#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr1 s GLN 2 N 0.00 1.07 0.19 2.12 -2.07 -1.26 -3.10 119.66 116.60 1wr1 s GLN 2 Ca 0.00 -1.53 -0.06 0.00 -1.82 0.00 0.00 55.36 51.95 1wr1 s GLN 2 Cb 0.00 0.10 -0.02 0.00 -1.09 0.00 0.00 33.01 31.99 1wr1 s GLN 2 CO 0.00 -0.27 0.24 0.96 -1.32 0.00 0.00 175.29 174.90 1wr1 s ILE 3 N -3.96 0.04 0.08 3.63 -5.25 -0.31 -0.38 121.20 115.04 1wr1 s ILE 3 Ca 0.29 -1.68 0.07 0.00 -0.99 0.00 0.00 60.65 58.33 1wr1 s ILE 3 Cb 0.07 -2.17 -0.03 0.00 2.95 0.00 0.00 42.46 43.28 1wr1 s ILE 3 CO 0.06 -0.17 -0.18 -0.36 -1.79 0.00 0.00 174.94 172.50 1wr1 s PHE 4 N -4.05 1.56 -0.04 1.37 0.40 0.39 -0.59 117.98 117.02 1wr1 s PHE 4 Ca 0.27 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1wr1 s PHE 4 Cb 0.04 -0.88 0.03 0.00 0.51 0.00 0.00 43.02 42.73 1wr1 s PHE 4 CO 0.06 0.13 0.06 0.08 0.70 0.00 0.00 175.22 176.25 1wr1 s VAL 5 N -1.10 -0.11 -0.27 -0.44 1.01 -0.14 -0.98 120.40 118.37 1wr1 s VAL 5 Ca 0.04 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 1wr1 s VAL 5 Cb -0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 1wr1 s VAL 5 CO 0.03 0.15 0.07 -0.75 0.00 0.00 0.00 175.10 174.60 1wr1 s LYS 6 N 1.90 3.29 0.64 2.72 2.36 -0.05 -0.29 119.74 130.32 1wr1 s LYS 6 Ca 0.01 -0.72 -0.11 0.00 -2.55 0.00 0.00 55.97 52.60 1wr1 s LYS 6 Cb -0.12 -3.33 -0.02 0.00 -1.05 0.00 0.00 37.83 33.31 1wr1 s LYS 6 CO -0.03 -0.34 1.04 -0.08 1.55 0.00 0.00 175.35 177.48 1wr1 s THR 7 N 1.53 4.37 0.47 3.43 -1.32 -0.58 -1.29 115.64 122.26 1wr1 s THR 7 Ca 0.04 0.81 0.18 0.00 -1.21 0.00 0.00 61.69 61.50 1wr1 s THR 7 Cb -0.16 -3.64 0.35 0.00 -1.51 0.00 0.00 72.50 67.53 1wr1 s THR 7 CO 0.02 -0.97 1.99 -0.07 -2.21 0.00 0.00 174.62 173.38 1wr1 h LEU 8 N -0.38 0.23 -1.03 9.08 3.38 -1.90 -2.19 115.31 122.49 1wr1 h LEU 8 Ca -0.44 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1wr1 h LEU 8 Cb 1.20 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1wr1 h LEU 8 CO 0.60 0.14 0.29 0.74 0.09 0.00 0.00 178.44 180.29 1wr1 h THR 9 N 0.26 1.23 0.00 0.22 2.02 -1.93 -3.47 112.91 111.23 1wr1 h THR 9 Ca 0.26 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1wr1 h THR 9 Cb 0.68 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1wr1 h THR 9 CO -0.05 0.28 0.00 0.61 0.37 0.00 0.00 175.52 176.73 1wr1 n GLY 10 N -1.03 0.41 3.75 2.16 0.00 -0.82 -5.14 105.19 104.52 1wr1 n GLY 10 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1wr1 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wr1 s LYS 11 N 0.00 4.32 -0.34 1.61 2.47 -1.26 -4.89 119.74 121.65 1wr1 s LYS 11 Ca 0.00 0.68 -0.16 0.00 -1.56 0.00 0.00 55.97 54.93 1wr1 s LYS 11 Cb 0.00 -3.37 -0.01 0.00 -1.46 0.00 0.00 37.83 32.99 1wr1 s LYS 11 CO 0.00 0.30 0.39 0.99 0.16 0.00 0.00 175.35 177.19 1wr1 s THR 12 N 0.05 5.14 0.41 3.43 2.01 -1.26 -1.52 115.64 123.90 1wr1 s THR 12 Ca 0.30 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.39 1wr1 s THR 12 Cb -0.17 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1wr1 s THR 12 CO 0.16 -0.09 0.71 -0.63 -0.69 0.00 0.00 174.62 174.07 1wr1 s ILE 13 N 2.08 4.94 -0.04 1.82 -1.09 0.60 -4.93 121.20 124.59 1wr1 s ILE 13 Ca 0.13 0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.71 1wr1 s ILE 13 Cb -0.16 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1wr1 s ILE 13 CO 0.12 -0.65 -0.06 -0.89 -1.23 0.00 0.00 174.94 172.22 1wr1 s THR 14 N -2.49 0.63 0.07 2.92 2.01 -1.26 -0.97 115.64 116.55 1wr1 s THR 14 Ca 0.46 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.30 1wr1 s THR 14 Cb -0.10 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1wr1 s THR 14 CO 0.38 0.23 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.64 1wr1 s LEU 15 N 0.62 2.28 -0.56 4.42 1.43 0.24 -5.00 118.68 122.11 1wr1 s LEU 15 Ca -0.09 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 52.31 1wr1 s LEU 15 Cb -0.12 -0.53 0.15 0.00 0.03 0.00 0.00 46.19 45.71 1wr1 s LEU 15 CO 0.01 -0.07 0.42 -0.70 0.23 0.00 0.00 176.35 176.24 1wr1 s GLU 16 N -1.76 2.62 0.46 1.70 2.12 -1.26 -1.16 118.70 121.42 1wr1 s GLU 16 Ca -0.02 -2.09 0.03 0.00 0.36 0.00 0.00 54.97 53.25 1wr1 s GLU 16 Cb -0.10 -3.91 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 1wr1 s GLU 16 CO 0.02 -1.19 0.04 0.14 -0.54 0.00 0.00 175.26 173.73 1wr1 s VAL 17 N 0.75 1.11 0.34 3.70 -7.23 -1.18 -4.98 120.40 112.91 1wr1 s VAL 17 Ca 0.11 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.37 1wr1 s VAL 17 Cb -0.22 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1wr1 s VAL 17 CO -0.03 0.00 0.08 -1.61 -0.31 0.00 0.00 175.10 173.23 1wr1 s GLU 18 N -3.81 2.23 0.66 4.82 2.02 -1.26 -4.01 118.70 119.35 1wr1 s GLU 18 Ca 0.16 -1.64 0.42 0.00 0.02 0.00 0.00 54.97 53.93 1wr1 s GLU 18 Cb 0.03 -2.06 2.28 0.00 0.10 0.00 0.00 34.13 34.48 1wr1 s GLU 18 CO 0.09 0.12 2.30 0.77 0.02 0.00 0.00 175.26 178.56 1wr1 h SER 19 N 1.67 0.00 -0.01 -0.19 0.02 -1.97 -2.51 113.55 110.56 1wr1 h SER 19 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1wr1 h SER 19 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1wr1 h SER 19 CO 0.65 0.00 -0.45 -1.20 -1.14 0.00 0.00 176.83 174.69 1wr1 n SER 20 N -3.10 1.91 -4.74 3.07 7.64 -1.26 -1.39 113.62 115.75 1wr1 n SER 20 Ca -0.03 -1.45 -0.34 0.00 1.01 0.00 0.00 58.87 58.05 1wr1 n SER 20 Cb 0.12 0.49 0.07 0.00 -1.01 0.00 0.00 64.21 63.88 1wr1 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wr1 s ASP 21 N -2.34 4.64 0.52 6.43 1.01 -0.95 -4.88 116.67 121.11 1wr1 s ASP 21 Ca 0.17 2.30 -0.05 0.00 0.71 0.00 0.00 52.55 55.67 1wr1 s ASP 21 Cb 0.17 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 1wr1 s ASP 21 CO 0.53 -1.96 0.83 0.42 0.21 0.00 0.00 175.17 175.20 1wr1 s THR 22 N -1.94 4.46 0.24 -1.27 -4.23 -1.26 -2.57 115.64 109.05 1wr1 s THR 22 Ca 0.74 0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 61.31 1wr1 s THR 22 Cb -0.28 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.06 1wr1 s THR 22 CO 0.41 -0.72 1.88 0.40 -0.54 0.00 0.00 174.62 176.06 1wr1 h ILE 23 N 0.08 1.13 -0.76 2.99 1.08 -1.01 -0.72 117.51 120.30 1wr1 h ILE 23 Ca -0.46 -0.37 0.11 0.00 -0.39 0.00 0.00 64.86 63.74 1wr1 h ILE 23 Cb 1.22 -0.04 -0.08 0.00 -3.07 0.00 0.00 36.82 34.85 1wr1 h ILE 23 CO 0.61 0.20 0.39 -0.78 -0.69 0.00 0.00 178.15 177.88 1wr1 h ASP 24 N 1.08 0.51 -0.25 1.72 3.58 -1.71 -1.90 116.42 119.45 1wr1 h ASP 24 Ca 0.35 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.84 1wr1 h ASP 24 Cb 0.02 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1wr1 h ASP 24 CO -0.12 0.27 0.04 0.78 -2.88 0.00 0.00 179.24 177.32 1wr1 h ASN 25 N 0.63 0.40 0.03 2.28 2.35 -1.62 -2.39 115.58 117.28 1wr1 h ASN 25 Ca 0.39 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1wr1 h ASN 25 Cb 0.44 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1wr1 h ASN 25 CO -0.29 0.57 -0.22 0.58 -1.65 0.00 0.00 177.43 176.42 1wr1 h VAL 26 N 0.23 0.50 -0.71 2.81 2.07 -0.80 -1.87 116.25 118.48 1wr1 h VAL 26 Ca 0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.73 1wr1 h VAL 26 Cb 0.34 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 1wr1 h VAL 26 CO 0.01 0.00 0.25 0.11 0.02 0.00 0.00 177.57 177.95 1wr1 h LYS 27 N -0.36 0.38 0.00 1.57 1.57 -1.37 -0.12 116.57 118.24 1wr1 h LYS 27 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wr1 h LYS 27 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1wr1 h LYS 27 CO -0.18 0.25 0.00 0.43 -0.57 0.00 0.00 179.45 179.38 1wr1 n SER 28 N -5.04 0.54 -0.00 0.86 7.64 -0.85 -1.96 113.62 114.80 1wr1 n SER 28 Ca 0.13 0.68 -0.06 0.00 1.01 0.00 0.00 58.87 60.63 1wr1 n SER 28 Cb 0.39 -0.78 -0.12 0.00 -1.01 0.00 0.00 64.21 62.70 1wr1 n SER 28 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wr1 n LYS 29 N -2.14 0.63 0.13 1.43 4.76 -0.07 -3.68 118.16 119.22 1wr1 n LYS 29 Ca 0.01 0.28 0.05 0.00 -2.87 0.00 0.00 58.31 55.77 1wr1 n LYS 29 Cb 0.14 -1.80 0.50 0.00 -1.84 0.00 0.00 35.03 32.03 1wr1 n LYS 29 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1wr1 h ILE 30 N 0.00 1.08 0.00 -0.18 5.03 -1.22 -1.13 117.51 121.09 1wr1 h ILE 30 Ca -0.24 -0.24 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 1wr1 h ILE 30 Cb 1.87 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 36.51 1wr1 h ILE 30 CO 0.07 0.09 0.00 -0.61 -0.68 0.00 0.00 178.15 177.02 1wr1 h GLN 31 N 0.26 0.00 0.00 2.37 4.15 -1.61 -0.01 115.11 120.27 1wr1 h GLN 31 Ca 0.07 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 1wr1 h GLN 31 Cb 0.06 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1wr1 h GLN 31 CO -0.01 0.00 -0.80 0.22 -1.93 0.00 0.00 178.83 176.31 1wr1 h ASP 32 N 0.00 0.00 0.07 -0.69 3.58 -1.33 -3.12 116.42 114.93 1wr1 h ASP 32 Ca 0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 1wr1 h ASP 32 Cb 0.17 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 1wr1 h ASP 32 CO 0.00 0.61 -2.27 0.29 -2.88 0.00 0.00 179.24 174.99 1wr1 n LYS 33 N -3.17 0.69 0.00 0.28 4.76 -0.17 -4.79 118.16 115.76 1wr1 n LYS 33 Ca -0.01 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1wr1 n LYS 33 Cb 0.80 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 1wr1 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wr1 n GLU 34 N -3.29 2.70 -0.04 1.97 -0.58 -0.30 -5.06 120.64 116.04 1wr1 n GLU 34 Ca -0.39 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 1wr1 n GLU 34 Cb 1.03 -0.68 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 1wr1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wr1 n GLY 35 N 1.14 0.79 3.65 0.62 0.00 -1.15 -5.00 105.19 105.24 1wr1 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wr1 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wr1 s ILE 36 N -2.03 3.19 0.02 -0.61 1.01 -1.26 -4.81 121.20 116.71 1wr1 s ILE 36 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.57 1wr1 s ILE 36 Cb 0.00 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.24 1wr1 s ILE 36 CO 0.00 -0.04 1.56 -2.16 0.00 0.00 0.00 174.94 174.31 1wr1 s PRO 37 N 4.59 4.22 0.24 2.79 0.04 -1.26 -3.92 135.00 141.70 1wr1 s PRO 37 Ca 0.85 2.17 0.18 0.00 0.04 0.00 0.00 61.00 64.25 1wr1 s PRO 37 Cb -0.38 -3.66 0.92 0.00 0.04 0.00 0.00 34.50 31.42 1wr1 s PRO 37 CO 0.37 -0.70 1.56 -0.35 0.04 0.00 0.00 177.00 177.93 1wr1 n PRO 38 N 5.80 0.12 0.09 0.56 -0.04 -1.26 -1.44 135.00 138.84 1wr1 n PRO 38 Ca 0.15 0.54 -0.06 0.00 -0.04 0.00 0.00 63.50 64.09 1wr1 n PRO 38 Cb 0.42 -1.84 0.01 0.00 -0.04 0.00 0.00 33.50 32.05 1wr1 n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1wr1 h ASP 39 N 0.00 0.12 0.54 3.54 3.58 -1.97 -3.35 116.42 118.88 1wr1 h ASP 39 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1wr1 h ASP 39 Cb 0.10 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1wr1 h ASP 39 CO 0.00 0.90 -1.02 0.00 -2.88 0.00 0.00 179.24 176.24 1wr1 n GLN 40 N -3.62 0.34 -3.98 0.28 6.02 -0.52 -4.94 117.38 110.96 1wr1 n GLN 40 Ca -0.02 0.01 -0.28 0.00 -0.01 0.00 0.00 57.00 56.70 1wr1 n GLN 40 Cb 0.79 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 30.37 1wr1 n GLN 40 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1wr1 s GLN 41 N -3.23 3.25 0.24 -1.09 -2.07 -1.17 -0.89 119.66 114.71 1wr1 s GLN 41 Ca 0.03 -0.61 0.10 0.00 -1.82 0.00 0.00 55.36 53.06 1wr1 s GLN 41 Cb 0.14 -2.89 -0.05 0.00 -1.09 0.00 0.00 33.01 29.12 1wr1 s GLN 41 CO 0.79 0.55 -0.18 1.03 -1.32 0.00 0.00 175.29 176.16 1wr1 s ARG 42 N -2.85 1.54 0.08 9.60 0.52 0.06 -4.94 118.95 122.95 1wr1 s ARG 42 Ca 0.33 -1.68 0.05 0.00 -0.52 0.00 0.00 55.73 53.92 1wr1 s ARG 42 Cb -0.12 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.77 1wr1 s ARG 42 CO 0.26 0.28 -0.06 -0.51 0.02 0.00 0.00 175.30 175.30 1wr1 s LEU 43 N -3.35 3.22 -0.11 2.53 1.43 -1.26 -1.10 118.68 120.03 1wr1 s LEU 43 Ca 0.26 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1wr1 s LEU 43 Cb -0.04 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.25 1wr1 s LEU 43 CO 0.12 0.20 -0.07 -0.63 0.23 0.00 0.00 176.35 176.20 1wr1 s ILE 44 N -1.20 0.95 0.02 -0.59 -1.09 -0.30 -0.97 121.20 118.01 1wr1 s ILE 44 Ca 0.22 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1wr1 s ILE 44 Cb -0.11 -0.99 -0.02 0.00 -1.58 0.00 0.00 42.46 39.77 1wr1 s ILE 44 CO 0.14 0.35 -0.03 0.12 -1.23 0.00 0.00 174.94 174.29 1wr1 s PHE 45 N 1.74 0.24 -0.88 3.97 5.36 -0.79 -2.81 117.98 124.82 1wr1 s PHE 45 Ca 0.05 -0.42 -0.05 0.00 -0.96 0.00 0.00 56.93 55.55 1wr1 s PHE 45 Cb -0.13 -0.17 0.04 0.00 -0.34 0.00 0.00 43.02 42.43 1wr1 s PHE 45 CO -0.08 -0.14 0.21 0.00 -1.46 0.00 0.00 175.22 173.75 1wr1 n ALA 46 N 1.89 -0.98 -0.96 11.12 0.00 -1.26 -1.04 120.51 129.28 1wr1 n ALA 46 Ca -0.22 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1wr1 n ALA 46 Cb 0.56 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1wr1 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wr1 n GLY 47 N -0.85 0.45 3.63 0.00 0.00 -1.26 -5.03 105.19 102.13 1wr1 n GLY 47 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1wr1 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wr1 s LYS 48 N -0.50 2.69 -0.23 1.61 -0.14 -0.21 -5.10 119.74 117.86 1wr1 s LYS 48 Ca 0.00 -0.64 -0.29 0.00 -1.36 0.00 0.00 55.97 53.68 1wr1 s LYS 48 Cb 0.00 -2.59 0.00 0.00 -1.68 0.00 0.00 37.83 33.56 1wr1 s LYS 48 CO 0.00 0.62 1.14 -1.14 -0.76 0.00 0.00 175.35 175.21 1wr1 s GLN 49 N -1.36 4.19 0.42 1.68 0.74 -1.26 -1.88 119.66 122.19 1wr1 s GLN 49 Ca 0.17 1.39 -0.23 0.00 0.05 0.00 0.00 55.36 56.75 1wr1 s GLN 49 Cb -0.11 -3.72 -0.09 0.00 1.10 0.00 0.00 33.01 30.19 1wr1 s GLN 49 CO 0.07 -0.74 1.02 -0.51 -0.55 0.00 0.00 175.29 174.58 1wr1 s LEU 50 N 3.47 4.04 -0.05 3.68 1.43 -0.14 -5.01 118.68 126.10 1wr1 s LEU 50 Ca 0.49 1.93 -0.02 0.00 -1.03 0.00 0.00 54.13 55.49 1wr1 s LEU 50 Cb -0.17 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1wr1 s LEU 50 CO 0.12 -0.52 0.09 -0.70 0.23 0.00 0.00 176.35 175.56 1wr1 s GLU 51 N -2.79 3.17 0.26 1.70 -6.30 -1.26 -4.53 118.70 108.95 1wr1 s GLU 51 Ca 0.61 -0.37 -0.02 0.00 -2.50 0.00 0.00 54.97 52.69 1wr1 s GLU 51 Cb -0.18 -2.94 0.45 0.00 0.00 0.00 0.00 34.13 31.46 1wr1 s GLU 51 CO 0.22 0.69 1.85 -0.44 0.02 0.00 0.00 175.26 177.60 1wr1 h ASP 52 N 4.49 0.90 0.25 -1.70 3.32 -1.97 -2.40 116.42 119.31 1wr1 h ASP 52 Ca -0.51 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1wr1 h ASP 52 Cb 1.20 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1wr1 h ASP 52 CO 0.60 0.52 -0.03 0.61 -1.72 0.00 0.00 179.24 179.23 1wr1 n GLY 53 N -1.34 -0.97 3.84 2.75 0.00 -1.26 -2.20 105.19 106.02 1wr1 n GLY 53 Ca 0.16 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1wr1 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr1 s ARG 54 N -2.28 1.49 0.46 1.61 1.81 -0.90 -4.88 118.95 116.26 1wr1 s ARG 54 Ca 0.37 0.18 0.06 0.00 -1.72 0.00 0.00 55.73 54.61 1wr1 s ARG 54 Cb 0.21 -1.89 -0.02 0.00 -0.45 0.00 0.00 34.95 32.80 1wr1 s ARG 54 CO 0.42 -1.93 0.23 0.95 -0.68 0.00 0.00 175.30 174.29 1wr1 s THR 55 N -3.44 2.03 0.14 0.02 -4.23 -1.26 -0.83 115.64 108.06 1wr1 s THR 55 Ca 0.63 -1.65 -0.18 0.00 -1.18 0.00 0.00 61.69 59.31 1wr1 s THR 55 Cb -0.13 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1wr1 s THR 55 CO 0.51 0.00 1.77 -0.07 -0.54 0.00 0.00 174.62 176.29 1wr1 h LEU 56 N 1.21 0.20 -1.88 4.79 -0.00 -1.52 -2.89 115.31 115.22 1wr1 h LEU 56 Ca -0.41 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 57.56 1wr1 h LEU 56 Cb 1.27 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.89 1wr1 h LEU 56 CO 0.66 0.15 0.25 -1.28 -0.00 0.00 0.00 178.44 178.22 1wr1 h SER 57 N 0.29 0.13 -0.79 -0.43 0.87 -1.47 -1.63 113.55 110.51 1wr1 h SER 57 Ca 0.12 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.74 1wr1 h SER 57 Cb 0.04 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 1wr1 h SER 57 CO -0.08 0.08 0.52 -0.78 -0.53 0.00 0.00 176.83 176.04 1wr1 h ASP 58 N 0.14 0.75 -0.61 6.23 3.58 -1.79 -1.28 116.42 123.45 1wr1 h ASP 58 Ca 0.16 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1wr1 h ASP 58 Cb 0.47 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1wr1 h ASP 58 CO -0.02 0.48 0.00 -1.22 -2.88 0.00 0.00 179.24 175.60 1wr1 n TYR 59 N -4.48 1.27 -2.60 0.28 4.01 -0.99 -4.96 117.16 109.70 1wr1 n TYR 59 Ca 0.12 -0.60 -0.18 0.00 -0.16 0.00 0.00 57.90 57.08 1wr1 n TYR 59 Cb 0.23 -0.19 -0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1wr1 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wr1 n ASN 60 N 1.03 -4.86 -4.68 7.72 5.15 -0.48 -4.94 115.26 114.21 1wr1 n ASN 60 Ca 0.24 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.77 1wr1 n ASN 60 Cb 0.81 -4.05 -0.04 0.00 -0.53 0.00 0.00 39.78 35.97 1wr1 n ASN 60 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1wr1 n ILE 61 N -3.80 0.14 -3.06 -1.44 2.08 -0.65 -4.97 119.36 107.66 1wr1 n ILE 61 Ca -0.16 -0.03 -0.18 0.00 0.56 0.00 0.00 62.75 62.94 1wr1 n ILE 61 Cb 0.63 -1.70 0.02 0.00 -0.75 0.00 0.00 39.64 37.84 1wr1 n ILE 61 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1wr1 s GLN 62 N 1.70 2.69 0.63 0.38 -1.52 -1.26 -4.57 119.66 117.71 1wr1 s GLN 62 Ca 0.81 -1.36 -0.18 0.00 -1.95 0.00 0.00 55.36 52.68 1wr1 s GLN 62 Cb -0.64 -2.71 -0.02 0.00 -0.22 0.00 0.00 33.01 29.42 1wr1 s GLN 62 CO 0.40 -0.40 1.27 -1.59 -0.25 0.00 0.00 175.29 174.72 1wr1 s LYS 63 N -4.41 2.68 -1.47 2.91 0.00 -1.26 -2.96 119.74 115.23 1wr1 s LYS 63 Ca 0.56 2.01 0.00 0.00 0.00 0.00 0.00 55.97 58.54 1wr1 s LYS 63 Cb -0.09 -1.88 0.00 0.00 0.00 0.00 0.00 37.83 35.87 1wr1 s LYS 63 CO 0.34 -1.49 0.00 0.39 0.00 0.00 0.00 175.35 174.59 1wr1 n GLU 64 N -1.80 -1.56 -1.83 1.78 1.02 0.49 -4.97 120.64 113.77 1wr1 n GLU 64 Ca 0.15 0.82 -0.37 0.00 -0.02 0.00 0.00 57.16 57.74 1wr1 n GLU 64 Cb 0.48 -5.20 0.05 0.00 -0.02 0.00 0.00 31.44 26.75 1wr1 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wr1 s SER 65 N -2.18 5.10 -0.70 1.62 0.01 -1.15 -4.73 113.70 111.67 1wr1 s SER 65 Ca 0.00 2.64 0.01 0.00 1.31 0.00 0.00 55.95 59.91 1wr1 s SER 65 Cb 0.00 -2.62 0.17 0.00 0.21 0.00 0.00 66.02 63.78 1wr1 s SER 65 CO 0.00 -1.67 0.51 0.42 0.41 0.00 0.00 173.24 172.91 1wr1 s THR 66 N -1.39 3.49 0.70 1.44 -4.23 -1.26 -0.46 115.64 113.94 1wr1 s THR 66 Ca 0.75 -3.58 -0.01 0.00 -1.18 0.00 0.00 61.69 57.68 1wr1 s THR 66 Cb -0.37 -3.27 0.12 0.00 1.34 0.00 0.00 72.50 70.32 1wr1 s THR 66 CO 0.42 -0.95 0.97 -0.76 -0.54 0.00 0.00 174.62 173.76 1wr1 s LEU 67 N -0.78 3.00 0.16 4.79 2.01 -0.15 -4.97 118.68 122.74 1wr1 s LEU 67 Ca 0.22 -0.31 0.09 0.00 0.01 0.00 0.00 54.13 54.14 1wr1 s LEU 67 Cb -0.14 -2.09 -0.04 0.00 0.01 0.00 0.00 46.19 43.92 1wr1 s LEU 67 CO -0.08 -1.78 -0.20 -1.00 1.01 0.00 0.00 176.35 174.29 1wr1 s HIS 68 N -3.10 1.94 0.07 0.29 3.76 -1.12 -0.87 115.29 116.25 1wr1 s HIS 68 Ca 0.65 -0.43 0.08 0.00 -0.15 0.00 0.00 55.06 55.22 1wr1 s HIS 68 Cb -0.06 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.61 1wr1 s HIS 68 CO 0.44 0.34 -0.22 -0.48 -0.85 0.00 0.00 174.74 173.97 1wr1 s LEU 69 N -2.49 2.46 -0.02 0.89 2.34 -0.41 -1.15 118.68 120.29 1wr1 s LEU 69 Ca 0.15 -0.54 0.03 0.00 0.06 0.00 0.00 54.13 53.83 1wr1 s LEU 69 Cb -0.07 -1.42 0.00 0.00 -0.56 0.00 0.00 46.19 44.14 1wr1 s LEU 69 CO 0.07 0.23 -0.10 0.68 -1.06 0.00 0.00 176.35 176.18 1wr1 s VAL 70 N -0.94 0.83 -0.23 1.48 -7.23 -0.26 -3.42 120.40 110.63 1wr1 s VAL 70 Ca 0.14 -0.40 -0.10 0.00 -1.81 0.00 0.00 61.98 59.82 1wr1 s VAL 70 Cb -0.10 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1wr1 s VAL 70 CO 0.05 0.25 0.14 -0.76 -0.31 0.00 0.00 175.10 174.47 1wr1 s LEU 71 N 0.11 4.06 0.59 1.32 2.01 -1.26 -0.76 118.68 124.74 1wr1 s LEU 71 Ca -0.02 0.11 0.34 0.00 0.01 0.00 0.00 54.13 54.57 1wr1 s LEU 71 Cb -0.08 -2.07 1.83 0.00 0.01 0.00 0.00 46.19 45.87 1wr1 s LEU 71 CO 0.00 0.10 2.20 0.08 1.01 0.00 0.00 176.35 179.74 1wr1 h ARG 72 N 7.29 0.00 -0.58 1.70 -0.00 -1.34 -2.42 114.38 119.02 1wr1 h ARG 72 Ca -0.38 0.00 0.09 0.00 -0.00 0.00 0.00 59.98 59.69 1wr1 h ARG 72 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.10 1wr1 h ARG 72 CO 0.68 0.04 0.39 -0.07 -0.00 0.00 0.00 179.97 181.01 1wr1 h LEU 73 N 0.00 0.36 -0.46 0.08 -0.00 -1.88 0.23 115.31 113.64 1wr1 h LEU 73 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1wr1 h LEU 73 Cb 0.18 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1wr1 h LEU 73 CO 0.01 0.22 0.00 0.54 -0.00 0.00 0.00 178.44 179.21 1wr1 n ARG 74 N -4.47 0.09 0.00 1.13 5.12 -0.91 -4.55 116.66 113.07 1wr1 n ARG 74 Ca 0.09 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 1wr1 n ARG 74 Cb 0.36 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1wr1 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wr1 n GLY 75 N -0.37 0.07 0.00 -0.13 0.00 -1.09 -5.14 105.19 98.53 1wr1 n GLY 75 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93