#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrq n LEU 5 N 0.00 0.78 0.12 -3.43 -0.00 -1.26 -4.83 117.00 108.38 2wrq n LEU 5 Ca 0.00 0.73 0.05 0.00 -0.00 0.00 0.00 56.01 56.79 2wrq n LEU 5 Cb 0.00 -0.80 0.01 0.00 -0.00 0.00 0.00 43.42 42.63 2wrq n LEU 5 CO 0.00 -0.71 0.24 0.07 -0.00 0.00 0.00 177.39 176.99 2wrq h LYS 6 N 7.16 0.00 -2.18 1.96 -0.00 -2.10 -3.40 116.57 118.01 2wrq h LYS 6 Ca -0.17 0.00 -0.57 0.00 -0.00 0.00 0.00 60.65 59.91 2wrq h LYS 6 Cb 1.26 0.00 -0.41 0.00 -0.00 0.00 0.00 32.23 33.08 2wrq h LYS 6 CO 0.95 0.28 -0.76 1.17 -0.00 0.00 0.00 179.45 181.10 2wrq n LYS 7 N -3.02 2.41 0.00 0.07 3.00 -1.26 -5.06 118.16 114.30 2wrq n LYS 7 Ca -0.01 -4.41 0.00 0.00 -0.00 0.00 0.00 58.31 53.88 2wrq n LYS 7 Cb 0.70 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.67 2wrq n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wrq n GLY 8 N 0.36 0.96 2.71 3.14 0.00 -1.26 -5.05 105.19 106.06 2wrq n GLY 8 Ca 0.29 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 2wrq n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrq s VAL 9 N -2.15 -0.28 -0.70 1.61 1.01 -1.26 -4.89 120.40 113.74 2wrq s VAL 9 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2wrq s VAL 9 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2wrq s VAL 9 CO 0.00 -0.32 0.03 2.22 0.00 0.00 0.00 175.10 177.03 2wrq n PHE 10 N 5.31 0.00 -1.52 5.22 -1.74 -1.26 -4.69 117.46 118.77 2wrq n PHE 10 Ca -0.05 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.49 2wrq n PHE 10 Cb 0.48 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.37 2wrq n PHE 10 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 2wrq n VAL 11 N -0.25 -0.03 -1.55 1.97 3.14 -1.26 -4.64 118.33 115.70 2wrq n VAL 11 Ca 0.00 -0.39 -0.44 0.00 -2.96 0.00 0.00 64.34 60.55 2wrq n VAL 11 Cb 0.00 -1.40 -0.01 0.00 -1.06 0.00 0.00 33.84 31.37 2wrq n VAL 11 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wrq n ASP 12 N 12.64 0.65 0.04 6.55 10.43 -1.26 -4.92 116.55 140.68 2wrq n ASP 12 Ca 0.54 1.10 -0.13 0.00 2.57 0.00 0.00 54.79 58.87 2wrq n ASP 12 Cb 0.26 -1.23 -0.03 0.00 1.84 0.00 0.00 41.12 41.96 2wrq n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wrq h ASP 13 N 1.60 0.62 0.00 -2.24 3.32 -1.98 -3.29 116.42 114.45 2wrq h ASP 13 Ca -0.39 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.21 2wrq h ASP 13 Cb 1.36 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2wrq h ASP 13 CO 0.58 1.22 0.00 0.00 -1.72 0.00 0.00 179.24 179.32 2wrq n HIS 14 N -3.82 0.00 -0.04 4.55 1.44 -1.26 -2.03 115.22 114.06 2wrq n HIS 14 Ca -0.06 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.60 2wrq n HIS 14 Cb 0.77 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.87 2wrq n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wrq n LEU 15 N -0.43 1.21 0.32 2.39 4.77 -1.24 -4.48 117.00 119.53 2wrq n LEU 15 Ca 0.00 0.20 0.20 0.00 -0.03 0.00 0.00 56.01 56.38 2wrq n LEU 15 Cb 0.00 -0.57 1.07 0.00 -2.33 0.00 0.00 43.42 41.60 2wrq n LEU 15 CO 0.00 -0.42 1.16 -0.07 -1.33 0.00 0.00 177.39 176.74 2wrq h LEU 16 N -0.53 0.00 0.00 2.23 4.07 -1.71 1.47 115.31 120.84 2wrq h LEU 16 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wrq h LEU 16 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2wrq h LEU 16 CO 0.00 0.00 0.00 1.21 -1.08 0.00 0.00 178.44 178.57 2wrq n GLU 17 N -3.30 0.14 0.00 1.13 2.13 -0.86 -0.64 120.64 119.24 2wrq n GLU 17 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2wrq n GLU 17 Cb 0.13 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.40 2wrq n GLU 17 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2wrq n LYS 18 N -0.94 0.00 -0.06 5.31 3.00 0.20 -4.87 118.16 120.80 2wrq n LYS 18 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.23 2wrq n LYS 18 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.01 2wrq n LYS 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wrq n VAL 19 N 0.00 1.19 -0.18 3.15 0.31 0.44 -3.94 118.33 119.30 2wrq n VAL 19 Ca 0.00 0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 2wrq n VAL 19 Cb 0.43 -1.91 0.01 0.00 -0.91 0.00 0.00 33.84 31.46 2wrq n VAL 19 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wrq h LEU 20 N -0.61 0.95 -1.05 7.52 3.38 -1.09 0.33 115.31 124.74 2wrq h LEU 20 Ca -0.19 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 2wrq h LEU 20 Cb 0.95 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2wrq h LEU 20 CO -0.12 1.06 0.19 1.05 0.09 0.00 0.00 178.44 180.72 2wrq h GLU 21 N 0.82 0.87 0.00 1.13 4.11 -1.81 0.61 114.58 120.32 2wrq h GLU 21 Ca 0.14 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2wrq h GLU 21 Cb 0.61 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2wrq h GLU 21 CO 0.04 0.74 0.00 -0.11 0.07 0.00 0.00 179.01 179.75 2wrq n LEU 22 N -4.30 0.39 0.10 3.06 -0.00 -0.96 -2.15 117.00 113.14 2wrq n LEU 22 Ca 0.05 0.57 0.12 0.00 -0.00 0.00 0.00 56.01 56.74 2wrq n LEU 22 Cb 0.19 -0.48 0.01 0.00 -0.00 0.00 0.00 43.42 43.15 2wrq n LEU 22 CO 0.39 -0.28 0.06 -1.13 -0.00 0.00 0.00 177.39 176.43 2wrq h ASN 23 N 0.00 0.00 -2.26 1.96 -1.24 0.41 -1.91 115.58 112.54 2wrq h ASN 23 Ca 0.00 -0.02 -0.65 0.00 0.71 0.00 0.00 56.30 56.34 2wrq h ASN 23 Cb 0.44 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 39.34 2wrq h ASN 23 CO 0.00 0.01 0.87 0.00 -1.29 0.00 0.00 177.43 177.02 2wrq s ALA 24 N -3.35 3.14 0.00 1.57 0.00 0.32 -1.63 121.76 121.82 2wrq s ALA 24 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 51.96 49.65 2wrq s ALA 24 Cb 0.10 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2wrq s ALA 24 CO 0.78 -3.04 0.00 1.63 0.00 0.00 0.00 175.76 175.13 2wrq n LYS 25 N 7.47 0.00 -3.98 0.00 5.02 -1.26 -4.78 118.16 120.63 2wrq n LYS 25 Ca 0.16 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.14 2wrq n LYS 25 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.45 2wrq n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrq n GLY 26 N -1.01 -0.33 0.00 0.72 0.00 -0.64 -4.94 105.19 98.98 2wrq n GLY 26 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wrq n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrq n GLU 27 N -4.03 2.27 0.00 1.61 4.71 -0.72 -4.97 120.64 119.51 2wrq n GLU 27 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 2wrq n GLU 27 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 2wrq n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wrq n LYS 28 N 0.00 0.00 0.00 3.49 4.76 -1.26 -5.02 118.16 120.13 2wrq n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wrq n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wrq n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wrq n ARG 29 N 0.00 0.00 -1.53 1.97 -4.01 -1.26 -4.88 116.66 106.95 2wrq n ARG 29 Ca 0.00 0.00 -0.49 0.00 -1.04 0.00 0.00 57.85 56.32 2wrq n ARG 29 Cb 0.00 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.36 2wrq n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wrq n LEU 30 N 0.00 2.59 -3.22 2.89 0.00 -1.26 -3.94 117.00 114.05 2wrq n LEU 30 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 56.01 56.37 2wrq n LEU 30 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 43.42 42.04 2wrq n LEU 30 CO 0.00 -0.59 -0.09 -0.51 0.00 0.00 0.00 177.39 176.19 2wrq s ILE 31 N 6.78 -0.45 0.45 1.96 2.07 -1.26 -5.08 121.20 125.68 2wrq s ILE 31 Ca 1.05 -1.13 -0.21 0.00 -1.41 0.00 0.00 60.65 58.94 2wrq s ILE 31 Cb -0.74 -0.53 -0.09 0.00 0.13 0.00 0.00 42.46 41.23 2wrq s ILE 31 CO 0.48 -0.50 1.02 -0.54 -1.91 0.00 0.00 174.94 173.49 2wrq s LYS 32 N 1.14 4.00 0.32 3.50 1.02 -1.26 -1.28 119.74 127.18 2wrq s LYS 32 Ca 0.22 1.34 -0.19 0.00 0.02 0.00 0.00 55.97 57.36 2wrq s LYS 32 Cb -0.07 -2.23 0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2wrq s LYS 32 CO -0.06 -0.25 0.76 -0.08 -0.92 0.00 0.00 175.35 174.79 2wrq s THR 33 N -1.94 0.00 0.00 2.17 -1.32 -1.14 -4.90 115.64 108.51 2wrq s THR 33 Ca 0.63 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 2wrq s THR 33 Cb -0.16 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 2wrq s THR 33 CO 0.20 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.40 2wrq n TRP 34 N -0.49 0.00 -0.45 9.09 8.01 -1.26 -3.55 117.44 128.79 2wrq n TRP 34 Ca -0.06 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.08 2wrq n TRP 34 Cb 0.59 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.82 2wrq n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wrq n SER 35 N -1.03 2.35 0.00 -0.99 3.41 -1.26 -4.52 113.62 111.58 2wrq n SER 35 Ca 0.00 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 2wrq n SER 35 Cb 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 2wrq n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wrq n ARG 36 N 2.77 0.00 -3.81 4.33 1.85 -1.26 -2.59 116.66 117.95 2wrq n ARG 36 Ca 0.19 0.25 -0.31 0.00 -1.00 0.00 0.00 57.85 56.99 2wrq n ARG 36 Cb 0.41 -1.70 -0.10 0.00 -1.05 0.00 0.00 32.46 30.02 2wrq n ARG 36 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2wrq s ARG 37 N -2.47 2.76 -0.29 2.89 1.04 -1.26 -1.85 118.95 119.77 2wrq s ARG 37 Ca 0.00 -3.34 -0.00 0.00 -1.04 0.00 0.00 55.73 51.35 2wrq s ARG 37 Cb 0.00 -3.62 0.18 0.00 -2.04 0.00 0.00 34.95 29.47 2wrq s ARG 37 CO 0.00 -1.28 0.54 -1.54 -0.04 0.00 0.00 175.30 172.98 2wrq s SER 38 N -1.01 -1.00 0.63 -2.89 1.04 -1.07 -4.62 113.70 104.78 2wrq s SER 38 Ca 0.26 0.56 -0.17 0.00 0.48 0.00 0.00 55.95 57.08 2wrq s SER 38 Cb -0.05 1.88 -0.10 0.00 0.10 0.00 0.00 66.02 67.84 2wrq s SER 38 CO -0.15 -0.28 0.16 0.41 0.98 0.00 0.00 173.24 174.36 2wrq n THR 39 N 5.41 1.11 -1.70 2.02 -1.04 -1.26 -4.09 114.28 114.73 2wrq n THR 39 Ca -0.00 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.05 61.11 2wrq n THR 39 Cb 0.51 -0.39 -0.03 0.00 -1.82 0.00 0.00 70.33 68.60 2wrq n THR 39 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2wrq n ILE 40 N -1.89 0.25 -3.25 12.58 5.41 -1.07 -4.68 119.36 126.71 2wrq n ILE 40 Ca 0.09 -0.04 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 2wrq n ILE 40 Cb 0.49 -2.10 -0.07 0.00 -0.71 0.00 0.00 39.64 37.24 2wrq n ILE 40 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wrq s VAL 41 N 2.24 5.00 0.29 1.39 1.01 -1.26 -4.87 120.40 124.20 2wrq s VAL 41 Ca 0.80 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 62.07 2wrq s VAL 41 Cb -0.48 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 31.59 2wrq s VAL 41 CO 0.35 -0.60 0.67 -2.65 0.00 0.00 0.00 175.10 172.87 2wrq n PRO 42 N 5.82 0.59 0.00 2.72 -0.02 -1.26 -1.21 135.00 141.65 2wrq n PRO 42 Ca -0.07 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2wrq n PRO 42 Cb 0.46 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2wrq n PRO 42 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wrq n GLU 43 N 0.83 0.00 0.00 -0.52 2.13 -1.26 -4.73 120.64 117.09 2wrq n GLU 43 Ca 0.13 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.96 2wrq n GLU 43 Cb 0.32 -0.09 0.07 0.00 0.27 0.00 0.00 31.44 32.00 2wrq n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2wrq n MET 44 N -0.25 0.08 -0.62 5.31 2.81 -0.35 -4.56 117.12 119.54 2wrq n MET 44 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.58 2wrq n MET 44 Cb 0.00 -1.45 0.20 0.00 -0.71 0.00 0.00 33.22 31.25 2wrq n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2wrq n VAL 45 N -0.95 0.00 0.00 2.03 0.24 -1.26 -1.72 118.33 116.66 2wrq n VAL 45 Ca 0.02 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2wrq n VAL 45 Cb 0.01 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 2wrq n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrq n GLY 46 N 1.16 0.70 3.56 7.63 0.00 -1.24 -4.80 105.19 112.21 2wrq n GLY 46 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2wrq n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wrq s HIS 47 N 0.00 1.20 -0.79 1.61 3.76 -0.70 -4.83 115.29 115.53 2wrq s HIS 47 Ca 0.00 1.24 -0.25 0.00 -0.15 0.00 0.00 55.06 55.89 2wrq s HIS 47 Cb 0.00 -3.73 -0.02 0.00 1.11 0.00 0.00 32.58 29.93 2wrq s HIS 47 CO 0.00 -2.82 1.82 0.99 -0.85 0.00 0.00 174.74 173.88 2wrq s THR 48 N 10.85 3.48 0.62 1.30 2.01 -1.25 -4.72 115.64 127.92 2wrq s THR 48 Ca 0.94 -0.13 -0.17 0.00 0.31 0.00 0.00 61.69 62.64 2wrq s THR 48 Cb -0.20 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 2wrq s THR 48 CO 0.27 -1.09 1.14 -0.63 -0.69 0.00 0.00 174.62 173.63 2wrq s ILE 49 N 8.91 3.01 -0.55 1.82 1.01 -1.08 -4.03 121.20 130.29 2wrq s ILE 49 Ca 0.64 0.55 0.07 0.00 0.00 0.00 0.00 60.65 61.90 2wrq s ILE 49 Cb -0.08 -3.13 0.24 0.00 0.01 0.00 0.00 42.46 39.50 2wrq s ILE 49 CO 0.08 -0.21 0.64 0.00 0.00 0.00 0.00 174.94 175.44 2wrq n ALA 50 N -1.95 3.43 -0.52 9.38 0.00 -0.40 -2.34 120.51 128.10 2wrq n ALA 50 Ca 0.12 -4.23 -0.21 0.00 0.00 0.00 0.00 53.44 49.12 2wrq n ALA 50 Cb 0.51 -0.87 0.16 0.00 0.00 0.00 0.00 19.45 19.25 2wrq n ALA 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrq n VAL 51 N 1.19 0.00 -0.14 0.00 0.31 -1.12 -2.87 118.33 115.70 2wrq n VAL 51 Ca 0.26 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 2wrq n VAL 51 Cb 0.45 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 2wrq n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrq n TYR 52 N -4.51 0.00 0.00 3.52 9.36 -1.23 0.35 117.16 124.65 2wrq n TYR 52 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 2wrq n TYR 52 Cb 0.41 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 2wrq n TYR 52 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2wrq n ASN 53 N 0.00 0.00 0.00 2.98 6.94 -1.26 -4.59 115.26 119.33 2wrq n ASN 53 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2wrq n ASN 53 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2wrq n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wrq n GLY 54 N 0.00 1.12 0.00 4.83 0.00 -1.26 -4.97 105.19 104.92 2wrq n GLY 54 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2wrq n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrq n LYS 55 N 0.00 0.00 -1.58 1.61 3.00 -1.26 -5.11 118.16 114.82 2wrq n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wrq n LYS 55 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 35.03 34.81 2wrq n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wrq n GLN 56 N -1.10 0.60 -3.27 1.64 10.64 -1.26 -5.13 117.38 119.51 2wrq n GLN 56 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2wrq n GLN 56 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 2wrq n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2wrq s HIS 57 N -1.49 3.17 0.05 2.61 3.76 -1.26 -4.08 115.29 118.04 2wrq s HIS 57 Ca 0.00 -0.00 -0.31 0.00 -0.15 0.00 0.00 55.06 54.60 2wrq s HIS 57 Cb 0.00 -2.94 -0.06 0.00 1.11 0.00 0.00 32.58 30.70 2wrq s HIS 57 CO 0.00 -0.60 1.29 0.14 -0.85 0.00 0.00 174.74 174.72 2wrq s VAL 58 N 2.34 3.80 -1.57 -0.90 -7.23 0.16 -4.90 120.40 112.09 2wrq s VAL 58 Ca 0.17 1.25 -0.11 0.00 -1.81 0.00 0.00 61.98 61.48 2wrq s VAL 58 Cb -0.16 -3.80 -0.05 0.00 0.56 0.00 0.00 36.38 32.93 2wrq s VAL 58 CO 0.14 0.06 2.75 -0.81 -0.31 0.00 0.00 175.10 176.93 2wrq n PRO 59 N 4.41 3.45 -2.30 4.82 -0.04 -1.26 -2.78 135.00 141.29 2wrq n PRO 59 Ca 0.11 -2.30 -0.41 0.00 -0.04 0.00 0.00 63.50 60.85 2wrq n PRO 59 Cb 0.45 -2.93 -0.03 0.00 -0.04 0.00 0.00 33.50 30.94 2wrq n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wrq s VAL 60 N 2.48 3.38 0.00 0.52 0.11 -0.99 -4.99 120.40 120.92 2wrq s VAL 60 Ca 0.63 1.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.85 2wrq s VAL 60 Cb 0.17 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2wrq s VAL 60 CO -0.07 0.19 0.00 0.00 -3.33 0.00 0.00 175.10 171.89 2wrq n TYR 61 N 2.41 0.00 -3.64 1.54 9.36 -1.26 -2.62 117.16 122.94 2wrq n TYR 61 Ca 0.05 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.22 2wrq n TYR 61 Cb 0.44 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.08 2wrq n TYR 61 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2wrq s ILE 62 N 1.62 0.00 0.00 2.97 1.10 -1.26 -4.43 121.20 121.20 2wrq s ILE 62 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 2wrq s ILE 62 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 2wrq s ILE 62 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 174.94 173.90 2wrq n THR 63 N 2.35 0.00 -0.09 4.00 5.66 -1.26 -3.69 114.28 121.25 2wrq n THR 63 Ca -0.13 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.76 2wrq n THR 63 Cb 0.57 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.22 2wrq n THR 63 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2wrq n GLU 64 N 0.00 1.03 0.28 1.09 0.28 -1.26 -4.30 120.64 117.76 2wrq n GLU 64 Ca 0.00 0.03 0.18 0.00 -0.16 0.00 0.00 57.16 57.21 2wrq n GLU 64 Cb 0.00 -1.44 0.82 0.00 1.43 0.00 0.00 31.44 32.26 2wrq n GLU 64 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2wrq h ASN 65 N 0.00 0.00 -3.76 -1.84 4.21 -2.07 -3.39 115.58 108.72 2wrq h ASN 65 Ca -0.47 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 56.38 2wrq h ASN 65 Cb 1.97 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 38.98 2wrq h ASN 65 CO -0.00 0.00 -0.47 0.00 -1.29 0.00 0.00 177.43 175.67 2wrq s MET 66 N -3.78 3.63 0.32 0.81 0.23 -1.26 -4.83 119.30 114.42 2wrq s MET 66 Ca -0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 55.69 54.12 2wrq s MET 66 Cb 0.10 -3.77 0.00 0.00 -1.53 0.00 0.00 34.83 29.63 2wrq s MET 66 CO 0.48 -0.38 0.00 0.28 -2.03 0.00 0.00 175.02 173.38 2wrq n VAL 67 N 5.10 0.00 0.00 5.16 0.31 -1.26 -4.70 118.33 122.95 2wrq n VAL 67 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2wrq n VAL 67 Cb 0.50 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 2wrq n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrq n GLY 68 N -0.12 -0.28 3.89 2.92 0.00 -1.26 -2.89 105.19 107.45 2wrq n GLY 68 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wrq n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wrq s HIS 69 N -2.51 3.52 -0.03 1.61 3.76 -1.26 -4.86 115.29 115.52 2wrq s HIS 69 Ca 0.00 0.90 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 2wrq s HIS 69 Cb 0.00 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2wrq s HIS 69 CO 0.00 -0.17 0.01 0.15 -0.85 0.00 0.00 174.74 173.88 2wrq s LYS 70 N -4.27 2.89 0.25 1.40 -0.14 -1.26 -2.60 119.74 116.00 2wrq s LYS 70 Ca 0.49 -0.53 0.08 0.00 -1.36 0.00 0.00 55.97 54.65 2wrq s LYS 70 Cb -0.10 -2.73 0.77 0.00 -1.68 0.00 0.00 37.83 34.08 2wrq s LYS 70 CO 0.38 0.65 1.14 1.28 -0.76 0.00 0.00 175.35 178.04 2wrq n LEU 71 N 1.60 0.09 -0.31 3.17 4.77 -1.25 -0.14 117.00 124.93 2wrq n LEU 71 Ca -0.16 1.21 0.08 0.00 -0.03 0.00 0.00 56.01 57.12 2wrq n LEU 71 Cb 0.53 -0.52 0.24 0.00 -2.33 0.00 0.00 43.42 41.34 2wrq n LEU 71 CO 0.33 -1.29 1.14 1.23 -1.33 0.00 0.00 177.39 177.46 2wrq h GLY 72 N 0.00 1.48 -0.07 -0.72 0.00 -1.69 -0.60 103.07 101.46 2wrq h GLY 72 Ca 0.53 -0.30 0.19 0.00 0.00 0.00 0.00 47.33 47.76 2wrq h GLY 72 CO -0.62 -0.01 0.38 0.83 0.00 0.00 0.00 176.54 177.12 2wrq h GLU 73 N 0.70 0.43 -0.56 4.80 5.08 -0.85 1.08 114.58 125.26 2wrq h GLU 73 Ca 0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2wrq h GLU 73 Cb 0.66 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2wrq h GLU 73 CO -0.35 0.28 0.00 1.19 -1.00 0.00 0.00 179.01 179.14 2wrq n PHE 74 N -5.01 0.66 -3.77 4.33 3.72 -0.26 -4.51 117.46 112.61 2wrq n PHE 74 Ca 0.20 -0.26 -0.30 0.00 -0.05 0.00 0.00 57.45 57.04 2wrq n PHE 74 Cb 0.58 -0.14 -0.14 0.00 -0.94 0.00 0.00 39.48 38.84 2wrq n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wrq s ALA 75 N -1.66 2.08 1.00 4.37 0.00 0.37 -4.83 121.76 123.09 2wrq s ALA 75 Ca 0.22 -2.29 -0.14 0.00 0.00 0.00 0.00 51.96 49.76 2wrq s ALA 75 Cb 0.14 -1.82 0.08 0.00 0.00 0.00 0.00 23.12 21.53 2wrq s ALA 75 CO 0.11 -1.87 0.45 -0.35 0.00 0.00 0.00 175.76 174.09 2wrq n PRO 76 N 4.09 -0.73 0.00 0.00 -0.04 -1.26 -4.84 135.00 132.21 2wrq n PRO 76 Ca 0.04 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2wrq n PRO 76 Cb 0.38 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 2wrq n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wrq n THR 77 N -3.94 0.00 -4.24 0.52 -2.24 -1.26 -4.88 114.28 98.24 2wrq n THR 77 Ca 0.06 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.60 2wrq n THR 77 Cb 0.55 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 68.07 2wrq n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wrq s ARG 78 N -1.69 2.41 0.10 -0.78 0.52 -1.26 -5.01 118.95 113.25 2wrq s ARG 78 Ca 0.00 -1.26 -0.22 0.00 -0.52 0.00 0.00 55.73 53.73 2wrq s ARG 78 Cb 0.00 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 33.12 2wrq s ARG 78 CO 0.00 0.40 0.66 0.99 0.02 0.00 0.00 175.30 177.37 2wrq s THR 79 N -2.08 4.60 -0.25 0.02 2.01 -1.26 -4.58 115.64 114.11 2wrq s THR 79 Ca 0.30 1.42 -0.08 0.00 0.31 0.00 0.00 61.69 63.65 2wrq s THR 79 Cb -0.08 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.44 2wrq s THR 79 CO 0.20 0.53 0.33 0.00 -0.69 0.00 0.00 174.62 174.99 2wrq n TYR 80 N 1.75 -1.85 -2.33 4.92 9.36 -1.26 -5.06 117.16 122.69 2wrq n TYR 80 Ca -0.08 0.74 -0.26 0.00 3.32 0.00 0.00 57.90 61.62 2wrq n TYR 80 Cb 0.50 -2.90 0.15 0.00 -0.63 0.00 0.00 39.34 36.46 2wrq n TYR 80 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2wrq s ARG 81 N -1.97 1.19 0.00 2.98 1.81 -1.26 -5.22 118.95 116.47 2wrq s ARG 81 Ca 0.12 -0.87 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 2wrq s ARG 81 Cb -0.03 -2.13 0.00 0.00 -0.45 0.00 0.00 34.95 32.34 2wrq s ARG 81 CO 0.41 -1.89 0.00 0.41 -0.68 0.00 0.00 175.30 173.55