#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrq s VAL 2 N 0.00 4.98 0.55 3.17 0.11 -1.26 -0.94 120.40 127.00 2wrq s VAL 2 Ca 0.00 0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.36 2wrq s VAL 2 Cb 0.00 -4.02 0.04 0.00 -1.53 0.00 0.00 36.38 30.87 2wrq s VAL 2 CO 0.00 -0.31 0.34 0.29 -3.33 0.00 0.00 175.10 172.09 2wrq n LYS 3 N 5.85 0.68 -3.50 1.54 5.02 -1.10 -1.28 118.16 125.36 2wrq n LYS 3 Ca -0.04 -3.56 -0.27 0.00 -2.02 0.00 0.00 58.31 52.43 2wrq n LYS 3 Cb 0.49 0.50 -0.09 0.00 -0.02 0.00 0.00 35.03 35.90 2wrq n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2wrq n ILE 4 N -1.71 0.67 -0.83 -0.18 5.41 0.19 -2.14 119.36 120.77 2wrq n ILE 4 Ca -0.06 -4.44 0.00 0.00 1.00 0.00 0.00 62.75 59.25 2wrq n ILE 4 Cb 0.64 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 2wrq n ILE 4 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2wrq n ARG 5 N 1.75 3.49 -4.21 0.38 1.85 -0.93 -3.60 116.66 115.39 2wrq n ARG 5 Ca 0.25 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.97 2wrq n ARG 5 Cb 0.43 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.74 2wrq n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wrq s LEU 6 N 0.00 2.51 -0.09 2.89 1.02 -1.26 -1.63 118.68 122.12 2wrq s LEU 6 Ca 0.00 -0.99 0.03 0.00 0.02 0.00 0.00 54.13 53.19 2wrq s LEU 6 Cb 0.00 -0.25 0.01 0.00 0.02 0.00 0.00 46.19 45.97 2wrq s LEU 6 CO 0.00 -0.37 -0.19 0.00 0.02 0.00 0.00 176.35 175.81 2wrq s ALA 7 N -3.34 1.82 -0.91 4.21 0.00 -1.02 -4.73 121.76 117.78 2wrq s ALA 7 Ca 0.14 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 2wrq s ALA 7 Cb 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.44 2wrq s ALA 7 CO -0.01 0.18 1.48 0.50 0.00 0.00 0.00 175.76 177.90 2wrq s ARG 8 N 0.54 3.33 0.51 0.00 3.52 -1.26 -1.85 118.95 123.73 2wrq s ARG 8 Ca -0.16 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 54.79 2wrq s ARG 8 Cb -0.17 -4.97 0.05 0.00 -1.56 0.00 0.00 34.95 28.30 2wrq s ARG 8 CO 0.06 -2.34 0.71 -0.06 -0.81 0.00 0.00 175.30 172.85 2wrq s PHE 9 N 5.92 2.29 0.00 5.12 0.08 -1.26 -4.96 117.98 125.16 2wrq s PHE 9 Ca 0.47 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.09 2wrq s PHE 9 Cb -0.03 -2.44 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 2wrq s PHE 9 CO -0.01 -0.82 0.00 0.41 -0.10 0.00 0.00 175.22 174.70 2wrq n GLY 10 N -2.13 -0.85 0.00 4.36 0.00 -1.26 -2.14 105.19 103.17 2wrq n GLY 10 Ca 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2wrq n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wrq n SER 11 N -0.79 0.00 -4.81 1.61 7.64 -1.08 -4.67 113.62 111.52 2wrq n SER 11 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 2wrq n SER 11 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2wrq n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2wrq s LYS 12 N 0.00 4.24 0.00 1.43 2.20 -1.26 -3.55 119.74 122.80 2wrq s LYS 12 Ca 0.00 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 2wrq s LYS 12 Cb 0.00 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 2wrq s LYS 12 CO 0.00 0.47 0.00 0.72 -0.36 0.00 0.00 175.35 176.18 2wrq n HIS 13 N 1.00 0.00 -3.14 4.03 8.25 -1.26 -4.78 115.22 119.32 2wrq n HIS 13 Ca -0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.09 2wrq n HIS 13 Cb 0.51 -0.91 -0.04 0.00 1.12 0.00 0.00 29.99 30.67 2wrq n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wrq n ASN 14 N 0.00 5.00 -4.67 0.41 5.15 -1.23 -5.08 115.26 114.84 2wrq n ASN 14 Ca 0.00 -3.51 -0.31 0.00 -0.60 0.00 0.00 54.58 50.16 2wrq n ASN 14 Cb 0.00 -0.86 0.16 0.00 -0.53 0.00 0.00 39.78 38.55 2wrq n ASN 14 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wrq s PRO 15 N -2.95 1.04 -0.22 1.20 0.02 -1.26 -2.62 135.00 130.20 2wrq s PRO 15 Ca 0.39 1.38 0.08 0.00 0.02 0.00 0.00 61.00 62.87 2wrq s PRO 15 Cb 0.15 -1.74 0.25 0.00 0.02 0.00 0.00 34.50 33.18 2wrq s PRO 15 CO -0.01 -2.56 1.16 0.72 -0.33 0.00 0.00 177.00 175.98 2wrq n HIS 16 N -4.17 -1.32 -0.54 6.54 8.25 -0.91 -4.65 115.22 118.43 2wrq n HIS 16 Ca 0.10 -1.10 -0.18 0.00 -0.26 0.00 0.00 57.72 56.29 2wrq n HIS 16 Cb 0.53 1.20 0.01 0.00 1.12 0.00 0.00 29.99 32.85 2wrq n HIS 16 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2wrq n TYR 17 N -0.94 -1.86 -3.87 4.41 4.02 -1.12 -4.40 117.16 113.40 2wrq n TYR 17 Ca -0.11 0.11 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 2wrq n TYR 17 Cb 0.74 -0.74 -0.17 0.00 -0.02 0.00 0.00 39.34 39.15 2wrq n TYR 17 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2wrq s ARG 18 N -0.68 1.33 -0.01 -0.72 3.52 -0.77 -2.34 118.95 119.28 2wrq s ARG 18 Ca 0.23 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 55.10 2wrq s ARG 18 Cb -0.17 -1.89 -0.07 0.00 -1.56 0.00 0.00 34.95 31.26 2wrq s ARG 18 CO 0.35 -0.42 1.69 0.42 -0.81 0.00 0.00 175.30 176.53 2wrq s ILE 19 N 1.68 3.37 0.25 4.11 -1.09 0.37 -2.43 121.20 127.45 2wrq s ILE 19 Ca 0.01 0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 58.82 2wrq s ILE 19 Cb -0.15 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.38 2wrq s ILE 19 CO -0.08 -0.04 0.59 0.54 -1.23 0.00 0.00 174.94 174.73 2wrq s VAL 20 N 3.72 0.01 -0.12 2.92 0.11 -0.64 -2.19 120.40 124.20 2wrq s VAL 20 Ca 0.75 -1.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.64 2wrq s VAL 20 Cb -0.36 -1.95 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 2wrq s VAL 20 CO 0.32 -0.03 0.19 0.54 -3.33 0.00 0.00 175.10 172.79 2wrq s VAL 21 N -3.94 5.41 -0.29 2.04 0.11 -1.17 -2.20 120.40 120.37 2wrq s VAL 21 Ca 0.14 0.32 -0.22 0.00 -2.93 0.00 0.00 61.98 59.29 2wrq s VAL 21 Cb -0.03 -3.47 0.14 0.00 -1.53 0.00 0.00 36.38 31.50 2wrq s VAL 21 CO 0.05 0.58 1.09 0.28 -3.33 0.00 0.00 175.10 173.77 2wrq s THR 22 N -0.77 0.00 -0.85 5.04 -1.32 -0.91 -0.98 115.64 115.86 2wrq s THR 22 Ca 0.15 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.41 2wrq s THR 22 Cb -0.13 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.68 2wrq s THR 22 CO 0.05 0.00 2.15 -0.67 -2.21 0.00 0.00 174.62 173.94 2wrq n ASP 23 N 2.61 0.92 0.00 8.08 -0.08 -1.26 -2.73 116.55 124.09 2wrq n ASP 23 Ca -0.14 -1.74 0.00 0.00 -1.51 0.00 0.00 54.79 51.39 2wrq n ASP 23 Cb 0.57 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.55 2wrq n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wrq n ALA 24 N 16.51 0.00 0.31 -1.67 0.00 -0.12 -1.36 120.51 134.17 2wrq n ALA 24 Ca 0.43 0.00 0.19 0.00 0.00 0.00 0.00 53.44 54.06 2wrq n ALA 24 Cb 0.42 0.00 0.98 0.00 0.00 0.00 0.00 19.45 20.85 2wrq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrq h ARG 25 N 0.00 0.00 -6.35 0.00 3.08 -1.87 -3.44 114.38 105.80 2wrq h ARG 25 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 2wrq h ARG 25 Cb 0.00 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.23 2wrq h ARG 25 CO 0.00 0.00 -0.73 0.54 -1.07 0.00 0.00 179.97 178.71 2wrq n ARG 26 N -3.17 -2.05 -3.65 0.04 5.12 -0.47 -4.95 116.66 107.54 2wrq n ARG 26 Ca -0.02 -0.60 -0.38 0.00 -1.93 0.00 0.00 57.85 54.93 2wrq n ARG 26 Cb 0.25 -1.57 -0.06 0.00 -1.16 0.00 0.00 32.46 29.92 2wrq n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2wrq s LYS 27 N -3.48 3.73 0.00 5.56 -2.85 -1.26 -4.96 119.74 116.48 2wrq s LYS 27 Ca 0.46 0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.63 2wrq s LYS 27 Cb -0.08 -3.21 0.00 0.00 -2.06 0.00 0.00 37.83 32.49 2wrq s LYS 27 CO 0.50 0.72 0.17 -2.13 0.10 0.00 0.00 175.35 174.72 2wrq n ARG 28 N 1.86 0.00 0.00 1.78 0.63 -1.26 0.26 116.66 119.93 2wrq n ARG 28 Ca -0.16 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2wrq n ARG 28 Cb 0.53 -0.39 0.00 0.00 0.45 0.00 0.00 32.46 33.06 2wrq n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wrq n ASP 29 N -0.59 0.16 -4.86 6.15 10.43 -1.26 -4.71 116.55 121.87 2wrq n ASP 29 Ca 0.00 -1.13 -0.31 0.00 2.57 0.00 0.00 54.79 55.92 2wrq n ASP 29 Cb 0.00 -0.08 -0.02 0.00 1.84 0.00 0.00 41.12 42.86 2wrq n ASP 29 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2wrq s GLY 30 N -1.16 1.90 0.06 0.44 0.00 0.72 -4.94 107.32 104.35 2wrq s GLY 30 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 2wrq s GLY 30 CO 0.00 0.29 0.72 1.17 0.00 0.00 0.00 173.10 175.28 2wrq n LYS 31 N -1.94 0.00 -2.79 2.90 4.81 -1.26 -4.74 118.16 115.15 2wrq n LYS 31 Ca 0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.41 2wrq n LYS 31 Cb 0.54 -1.09 -0.02 0.00 0.02 0.00 0.00 35.03 34.48 2wrq n LYS 31 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2wrq n TYR 32 N 0.81 0.25 0.00 5.64 4.11 -1.26 -4.81 117.16 121.90 2wrq n TYR 32 Ca 0.16 -0.77 0.00 0.00 -0.00 0.00 0.00 57.90 57.29 2wrq n TYR 32 Cb 0.11 -0.07 0.00 0.00 -0.00 0.00 0.00 39.34 39.39 2wrq n TYR 32 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 2wrq n ILE 33 N -0.35 0.00 -4.54 -3.48 2.08 -0.15 -5.01 119.36 107.91 2wrq n ILE 33 Ca -0.05 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.04 2wrq n ILE 33 Cb 0.19 -0.06 -0.14 0.00 -0.75 0.00 0.00 39.64 38.88 2wrq n ILE 33 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2wrq s GLU 34 N 0.02 1.11 0.55 0.38 2.12 -1.25 -5.02 118.70 116.61 2wrq s GLU 34 Ca 0.00 -0.68 -0.18 0.00 0.36 0.00 0.00 54.97 54.47 2wrq s GLU 34 Cb 0.00 -1.12 -0.06 0.00 0.26 0.00 0.00 34.13 33.22 2wrq s GLU 34 CO 0.00 0.29 1.05 0.21 -0.54 0.00 0.00 175.26 176.27 2wrq s LYS 35 N -0.79 3.50 0.00 4.30 2.36 -1.26 -3.06 119.74 124.79 2wrq s LYS 35 Ca 0.04 1.28 0.00 0.00 -2.55 0.00 0.00 55.97 54.74 2wrq s LYS 35 Cb -0.07 -2.05 0.00 0.00 -1.05 0.00 0.00 37.83 34.66 2wrq s LYS 35 CO 0.01 -0.67 0.00 0.44 1.55 0.00 0.00 175.35 176.68 2wrq n ILE 36 N -1.60 0.00 0.00 5.43 -5.35 -0.93 -4.94 119.36 111.96 2wrq n ILE 36 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 2wrq n ILE 36 Cb 0.53 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 2wrq n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wrq n GLY 37 N 1.15 0.90 2.19 3.28 0.00 -1.00 0.89 105.19 112.60 2wrq n GLY 37 Ca 0.00 -1.11 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 2wrq n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wrq n TYR 38 N -0.78 0.53 -3.64 1.61 0.18 -1.08 0.14 117.16 114.11 2wrq n TYR 38 Ca 0.00 -1.49 -0.05 0.00 1.88 0.00 0.00 57.90 58.24 2wrq n TYR 38 Cb 0.00 -0.21 -0.07 0.00 -0.38 0.00 0.00 39.34 38.68 2wrq n TYR 38 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 2wrq s TYR 39 N -2.05 -0.82 -0.30 -3.48 5.04 -0.99 -3.70 117.35 111.07 2wrq s TYR 39 Ca 0.02 1.64 0.03 0.00 -2.44 0.00 0.00 57.07 56.32 2wrq s TYR 39 Cb -0.00 0.49 0.08 0.00 0.35 0.00 0.00 41.96 42.88 2wrq s TYR 39 CO 0.01 -0.40 -0.02 0.34 -1.34 0.00 0.00 175.55 174.14 2wrq s ASP 40 N 1.45 4.51 0.07 4.32 3.68 -0.98 -2.78 116.67 126.94 2wrq s ASP 40 Ca -0.09 -1.74 -0.18 0.00 2.13 0.00 0.00 52.55 52.67 2wrq s ASP 40 Cb -0.04 -1.51 -0.06 0.00 -1.45 0.00 0.00 42.92 39.86 2wrq s ASP 40 CO -0.17 -0.30 1.30 1.55 0.13 0.00 0.00 175.17 177.69 2wrq h PRO 41 N 7.73 -0.23 0.00 4.34 0.13 -1.90 -1.12 132.00 140.96 2wrq h PRO 41 Ca -0.12 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2wrq h PRO 41 Cb 1.03 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2wrq h PRO 41 CO 0.48 -0.15 0.00 0.54 -0.23 0.00 0.00 178.00 178.64 2wrq n ARG 42 N -4.16 0.05 -3.69 0.86 1.74 -1.26 -4.77 116.66 105.43 2wrq n ARG 42 Ca -0.02 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 2wrq n ARG 42 Cb 0.19 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 2wrq n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wrq n LYS 43 N -0.71 -2.98 -2.93 5.56 5.02 -0.42 -4.88 118.16 116.83 2wrq n LYS 43 Ca 0.01 0.36 -0.42 0.00 -2.02 0.00 0.00 58.31 56.24 2wrq n LYS 43 Cb 0.00 -5.05 -0.05 0.00 -0.02 0.00 0.00 35.03 29.92 2wrq n LYS 43 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wrq s THR 44 N -2.99 4.75 0.00 -0.18 -4.23 -1.26 -4.66 115.64 107.06 2wrq s THR 44 Ca 0.52 1.11 0.00 0.00 -1.18 0.00 0.00 61.69 62.14 2wrq s THR 44 Cb -0.29 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.36 2wrq s THR 44 CO 0.64 -0.34 0.00 0.41 -0.54 0.00 0.00 174.62 174.79 2wrq n THR 45 N 5.66 -0.09 0.24 3.99 -1.04 -1.26 -4.78 114.28 117.01 2wrq n THR 45 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2wrq n THR 45 Cb 0.48 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 2wrq n THR 45 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wrq n PRO 46 N 2.87 0.24 -3.19 -2.82 -0.04 -1.26 -2.60 135.00 128.20 2wrq n PRO 46 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2wrq n PRO 46 Cb 0.00 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 2wrq n PRO 46 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wrq n ASP 47 N 0.64 1.28 -0.32 3.54 2.03 -1.26 -4.91 116.55 117.55 2wrq n ASP 47 Ca 0.00 -3.00 0.09 0.00 0.52 0.00 0.00 54.79 52.40 2wrq n ASP 47 Cb 0.09 -0.63 0.17 0.00 -0.72 0.00 0.00 41.12 40.03 2wrq n ASP 47 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 2wrq n TRP 48 N 0.78 0.20 -3.39 -0.67 4.27 -1.07 -4.95 117.44 112.60 2wrq n TRP 48 Ca 0.25 -1.08 0.03 0.00 -3.89 0.00 0.00 57.50 52.81 2wrq n TRP 48 Cb 0.55 -0.20 -0.05 0.00 -1.36 0.00 0.00 31.31 30.24 2wrq n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2wrq s LEU 49 N -2.94 -0.05 0.11 5.67 2.96 -1.26 -2.33 118.68 120.84 2wrq s LEU 49 Ca 0.35 0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 2wrq s LEU 49 Cb 0.31 1.06 -0.02 0.00 0.50 0.00 0.00 46.19 48.04 2wrq s LEU 49 CO 0.02 -0.01 0.15 -0.75 -1.32 0.00 0.00 176.35 174.45 2wrq s LYS 50 N 1.57 0.89 -0.29 1.98 2.20 -1.24 -4.98 119.74 119.86 2wrq s LYS 50 Ca -0.03 -1.14 -0.13 0.00 -0.36 0.00 0.00 55.97 54.31 2wrq s LYS 50 Cb -0.01 0.31 0.11 0.00 -1.51 0.00 0.00 37.83 36.73 2wrq s LYS 50 CO -0.13 -0.28 0.67 0.08 -0.36 0.00 0.00 175.35 175.34 2wrq s VAL 51 N -3.93 -0.57 -1.03 4.02 1.01 -1.26 -2.65 120.40 115.99 2wrq s VAL 51 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 2wrq s VAL 51 Cb 0.05 -1.00 -0.13 0.00 0.00 0.00 0.00 36.38 35.30 2wrq s VAL 51 CO -0.06 0.00 1.93 -0.67 0.00 0.00 0.00 175.10 176.30 2wrq n ASP 52 N 4.96 2.68 -0.01 3.32 4.64 0.26 -4.80 116.55 127.59 2wrq n ASP 52 Ca -0.15 -2.66 -0.00 0.00 -1.38 0.00 0.00 54.79 50.59 2wrq n ASP 52 Cb 0.53 -1.55 -0.00 0.00 -1.04 0.00 0.00 41.12 39.06 2wrq n ASP 52 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 2wrq n VAL 53 N 7.52 -0.02 -0.30 5.18 0.24 -1.26 0.15 118.33 129.84 2wrq n VAL 53 Ca 0.46 1.01 -0.07 0.00 -2.04 0.00 0.00 64.34 63.70 2wrq n VAL 53 Cb 0.45 -1.34 -0.06 0.00 -1.47 0.00 0.00 33.84 31.42 2wrq n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wrq n GLU 54 N -2.76 -0.30 -0.21 7.34 -0.58 -1.26 0.11 120.64 122.98 2wrq n GLU 54 Ca 0.00 1.09 -0.08 0.00 -0.42 0.00 0.00 57.16 57.75 2wrq n GLU 54 Cb 0.01 -1.61 0.03 0.00 -0.57 0.00 0.00 31.44 29.30 2wrq n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrq h ARG 55 N 0.00 0.95 -0.87 3.49 2.47 -1.20 -2.80 114.38 116.43 2wrq h ARG 55 Ca 0.13 -0.22 0.17 0.00 -1.26 0.00 0.00 59.98 58.80 2wrq h ARG 55 Cb 0.31 -0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.44 2wrq h ARG 55 CO -0.68 0.87 0.57 0.00 0.56 0.00 0.00 179.97 181.28 2wrq h ALA 56 N 1.04 2.02 0.02 0.04 0.00 0.89 -2.42 119.26 120.85 2wrq h ALA 56 Ca 0.19 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2wrq h ALA 56 Cb 0.33 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2wrq h ALA 56 CO -0.00 -0.28 -0.65 0.00 0.00 0.00 0.00 179.25 178.33 2wrq h ARG 57 N 0.53 0.40 -0.57 0.00 3.08 -0.58 -3.30 114.38 113.93 2wrq h ARG 57 Ca 0.44 -0.46 0.07 0.00 0.07 0.00 0.00 59.98 60.10 2wrq h ARG 57 Cb 0.92 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 31.01 2wrq h ARG 57 CO -0.18 1.13 -0.53 -0.92 -1.07 0.00 0.00 179.97 178.39 2wrq h TYR 58 N -0.13 -1.64 -0.17 3.04 5.03 -1.24 0.29 116.97 122.15 2wrq h TYR 58 Ca -0.09 0.09 0.05 0.00 2.58 0.00 0.00 58.73 61.36 2wrq h TYR 58 Cb 1.37 0.79 -0.01 0.00 1.55 0.00 0.00 36.73 40.44 2wrq h TYR 58 CO 0.15 -0.45 0.41 -1.49 -1.32 0.00 0.00 178.16 175.46 2wrq h TRP 59 N -0.28 0.00 0.09 -3.82 4.06 -1.63 -0.59 115.95 113.79 2wrq h TRP 59 Ca 0.12 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.73 2wrq h TRP 59 Cb 0.55 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.69 2wrq h TRP 59 CO -0.79 0.00 -1.89 1.28 -3.56 0.00 0.00 178.44 173.49 2wrq n LEU 60 N -3.19 2.49 0.12 -4.49 4.77 0.74 -0.74 117.00 116.70 2wrq n LEU 60 Ca 0.02 0.24 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 2wrq n LEU 60 Cb 0.51 -1.07 0.40 0.00 -2.33 0.00 0.00 43.42 40.92 2wrq n LEU 60 CO 0.18 0.74 0.74 -1.54 -1.33 0.00 0.00 177.39 176.18 2wrq n SER 61 N -3.68 0.38 -0.13 -1.43 3.41 0.30 0.40 113.62 112.87 2wrq n SER 61 Ca -0.33 0.65 0.01 0.00 -0.26 0.00 0.00 58.87 58.95 2wrq n SER 61 Cb 0.97 -0.69 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 2wrq n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2wrq n VAL 62 N -2.01 0.46 -0.30 -3.33 0.24 -0.87 -5.04 118.33 107.48 2wrq n VAL 62 Ca -0.01 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2wrq n VAL 62 Cb 0.07 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 2wrq n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrq n GLY 63 N -0.04 0.56 3.18 7.63 0.00 0.16 -5.06 105.19 111.63 2wrq n GLY 63 Ca 0.02 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2wrq n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrq s ALA 64 N -1.78 2.16 -0.36 4.61 0.00 0.09 -4.63 121.76 121.85 2wrq s ALA 64 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 2wrq s ALA 64 Cb 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 2wrq s ALA 64 CO 0.00 0.12 0.34 -0.65 0.00 0.00 0.00 175.76 175.57 2wrq s GLN 65 N 0.60 3.40 1.01 0.00 -1.52 -0.40 -4.76 119.66 117.99 2wrq s GLN 65 Ca -0.13 -0.59 -0.16 0.00 -1.95 0.00 0.00 55.36 52.53 2wrq s GLN 65 Cb -0.17 -3.85 0.21 0.00 -0.22 0.00 0.00 33.01 28.98 2wrq s GLN 65 CO 0.03 -0.59 1.23 -2.14 -0.25 0.00 0.00 175.29 173.57 2wrq s PRO 66 N 1.94 0.31 0.00 2.91 0.02 -1.26 0.54 135.00 139.45 2wrq s PRO 66 Ca 0.10 -0.17 0.00 0.00 0.02 0.00 0.00 61.00 60.94 2wrq s PRO 66 Cb -0.17 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2wrq s PRO 66 CO 0.12 -2.67 0.00 2.41 -0.33 0.00 0.00 177.00 176.52 2wrq n THR 67 N -4.00 0.00 0.03 0.99 -1.04 -1.24 -4.69 114.28 104.34 2wrq n THR 67 Ca 0.13 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.99 2wrq n THR 67 Cb 0.60 -1.89 -0.14 0.00 -1.82 0.00 0.00 70.33 67.07 2wrq n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2wrq h ASP 68 N 0.00 0.28 0.37 8.00 3.32 -1.97 -2.45 116.42 123.97 2wrq h ASP 68 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2wrq h ASP 68 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2wrq h ASP 68 CO 0.00 1.39 -0.76 0.35 -1.72 0.00 0.00 179.24 178.50 2wrq n THR 69 N -3.36 0.05 0.08 0.35 -2.24 -1.26 -3.27 114.28 104.63 2wrq n THR 69 Ca -0.18 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 2wrq n THR 69 Cb 1.04 0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 69.55 2wrq n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrq h ALA 70 N 2.87 0.22 -0.28 6.98 0.00 -1.87 -2.17 119.26 125.01 2wrq h ALA 70 Ca 0.00 -1.03 0.06 0.00 0.00 0.00 0.00 54.91 53.94 2wrq h ALA 70 Cb 0.57 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2wrq h ALA 70 CO 0.00 1.09 -0.09 -0.09 0.00 0.00 0.00 179.25 180.16 2wrq h ARG 71 N 0.07 -0.03 0.16 0.00 9.65 -1.47 -2.78 114.38 119.98 2wrq h ARG 71 Ca -0.20 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 2wrq h ARG 71 Cb 2.00 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 30.58 2wrq h ARG 71 CO 0.18 -0.02 -0.10 -0.09 2.80 0.00 0.00 179.97 182.74 2wrq h ARG 72 N -0.03 -0.24 -0.03 0.20 2.43 -1.53 -1.34 114.38 113.84 2wrq h ARG 72 Ca 0.14 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2wrq h ARG 72 Cb 0.24 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2wrq h ARG 72 CO -0.30 -0.16 0.08 -0.07 -1.51 0.00 0.00 179.97 178.01 2wrq h LEU 73 N -0.25 0.00 0.15 3.80 3.38 -1.29 0.57 115.31 121.67 2wrq h LEU 73 Ca -0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 2wrq h LEU 73 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 2wrq h LEU 73 CO 0.01 0.00 -1.44 -0.07 0.09 0.00 0.00 178.44 177.04 2wrq h LEU 74 N 0.00 0.51 -1.26 1.67 3.38 -1.15 -2.17 115.31 116.29 2wrq h LEU 74 Ca 0.02 -0.61 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 2wrq h LEU 74 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2wrq h LEU 74 CO -0.00 1.49 -0.14 -0.09 0.09 0.00 0.00 178.44 179.79 2wrq h ARG 75 N 0.09 0.33 0.00 1.13 2.43 0.11 0.44 114.38 118.91 2wrq h ARG 75 Ca -0.21 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.77 2wrq h ARG 75 Cb 2.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.53 2wrq h ARG 75 CO 0.20 0.48 -0.47 0.37 -1.51 0.00 0.00 179.97 179.04 2wrq h GLN 76 N 0.31 0.00 -0.44 0.20 4.15 -0.48 -2.83 115.11 116.02 2wrq h GLN 76 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2wrq h GLN 76 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2wrq h GLN 76 CO 0.03 0.47 0.00 0.00 -1.93 0.00 0.00 178.83 177.39 2wrq n ALA 77 N -2.25 2.55 -3.02 3.38 0.00 0.12 -4.98 120.51 116.31 2wrq n ALA 77 Ca 0.01 -0.72 -0.27 0.00 0.00 0.00 0.00 53.44 52.46 2wrq n ALA 77 Cb 0.66 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 19.15 2wrq n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrq n GLY 78 N 1.00 0.14 0.05 0.00 0.00 0.58 -4.92 105.19 102.03 2wrq n GLY 78 Ca 0.13 0.80 -0.05 0.00 0.00 0.00 0.00 46.02 46.89 2wrq n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrq n VAL 79 N 0.08 0.64 -0.01 1.61 0.31 -1.18 -4.64 118.33 115.14 2wrq n VAL 79 Ca -0.06 -0.36 -0.08 0.00 -0.01 0.00 0.00 64.34 63.83 2wrq n VAL 79 Cb 0.54 -0.79 -0.14 0.00 -0.91 0.00 0.00 33.84 32.55 2wrq n VAL 79 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wrq h PHE 80 N 0.00 0.00 -1.55 3.52 -1.00 -1.91 -3.47 116.94 112.53 2wrq h PHE 80 Ca -0.25 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.85 2wrq h PHE 80 Cb 1.53 0.00 0.08 0.00 3.61 0.00 0.00 35.95 41.17 2wrq h PHE 80 CO 0.00 0.99 0.03 -2.13 -1.61 0.00 0.00 178.31 175.59 2wrq n ARG 81 N -3.07 0.65 0.00 1.51 0.63 -1.26 -4.84 116.66 110.27 2wrq n ARG 81 Ca -0.15 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2wrq n ARG 81 Cb 1.03 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 32.34 2wrq n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrq n GLN 82 N 1.46 0.00 0.00 -0.14 0.00 -1.26 -5.09 117.38 112.36 2wrq n GLN 82 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.16 2wrq n GLN 82 Cb 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 30.24 30.09 2wrq n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2wrq n GLU 83 N 0.00 0.00 0.00 2.61 -0.58 -1.26 -5.28 120.64 116.12 2wrq n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wrq n GLU 83 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.06 2wrq n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65