#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v27 n SER 2 N 0.00 -5.47 -3.67 1.61 7.64 -1.26 -5.08 113.62 107.39 1v27 n SER 2 Ca 0.00 1.11 -0.12 0.00 1.01 0.00 0.00 58.87 60.87 1v27 n SER 2 Cb 0.00 -4.39 -0.06 0.00 -1.01 0.00 0.00 64.21 58.75 1v27 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v27 s SER 3 N -1.12 -0.26 0.00 6.43 1.04 -1.26 -5.13 113.70 113.40 1v27 s SER 3 Ca -0.05 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1v27 s SER 3 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1v27 s SER 3 CO 0.62 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1v27 n GLY 4 N 0.38 -1.61 2.80 7.32 0.00 -1.26 -5.04 105.19 107.79 1v27 n GLY 4 Ca -0.18 -1.21 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 1v27 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v27 s SER 5 N -1.12 2.72 0.02 1.61 0.15 -1.26 -5.12 113.70 110.71 1v27 s SER 5 Ca 0.00 -0.67 -0.08 0.00 0.70 0.00 0.00 55.95 55.90 1v27 s SER 5 Cb 0.00 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1v27 s SER 5 CO 0.00 -0.24 0.16 -0.55 1.20 0.00 0.00 173.24 173.81 1v27 s SER 6 N 1.77 0.05 0.04 5.45 0.15 -1.26 -5.08 113.70 114.82 1v27 s SER 6 Ca 0.00 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.37 1v27 s SER 6 Cb -0.16 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.38 1v27 s SER 6 CO -0.07 -0.48 -0.13 -0.83 1.20 0.00 0.00 173.24 172.93 1v27 s GLY 7 N -1.81 0.73 0.00 9.45 0.00 -1.26 -4.74 107.32 109.69 1v27 s GLY 7 Ca -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1v27 s GLY 7 CO -0.02 -0.81 0.00 0.61 0.00 0.00 0.00 173.10 172.88 1v27 n GLY 8 N 1.77 1.03 3.00 0.20 0.00 -1.26 -4.83 105.19 105.10 1v27 n GLY 8 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1v27 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v27 s GLN 9 N 3.27 0.28 -0.01 1.61 -0.21 -1.10 -2.56 119.66 120.94 1v27 s GLN 9 Ca 0.00 -0.30 0.04 0.00 0.02 0.00 0.00 55.36 55.12 1v27 s GLN 9 Cb 0.00 0.11 -0.01 0.00 1.00 0.00 0.00 33.01 34.11 1v27 s GLN 9 CO 0.00 -0.05 -0.13 -1.17 -2.12 0.00 0.00 175.29 171.82 1v27 s LEU 10 N -0.90 2.04 -0.27 2.90 2.96 -1.19 -1.80 118.68 122.42 1v27 s LEU 10 Ca -0.10 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 1v27 s LEU 10 Cb -0.06 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 1v27 s LEU 10 CO 0.00 0.15 0.13 -0.55 -1.32 0.00 0.00 176.35 174.76 1v27 s SER 11 N -0.37 5.55 -0.08 3.68 0.15 -0.53 -0.28 113.70 121.82 1v27 s SER 11 Ca 0.05 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.52 1v27 s SER 11 Cb -0.05 -2.01 0.01 0.00 -1.71 0.00 0.00 66.02 62.26 1v27 s SER 11 CO -0.00 -0.07 -0.13 -0.63 1.20 0.00 0.00 173.24 173.61 1v27 s ILE 12 N 1.67 1.20 -0.35 6.45 1.01 -0.53 -2.23 121.20 128.43 1v27 s ILE 12 Ca 0.06 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 1v27 s ILE 12 Cb -0.16 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 1v27 s ILE 12 CO 0.07 0.37 0.24 -0.75 0.00 0.00 0.00 174.94 174.87 1v27 s LYS 13 N 0.80 3.35 0.11 2.79 2.20 0.13 -3.29 119.74 125.83 1v27 s LYS 13 Ca -0.12 -0.74 0.04 0.00 -0.36 0.00 0.00 55.97 54.79 1v27 s LYS 13 Cb -0.15 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 1v27 s LYS 13 CO 0.02 -0.51 0.08 -0.51 -0.36 0.00 0.00 175.35 174.07 1v27 s LEU 14 N 1.69 3.72 0.03 5.43 1.43 -1.26 0.20 118.68 129.92 1v27 s LEU 14 Ca 0.05 -0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 52.81 1v27 s LEU 14 Cb -0.18 -2.40 0.06 0.00 0.03 0.00 0.00 46.19 43.71 1v27 s LEU 14 CO 0.10 0.14 0.60 0.86 0.23 0.00 0.00 176.35 178.28 1v27 s TRP 15 N -1.47 -0.55 -0.23 0.29 -0.11 0.14 -2.88 118.94 114.12 1v27 s TRP 15 Ca 0.29 0.73 0.01 0.00 1.22 0.00 0.00 56.10 58.35 1v27 s TRP 15 Cb -0.11 0.41 0.06 0.00 -1.50 0.00 0.00 33.47 32.33 1v27 s TRP 15 CO 0.22 -0.67 -0.06 0.12 -4.62 0.00 0.00 176.95 171.93 1v27 s PHE 16 N -2.14 2.44 -1.06 5.86 5.36 -1.26 0.19 117.98 127.37 1v27 s PHE 16 Ca -0.07 -1.75 -0.18 0.00 -0.96 0.00 0.00 56.93 53.97 1v27 s PHE 16 Cb -0.01 -1.60 0.12 0.00 -0.34 0.00 0.00 43.02 41.19 1v27 s PHE 16 CO 0.01 -0.77 1.33 -0.51 -1.46 0.00 0.00 175.22 173.82 1v27 s ASP 17 N 1.38 6.74 0.62 6.13 1.01 0.29 -4.78 116.67 128.06 1v27 s ASP 17 Ca -0.05 -2.23 0.40 0.00 0.71 0.00 0.00 52.55 51.38 1v27 s ASP 17 Cb -0.18 -2.45 2.01 0.00 1.01 0.00 0.00 42.92 43.31 1v27 s ASP 17 CO -0.06 -1.07 2.22 0.07 0.21 0.00 0.00 175.17 176.54 1v27 h LYS 18 N 8.44 0.00 0.00 8.23 -0.00 -1.92 0.64 116.57 131.96 1v27 h LYS 18 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.89 1v27 h LYS 18 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.20 1v27 h LYS 18 CO 1.24 0.00 0.00 0.28 -0.00 0.00 0.00 179.45 180.98 1v27 n VAL 19 N -3.11 0.00 1.16 0.07 0.31 -1.26 -3.09 118.33 112.40 1v27 n VAL 19 Ca -0.02 1.36 0.11 0.00 -0.01 0.00 0.00 64.34 65.79 1v27 n VAL 19 Cb 0.16 -2.24 0.36 0.00 -0.91 0.00 0.00 33.84 31.21 1v27 n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v27 n GLY 20 N -0.90 0.41 3.02 2.92 0.00 -1.19 -4.94 105.19 104.51 1v27 n GLY 20 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 1v27 n GLY 20 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1v27 n HIS 21 N 0.44 -2.13 -4.45 1.61 -0.00 0.19 -4.75 115.22 106.12 1v27 n HIS 21 Ca 0.17 0.75 -0.20 0.00 -0.00 0.00 0.00 57.72 58.43 1v27 n HIS 21 Cb 0.36 -3.93 -0.14 0.00 -0.00 0.00 0.00 29.99 26.28 1v27 n HIS 21 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1v27 s GLN 22 N -4.23 0.95 -0.25 -0.41 -0.21 0.77 0.19 119.66 116.46 1v27 s GLN 22 Ca 0.39 -0.57 -0.16 0.00 0.02 0.00 0.00 55.36 55.04 1v27 s GLN 22 Cb -0.05 -0.93 -0.03 0.00 1.00 0.00 0.00 33.01 33.00 1v27 s GLN 22 CO 0.64 0.24 0.43 -1.17 -2.12 0.00 0.00 175.29 173.31 1v27 s LEU 23 N -0.65 4.07 -0.04 2.90 2.96 0.42 0.10 118.68 128.45 1v27 s LEU 23 Ca 0.03 0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 54.30 1v27 s LEU 23 Cb -0.06 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1v27 s LEU 23 CO 0.00 -0.19 0.22 -0.63 -1.32 0.00 0.00 176.35 174.42 1v27 s ILE 24 N 1.97 5.38 -0.29 6.68 1.09 0.51 0.85 121.20 137.39 1v27 s ILE 24 Ca 0.18 0.16 0.05 0.00 -1.10 0.00 0.00 60.65 59.94 1v27 s ILE 24 Cb -0.15 -3.51 0.19 0.00 -1.06 0.00 0.00 42.46 37.92 1v27 s ILE 24 CO 0.09 0.46 0.56 0.54 -0.10 0.00 0.00 174.94 176.49 1v27 s VAL 25 N -1.20 -0.93 -0.21 2.92 0.11 -0.11 0.23 120.40 121.22 1v27 s VAL 25 Ca 0.23 -0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.09 1v27 s VAL 25 Cb -0.13 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 1v27 s VAL 25 CO 0.12 -0.05 0.31 -0.89 -3.33 0.00 0.00 175.10 171.26 1v27 s THR 26 N 2.78 5.26 -0.90 5.04 2.01 0.55 -2.61 115.64 127.76 1v27 s THR 26 Ca 0.11 0.52 -0.20 0.00 0.31 0.00 0.00 61.69 62.43 1v27 s THR 26 Cb -0.11 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 68.87 1v27 s THR 26 CO -0.26 0.30 1.13 -0.63 -0.69 0.00 0.00 174.62 174.47 1v27 s ILE 27 N 1.13 4.59 0.00 1.82 -1.09 -1.19 0.20 121.20 126.66 1v27 s ILE 27 Ca 0.15 -1.32 0.00 0.00 -2.23 0.00 0.00 60.65 57.25 1v27 s ILE 27 Cb -0.14 -4.79 0.00 0.00 -1.58 0.00 0.00 42.46 35.95 1v27 s ILE 27 CO 0.06 -1.54 0.00 0.18 -1.23 0.00 0.00 174.94 172.41 1v27 n LEU 28 N 6.95 0.00 -3.72 2.97 4.77 -0.94 0.14 117.00 127.17 1v27 n LEU 28 Ca 0.21 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1v27 n LEU 28 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1v27 n LEU 28 CO 0.54 0.00 0.48 -0.83 -1.33 0.00 0.00 177.39 176.25 1v27 s GLY 29 N 0.00 -0.26 0.33 -0.72 0.00 -1.20 0.87 107.32 106.34 1v27 s GLY 29 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 44.72 44.79 1v27 s GLY 29 CO 0.00 0.00 0.32 0.00 0.00 0.00 0.00 173.10 173.43 1v27 s ALA 30 N -3.79 3.91 0.24 3.20 0.00 -0.96 -1.46 121.76 122.90 1v27 s ALA 30 Ca 0.08 -1.60 -0.18 0.00 0.00 0.00 0.00 51.96 50.27 1v27 s ALA 30 Cb -0.04 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.82 1v27 s ALA 30 CO 0.00 0.02 0.58 -1.59 0.00 0.00 0.00 175.76 174.77 1v27 s LYS 31 N -4.02 1.56 -1.48 0.00 0.00 -0.74 -3.28 119.74 111.78 1v27 s LYS 31 Ca 0.41 -0.99 -0.08 0.00 0.00 0.00 0.00 55.97 55.31 1v27 s LYS 31 Cb -0.07 0.54 0.06 0.00 0.00 0.00 0.00 37.83 38.37 1v27 s LYS 31 CO 0.27 -0.68 0.76 -0.25 0.00 0.00 0.00 175.35 175.46 1v27 n ASP 32 N -0.39 -2.72 -4.86 0.03 8.00 -1.26 -2.72 116.55 112.62 1v27 n ASP 32 Ca -0.06 -0.88 -0.31 0.00 0.71 0.00 0.00 54.79 54.25 1v27 n ASP 32 Cb 0.61 -3.55 -0.04 0.00 -0.02 0.00 0.00 41.12 38.12 1v27 n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1v27 s LEU 33 N -7.07 3.81 -0.40 0.64 1.43 -1.26 -4.01 118.68 111.83 1v27 s LEU 33 Ca 0.38 1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 54.52 1v27 s LEU 33 Cb -0.20 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 41.82 1v27 s LEU 33 CO 0.86 -0.43 1.40 -2.16 0.23 0.00 0.00 176.35 176.25 1v27 s PRO 34 N -3.75 3.62 0.00 1.29 0.04 -1.26 -4.99 135.00 129.95 1v27 s PRO 34 Ca 0.55 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1v27 s PRO 34 Cb -0.10 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1v27 s PRO 34 CO 0.28 -1.51 0.00 0.45 0.04 0.00 0.00 177.00 176.26 1v27 n SER 35 N 8.68 0.83 -4.03 6.66 2.88 -1.26 -4.99 113.62 122.38 1v27 n SER 35 Ca 0.16 -0.83 -0.15 0.00 -1.33 0.00 0.00 58.87 56.72 1v27 n SER 35 Cb 0.48 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.97 1v27 n SER 35 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1v27 n ARG 36 N -0.49 0.78 0.00 -1.46 0.00 -1.26 -5.12 116.66 109.12 1v27 n ARG 36 Ca 0.00 -2.25 0.00 0.00 -0.00 0.00 0.00 57.85 55.60 1v27 n ARG 36 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 32.46 32.42 1v27 n ARG 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1v27 n GLU 37 N -1.74 0.00 -2.55 2.89 1.02 -1.26 -4.81 120.64 114.19 1v27 n GLU 37 Ca 0.08 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.86 1v27 n GLU 37 Cb 0.42 -0.01 0.01 0.00 -0.02 0.00 0.00 31.44 31.84 1v27 n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1v27 n ASP 38 N -0.23 6.43 0.00 1.62 5.68 -1.26 -4.87 116.55 123.92 1v27 n ASP 38 Ca 0.00 -3.72 0.00 0.00 -0.50 0.00 0.00 54.79 50.57 1v27 n ASP 38 Cb 0.00 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.05 1v27 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1v27 n GLY 39 N -0.25 3.86 3.14 6.12 0.00 -1.26 -5.18 105.19 111.62 1v27 n GLY 39 Ca 0.44 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1v27 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v27 s ARG 40 N 3.03 0.78 0.00 1.61 1.81 -1.26 -5.08 118.95 119.84 1v27 s ARG 40 Ca 0.00 -1.26 0.00 0.00 -1.72 0.00 0.00 55.73 52.75 1v27 s ARG 40 Cb 0.00 0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.75 1v27 s ARG 40 CO 0.00 -0.20 0.00 -0.35 -0.68 0.00 0.00 175.30 174.07 1v27 n PRO 41 N 0.00 0.69 -4.07 3.54 -0.04 -1.26 -4.40 135.00 129.46 1v27 n PRO 41 Ca -0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.17 1v27 n PRO 41 Cb 0.62 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.01 1v27 n PRO 41 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1v27 n ARG 42 N -0.26 0.40 -3.78 0.54 1.85 -1.26 -4.91 116.66 109.24 1v27 n ARG 42 Ca 0.00 -3.07 -0.35 0.00 -1.00 0.00 0.00 57.85 53.43 1v27 n ARG 42 Cb 0.00 2.42 -0.11 0.00 -1.05 0.00 0.00 32.46 33.72 1v27 n ARG 42 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1v27 s ASN 43 N -3.16 5.04 0.48 2.89 0.01 -1.26 -1.97 114.94 116.98 1v27 s ASN 43 Ca 0.35 -2.74 -0.20 0.00 -0.71 0.00 0.00 52.86 49.55 1v27 s ASN 43 Cb 0.02 -1.80 -0.08 0.00 0.41 0.00 0.00 41.25 39.79 1v27 s ASN 43 CO 0.24 -0.37 1.04 -2.16 -1.51 0.00 0.00 177.10 174.35 1v27 s PRO 44 N 0.10 3.81 -0.28 -0.60 0.04 -1.21 -0.15 135.00 136.72 1v27 s PRO 44 Ca 0.15 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 1v27 s PRO 44 Cb -0.22 -2.11 0.09 0.00 0.04 0.00 0.00 34.50 32.31 1v27 s PRO 44 CO -0.03 -0.42 0.79 1.52 0.04 0.00 0.00 177.00 178.89 1v27 s TYR 45 N -1.97 -0.85 0.51 0.56 -0.85 -0.89 -2.60 117.35 111.27 1v27 s TYR 45 Ca 0.67 1.80 -0.04 0.00 -0.52 0.00 0.00 57.07 58.98 1v27 s TYR 45 Cb -0.17 0.47 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 1v27 s TYR 45 CO 0.20 -0.42 0.80 0.08 -1.52 0.00 0.00 175.55 174.70 1v27 s VAL 46 N 1.14 4.29 -0.24 -3.49 1.01 -1.26 -2.33 120.40 119.51 1v27 s VAL 46 Ca -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1v27 s VAL 46 Cb -0.05 -3.64 0.13 0.00 0.00 0.00 0.00 36.38 32.82 1v27 s VAL 46 CO -0.13 -0.61 0.34 -0.75 0.00 0.00 0.00 175.10 173.95 1v27 s LYS 47 N -4.79 0.32 0.27 2.72 2.20 -0.74 -3.73 119.74 115.99 1v27 s LYS 47 Ca 0.50 0.36 -0.07 0.00 -0.36 0.00 0.00 55.97 56.39 1v27 s LYS 47 Cb -0.10 -0.64 -0.06 0.00 -1.51 0.00 0.00 37.83 35.51 1v27 s LYS 47 CO 0.43 -0.72 0.56 0.42 -0.36 0.00 0.00 175.35 175.68 1v27 s ILE 48 N 2.48 4.98 -0.31 5.43 1.01 0.38 -2.39 121.20 132.78 1v27 s ILE 48 Ca 0.11 0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.05 1v27 s ILE 48 Cb -0.15 -3.68 0.17 0.00 0.01 0.00 0.00 42.46 38.81 1v27 s ILE 48 CO -0.18 -0.22 0.45 -0.31 0.00 0.00 0.00 174.94 174.68 1v27 s TYR 49 N -1.98 -1.12 -0.68 3.97 2.02 -1.00 -3.08 117.35 115.48 1v27 s TYR 49 Ca 0.46 0.31 -0.26 0.00 -0.37 0.00 0.00 57.07 57.20 1v27 s TYR 49 Cb -0.11 -0.07 -0.02 0.00 -0.40 0.00 0.00 41.96 41.36 1v27 s TYR 49 CO 0.26 -1.02 1.82 0.12 -1.57 0.00 0.00 175.55 175.17 1v27 s PHE 50 N 2.41 1.75 0.68 2.71 5.36 -1.19 -2.91 117.98 126.80 1v27 s PHE 50 Ca 0.11 0.67 -0.14 0.00 -0.96 0.00 0.00 56.93 56.61 1v27 s PHE 50 Cb -0.12 -4.14 0.01 0.00 -0.34 0.00 0.00 43.02 38.44 1v27 s PHE 50 CO -0.25 -2.19 1.10 -0.51 -1.46 0.00 0.00 175.22 171.91 1v27 s LEU 51 N 8.91 3.30 0.00 6.12 1.02 -0.74 -4.54 118.68 132.75 1v27 s LEU 51 Ca 0.65 1.94 0.00 0.00 0.02 0.00 0.00 54.13 56.73 1v27 s LEU 51 Cb -0.11 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.56 1v27 s LEU 51 CO 0.16 -1.70 0.00 -0.81 0.02 0.00 0.00 176.35 174.02 1v27 n PRO 52 N -2.69 -0.42 -0.16 1.29 -0.04 -1.26 -3.82 135.00 127.91 1v27 n PRO 52 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1v27 n PRO 52 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1v27 n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1v27 n ASP 53 N -2.83 -2.40 -3.31 3.54 -0.08 -1.26 -5.03 116.55 105.18 1v27 n ASP 53 Ca 0.00 0.07 -0.22 0.00 -1.51 0.00 0.00 54.79 53.13 1v27 n ASP 53 Cb 0.00 0.44 -0.08 0.00 2.34 0.00 0.00 41.12 43.82 1v27 n ASP 53 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1v27 s ARG 54 N -3.77 0.80 0.05 -0.67 3.52 -1.26 -4.68 118.95 112.94 1v27 s ARG 54 Ca 0.00 -1.55 0.00 0.00 -0.13 0.00 0.00 55.73 54.05 1v27 s ARG 54 Cb 0.00 -1.06 0.00 0.00 -1.56 0.00 0.00 34.95 32.33 1v27 s ARG 54 CO 0.00 -1.31 0.00 0.43 -0.81 0.00 0.00 175.30 173.61 1v27 n SER 55 N 3.38 -0.46 -0.08 -2.12 7.64 -1.26 -5.17 113.62 115.55 1v27 n SER 55 Ca 0.21 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1v27 n SER 55 Cb 0.46 0.84 0.00 0.00 -1.01 0.00 0.00 64.21 64.50 1v27 n SER 55 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1v27 n ASP 56 N -2.57 0.00 0.00 6.43 5.68 -1.26 -4.99 116.55 119.84 1v27 n ASP 56 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1v27 n ASP 56 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1v27 n ASP 56 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1v27 n LYS 57 N 0.00 0.00 -1.05 0.11 5.02 -1.26 -3.80 118.16 117.18 1v27 n LYS 57 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1v27 n LYS 57 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 1v27 n LYS 57 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1v27 n ASN 58 N 4.67 6.02 -4.43 4.39 0.23 -1.26 -4.88 115.26 120.00 1v27 n ASN 58 Ca 0.00 -3.35 -0.34 0.00 -0.53 0.00 0.00 54.58 50.36 1v27 n ASN 58 Cb 0.00 -0.94 -0.13 0.00 -2.08 0.00 0.00 39.78 36.63 1v27 n ASN 58 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1v27 s LYS 59 N -2.70 3.54 -0.07 -3.83 2.20 -1.25 -3.14 119.74 114.49 1v27 s LYS 59 Ca 0.46 -0.59 0.05 0.00 -0.36 0.00 0.00 55.97 55.53 1v27 s LYS 59 Cb 0.37 -2.83 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 1v27 s LYS 59 CO 0.02 0.17 -0.24 1.03 -0.36 0.00 0.00 175.35 175.98 1v27 s ARG 60 N 0.51 2.69 0.06 4.03 1.81 -1.18 -5.00 118.95 121.86 1v27 s ARG 60 Ca -0.05 -0.88 0.02 0.00 -1.72 0.00 0.00 55.73 53.10 1v27 s ARG 60 Cb -0.15 -2.22 -0.03 0.00 -0.45 0.00 0.00 34.95 32.10 1v27 s ARG 60 CO 0.03 0.35 -0.08 0.50 -0.68 0.00 0.00 175.30 175.42 1v27 s ARG 61 N -0.07 0.61 0.34 3.54 3.52 -1.26 -0.47 118.95 125.15 1v27 s ARG 61 Ca -0.06 -0.90 0.06 0.00 -0.13 0.00 0.00 55.73 54.69 1v27 s ARG 61 Cb -0.14 -0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 32.95 1v27 s ARG 61 CO 0.05 0.04 0.48 0.95 -0.81 0.00 0.00 175.30 176.01 1v27 s THR 62 N -1.93 4.15 0.45 4.11 -4.23 -1.24 -5.02 115.64 111.92 1v27 s THR 62 Ca -0.04 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.28 1v27 s THR 62 Cb -0.06 -3.45 -0.08 0.00 1.34 0.00 0.00 72.50 70.25 1v27 s THR 62 CO -0.01 -0.19 1.38 -1.59 -0.54 0.00 0.00 174.62 173.68 1v27 s LYS 63 N -4.20 3.67 -0.41 3.99 -2.85 -1.26 -4.75 119.74 113.92 1v27 s LYS 63 Ca 0.45 2.32 -0.29 0.00 -1.00 0.00 0.00 55.97 57.45 1v27 s LYS 63 Cb -0.10 -2.61 0.02 0.00 -2.06 0.00 0.00 37.83 33.09 1v27 s LYS 63 CO 0.32 -0.80 1.10 0.99 0.10 0.00 0.00 175.35 177.06 1v27 s THR 64 N -1.24 4.34 0.30 3.79 2.01 -1.26 -4.82 115.64 118.77 1v27 s THR 64 Ca 0.62 1.40 -0.27 0.00 0.31 0.00 0.00 61.69 63.74 1v27 s THR 64 Cb -0.42 -4.52 -0.10 0.00 0.01 0.00 0.00 72.50 67.48 1v27 s THR 64 CO 0.53 -0.79 0.96 -0.69 -0.69 0.00 0.00 174.62 173.94 1v27 s VAL 65 N 4.09 4.08 -0.11 3.82 1.01 -1.07 -5.02 120.40 127.21 1v27 s VAL 65 Ca 0.46 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 64.28 1v27 s VAL 65 Cb -0.09 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1v27 s VAL 65 CO 0.25 0.26 -0.04 -0.54 0.00 0.00 0.00 175.10 175.02 1v27 s LYS 66 N -1.77 3.17 -0.04 2.72 -0.14 -1.26 -3.31 119.74 119.11 1v27 s LYS 66 Ca 0.47 -0.51 -0.02 0.00 -1.36 0.00 0.00 55.97 54.55 1v27 s LYS 66 Cb -0.22 -2.76 0.00 0.00 -1.68 0.00 0.00 37.83 33.18 1v27 s LYS 66 CO 0.28 0.50 0.04 1.63 -0.76 0.00 0.00 175.35 177.04 1v27 n LYS 67 N 2.74 -0.52 -3.16 1.68 5.02 -0.83 -4.96 118.16 118.13 1v27 n LYS 67 Ca -0.18 0.91 0.06 0.00 -2.02 0.00 0.00 58.31 57.07 1v27 n LYS 67 Cb 0.53 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.25 1v27 n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1v27 s THR 68 N -1.06 -0.10 -0.42 -0.18 -1.32 -1.10 -4.96 115.64 106.50 1v27 s THR 68 Ca 0.02 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.77 1v27 s THR 68 Cb -0.00 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.31 1v27 s THR 68 CO 0.10 0.00 1.75 -0.07 -2.21 0.00 0.00 174.62 174.19 1v27 h LEU 69 N 7.89 0.00 -6.93 9.08 3.38 -1.95 -3.37 115.31 123.41 1v27 h LEU 69 Ca -0.11 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.25 1v27 h LEU 69 Cb 1.17 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.52 1v27 h LEU 69 CO -0.18 0.00 -0.73 -1.61 0.09 0.00 0.00 178.44 176.00 1v27 s GLU 70 N -3.29 1.55 0.69 1.13 2.02 -1.26 -4.01 118.70 115.54 1v27 s GLU 70 Ca 0.06 -2.39 -0.11 0.00 0.02 0.00 0.00 54.97 52.56 1v27 s GLU 70 Cb 0.09 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.82 1v27 s GLU 70 CO 0.57 -1.23 1.06 -1.25 0.02 0.00 0.00 175.26 174.44 1v27 s PRO 71 N -0.17 2.94 -0.34 0.39 0.04 -1.20 -4.86 135.00 131.79 1v27 s PRO 71 Ca 0.22 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.23 1v27 s PRO 71 Cb -0.15 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.54 1v27 s PRO 71 CO -0.07 -1.10 0.31 0.15 0.04 0.00 0.00 177.00 176.32 1v27 s LYS 72 N -5.04 0.52 -0.11 4.56 1.02 -1.26 -2.27 119.74 117.15 1v27 s LYS 72 Ca 0.58 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.66 1v27 s LYS 72 Cb -0.14 -0.86 -0.26 0.00 -0.52 0.00 0.00 37.83 36.04 1v27 s LYS 72 CO 0.55 -1.15 0.46 -1.49 -0.92 0.00 0.00 175.35 172.80 1v27 h TRP 73 N 7.41 0.44 -6.19 3.18 6.55 0.41 -3.47 115.95 124.27 1v27 h TRP 73 Ca -0.01 -0.32 -0.40 0.00 0.95 0.00 0.00 58.89 59.11 1v27 h TRP 73 Cb 1.04 -0.02 -0.25 0.00 -0.86 0.00 0.00 29.16 29.07 1v27 h TRP 73 CO 0.34 1.65 -0.57 0.09 -1.05 0.00 0.00 178.44 178.89 1v27 n ASN 74 N -3.79 -1.45 -3.03 -3.49 3.02 0.36 -4.86 115.26 102.03 1v27 n ASN 74 Ca -0.28 -0.64 -0.14 0.00 -0.03 0.00 0.00 54.58 53.49 1v27 n ASN 74 Cb 0.95 -1.30 0.09 0.00 -0.61 0.00 0.00 39.78 38.91 1v27 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v27 n GLN 75 N -3.32 -0.43 -4.31 3.52 1.13 -1.14 -4.85 117.38 107.98 1v27 n GLN 75 Ca 0.08 -1.11 -0.18 0.00 -1.94 0.00 0.00 57.00 53.85 1v27 n GLN 75 Cb 0.43 -0.60 -0.14 0.00 0.11 0.00 0.00 30.24 30.05 1v27 n GLN 75 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1v27 s THR 76 N -2.20 0.83 -0.12 5.09 2.01 -1.26 -3.19 115.64 116.80 1v27 s THR 76 Ca 0.36 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 1v27 s THR 76 Cb -0.01 -0.75 0.06 0.00 0.01 0.00 0.00 72.50 71.81 1v27 s THR 76 CO 0.25 0.04 0.18 -0.36 -0.69 0.00 0.00 174.62 174.04 1v27 s PHE 77 N -0.63 -0.20 -0.15 4.92 0.08 -1.07 -4.97 117.98 115.95 1v27 s PHE 77 Ca 0.01 0.50 -0.04 0.00 0.12 0.00 0.00 56.93 57.52 1v27 s PHE 77 Cb -0.06 -0.29 -0.03 0.00 -0.57 0.00 0.00 43.02 42.07 1v27 s PHE 77 CO 0.00 -0.37 -0.01 0.42 -0.10 0.00 0.00 175.22 175.16 1v27 s ILE 78 N 2.30 4.14 -0.23 0.64 1.01 -1.26 -0.93 121.20 126.88 1v27 s ILE 78 Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1v27 s ILE 78 Cb -0.13 -2.82 0.05 0.00 0.01 0.00 0.00 42.46 39.57 1v27 s ILE 78 CO -0.08 0.50 -0.11 -0.31 0.00 0.00 0.00 174.94 174.94 1v27 s TYR 79 N 0.22 2.84 0.09 3.97 2.02 0.25 -4.88 117.35 121.86 1v27 s TYR 79 Ca -0.01 -1.96 -0.08 0.00 -0.37 0.00 0.00 57.07 54.65 1v27 s TYR 79 Cb -0.13 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1v27 s TYR 79 CO 0.02 -0.82 0.18 -1.54 -1.57 0.00 0.00 175.55 171.82 1v27 s SER 80 N 1.25 0.15 0.30 2.29 1.04 -1.26 0.16 113.70 117.63 1v27 s SER 80 Ca -0.05 -0.72 -0.28 0.00 0.48 0.00 0.00 55.95 55.38 1v27 s SER 80 Cb -0.18 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.18 1v27 s SER 80 CO -0.07 -0.74 1.07 -2.16 0.98 0.00 0.00 173.24 172.33 1v27 s PRO 81 N -3.88 4.56 -0.08 4.02 0.04 -1.26 -5.06 135.00 133.34 1v27 s PRO 81 Ca 0.07 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 1v27 s PRO 81 Cb 0.05 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.55 1v27 s PRO 81 CO -0.09 0.17 -0.02 0.08 0.04 0.00 0.00 177.00 177.17 1v27 s VAL 82 N -1.27 0.53 0.26 -0.36 1.01 0.50 -4.98 120.40 116.10 1v27 s VAL 82 Ca 0.47 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.52 1v27 s VAL 82 Cb -0.29 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1v27 s VAL 82 CO 0.37 0.28 0.32 -1.00 0.00 0.00 0.00 175.10 175.08 1v27 s HIS 83 N 1.82 3.28 0.24 5.22 3.76 -1.26 -3.67 115.29 124.69 1v27 s HIS 83 Ca 0.04 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1v27 s HIS 83 Cb -0.12 -1.58 0.28 0.00 1.11 0.00 0.00 32.58 32.26 1v27 s HIS 83 CO -0.05 0.40 1.63 -0.09 -0.85 0.00 0.00 174.74 175.78 1v27 h ARG 84 N 1.23 0.52 0.00 1.40 9.65 -1.99 -2.41 114.38 122.79 1v27 h ARG 84 Ca -0.50 -0.25 -0.01 0.00 -1.10 0.00 0.00 59.98 58.13 1v27 h ARG 84 Cb 1.24 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1v27 h ARG 84 CO 0.60 0.81 -0.03 0.07 2.80 0.00 0.00 179.97 184.22 1v27 h ARG 85 N 0.44 0.00 -0.09 0.20 0.11 -2.01 -2.99 114.38 110.04 1v27 h ARG 85 Ca 0.05 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.98 1v27 h ARG 85 Cb 0.83 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.90 1v27 h ARG 85 CO 0.07 0.03 -0.58 0.93 0.10 0.00 0.00 179.97 180.51 1v27 h GLU 86 N 0.00 0.30 -1.36 0.08 4.39 -1.83 -3.09 114.58 113.07 1v27 h GLU 86 Ca -0.00 -0.20 0.43 0.00 0.34 0.00 0.00 59.36 59.93 1v27 h GLU 86 Cb 0.78 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.35 1v27 h GLU 86 CO 0.00 0.80 0.90 0.74 -1.16 0.00 0.00 179.01 180.30 1v27 h PHE 87 N 0.23 0.43 -0.52 4.33 -1.00 -1.38 1.67 116.94 120.71 1v27 h PHE 87 Ca -0.00 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1v27 h PHE 87 Cb 1.09 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 1v27 h PHE 87 CO 0.03 -0.14 0.23 -0.09 -1.61 0.00 0.00 178.31 176.73 1v27 h ARG 88 N 0.10 0.76 -0.49 1.51 2.43 -1.74 -2.34 114.38 114.61 1v27 h ARG 88 Ca 0.79 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.84 1v27 h ARG 88 Cb 2.59 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 32.01 1v27 h ARG 88 CO -0.32 0.64 0.00 0.39 -1.51 0.00 0.00 179.97 179.17 1v27 n GLU 89 N -4.57 2.49 -3.89 0.20 1.02 0.41 -4.82 120.64 111.49 1v27 n GLU 89 Ca 0.02 -2.28 -0.27 0.00 -0.02 0.00 0.00 57.16 54.61 1v27 n GLU 89 Cb 0.13 -1.52 -0.17 0.00 -0.02 0.00 0.00 31.44 29.87 1v27 n GLU 89 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1v27 s ARG 90 N -1.36 1.41 0.04 3.49 3.00 0.47 -4.58 118.95 121.43 1v27 s ARG 90 Ca 0.41 -0.35 0.05 0.00 0.00 0.00 0.00 55.73 55.85 1v27 s ARG 90 Cb 0.23 -1.74 -0.02 0.00 0.00 0.00 0.00 34.95 33.41 1v27 s ARG 90 CO 0.31 -0.35 -0.15 1.41 0.00 0.00 0.00 175.30 176.52 1v27 s MET 91 N 1.70 1.00 0.23 3.54 -2.45 -1.25 -3.42 119.30 118.65 1v27 s MET 91 Ca 0.03 -0.81 -0.06 0.00 -1.25 0.00 0.00 55.69 53.60 1v27 s MET 91 Cb -0.14 -1.04 -0.06 0.00 1.25 0.00 0.00 34.83 34.84 1v27 s MET 91 CO -0.08 0.26 0.50 -0.51 1.05 0.00 0.00 175.02 176.24 1v27 s LEU 92 N -1.20 4.15 -0.30 4.11 1.43 0.06 -1.79 118.68 125.14 1v27 s LEU 92 Ca 0.02 0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1v27 s LEU 92 Cb -0.08 -3.51 0.11 0.00 0.03 0.00 0.00 46.19 42.73 1v27 s LEU 92 CO 0.01 -0.09 0.15 -0.70 0.23 0.00 0.00 176.35 175.95 1v27 s GLU 93 N -3.07 0.23 -0.03 1.70 2.12 -1.14 -2.25 118.70 116.25 1v27 s GLU 93 Ca 0.44 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 55.14 1v27 s GLU 93 Cb -0.11 -1.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.09 1v27 s GLU 93 CO 0.26 -1.04 0.16 0.42 -0.54 0.00 0.00 175.26 174.51 1v27 s ILE 94 N 2.00 5.33 -0.09 -3.70 1.09 0.13 -2.37 121.20 123.58 1v27 s ILE 94 Ca 0.10 -0.13 -0.07 0.00 -1.10 0.00 0.00 60.65 59.45 1v27 s ILE 94 Cb -0.17 -3.45 0.03 0.00 -1.06 0.00 0.00 42.46 37.82 1v27 s ILE 94 CO -0.33 0.39 0.23 0.42 -0.10 0.00 0.00 174.94 175.54 1v27 s THR 95 N -1.25 -0.01 -0.18 2.92 -4.23 -1.00 0.19 115.64 112.08 1v27 s THR 95 Ca 0.24 0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.74 1v27 s THR 95 Cb -0.12 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 1v27 s THR 95 CO 0.15 0.02 0.04 -0.22 -0.54 0.00 0.00 174.62 174.07 1v27 s LEU 96 N 0.50 3.69 0.00 4.79 2.96 -0.71 -1.79 118.68 128.11 1v27 s LEU 96 Ca -0.03 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 1v27 s LEU 96 Cb -0.05 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1v27 s LEU 96 CO -0.03 0.17 0.18 0.79 -1.32 0.00 0.00 176.35 176.14 1v27 n TRP 97 N 3.55 -0.24 -4.12 5.38 7.02 -0.98 0.76 117.44 128.81 1v27 n TRP 97 Ca -0.17 -2.31 -0.23 0.00 -1.02 0.00 0.00 57.50 53.78 1v27 n TRP 97 Cb 0.52 0.11 -0.17 0.00 -2.42 0.00 0.00 31.31 29.35 1v27 n TRP 97 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1v27 s ASP 98 N -3.07 1.48 -1.21 -0.99 2.15 -1.26 -2.09 116.67 111.67 1v27 s ASP 98 Ca 0.25 -0.19 -0.20 0.00 0.43 0.00 0.00 52.55 52.84 1v27 s ASP 98 Cb 0.01 -0.60 -0.02 0.00 -0.30 0.00 0.00 42.92 42.01 1v27 s ASP 98 CO 0.18 -0.08 1.88 1.67 -0.17 0.00 0.00 175.17 178.65 1v27 n GLN 99 N 4.40 2.33 0.00 4.34 0.00 0.79 -4.02 117.38 125.21 1v27 n GLN 99 Ca -0.18 -2.73 0.00 0.00 -0.00 0.00 0.00 57.00 54.08 1v27 n GLN 99 Cb 0.51 -3.51 0.00 0.00 0.00 0.00 0.00 30.24 27.23 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v27 n ALA 100 N 10.54 0.00 -0.35 1.69 0.00 -1.26 -4.53 120.51 126.60 1v27 n ALA 100 Ca 0.48 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 1v27 n ALA 100 Cb 0.45 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.16 1v27 n ALA 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1v27 n ARG 101 N -0.36 -3.80 -4.49 0.00 5.12 -1.26 -5.03 116.66 106.85 1v27 n ARG 101 Ca 0.00 -1.12 -0.28 0.00 -1.93 0.00 0.00 57.85 54.53 1v27 n ARG 101 Cb 0.00 -1.87 -0.13 0.00 -1.16 0.00 0.00 32.46 29.30 1v27 n ARG 101 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1v27 s VAL 102 N -2.16 2.03 -1.52 1.55 0.11 -1.26 -4.72 120.40 114.42 1v27 s VAL 102 Ca 0.61 -1.57 -0.05 0.00 -2.93 0.00 0.00 61.98 58.04 1v27 s VAL 102 Cb -0.14 -1.79 0.04 0.00 -1.53 0.00 0.00 36.38 32.96 1v27 s VAL 102 CO 0.54 0.12 0.39 0.54 -3.33 0.00 0.00 175.10 173.36 1v27 n ARG 103 N 1.23 -2.58 -2.66 1.54 1.74 -1.26 -4.90 116.66 109.78 1v27 n ARG 103 Ca -0.18 0.31 -0.06 0.00 -0.77 0.00 0.00 57.85 57.15 1v27 n ARG 103 Cb 0.53 -4.41 0.01 0.00 -1.02 0.00 0.00 32.46 27.57 1v27 n ARG 103 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1v27 n GLU 104 N -4.43 0.63 -1.24 5.56 2.13 -1.26 -5.05 120.64 116.98 1v27 n GLU 104 Ca -0.22 -1.34 -0.07 0.00 0.66 0.00 0.00 57.16 56.19 1v27 n GLU 104 Cb 0.64 1.61 0.13 0.00 0.27 0.00 0.00 31.44 34.08 1v27 n GLU 104 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1v27 n GLU 105 N -0.31 2.44 -2.49 5.31 2.13 -1.26 -4.94 120.64 121.53 1v27 n GLU 105 Ca -0.04 -3.67 -0.43 0.00 0.66 0.00 0.00 57.16 53.68 1v27 n GLU 105 Cb 0.34 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.17 1v27 n GLU 105 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1v27 n GLU 106 N -0.92 3.18 -3.46 5.31 -0.58 -1.26 -4.96 120.64 117.95 1v27 n GLU 106 Ca 0.29 -3.26 -0.33 0.00 -0.42 0.00 0.00 57.16 53.45 1v27 n GLU 106 Cb 0.82 -3.39 -0.05 0.00 -0.57 0.00 0.00 31.44 28.25 1v27 n GLU 106 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1v27 s SER 107 N 3.77 6.66 0.00 1.62 0.01 -1.26 -4.02 113.70 120.48 1v27 s SER 107 Ca 0.51 0.89 0.20 0.00 1.31 0.00 0.00 55.95 58.86 1v27 s SER 107 Cb 0.05 -2.22 -0.13 0.00 0.21 0.00 0.00 66.02 63.94 1v27 s SER 107 CO 0.04 0.03 0.91 -1.84 0.41 0.00 0.00 173.24 172.78 1v27 n GLU 108 N 0.29 0.91 -2.25 12.44 0.28 -1.26 -5.00 120.64 126.04 1v27 n GLU 108 Ca -0.03 -0.40 0.00 0.00 -0.16 0.00 0.00 57.16 56.58 1v27 n GLU 108 Cb 0.52 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.97 1v27 n GLU 108 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1v27 n PHE 109 N -0.87 -3.84 0.02 -1.84 7.35 -1.26 -4.91 117.46 112.11 1v27 n PHE 109 Ca 0.06 2.29 -0.03 0.00 -0.76 0.00 0.00 57.45 59.00 1v27 n PHE 109 Cb 0.36 -3.22 -0.10 0.00 0.35 0.00 0.00 39.48 36.87 1v27 n PHE 109 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1v27 h LEU 110 N 4.25 0.00 0.00 -2.13 3.38 0.04 -3.47 115.31 117.38 1v27 h LEU 110 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1v27 h LEU 110 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1v27 h LEU 110 CO 0.00 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.88 1v27 n GLY 111 N 1.43 -2.22 2.88 0.83 0.00 -0.68 -4.09 105.19 103.34 1v27 n GLY 111 Ca -0.11 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 1v27 n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1v27 s GLU 112 N -1.93 0.18 -0.23 1.61 -1.05 0.41 -1.75 118.70 115.95 1v27 s GLU 112 Ca 0.00 -0.04 0.01 0.00 -0.15 0.00 0.00 54.97 54.80 1v27 s GLU 112 Cb 0.00 -0.22 0.06 0.00 -0.44 0.00 0.00 34.13 33.53 1v27 s GLU 112 CO 0.00 0.01 -0.08 0.42 0.95 0.00 0.00 175.26 176.56 1v27 s ILE 113 N 0.18 1.73 -0.16 1.83 1.01 0.51 -2.23 121.20 124.07 1v27 s ILE 113 Ca -0.01 -1.30 -0.06 0.00 0.00 0.00 0.00 60.65 59.28 1v27 s ILE 113 Cb -0.03 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1v27 s ILE 113 CO -0.00 -0.02 0.05 -0.76 0.00 0.00 0.00 174.94 174.20 1v27 s LEU 114 N 1.31 3.80 -0.05 2.97 2.01 -1.26 0.20 118.68 127.66 1v27 s LEU 114 Ca -0.06 0.12 -0.00 0.00 0.01 0.00 0.00 54.13 54.19 1v27 s LEU 114 Cb -0.19 -1.94 0.03 0.00 0.01 0.00 0.00 46.19 44.10 1v27 s LEU 114 CO -0.06 0.23 -0.00 -0.63 1.01 0.00 0.00 176.35 176.90 1v27 s ILE 115 N 0.03 0.30 -0.34 -0.59 1.01 -0.96 -5.00 121.20 115.65 1v27 s ILE 115 Ca 0.05 0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.61 1v27 s ILE 115 Cb -0.12 -0.43 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 1v27 s ILE 115 CO 0.01 0.21 0.57 -1.61 0.00 0.00 0.00 174.94 174.12 1v27 s GLU 116 N 1.52 3.69 0.53 2.79 2.02 -1.26 -0.76 118.70 127.23 1v27 s GLU 116 Ca -0.02 -0.01 0.33 0.00 0.02 0.00 0.00 54.97 55.29 1v27 s GLU 116 Cb -0.13 -3.79 1.50 0.00 0.10 0.00 0.00 34.13 31.80 1v27 s GLU 116 CO -0.03 -0.66 1.84 -0.07 0.02 0.00 0.00 175.26 176.36 1v27 h LEU 117 N 9.20 0.03 -0.02 1.80 3.38 -1.70 1.20 115.31 129.19 1v27 h LEU 117 Ca -0.27 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1v27 h LEU 117 Cb 1.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1v27 h LEU 117 CO 0.80 0.01 -0.13 -0.08 0.09 0.00 0.00 178.44 179.12 1v27 h GLU 118 N 0.02 -0.20 -0.36 1.13 4.81 -1.72 -2.76 114.58 115.50 1v27 h GLU 118 Ca 0.50 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.61 1v27 h GLU 118 Cb 1.97 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 31.32 1v27 h GLU 118 CO -0.02 -0.13 0.00 0.25 -0.73 0.00 0.00 179.01 178.38 1v27 n THR 119 N -5.26 2.50 -2.49 0.32 -2.24 0.67 -4.96 114.28 102.82 1v27 n THR 119 Ca -0.05 -2.35 -0.43 0.00 -2.27 0.00 0.00 64.05 58.95 1v27 n THR 119 Cb 0.18 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 1v27 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v27 s ALA 120 N -3.09 3.46 -0.92 6.98 0.00 0.38 -4.85 121.76 123.73 1v27 s ALA 120 Ca 0.45 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.28 1v27 s ALA 120 Cb 0.39 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1v27 s ALA 120 CO 0.04 -1.57 1.89 -0.48 0.00 0.00 0.00 175.76 175.64 1v27 s LEU 121 N 4.00 3.21 -0.32 0.00 0.05 -1.26 -4.92 118.68 119.44 1v27 s LEU 121 Ca 0.53 -0.77 -0.15 0.00 0.05 0.00 0.00 54.13 53.79 1v27 s LEU 121 Cb -0.16 -2.56 -0.02 0.00 -2.05 0.00 0.00 46.19 41.40 1v27 s LEU 121 CO 0.19 -2.60 0.37 -0.76 -0.55 0.00 0.00 176.35 173.00 1v27 s LEU 122 N 9.49 4.28 0.00 1.48 1.43 -1.26 -4.83 118.68 129.27 1v27 s LEU 122 Ca 0.67 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.76 1v27 s LEU 122 Cb -0.06 -2.37 0.06 0.00 0.03 0.00 0.00 46.19 43.86 1v27 s LEU 122 CO -0.02 -0.29 0.84 -0.67 0.23 0.00 0.00 176.35 176.44 1v27 n ASP 123 N 5.38 -0.07 -4.05 2.29 2.03 -1.25 -4.92 116.55 115.95 1v27 n ASP 123 Ca -0.09 -1.62 -0.30 0.00 0.52 0.00 0.00 54.79 53.30 1v27 n ASP 123 Cb 0.50 -0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.85 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1v27 n ASP 124 N 0.07 -1.67 -4.14 1.67 2.03 -1.14 -4.95 116.55 108.43 1v27 n ASP 124 Ca -0.05 -1.00 -0.16 0.00 0.52 0.00 0.00 54.79 54.10 1v27 n ASP 124 Cb 0.69 -2.99 -0.12 0.00 -0.72 0.00 0.00 41.12 37.99 1v27 n ASP 124 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1v27 s GLU 125 N -6.71 0.72 -0.07 -0.67 -1.05 -1.26 -5.02 118.70 104.65 1v27 s GLU 125 Ca 0.31 -0.91 -0.30 0.00 -0.15 0.00 0.00 54.97 53.92 1v27 s GLU 125 Cb -0.17 -0.62 -0.03 0.00 -0.44 0.00 0.00 34.13 32.87 1v27 s GLU 125 CO 0.90 0.13 1.23 -1.25 0.95 0.00 0.00 175.26 177.22 1v27 s PRO 126 N -1.80 4.33 -0.04 -4.83 0.04 -1.26 -4.31 135.00 127.12 1v27 s PRO 126 Ca -0.04 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.74 1v27 s PRO 126 Cb -0.09 -3.59 -0.00 0.00 0.04 0.00 0.00 34.50 30.86 1v27 s PRO 126 CO 0.01 -0.50 -0.17 -1.58 0.04 0.00 0.00 177.00 174.81 1v27 s HIS 127 N 2.41 1.71 -0.37 0.56 2.46 -1.21 -4.99 115.29 115.88 1v27 s HIS 127 Ca 0.56 -0.50 -0.17 0.00 0.47 0.00 0.00 55.06 55.43 1v27 s HIS 127 Cb -0.25 -1.16 -0.00 0.00 -0.13 0.00 0.00 32.58 31.04 1v27 s HIS 127 CO 0.21 -0.17 0.44 -1.58 -2.47 0.00 0.00 174.74 171.17 1v27 s TRP 128 N 0.05 3.18 -0.35 3.88 0.52 -1.26 -1.45 118.94 123.52 1v27 s TRP 128 Ca -0.04 -0.04 -0.10 0.00 0.02 0.00 0.00 56.10 55.94 1v27 s TRP 128 Cb -0.12 -2.83 0.02 0.00 -1.15 0.00 0.00 33.47 29.39 1v27 s TRP 128 CO 0.02 -0.55 0.17 0.71 0.02 0.00 0.00 176.95 177.33 1v27 s TYR 129 N 2.20 3.22 0.51 -1.98 2.02 0.62 -4.89 117.35 119.05 1v27 s TYR 129 Ca 0.15 -0.93 -0.20 0.00 -0.37 0.00 0.00 57.07 55.72 1v27 s TYR 129 Cb -0.16 -2.39 -0.10 0.00 -0.40 0.00 0.00 41.96 38.91 1v27 s TYR 129 CO 0.13 -0.61 0.60 1.63 -1.57 0.00 0.00 175.55 175.74 1v27 n LYS 130 N 4.96 0.64 -3.50 -0.62 4.01 -1.26 -3.15 118.16 119.24 1v27 n LYS 130 Ca -0.13 0.24 -0.37 0.00 -0.51 0.00 0.00 58.31 57.55 1v27 n LYS 130 Cb 0.47 -1.70 -0.06 0.00 -0.51 0.00 0.00 35.03 33.23 1v27 n LYS 130 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1v27 s LEU 131 N 0.79 4.42 -0.15 -0.35 1.43 -1.06 -4.80 118.68 118.96 1v27 s LEU 131 Ca 0.67 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.68 1v27 s LEU 131 Cb -0.50 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 1v27 s LEU 131 CO 0.55 0.25 -0.08 -1.10 0.23 0.00 0.00 176.35 176.21 1v27 s GLN 132 N -1.43 3.51 -0.66 1.70 -1.52 -0.95 -4.77 119.66 115.55 1v27 s GLN 132 Ca 0.28 -0.60 0.05 0.00 -1.95 0.00 0.00 55.36 53.14 1v27 s GLN 132 Cb -0.16 -2.80 0.16 0.00 -0.22 0.00 0.00 33.01 29.99 1v27 s GLN 132 CO 0.16 0.18 0.44 0.95 -0.25 0.00 0.00 175.29 176.76 1v27 s THR 133 N 0.50 2.72 -0.29 -0.19 -4.23 -1.26 -0.44 115.64 112.44 1v27 s THR 133 Ca -0.06 -4.03 0.04 0.00 -1.18 0.00 0.00 61.69 56.46 1v27 s THR 133 Cb -0.15 -2.81 0.18 0.00 1.34 0.00 0.00 72.50 71.07 1v27 s THR 133 CO 0.03 -0.98 0.52 -2.28 -0.54 0.00 0.00 174.62 171.38 1v27 s HIS 134 N -1.17 -1.51 0.66 3.99 5.04 -1.26 -5.04 115.29 116.00 1v27 s HIS 134 Ca 0.24 0.85 -0.17 0.00 -1.54 0.00 0.00 55.06 54.44 1v27 s HIS 134 Cb -0.08 0.16 -0.07 0.00 0.04 0.00 0.00 32.58 32.63 1v27 s HIS 134 CO -0.14 -1.03 0.45 -0.25 -2.34 0.00 0.00 174.74 171.43 1v27 n ASP 135 N 5.40 -1.44 -1.89 9.88 8.00 -1.26 -4.49 116.55 130.75 1v27 n ASP 135 Ca 0.03 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1v27 n ASP 135 Cb 0.52 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1v27 n ASP 135 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1v27 n SER 136 N 0.28 -7.12 -4.42 -2.24 7.64 -1.26 -5.08 113.62 101.42 1v27 n SER 136 Ca 0.10 1.24 -0.21 0.00 1.01 0.00 0.00 58.87 61.02 1v27 n SER 136 Cb 0.49 -3.85 -0.11 0.00 -1.01 0.00 0.00 64.21 59.73 1v27 n SER 136 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v27 s GLY 137 N -0.40 1.96 0.83 0.23 0.00 -1.26 -5.15 107.32 103.53 1v27 s GLY 137 Ca 0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 44.72 42.61 1v27 s GLY 137 CO 0.00 -1.78 1.11 2.56 0.00 0.00 0.00 173.10 174.99 1v27 s PRO 138 N -3.89 1.78 -0.30 2.90 0.04 -1.26 -5.08 135.00 129.19 1v27 s PRO 138 Ca 0.35 0.52 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 1v27 s PRO 138 Cb 0.08 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 32.94 1v27 s PRO 138 CO 0.14 -1.81 1.29 -1.12 0.04 0.00 0.00 177.00 175.54 1v27 s SER 139 N -3.95 -0.03 -0.03 6.66 0.01 -1.26 -5.18 113.70 109.92 1v27 s SER 139 Ca 0.62 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.63 1v27 s SER 139 Cb -0.14 1.02 0.11 0.00 0.21 0.00 0.00 66.02 67.21 1v27 s SER 139 CO 0.54 -0.01 0.91 -0.44 0.41 0.00 0.00 173.24 174.65 1v27 s SER 140 N 1.26 -0.36 0.00 2.44 0.01 -1.26 -5.35 113.70 110.44 1v27 s SER 140 Ca -0.06 0.05 0.17 0.00 1.31 0.00 0.00 55.95 57.42 1v27 s SER 140 Cb -0.02 0.37 0.14 0.00 0.21 0.00 0.00 66.02 66.72 1v27 s SER 140 CO -0.11 -0.58 1.05 0.61 0.41 0.00 0.00 173.24 174.62