#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 -0.44 0.03 1.61 0.01 -1.26 -5.18 113.70 108.47 1x64 s SER 2 Ca 0.00 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.02 1x64 s SER 2 Cb 0.00 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.83 1x64 s SER 2 CO 0.00 -1.05 0.05 -0.44 0.41 0.00 0.00 173.24 172.22 1x64 s SER 3 N -2.80 0.22 0.00 2.44 0.01 -1.26 -5.17 113.70 107.14 1x64 s SER 3 Ca 0.04 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1x64 s SER 3 Cb -0.02 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1x64 s SER 3 CO -0.08 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1x64 n GLY 4 N 0.97 1.60 3.81 3.44 0.00 -1.26 -5.19 105.19 108.56 1x64 n GLY 4 Ca -0.20 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 1x64 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 5 N -0.66 -0.28 -0.06 1.61 0.01 -1.26 -5.18 113.70 107.88 1x64 s SER 5 Ca 0.00 -0.53 -0.15 0.00 1.31 0.00 0.00 55.95 56.58 1x64 s SER 5 Cb 0.00 0.69 0.03 0.00 0.21 0.00 0.00 66.02 66.95 1x64 s SER 5 CO 0.00 -1.26 0.36 -0.55 0.41 0.00 0.00 173.24 172.20 1x64 s SER 6 N -2.91 -0.29 -0.00 2.44 0.15 -1.26 -5.17 113.70 106.66 1x64 s SER 6 Ca 0.10 0.37 -0.01 0.00 0.70 0.00 0.00 55.95 57.12 1x64 s SER 6 Cb -0.05 0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1x64 s SER 6 CO 0.05 -0.34 0.01 -0.83 1.20 0.00 0.00 173.24 173.32 1x64 s GLY 7 N -0.77 0.03 -0.15 9.45 0.00 -1.26 -5.14 107.32 109.49 1x64 s GLY 7 Ca -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 1x64 s GLY 7 CO 0.03 -0.07 0.14 0.14 0.00 0.00 0.00 173.10 173.34 1x64 s VAL 8 N -0.23 -0.20 -0.17 1.40 1.01 -1.26 -5.13 120.40 115.82 1x64 s VAL 8 Ca -0.03 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 1x64 s VAL 8 Cb -0.02 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.90 1x64 s VAL 8 CO -0.00 -0.12 0.45 0.00 0.00 0.00 0.00 175.10 175.42 1x64 s ARG 9 N 2.23 0.51 -0.09 2.72 3.03 -1.26 -5.15 118.95 120.94 1x64 s ARG 9 Ca 0.04 0.65 -0.02 0.00 2.03 0.00 0.00 55.73 58.43 1x64 s ARG 9 Cb -0.15 0.22 0.03 0.00 -1.03 0.00 0.00 34.95 34.03 1x64 s ARG 9 CO -0.09 -0.07 0.01 0.00 -1.13 0.00 0.00 175.30 174.02 1x64 s ALA 10 N 0.39 0.73 1.11 7.88 0.00 -1.26 -5.15 121.76 125.46 1x64 s ALA 10 Ca -0.01 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.58 1x64 s ALA 10 Cb -0.04 -0.82 0.24 0.00 0.00 0.00 0.00 23.12 22.50 1x64 s ALA 10 CO -0.01 -0.59 1.10 -1.25 0.00 0.00 0.00 175.76 175.00 1x64 s PRO 11 N 1.96 -0.46 -0.28 0.00 0.04 -1.26 -5.02 135.00 129.98 1x64 s PRO 11 Ca 0.04 0.21 -0.10 0.00 0.04 0.00 0.00 61.00 61.19 1x64 s PRO 11 Cb -0.13 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1x64 s PRO 11 CO -0.06 -3.26 0.15 0.54 0.04 0.00 0.00 177.00 174.41 1x64 s VAL 12 N -2.98 4.88 0.00 -0.36 0.11 -1.26 -5.06 120.40 115.74 1x64 s VAL 12 Ca 0.68 -0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 59.37 1x64 s VAL 12 Cb -0.14 -3.37 0.10 0.00 -1.53 0.00 0.00 36.38 31.43 1x64 s VAL 12 CO 0.57 0.21 0.82 0.28 -3.33 0.00 0.00 175.10 173.65 1x64 s THR 13 N 1.69 0.00 0.29 5.04 -1.32 -1.26 -5.18 115.64 114.90 1x64 s THR 13 Ca 0.06 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.59 1x64 s THR 13 Cb -0.16 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1x64 s THR 13 CO 0.08 0.00 0.43 -0.54 -2.21 0.00 0.00 174.62 172.38 1x64 s LYS 14 N -2.74 3.36 0.14 7.08 1.02 -1.26 -5.13 119.74 122.21 1x64 s LYS 14 Ca 0.01 -0.73 -0.00 0.00 0.02 0.00 0.00 55.97 55.27 1x64 s LYS 14 Cb -0.01 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1x64 s LYS 14 CO -0.06 0.27 0.04 0.14 -0.92 0.00 0.00 175.35 174.81 1x64 s VAL 15 N -2.11 0.28 0.04 3.17 -7.23 -1.26 -5.17 120.40 108.11 1x64 s VAL 15 Ca 0.38 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1x64 s VAL 15 Cb -0.09 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 1x64 s VAL 15 CO 0.31 -0.50 -0.11 -2.28 -0.31 0.00 0.00 175.10 172.21 1x64 s HIS 16 N -3.93 0.94 0.00 2.82 2.46 -1.26 -5.10 115.29 111.23 1x64 s HIS 16 Ca 0.23 -0.36 0.00 0.00 0.47 0.00 0.00 55.06 55.40 1x64 s HIS 16 Cb 0.07 -0.56 0.00 0.00 -0.13 0.00 0.00 32.58 31.96 1x64 s HIS 16 CO 0.02 -0.00 0.00 0.41 -2.47 0.00 0.00 174.74 172.69 1x64 n GLY 17 N 1.88 0.75 0.00 1.59 0.00 -1.26 -5.13 105.19 103.02 1x64 n GLY 17 Ca -0.19 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 0.80 1.93 2.91 -0.02 0.00 -1.26 -5.15 105.19 104.40 1x64 n GLY 18 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.45 -0.82 0.00 4.61 0.00 -1.26 -5.11 121.76 117.74 1x64 s ALA 19 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1x64 s ALA 19 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1x64 s ALA 19 CO 0.00 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.04 1x64 n GLY 20 N 5.35 2.87 3.26 0.00 0.00 -1.26 -5.01 105.19 110.40 1x64 n GLY 20 Ca -0.05 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1x64 n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x64 n SER 21 N 0.00 -4.87 -0.48 1.61 7.64 -1.26 -4.91 113.62 111.35 1x64 n SER 21 Ca 0.00 -0.48 0.08 0.00 1.01 0.00 0.00 58.87 59.48 1x64 n SER 21 Cb 0.00 -4.43 0.18 0.00 -1.01 0.00 0.00 64.21 58.95 1x64 n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x64 n ALA 22 N -4.43 2.55 1.08 -0.43 0.00 -1.26 -4.61 120.51 113.40 1x64 n ALA 22 Ca -0.06 -2.19 0.01 0.00 0.00 0.00 0.00 53.44 51.21 1x64 n ALA 22 Cb 0.58 -0.49 0.06 0.00 0.00 0.00 0.00 19.45 19.59 1x64 n ALA 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x64 n GLN 23 N -0.75 1.46 -0.20 0.00 6.02 -1.26 -3.34 117.38 119.31 1x64 n GLN 23 Ca 0.16 -0.44 0.12 0.00 -0.01 0.00 0.00 57.00 56.83 1x64 n GLN 23 Cb 0.69 -1.41 0.22 0.00 1.02 0.00 0.00 30.24 30.76 1x64 n GLN 23 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1x64 n ARG 24 N -0.01 2.50 -3.55 -1.09 1.74 -1.26 -4.96 116.66 110.03 1x64 n ARG 24 Ca 0.04 -2.30 -0.10 0.00 -0.77 0.00 0.00 57.85 54.72 1x64 n ARG 24 Cb 0.28 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x64 s MET 25 N -1.44 0.69 0.55 5.56 0.23 -1.21 -5.09 119.30 118.58 1x64 s MET 25 Ca 0.39 -0.01 -0.19 0.00 -1.03 0.00 0.00 55.69 54.84 1x64 s MET 25 Cb 0.23 0.32 -0.06 0.00 -1.53 0.00 0.00 34.83 33.79 1x64 s MET 25 CO 0.31 -0.25 1.13 -1.25 -2.03 0.00 0.00 175.02 172.93 1x64 s PRO 26 N -1.86 3.34 -0.30 3.16 0.04 -1.26 -4.77 135.00 133.35 1x64 s PRO 26 Ca 0.00 1.60 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1x64 s PRO 26 Cb -0.01 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1x64 s PRO 26 CO -0.02 -0.86 0.18 -1.17 0.04 0.00 0.00 177.00 175.17 1x64 s LEU 27 N -3.84 4.09 0.06 -3.56 1.98 -1.26 -2.05 118.68 114.10 1x64 s LEU 27 Ca 0.72 -0.26 -0.35 0.00 -2.89 0.00 0.00 54.13 51.35 1x64 s LEU 27 Cb -0.24 -2.07 -0.15 0.00 0.66 0.00 0.00 46.19 44.40 1x64 s LEU 27 CO 0.27 -0.13 1.56 0.00 -1.89 0.00 0.00 176.35 176.16 1x64 n ASP 29 N 3.77 0.42 -0.11 0.00 2.03 -1.24 -0.40 116.55 121.03 1x64 n ASP 29 Ca 0.19 -1.29 -0.16 0.00 0.52 0.00 0.00 54.79 54.05 1x64 n ASP 29 Cb 0.24 -0.01 -0.06 0.00 -0.72 0.00 0.00 41.12 40.57 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1x64 n LYS 30 N -0.60 0.54 -0.25 -0.67 3.00 -1.26 -4.65 118.16 114.27 1x64 n LYS 30 Ca 0.19 0.28 0.06 0.00 -0.00 0.00 0.00 58.31 58.85 1x64 n LYS 30 Cb 0.16 -1.50 0.18 0.00 0.00 0.00 0.00 35.03 33.87 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 -0.11 -0.13 3.02 0.00 0.00 0.47 -4.90 105.19 103.53 1x64 n GLY 32 Ca 0.14 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 1x64 n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x64 s SER 33 N -4.05 2.17 0.14 1.61 1.04 -1.25 -4.86 113.70 108.50 1x64 s SER 33 Ca 0.03 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 1x64 s SER 33 Cb -0.02 -0.96 -0.11 0.00 0.10 0.00 0.00 66.02 65.03 1x64 s SER 33 CO 0.77 0.00 0.34 0.61 0.98 0.00 0.00 173.24 175.94 1x64 n GLY 34 N 4.19 -1.20 3.47 7.32 0.00 -1.26 -3.51 105.19 114.20 1x64 n GLY 34 Ca -0.19 0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.69 3.72 -0.24 -0.61 1.01 -0.87 -4.86 121.20 118.66 1x64 s ILE 35 Ca 0.43 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 1x64 s ILE 35 Cb -0.62 -2.62 0.09 0.00 0.01 0.00 0.00 42.46 39.32 1x64 s ILE 35 CO 0.38 0.50 0.58 0.54 0.00 0.00 0.00 174.94 176.93 1x64 s VAL 36 N 0.34 -0.28 0.00 2.92 0.11 -1.26 -4.43 120.40 117.80 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 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1x64 s VAL 36 CO 0.04 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 1x64 n GLY 37 N 4.66 3.13 3.35 6.54 0.00 -1.26 -4.98 105.19 116.63 1x64 n GLY 37 Ca -0.18 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.28 0.15 4.61 0.00 -1.26 -5.17 121.76 118.81 1x64 s ALA 38 Ca 0.00 1.72 0.02 0.00 0.00 0.00 0.00 51.96 53.69 1x64 s ALA 38 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1x64 s ALA 38 CO 0.00 -0.49 -0.01 0.54 0.00 0.00 0.00 175.76 175.80 1x64 s VAL 39 N 1.95 0.63 -0.28 0.00 0.11 -1.26 -4.25 120.40 117.30 1x64 s VAL 39 Ca -0.07 -1.96 -0.02 0.00 -2.93 0.00 0.00 61.98 57.00 1x64 s VAL 39 Cb -0.09 -2.02 0.09 0.00 -1.53 0.00 0.00 36.38 32.83 1x64 s VAL 39 CO -0.14 -0.56 0.10 -0.69 -3.33 0.00 0.00 175.10 170.47 1x64 s VAL 40 N -3.68 0.50 -0.20 2.04 1.01 0.46 -4.79 120.40 115.74 1x64 s VAL 40 Ca 0.21 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1x64 s VAL 40 Cb 0.06 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1x64 s VAL 40 CO 0.02 -0.60 0.01 -0.75 0.00 0.00 0.00 175.10 173.78 1x64 s LYS 41 N 1.82 3.64 0.00 2.72 2.20 -1.26 0.59 119.74 129.45 1x64 s LYS 41 Ca 0.07 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1x64 s LYS 41 Cb -0.17 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1x64 s LYS 41 CO -0.25 0.01 0.00 0.00 -0.36 0.00 0.00 175.35 174.74 1x64 n ALA 42 N 4.27 0.00 -0.78 3.13 0.00 -1.17 -4.95 120.51 121.01 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 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1x64 n ARG 43 Cb 0.00 -0.16 -0.00 0.00 0.45 0.00 0.00 32.46 32.75 1x64 n ARG 43 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1x64 n ASP 44 N -1.63 4.90 -4.91 6.15 2.03 -1.26 -5.05 116.55 116.77 1x64 n ASP 44 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 1x64 n ASP 44 Cb 0.00 0.78 0.04 0.00 -0.72 0.00 0.00 41.12 41.22 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1x64 s LYS 45 N -2.02 2.73 0.06 -0.67 1.02 -1.26 -5.10 119.74 114.51 1x64 s LYS 45 Ca -0.00 0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.07 1x64 s LYS 45 Cb 0.00 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 1x64 s LYS 45 CO 0.02 -0.89 -0.17 0.71 -0.92 0.00 0.00 175.35 174.09 1x64 s TYR 46 N -3.12 1.48 -0.06 3.18 1.51 -1.26 -3.02 117.35 116.05 1x64 s TYR 46 Ca 0.56 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 56.14 1x64 s TYR 46 Cb -0.11 -0.85 0.02 0.00 -0.11 0.00 0.00 41.96 40.91 1x64 s TYR 46 CO 0.46 0.09 0.23 1.03 -1.11 0.00 0.00 175.55 176.25 1x64 s ARG 47 N -1.42 0.37 1.00 -0.62 1.81 0.20 -3.71 118.95 116.59 1x64 s ARG 47 Ca 0.03 0.13 -0.13 0.00 -1.72 0.00 0.00 55.73 54.04 1x64 s ARG 47 Cb -0.09 0.17 0.11 0.00 -0.45 0.00 0.00 34.95 34.69 1x64 s ARG 47 CO 0.02 -0.07 0.60 0.72 -0.68 0.00 0.00 175.30 175.90 1x64 n HIS 48 N 2.45 -0.83 0.48 -0.53 8.25 -1.26 0.17 115.22 123.95 1x64 n HIS 48 Ca -0.16 0.21 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 1x64 n HIS 48 Cb 0.57 -1.79 0.31 0.00 1.12 0.00 0.00 29.99 30.21 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 -2.84 0.01 -0.01 -0.41 -0.04 -1.26 -2.26 135.00 128.19 1x64 n PRO 49 Ca 0.07 0.27 -0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1x64 n PRO 49 Cb 0.55 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.54 3.21 0.05 0.54 0.28 -1.26 -4.67 120.64 117.25 1x64 n GLU 50 Ca 0.03 -0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.97 1x64 n GLU 50 Cb 0.17 -1.05 0.12 0.00 1.43 0.00 0.00 31.44 32.11 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 -3.95 1.22 -3.83 0.00 7.35 -0.96 -4.83 117.46 112.45 1x64 n PHE 52 Ca -0.02 0.23 -0.07 0.00 -0.76 0.00 0.00 57.45 56.82 1x64 n PHE 52 Cb 0.57 -2.54 -0.00 0.00 0.35 0.00 0.00 39.48 37.86 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 10.11 0.00 1.02 -2.13 -7.23 -1.26 -3.14 120.40 117.77 1x64 s VAL 53 Ca 1.12 -0.96 -0.12 0.00 -1.81 0.00 0.00 61.98 60.21 1x64 s VAL 53 Cb -0.65 -2.37 0.20 0.00 0.56 0.00 0.00 36.38 34.12 1x64 s VAL 53 CO 0.38 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.26 1x64 n ALA 55 N -4.29 3.93 -0.08 0.00 0.00 -1.21 -2.90 120.51 115.96 1x64 n ALA 55 Ca 0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 1x64 n ALA 55 Cb 0.57 -0.54 -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 2.62 -0.00 0.00 -0.08 -1.26 -4.72 116.55 111.74 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 0.23 -0.20 -0.02 0.00 2.34 0.00 0.00 41.12 43.47 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 -1.27 -4.29 -4.84 0.00 5.15 -1.14 -4.88 115.26 103.99 1x64 n ASN 58 Ca 0.00 -0.55 -0.36 0.00 -0.60 0.00 0.00 54.58 53.07 1x64 n ASN 58 Cb 0.05 -4.85 -0.06 0.00 -0.53 0.00 0.00 39.78 34.39 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 -6.61 4.40 -0.03 1.20 2.96 -1.26 -4.41 118.68 114.93 1x64 s LEU 59 Ca 0.30 1.03 -0.34 0.00 -0.22 0.00 0.00 54.13 54.91 1x64 s LEU 59 Cb -0.13 -3.01 -0.12 0.00 0.50 0.00 0.00 46.19 43.43 1x64 s LEU 59 CO 0.69 0.19 1.82 -3.20 -1.32 0.00 0.00 176.35 174.54 1x64 n ASN 60 N 1.19 3.40 -0.02 3.68 2.85 -1.26 -1.13 115.26 123.96 1x64 n ASN 60 Ca -0.08 0.99 0.06 0.00 -0.11 0.00 0.00 54.58 55.44 1x64 n ASN 60 Cb 0.52 -1.39 -0.14 0.00 1.24 0.00 0.00 39.78 40.01 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 5.99 0.00 -0.08 1.20 4.77 -1.19 -4.22 117.00 123.46 1x64 n LEU 61 Ca 0.21 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 1x64 n LEU 61 Cb 0.30 0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1x64 n LEU 61 CO 0.71 0.07 0.41 1.17 -1.33 0.00 0.00 177.39 178.42 1x64 n LYS 62 N -2.20 -0.09 -0.00 3.23 3.00 -1.26 -1.59 118.16 119.26 1x64 n LYS 62 Ca -0.07 0.94 -0.18 0.00 -0.00 0.00 0.00 58.31 58.99 1x64 n LYS 62 Cb 0.56 -1.39 -0.09 0.00 0.00 0.00 0.00 35.03 34.10 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 0.67 -7.44 1.64 3.07 -1.97 -3.46 115.11 107.62 1x64 h GLN 63 Ca 0.03 -0.62 -0.41 0.00 0.09 0.00 0.00 58.65 57.74 1x64 h GLN 63 Cb 0.08 0.15 0.20 0.00 0.08 0.00 0.00 27.48 27.99 1x64 h GLN 63 CO -0.19 1.22 0.15 0.15 0.09 0.00 0.00 178.83 180.25 1x64 s LYS 64 N -3.53 -1.33 -0.29 0.06 1.02 -0.62 -4.97 119.74 110.08 1x64 s LYS 64 Ca -0.11 -0.19 -0.26 0.00 0.02 0.00 0.00 55.97 55.43 1x64 s LYS 64 Cb 0.07 -1.59 0.01 0.00 -0.52 0.00 0.00 37.83 35.79 1x64 s LYS 64 CO 0.89 -3.76 0.90 0.20 -0.92 0.00 0.00 175.35 172.66 1x64 s GLY 65 N -4.05 1.67 0.49 -3.33 0.00 -1.26 -4.80 107.32 96.04 1x64 s GLY 65 Ca 0.72 -0.21 -0.11 0.00 0.00 0.00 0.00 44.72 45.12 1x64 s GLY 65 CO 0.56 1.96 0.89 -2.52 0.00 0.00 0.00 173.10 173.98 1x64 s TYR 66 N 3.17 3.51 0.06 1.90 -0.85 -1.26 -3.39 117.35 120.49 1x64 s TYR 66 Ca 0.38 1.18 0.00 0.00 -0.52 0.00 0.00 57.07 58.10 1x64 s TYR 66 Cb -0.14 -2.57 -0.04 0.00 0.38 0.00 0.00 41.96 39.59 1x64 s TYR 66 CO 0.12 -0.33 -0.04 -0.06 -1.52 0.00 0.00 175.55 173.72 1x64 s PHE 67 N -2.67 0.63 -0.29 -3.49 0.40 -0.99 -4.95 117.98 106.62 1x64 s PHE 67 Ca 0.54 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1x64 s PHE 67 Cb -0.10 -0.42 0.09 0.00 0.51 0.00 0.00 43.02 43.10 1x64 s PHE 67 CO 0.38 -0.27 0.06 -0.06 0.70 0.00 0.00 175.22 176.03 1x64 s PHE 68 N -3.50 2.10 -0.29 0.36 0.08 -1.26 -2.99 117.98 112.48 1x64 s PHE 68 Ca 0.06 -1.88 0.03 0.00 0.12 0.00 0.00 56.93 55.27 1x64 s PHE 68 Cb 0.05 -1.84 0.08 0.00 -0.57 0.00 0.00 43.02 40.73 1x64 s PHE 68 CO -0.07 -0.85 -0.04 0.08 -0.10 0.00 0.00 175.22 174.24 1x64 s VAL 69 N 1.48 2.23 -1.16 -0.44 1.01 0.69 -4.71 120.40 119.50 1x64 s VAL 69 Ca 0.07 -1.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.04 1x64 s VAL 69 Cb -0.18 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1x64 s VAL 69 CO -0.18 -0.27 0.94 -0.62 0.00 0.00 0.00 175.10 174.97 1x64 n GLU 70 N 4.36 -6.41 0.00 2.72 1.02 -1.26 -2.26 120.64 118.82 1x64 n GLU 70 Ca -0.06 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1x64 n GLU 70 Cb 0.42 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 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 -1.73 2.26 3.84 0.62 0.00 -1.26 -4.99 105.19 103.93 1x64 n GLY 71 Ca -0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 3.97 0.33 1.61 2.56 -0.96 -5.01 118.70 121.20 1x64 s GLU 72 Ca 0.00 1.00 0.04 0.00 0.00 0.00 0.00 54.97 56.00 1x64 s GLU 72 Cb 0.00 -2.14 -0.02 0.00 2.00 0.00 0.00 34.13 33.97 1x64 s GLU 72 CO 0.00 -0.25 0.49 -0.51 -0.56 0.00 0.00 175.26 174.43 1x64 s LEU 73 N -3.93 4.03 0.15 2.70 1.43 -1.26 -0.23 118.68 121.58 1x64 s LEU 73 Ca 0.60 0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 53.59 1x64 s LEU 73 Cb -0.10 -2.99 0.07 0.00 0.03 0.00 0.00 46.19 43.20 1x64 s LEU 73 CO 0.28 -0.34 0.66 -0.31 0.23 0.00 0.00 176.35 176.87 1x64 s TYR 74 N -2.22 -0.47 0.55 0.29 2.02 -1.16 -3.33 117.35 113.03 1x64 s TYR 74 Ca 0.41 0.25 -0.08 0.00 -0.37 0.00 0.00 57.07 57.28 1x64 s TYR 74 Cb -0.09 0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 42.01 1x64 s TYR 74 CO 0.33 -0.85 0.90 0.00 -1.57 0.00 0.00 175.55 174.36 1x64 h GLU 76 N -0.05 0.33 0.00 0.00 4.81 -1.92 0.80 114.58 118.55 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 0.22 0.00 2.41 -0.73 0.00 0.00 179.01 181.53 1x64 n THR 77 N -5.03 0.00 0.24 0.32 -1.04 -1.26 -1.57 114.28 105.95 1x64 n THR 77 Ca 0.31 1.30 -0.16 0.00 -2.04 0.00 0.00 64.05 63.47 1x64 n THR 77 Cb 0.98 -2.30 -0.08 0.00 -1.82 0.00 0.00 70.33 67.11 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 -0.93 -0.73 -1.42 3.86 -1.81 -2.86 115.15 111.26 1x64 h HIS 78 Ca 0.00 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.33 1x64 h HIS 78 Cb 0.00 0.36 -0.13 0.00 1.06 0.00 0.00 27.41 28.70 1x64 h HIS 78 CO 0.18 -0.50 -0.37 0.00 0.86 0.00 0.00 177.93 178.10 1x64 h ALA 79 N -0.30 -0.03 -0.91 2.45 0.00 0.48 0.35 119.26 121.30 1x64 h ALA 79 Ca -0.03 0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.30 1x64 h ALA 79 Cb 0.66 0.90 -0.13 0.00 0.00 0.00 0.00 17.79 19.22 1x64 h ALA 79 CO -0.04 -0.69 0.42 0.00 0.00 0.00 0.00 179.25 178.94 1x64 h ARG 80 N -0.12 0.39 -0.65 0.00 3.08 -1.08 0.41 114.38 116.42 1x64 h ARG 80 Ca 0.26 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 1x64 h ARG 80 Cb 0.56 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1x64 h ARG 80 CO -0.79 0.26 0.16 0.00 -1.07 0.00 0.00 179.97 178.53 1x64 h ALA 81 N 1.73 1.05 0.26 0.04 0.00 -0.13 0.61 119.26 122.81 1x64 h ALA 81 Ca 0.58 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1x64 h ALA 81 Cb 1.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1x64 h ALA 81 CO -0.53 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.22 1x64 h ARG 82 N 0.98 -0.33 -0.72 0.00 3.08 0.47 -3.27 114.38 114.59 1x64 h ARG 82 Ca 0.21 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1x64 h ARG 82 Cb 0.35 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1x64 h ARG 82 CO 0.00 -0.22 0.00 -2.37 -1.07 0.00 0.00 179.97 176.31 1x64 n THR 83 N -4.37 0.21 -0.26 2.04 5.66 0.93 -4.42 114.28 114.07 1x64 n THR 83 Ca -0.04 -0.12 0.13 0.00 -3.05 0.00 0.00 64.05 60.97 1x64 n THR 83 Cb 0.14 -0.34 0.26 0.00 -1.55 0.00 0.00 70.33 68.84 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 -0.04 -0.04 -4.08 1.09 2.88 0.21 -2.21 113.62 111.43 1x64 n SER 84 Ca 0.02 1.30 -0.35 0.00 -1.33 0.00 0.00 58.87 58.51 1x64 n SER 84 Cb 0.26 -0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 1x64 n SER 84 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x64 s GLY 85 N -4.19 2.83 0.30 0.46 0.00 -1.26 -5.04 107.32 100.43 1x64 s GLY 85 Ca -0.10 -3.61 -0.29 0.00 0.00 0.00 0.00 44.72 40.72 1x64 s GLY 85 CO 0.60 1.14 1.23 2.56 0.00 0.00 0.00 173.10 178.64 1x64 s PRO 86 N -0.84 4.46 1.04 2.90 0.04 -0.94 -5.00 135.00 136.65 1x64 s PRO 86 Ca 0.23 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 1x64 s PRO 86 Cb -0.12 -3.13 0.21 0.00 0.04 0.00 0.00 34.50 31.50 1x64 s PRO 86 CO -0.09 -0.06 1.02 0.43 0.04 0.00 0.00 177.00 178.35 1x64 n SER 87 N 1.14 -0.75 -0.18 6.66 7.64 -1.26 -4.91 113.62 121.95 1x64 n SER 87 Ca 0.00 0.14 -0.04 0.00 1.01 0.00 0.00 58.87 59.99 1x64 n SER 87 Cb 0.43 -1.36 0.06 0.00 -1.01 0.00 0.00 64.21 62.33 1x64 n SER 87 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1x64 h SER 88 N -2.25 0.44 0.00 6.43 4.64 -2.06 -3.56 113.55 117.20 1x64 h SER 88 Ca -0.52 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1x64 h SER 88 Cb 1.30 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1x64 h SER 88 CO 0.44 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.31