00 61.98 57.09 1x64 s VAL 39 Cb -0.09 -1.67 0.09 0.00 -1.53 0.00 0.00 36.38 33.18 1x64 s VAL 39 CO -0.15 -0.87 0.09 -0.69 -3.33 0.00 0.00 175.10 170.15 1x64 s VAL 40 N -3.83 0.76 -0.20 2.04 1.01 0.30 -4.82 120.40 115.66 1x64 s VAL 40 Ca 0.12 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1x64 s VAL 40 Cb 0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1x64 s VAL 40 CO -0.06 -0.59 0.04 -0.75 0.00 0.00 0.00 175.10 173.75 1x64 s LYS 41 N 1.69 3.78 0.00 2.72 2.20 -1.26 -0.31 119.74 128.56 1x64 s LYS 41 Ca 0.07 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1x64 s LYS 41 Cb -0.17 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1x64 s LYS 41 CO -0.23 0.07 0.00 0.00 -0.36 0.00 0.00 175.35 174.83 1x64 n ALA 42 N 4.12 0.00 -0.78 3.13 0.00 -1.17 -4.96 120.51 120.85 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 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.49 0.00 -0.00 0.00 0.63 -1.26 -4.94 116.66 110.60 1x64 n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1x64 n ARG 43 Cb 0.00 -0.11 -0.01 0.00 0.45 0.00 0.00 32.46 32.79 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 -1.71 4.74 -4.92 6.15 8.00 -1.26 -5.05 116.55 122.50 1x64 n ASP 44 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 1x64 n ASP 44 Cb 0.00 0.83 0.04 0.00 -0.02 0.00 0.00 41.12 41.97 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1x64 s LYS 45 N -2.06 2.75 0.06 -1.24 1.02 -1.26 -5.10 119.74 113.91 1x64 s LYS 45 Ca -0.00 -0.03 0.06 0.00 0.02 0.00 0.00 55.97 56.01 1x64 s LYS 45 Cb 0.01 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1x64 s LYS 45 CO 0.05 -0.85 -0.17 0.71 -0.92 0.00 0.00 175.35 174.17 1x64 s TYR 46 N -3.07 1.47 -0.06 3.18 1.51 -1.26 -3.04 117.35 116.07 1x64 s TYR 46 Ca 0.56 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 56.13 1x64 s TYR 46 Cb -0.11 -0.84 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1x64 s TYR 46 CO 0.45 0.09 0.23 1.03 -1.11 0.00 0.00 175.55 176.25 1x64 s ARG 47 N -1.47 0.38 1.00 -0.62 1.81 0.58 -3.60 118.95 117.03 1x64 s ARG 47 Ca 0.03 0.10 -0.13 0.00 -1.72 0.00 0.00 55.73 54.02 1x64 s ARG 47 Cb -0.09 0.17 0.11 0.00 -0.45 0.00 0.00 34.95 34.70 1x64 s ARG 47 CO 0.02 -0.07 0.64 0.72 -0.68 0.00 0.00 175.30 175.93 1x64 n HIS 48 N 2.39 -0.74 0.48 -0.53 8.25 -1.26 0.11 115.22 123.91 1x64 n HIS 48 Ca -0.16 0.22 0.07 0.00 -0.26 0.00 0.00 57.72 57.59 1x64 n HIS 48 Cb 0.57 -1.80 0.32 0.00 1.12 0.00 0.00 29.99 30.20 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 -2.94 0.02 -0.01 -0.41 -0.04 -1.26 -2.27 135.00 128.09 1x64 n PRO 49 Ca 0.07 0.27 -0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1x64 n PRO 49 Cb 0.54 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 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 2.70 0.08 0.54 0.28 -1.26 -4.66 120.64 116.74 1x64 n GLU 50 Ca 0.03 -0.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.97 1x64 n GLU 50 Cb 0.17 -1.05 0.11 0.00 1.43 0.00 0.00 31.44 32.10 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 -3.88 1.23 -3.83 0.00 7.35 -0.96 -4.83 117.46 112.54 1x64 n PHE 52 Ca -0.03 0.22 -0.07 0.00 -0.76 0.00 0.00 57.45 56.81 1x64 n PHE 52 Cb 0.62 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.91 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 10.20 0.00 0.97 -2.13 -7.23 -1.26 -3.25 120.40 117.70 1x64 s VAL 53 Ca 1.11 -0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 60.21 1x64 s VAL 53 Cb -0.63 -2.49 0.17 0.00 0.56 0.00 0.00 36.38 34.00 1x64 s VAL 53 CO 0.38 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.27 1x64 n ALA 55 N -4.05 3.92 -0.07 0.00 0.00 -1.19 -2.87 120.51 116.24 1x64 n ALA 55 Ca 0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 1x64 n ALA 55 Cb 0.58 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.11 2.87 -0.00 0.00 2.03 -1.26 -4.74 116.55 114.34 1x64 n ASP 56 Ca 0.04 -0.07 0.02 0.00 0.52 0.00 0.00 54.79 55.30 1x64 n ASP 56 Cb 0.27 -0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.43 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x64 n ASN 58 N -1.22 -4.65 -4.81 0.00 5.15 -1.14 -4.87 115.26 103.72 1x64 n ASN 58 Ca 0.00 -0.55 -0.38 0.00 -0.60 0.00 0.00 54.58 53.05 1x64 n ASN 58 Cb 0.06 -4.89 -0.06 0.00 -0.53 0.00 0.00 39.78 34.37 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 -6.73 4.49 -0.22 1.20 2.96 -1.26 -4.35 118.68 114.77 1x64 s LEU 59 Ca 0.35 1.13 -0.33 0.00 -0.22 0.00 0.00 54.13 55.06 1x64 s LEU 59 Cb -0.16 -2.78 -0.10 0.00 0.50 0.00 0.00 46.19 43.66 1x64 s LEU 59 CO 0.70 0.26 2.08 0.59 -1.32 0.00 0.00 176.35 178.66 1x64 n ASN 60 N 1.95 2.89 -1.22 3.68 4.13 -1.26 -0.98 115.26 124.44 1x64 n ASN 60 Ca -0.11 0.57 0.11 0.00 1.68 0.00 0.00 54.58 56.84 1x64 n ASN 60 Cb 0.51 -1.37 0.29 0.00 -1.54 0.00 0.00 39.78 37.67 1x64 n ASN 60 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x64 n LEU 61 N 9.07 3.57 0.10 3.41 4.77 -1.20 -4.30 117.00 132.42 1x64 n LEU 61 Ca 0.31 -1.73 -0.06 0.00 -0.03 0.00 0.00 56.01 54.50 1x64 n LEU 61 Cb 0.30 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1x64 n LEU 61 CO 0.73 0.87 0.51 0.50 -1.33 0.00 0.00 177.39 178.66 1x64 h LYS 62 N 4.06 -0.32 0.22 3.23 1.63 -1.88 -3.31 116.57 120.21 1x64 h LYS 62 Ca 0.00 0.02 -0.33 0.00 -0.85 0.00 0.00 60.65 59.49 1x64 h LYS 62 Cb 0.92 0.07 0.03 0.00 -0.60 0.00 0.00 32.23 32.65 1x64 h LYS 62 CO 0.00 -0.22 -1.52 -0.56 -3.45 0.00 0.00 179.45 173.70 1x64 h GLN 63 N -0.34 0.47 -6.91 1.90 3.07 -1.99 -3.46 115.11 107.85 1x64 h GLN 63 Ca -0.02 -0.81 -0.51 0.00 0.09 0.00 0.00 58.65 57.40 1x64 h GLN 63 Cb 0.29 0.30 0.06 0.00 0.08 0.00 0.00 27.48 28.21 1x64 h GLN 63 CO -0.02 1.38 0.55 0.15 0.09 0.00 0.00 178.83 180.98 1x64 s LYS 64 N -2.60 4.17 -0.26 0.06 1.02 -1.24 -4.89 119.74 115.99 1x64 s LYS 64 Ca -0.10 1.97 -0.35 0.00 0.02 0.00 0.00 55.97 57.51 1x64 s LYS 64 Cb 0.05 -2.83 -0.12 0.00 -0.52 0.00 0.00 37.83 34.41 1x64 s LYS 64 CO 0.92 -0.26 2.04 0.41 -0.92 0.00 0.00 175.35 177.54 1x64 n GLY 65 N 0.74 0.83 3.87 -3.33 0.00 -1.26 -4.68 105.19 101.37 1x64 n GLY 65 Ca 0.03 0.91 -0.29 0.00 0.00 0.00 0.00 46.02 46.66 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 5.98 2.95 0.17 1.61 -0.85 -1.26 -3.37 117.35 122.59 1x64 s TYR 66 Ca 1.03 0.86 -0.05 0.00 -0.52 0.00 0.00 57.07 58.40 1x64 s TYR 66 Cb -0.81 -3.36 -0.03 0.00 0.38 0.00 0.00 41.96 38.14 1x64 s TYR 66 CO 0.51 -1.75 0.19 -0.06 -1.52 0.00 0.00 175.55 172.93 1x64 s PHE 67 N -3.45 0.75 -0.27 -3.49 0.40 -0.96 -4.89 117.98 106.07 1x64 s PHE 67 Ca 0.61 -1.08 -0.03 0.00 -0.60 0.00 0.00 56.93 55.83 1x64 s PHE 67 Cb -0.12 -0.30 0.09 0.00 0.51 0.00 0.00 43.02 43.20 1x64 s PHE 67 CO 0.51 -0.66 0.11 -0.06 0.70 0.00 0.00 175.22 175.82 1x64 s PHE 68 N -4.05 0.63 -0.25 0.36 0.08 -1.26 -3.24 117.98 110.25 1x64 s PHE 68 Ca 0.26 -0.96 0.02 0.00 0.12 0.00 0.00 56.93 56.37 1x64 s PHE 68 Cb 0.05 -1.04 0.06 0.00 -0.57 0.00 0.00 43.02 41.52 1x64 s PHE 68 CO 0.05 -0.78 -0.09 0.08 -0.10 0.00 0.00 175.22 174.38 1x64 s VAL 69 N 1.99 2.00 -1.12 -0.44 1.01 0.16 -4.73 120.40 119.27 1x64 s VAL 69 Ca 0.07 -1.53 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 1x64 s VAL 69 Cb -0.16 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1x64 s VAL 69 CO -0.28 -0.05 0.95 -0.62 0.00 0.00 0.00 175.10 175.10 1x64 n GLU 70 N 4.49 -6.38 -1.30 2.72 -0.58 -1.26 -1.92 120.64 116.42 1x64 n GLU 70 Ca -0.13 0.73 -0.10 0.00 -0.42 0.00 0.00 57.16 57.23 1x64 n GLU 70 Cb 0.43 -5.44 -0.04 0.00 -0.57 0.00 0.00 31.44 25.81 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x64 n GLY 71 N -1.47 1.13 3.31 0.62 0.00 -1.26 -4.99 105.19 102.53 1x64 n GLY 71 Ca -0.12 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.71 1.20 0.30 1.61 2.56 -0.81 -5.12 118.70 115.73 1x64 s GLU 72 Ca 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 54.97 53.63 1x64 s GLU 72 Cb 0.00 -1.35 -0.05 0.00 2.00 0.00 0.00 34.13 34.73 1x64 s GLU 72 CO 0.00 0.29 0.58 -0.51 -0.56 0.00 0.00 175.26 175.06 1x64 s LEU 73 N -2.30 4.03 0.01 2.70 1.43 -1.26 0.40 118.68 123.69 1x64 s LEU 73 Ca 0.11 0.76 -0.28 0.00 -1.03 0.00 0.00 54.13 53.69 1x64 s LEU 73 Cb -0.08 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.62 1x64 s LEU 73 CO 0.05 -0.22 0.63 -0.31 0.23 0.00 0.00 176.35 176.74 1x64 s TYR 74 N -2.12 -0.59 0.51 0.29 2.02 -1.20 -3.19 117.35 113.07 1x64 s TYR 74 Ca 0.45 0.85 -0.18 0.00 -0.37 0.00 0.00 57.07 57.82 1x64 s TYR 74 Cb -0.11 0.43 -0.07 0.00 -0.40 0.00 0.00 41.96 41.81 1x64 s TYR 74 CO 0.30 -0.66 1.00 0.00 -1.57 0.00 0.00 175.55 174.62 1x64 h GLU 76 N 1.07 0.07 0.00 0.00 4.81 -1.90 0.55 114.58 119.18 1x64 h GLU 76 Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1x64 h GLU 76 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1x64 h GLU 76 CO 0.60 0.04 0.00 2.41 -0.73 0.00 0.00 179.01 181.34 1x64 n THR 77 N -4.98 0.00 0.22 0.32 -1.04 -1.26 -1.52 114.28 106.01 1x64 n THR 77 Ca 0.37 1.27 -0.15 0.00 -2.04 0.00 0.00 64.05 63.50 1x64 n THR 77 Cb 1.34 -2.25 -0.07 0.00 -1.82 0.00 0.00 70.33 67.52 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 -0.88 -0.67 -1.42 3.86 -1.69 -2.79 115.15 111.57 1x64 h HIS 78 Ca 0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.31 1x64 h HIS 78 Cb 0.00 0.34 -0.11 0.00 1.06 0.00 0.00 27.41 28.70 1x64 h HIS 78 CO 0.17 -0.47 -0.46 0.00 0.86 0.00 0.00 177.93 178.03 1x64 h ALA 79 N -0.19 -0.35 -0.90 2.45 0.00 -0.07 0.28 119.26 120.48 1x64 h ALA 79 Ca -0.02 0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.24 1x64 h ALA 79 Cb 0.63 1.04 -0.13 0.00 0.00 0.00 0.00 17.79 19.32 1x64 h ALA 79 CO -0.05 -0.85 0.35 0.00 0.00 0.00 0.00 179.25 178.71 1x64 h ARG 80 N -0.19 0.31 -0.62 0.00 3.08 -1.10 0.40 114.38 116.26 1x64 h ARG 80 Ca 0.18 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1x64 h ARG 80 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1x64 h ARG 80 CO -0.75 0.21 0.03 0.00 -1.07 0.00 0.00 179.97 178.38 1x64 h ALA 81 N 1.75 0.83 0.49 0.04 0.00 -0.26 0.27 119.26 122.38 1x64 h ALA 81 Ca 0.58 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1x64 h ALA 81 Cb 1.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1x64 h ALA 81 CO -0.58 0.65 -0.24 0.00 0.00 0.00 0.00 179.25 179.08 1x64 h ARG 82 N 0.97 -0.64 -0.75 0.00 3.08 0.12 -3.16 114.38 114.00 1x64 h ARG 82 Ca 0.18 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1x64 h ARG 82 Cb 0.53 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1x64 h ARG 82 CO 0.03 -0.43 0.00 -2.37 -1.07 0.00 0.00 179.97 176.13 1x64 n THR 83 N -4.95 0.21 -1.63 2.04 5.66 0.96 -4.92 114.28 111.65 1x64 n THR 83 Ca -0.08 -0.12 -0.44 0.00 -3.05 0.00 0.00 64.05 60.36 1x64 n THR 83 Cb 0.26 -0.36 -0.01 0.00 -1.55 0.00 0.00 70.33 68.67 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 -0.03 1.83 -3.80 1.09 2.88 0.95 -2.86 113.62 113.67 1x64 n SER 84 Ca 0.02 1.19 -0.31 0.00 -1.33 0.00 0.00 58.87 58.44 1x64 n SER 84 Cb 0.27 -1.36 0.02 0.00 -0.75 0.00 0.00 64.21 62.39 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 1.10 -1.09 3.77 0.46 0.00 -1.26 -4.91 105.19 103.25 1x64 n GLY 85 Ca 0.08 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 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 -5.80 2.57 -0.04 1.61 0.04 -1.13 -5.06 135.00 127.19 1x64 s PRO 86 Ca 0.26 1.29 0.07 0.00 0.04 0.00 0.00 61.00 62.66 1x64 s PRO 86 Cb -0.12 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1x64 s PRO 86 CO 0.90 -1.41 -0.25 0.45 0.04 0.00 0.00 177.00 176.73 1x64 s SER 87 N -2.93 2.94 -0.15 6.66 0.15 -1.26 -5.10 113.70 114.01 1x64 s SER 87 Ca 0.64 -0.47 -0.29 0.00 0.70 0.00 0.00 55.95 56.53 1x64 s SER 87 Cb -0.19 -0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 63.55 1x64 s SER 87 CO 0.48 0.27 1.16 -0.44 1.20 0.00 0.00 173.24 175.91 1x64 s SER 88 N -0.37 7.04 0.00 5.45 0.01 -1.26 -5.27 113.70 119.30 1x64 s SER 88 Ca 0.03 1.63 0.00 0.00 1.31 0.00 0.00 55.95 58.92 1x64 s SER 88 Cb -0.11 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1x64 s SER 88 CO 0.01 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.61