#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wp0 n ASN 6 N 0.00 1.97 -0.18 0.53 5.15 -1.26 -3.68 115.26 117.79 2wp0 n ASN 6 Ca 0.00 0.27 -0.01 0.00 -0.60 0.00 0.00 54.58 54.24 2wp0 n ASN 6 Cb 0.00 -0.84 0.09 0.00 -0.53 0.00 0.00 39.78 38.50 2wp0 n ASN 6 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2wp0 h ILE 7 N -0.57 0.79 0.00 -1.44 2.04 -1.99 -2.35 117.51 113.99 2wp0 h ILE 7 Ca -0.47 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2wp0 h ILE 7 Cb 1.65 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2wp0 h ILE 7 CO -0.15 0.07 0.00 1.21 0.00 0.00 0.00 178.15 179.27 2wp0 n GLU 8 N -5.01 0.00 -0.09 2.37 2.13 -1.26 -0.71 120.64 118.08 2wp0 n GLU 8 Ca 0.07 0.45 0.05 0.00 0.66 0.00 0.00 57.16 58.39 2wp0 n GLU 8 Cb 0.24 -1.09 0.10 0.00 0.27 0.00 0.00 31.44 30.95 2wp0 n GLU 8 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2wp0 n LYS 9 N -1.21 -0.02 -0.06 5.31 3.00 -1.17 -1.83 118.16 122.19 2wp0 n LYS 9 Ca 0.00 0.39 -0.11 0.00 -0.00 0.00 0.00 58.31 58.58 2wp0 n LYS 9 Cb 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 35.03 34.25 2wp0 n LYS 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wp0 n GLU 10 N -4.00 0.67 -0.30 1.64 -0.58 0.09 -3.35 120.64 114.80 2wp0 n GLU 10 Ca 0.07 0.16 0.10 0.00 -0.42 0.00 0.00 57.16 57.07 2wp0 n GLU 10 Cb 0.24 -1.65 0.22 0.00 -0.57 0.00 0.00 31.44 29.68 2wp0 n GLU 10 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2wp0 h ILE 11 N 0.01 0.18 -0.25 -3.67 2.04 -0.14 -1.20 117.51 114.49 2wp0 h ILE 11 Ca -0.43 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 2wp0 h ILE 11 Cb 2.10 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2wp0 h ILE 11 CO 0.05 0.01 0.14 -0.07 0.00 0.00 0.00 178.15 178.28 2wp0 h LEU 12 N 0.07 0.29 -0.62 1.44 4.07 -1.53 -2.27 115.31 116.75 2wp0 h LEU 12 Ca 0.50 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 58.30 2wp0 h LEU 12 Cb 0.96 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 2wp0 h LEU 12 CO -0.80 0.23 -0.63 0.00 -1.08 0.00 0.00 178.44 176.16 2wp0 h ALA 13 N 1.83 0.82 0.00 1.53 0.00 -1.25 0.15 119.26 122.34 2wp0 h ALA 13 Ca 0.09 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2wp0 h ALA 13 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wp0 h ALA 13 CO -0.02 0.75 -0.34 -0.07 0.00 0.00 0.00 179.25 179.57 2wp0 h LEU 14 N 0.17 0.00 0.04 0.00 3.38 -1.09 0.14 115.31 117.94 2wp0 h LEU 14 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2wp0 h LEU 14 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2wp0 h LEU 14 CO 0.10 0.34 -0.35 0.58 0.09 0.00 0.00 178.44 179.20 2wp0 h VAL 15 N 0.00 1.63 -0.28 1.22 2.07 -1.15 -2.89 116.25 116.85 2wp0 h VAL 15 Ca -0.00 -2.38 0.06 0.00 0.82 0.00 0.00 66.70 65.19 2wp0 h VAL 15 Cb 0.61 3.23 -0.06 0.00 -1.52 0.00 0.00 31.29 33.56 2wp0 h VAL 15 CO 0.04 0.62 -0.10 0.50 0.02 0.00 0.00 177.57 178.65 2wp0 h LYS 16 N -0.83 -0.04 0.00 1.57 3.64 -0.61 -0.96 116.57 119.34 2wp0 h LYS 16 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2wp0 h LYS 16 Cb 1.20 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2wp0 h LYS 16 CO 0.02 -0.03 0.00 0.94 -2.27 0.00 0.00 179.45 178.11 2wp0 n GLN 17 N -5.27 0.40 -3.09 1.90 7.27 0.49 -4.80 117.38 114.27 2wp0 n GLN 17 Ca -0.00 0.04 -0.39 0.00 0.07 0.00 0.00 57.00 56.71 2wp0 n GLN 17 Cb 0.19 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 31.29 2wp0 n GLN 17 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2wp0 s ASN 18 N -2.13 7.05 0.00 1.69 3.84 -0.37 -5.02 114.94 120.00 2wp0 s ASN 18 Ca 0.20 1.25 0.00 0.00 0.21 0.00 0.00 52.86 54.52 2wp0 s ASN 18 Cb 0.10 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 2wp0 s ASN 18 CO 0.18 0.01 0.82 -2.65 -2.79 0.00 0.00 177.10 172.68 2wp0 n PRO 19 N 3.05 0.00 0.00 0.43 -0.02 -1.26 -2.51 135.00 134.69 2wp0 n PRO 19 Ca -0.04 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2wp0 n PRO 19 Cb 0.51 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2wp0 n PRO 19 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wp0 n LYS 20 N -2.46 0.46 -4.01 -0.52 3.00 -1.26 -4.51 118.16 108.86 2wp0 n LYS 20 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 2wp0 n LYS 20 Cb 0.00 -1.10 -0.16 0.00 0.00 0.00 0.00 35.03 33.76 2wp0 n LYS 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2wp0 s VAL 21 N -1.55 1.59 0.77 3.15 0.11 -1.04 -5.14 120.40 118.29 2wp0 s VAL 21 Ca 0.00 -0.80 -0.12 0.00 -2.93 0.00 0.00 61.98 58.14 2wp0 s VAL 21 Cb 0.00 -1.58 0.05 0.00 -1.53 0.00 0.00 36.38 33.33 2wp0 s VAL 21 CO 0.00 0.33 1.12 -0.94 -3.33 0.00 0.00 175.10 172.28 2wp0 s SER 22 N 1.45 4.82 0.11 3.54 1.04 -1.26 -4.80 113.70 118.59 2wp0 s SER 22 Ca 0.02 1.05 -0.18 0.00 0.48 0.00 0.00 55.95 57.33 2wp0 s SER 22 Cb -0.14 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.19 2wp0 s SER 22 CO -0.10 -1.74 1.62 0.25 0.98 0.00 0.00 173.24 174.26 2wp0 h LEU 23 N -0.93 0.42 -1.29 2.42 5.85 -1.97 -0.72 115.31 119.09 2wp0 h LEU 23 Ca -0.46 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.05 2wp0 h LEU 23 Cb 1.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2wp0 h LEU 23 CO 0.63 0.51 0.34 0.16 -0.34 0.00 0.00 178.44 179.75 2wp0 h ILE 24 N 0.31 1.18 -0.59 4.05 -0.00 -1.98 -0.65 117.51 119.82 2wp0 h ILE 24 Ca 0.09 -0.43 -0.08 0.00 -0.00 0.00 0.00 64.86 64.44 2wp0 h ILE 24 Cb 0.24 0.35 -0.02 0.00 -0.00 0.00 0.00 36.82 37.39 2wp0 h ILE 24 CO -0.00 0.20 0.06 -0.33 -0.00 0.00 0.00 178.15 178.07 2wp0 h GLU 25 N 0.84 1.00 -0.60 0.16 5.08 -1.76 0.34 114.58 119.64 2wp0 h GLU 25 Ca 0.22 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2wp0 h GLU 25 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2wp0 h GLU 25 CO -0.04 0.96 0.12 -0.92 -1.00 0.00 0.00 179.01 178.14 2wp0 h TYR 26 N 0.90 1.02 0.39 4.33 5.03 -0.79 -1.40 116.97 126.45 2wp0 h TYR 26 Ca 0.17 -0.13 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 2wp0 h TYR 26 Cb 0.47 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.47 2wp0 h TYR 26 CO 0.03 0.88 -0.19 1.49 -1.32 0.00 0.00 178.16 179.05 2wp0 h GLU 27 N 0.88 -0.50 -0.16 1.82 4.57 -0.72 0.22 114.58 120.68 2wp0 h GLU 27 Ca 0.18 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.36 2wp0 h GLU 27 Cb 0.38 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2wp0 h GLU 27 CO 0.01 -0.23 -0.06 -0.91 -1.18 0.00 0.00 179.01 176.64 2wp0 h ASN 28 N -1.04 0.21 0.00 1.04 -0.26 -0.41 -3.38 115.58 111.74 2wp0 h ASN 28 Ca -0.05 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2wp0 h ASN 28 Cb 0.51 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 2wp0 h ASN 28 CO 0.09 0.31 0.00 -1.22 -1.06 0.00 0.00 177.43 175.55 2wp0 n TYR 29 N -4.34 0.00 -0.28 1.19 4.01 -0.54 -4.84 117.16 112.35 2wp0 n TYR 29 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 2wp0 n TYR 29 Cb 0.21 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.45 2wp0 n TYR 29 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 2wp0 h PHE 30 N 0.00 1.06 -0.53 -0.72 0.04 -1.14 -1.66 116.94 114.00 2wp0 h PHE 30 Ca 0.00 0.03 0.15 0.00 2.80 0.00 0.00 57.97 60.95 2wp0 h PHE 30 Cb 0.00 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.77 2wp0 h PHE 30 CO 0.00 0.64 0.38 0.66 -0.60 0.00 0.00 178.31 179.39 2wp0 h SER 31 N 1.12 0.00 0.54 2.17 4.64 -0.79 -1.18 113.55 120.05 2wp0 h SER 31 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2wp0 h SER 31 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2wp0 h SER 31 CO -0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.84 2wp0 n GLN 32 N -4.37 0.46 -2.78 4.77 6.02 -0.62 -4.85 117.38 116.01 2wp0 n GLN 32 Ca 0.10 -0.05 -0.37 0.00 -0.01 0.00 0.00 57.00 56.67 2wp0 n GLN 32 Cb 0.60 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.30 2wp0 n GLN 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2wp0 s LEU 33 N -2.57 4.34 -0.04 1.08 2.96 -0.45 -4.28 118.68 119.72 2wp0 s LEU 33 Ca 0.28 1.83 -0.10 0.00 -0.22 0.00 0.00 54.13 55.92 2wp0 s LEU 33 Cb 0.20 -4.02 0.02 0.00 0.50 0.00 0.00 46.19 42.89 2wp0 s LEU 33 CO 0.47 -0.07 0.24 -1.59 -1.32 0.00 0.00 176.35 174.08 2wp0 s LYS 34 N -2.06 0.47 0.48 1.98 -2.85 0.64 -4.92 119.74 113.48 2wp0 s LYS 34 Ca 0.50 -0.04 -0.19 0.00 -1.00 0.00 0.00 55.97 55.24 2wp0 s LYS 34 Cb -0.18 0.21 -0.09 0.00 -2.06 0.00 0.00 37.83 35.71 2wp0 s LYS 34 CO 0.24 -0.11 0.99 -0.47 0.10 0.00 0.00 175.35 176.10 2wp0 s TYR 35 N -0.77 3.26 -0.56 1.78 5.04 -1.26 0.18 117.35 125.02 2wp0 s TYR 35 Ca -0.09 1.55 0.04 0.00 -2.44 0.00 0.00 57.07 56.14 2wp0 s TYR 35 Cb -0.05 -2.89 0.17 0.00 0.35 0.00 0.00 41.96 39.54 2wp0 s TYR 35 CO 0.02 -0.42 0.42 1.21 -1.34 0.00 0.00 175.55 175.44 2wp0 s ASN 36 N -2.46 3.12 0.46 4.32 3.04 0.41 -4.79 114.94 119.04 2wp0 s ASN 36 Ca 0.62 -3.45 0.24 0.00 0.04 0.00 0.00 52.86 50.31 2wp0 s ASN 36 Cb -0.11 -1.03 1.12 0.00 -1.54 0.00 0.00 41.25 39.68 2wp0 s ASN 36 CO 0.22 -0.13 1.93 -0.65 -3.04 0.00 0.00 177.10 175.43 2wp0 h PRO 37 N 5.53 0.00 -6.69 0.43 0.11 -1.92 0.35 132.00 129.81 2wp0 h PRO 37 Ca 0.21 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.81 2wp0 h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 2wp0 h PRO 37 CO 0.54 0.21 0.42 -0.80 -0.21 0.00 0.00 178.00 178.16 2wp0 s ASN 38 N -6.27 7.41 0.00 -2.05 0.02 -1.26 -3.57 114.94 109.23 2wp0 s ASN 38 Ca -0.01 2.02 0.00 0.00 -1.02 0.00 0.00 52.86 53.85 2wp0 s ASN 38 Cb 0.12 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.78 2wp0 s ASN 38 CO 0.63 -0.08 0.00 0.00 0.02 0.00 0.00 177.10 177.67 2wp0 n ALA 39 N 2.03 0.00 -0.41 0.60 0.00 -1.26 -4.93 120.51 116.54 2wp0 n ALA 39 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 2wp0 n ALA 39 Cb 0.47 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.19 2wp0 n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wp0 s SER 40 N 0.00 -0.11 0.00 0.00 0.01 0.11 -4.82 113.70 108.90 2wp0 s SER 40 Ca 0.00 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2wp0 s SER 40 Cb 0.00 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.32 2wp0 s SER 40 CO 0.00 -4.83 0.00 0.29 0.41 0.00 0.00 173.24 169.11 2wp0 n LYS 41 N -5.32 0.00 0.00 12.44 5.02 -0.96 -4.93 118.16 124.41 2wp0 n LYS 41 Ca 0.06 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2wp0 n LYS 41 Cb 0.56 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2wp0 n LYS 41 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2wp0 n SER 42 N 0.00 0.00 -0.10 4.39 7.64 -1.26 -4.48 113.62 119.81 2wp0 n SER 42 Ca 0.00 -0.70 0.13 0.00 1.01 0.00 0.00 58.87 59.31 2wp0 n SER 42 Cb 0.00 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.55 2wp0 n SER 42 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2wp0 n ASP 43 N 0.00 0.65 -4.09 6.43 5.68 -1.26 -2.93 116.55 121.04 2wp0 n ASP 43 Ca 0.00 -0.46 -0.13 0.00 -0.50 0.00 0.00 54.79 53.69 2wp0 n ASP 43 Cb 0.17 0.13 -0.11 0.00 -1.14 0.00 0.00 41.12 40.18 2wp0 n ASP 43 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2wp0 s ILE 44 N -2.77 0.62 -0.10 2.12 1.01 -1.26 -0.30 121.20 120.52 2wp0 s ILE 44 Ca 0.18 -1.20 0.02 0.00 0.00 0.00 0.00 60.65 59.64 2wp0 s ILE 44 Cb 0.18 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 2wp0 s ILE 44 CO 0.60 -0.42 -0.16 0.00 0.00 0.00 0.00 174.94 174.97 2wp0 s ALA 45 N -1.63 2.55 -0.14 9.38 0.00 0.10 -2.27 121.76 129.75 2wp0 s ALA 45 Ca -0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 2wp0 s ALA 45 Cb -0.08 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2wp0 s ALA 45 CO 0.00 0.36 -0.01 -0.06 0.00 0.00 0.00 175.76 176.04 2wp0 s PHE 46 N -0.01 3.09 0.16 0.00 0.08 -1.26 -0.65 117.98 119.39 2wp0 s PHE 46 Ca -0.04 -0.11 0.09 0.00 0.12 0.00 0.00 56.93 56.98 2wp0 s PHE 46 Cb -0.14 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 2wp0 s PHE 46 CO 0.04 0.13 -0.19 -0.06 -0.10 0.00 0.00 175.22 175.03 2wp0 s PHE 47 N 0.03 1.88 -0.07 0.36 0.40 -0.50 -0.45 117.98 119.63 2wp0 s PHE 47 Ca 0.02 -0.45 -0.03 0.00 -0.60 0.00 0.00 56.93 55.87 2wp0 s PHE 47 Cb -0.13 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 2wp0 s PHE 47 CO 0.02 0.33 0.07 0.71 0.70 0.00 0.00 175.22 177.05 2wp0 s TYR 48 N -1.86 3.34 0.07 0.36 2.02 0.47 -0.16 117.35 121.60 2wp0 s TYR 48 Ca 0.15 0.30 0.09 0.00 -0.37 0.00 0.00 57.07 57.25 2wp0 s TYR 48 Cb -0.07 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 2wp0 s TYR 48 CO 0.07 0.58 -0.24 0.00 -1.57 0.00 0.00 175.55 174.38 2wp0 s ALA 49 N -1.02 2.38 0.27 3.71 0.00 0.41 -0.26 121.76 127.26 2wp0 s ALA 49 Ca 0.17 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 2wp0 s ALA 49 Cb -0.12 -0.52 0.46 0.00 0.00 0.00 0.00 23.12 22.94 2wp0 s ALA 49 CO 0.06 0.55 1.87 -1.35 0.00 0.00 0.00 175.76 176.88 2wp0 h PRO 50 N 4.45 1.08 -4.87 0.00 0.11 -1.84 -3.14 132.00 127.79 2wp0 h PRO 50 Ca -0.48 -0.07 -0.44 0.00 0.11 0.00 0.00 66.00 65.12 2wp0 h PRO 50 Cb 1.15 -0.24 -0.13 0.00 0.11 0.00 0.00 31.00 31.88 2wp0 h PRO 50 CO 0.43 0.72 -0.51 0.54 -0.21 0.00 0.00 178.00 178.97 2wp0 s ASN 51 N -5.83 1.51 0.03 -2.05 2.20 -1.26 -4.28 114.94 105.27 2wp0 s ASN 51 Ca -0.12 -1.71 -0.22 0.00 -0.94 0.00 0.00 52.86 49.87 2wp0 s ASN 51 Cb 0.21 0.53 -0.15 0.00 -2.00 0.00 0.00 41.25 39.84 2wp0 s ASN 51 CO 0.81 -1.03 1.38 -0.61 -2.94 0.00 0.00 177.10 174.71 2wp0 h GLN 52 N 2.19 0.25 -0.90 3.55 5.75 -1.96 -1.24 115.11 122.75 2wp0 h GLN 52 Ca -0.27 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.17 2wp0 h GLN 52 Cb 1.24 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.72 2wp0 h GLN 52 CO 0.39 0.59 0.58 0.28 -2.65 0.00 0.00 178.83 178.03 2wp0 h VAL 53 N -0.11 1.11 -0.13 2.39 2.07 -1.98 0.16 116.25 119.76 2wp0 h VAL 53 Ca 0.03 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2wp0 h VAL 53 Cb 0.52 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2wp0 h VAL 53 CO 0.02 0.20 0.03 -0.07 0.02 0.00 0.00 177.57 177.77 2wp0 h LEU 54 N 1.09 0.19 -1.22 2.57 3.38 -1.96 0.34 115.31 119.71 2wp0 h LEU 54 Ca 0.37 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 58.24 2wp0 h LEU 54 Cb 0.08 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 2wp0 h LEU 54 CO -0.14 0.37 0.58 0.00 0.09 0.00 0.00 178.44 179.34 2wp0 h THR 56 N 0.78 1.47 -0.07 0.00 2.02 -0.35 -2.78 112.91 113.98 2wp0 h THR 56 Ca 0.45 -2.50 -0.02 0.00 0.77 0.00 0.00 66.41 65.11 2wp0 h THR 56 Cb 0.61 3.15 -0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2wp0 h THR 56 CO -0.21 0.70 -0.02 0.74 0.37 0.00 0.00 175.52 177.09 2wp0 h THR 57 N -0.44 1.30 0.20 3.16 2.02 -0.17 0.35 112.91 119.34 2wp0 h THR 57 Ca -0.15 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.07 2wp0 h THR 57 Cb 1.59 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 69.76 2wp0 h THR 57 CO 0.12 0.27 -0.48 0.40 0.37 0.00 0.00 175.52 176.20 2wp0 h ILE 58 N -0.20 0.07 -0.74 3.11 2.04 -1.34 0.20 117.51 120.66 2wp0 h ILE 58 Ca 0.02 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.02 2wp0 h ILE 58 Cb 0.44 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.50 2wp0 h ILE 58 CO 0.01 0.00 0.27 0.74 0.00 0.00 0.00 178.15 179.17 2wp0 h THR 59 N -0.77 0.64 -0.39 -0.27 2.02 -1.33 0.31 112.91 113.12 2wp0 h THR 59 Ca -0.01 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2wp0 h THR 59 Cb 0.75 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2wp0 h THR 59 CO -0.22 0.07 -0.07 0.00 0.37 0.00 0.00 175.52 175.67 2wp0 h ALA 60 N 1.55 0.53 0.00 6.16 0.00 -0.49 -2.73 119.26 124.29 2wp0 h ALA 60 Ca 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wp0 h ALA 60 Cb 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wp0 h ALA 60 CO -0.41 0.38 -1.03 0.36 0.00 0.00 0.00 179.25 178.54 2wp0 n LYS 61 N -4.38 0.07 0.00 0.00 2.85 0.66 -4.59 118.16 112.77 2wp0 n LYS 61 Ca -0.01 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2wp0 n LYS 61 Cb 0.34 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 2wp0 n LYS 61 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2wp0 n TYR 62 N -1.58 0.00 -0.36 5.58 4.01 1.00 -4.82 117.16 120.99 2wp0 n TYR 62 Ca 0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.84 2wp0 n TYR 62 Cb 0.35 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.62 2wp0 n TYR 62 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2wp0 h GLY 63 N 0.00 1.62 1.02 2.72 0.00 -1.38 0.14 103.07 107.19 2wp0 h GLY 63 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 46.75 2wp0 h GLY 63 CO 0.00 0.15 -0.56 0.00 0.00 0.00 0.00 176.54 176.13 2wp0 h ALA 64 N 1.54 0.30 -0.93 3.60 0.00 -1.88 -0.55 119.26 121.34 2wp0 h ALA 64 Ca 0.49 -0.52 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2wp0 h ALA 64 Cb 0.50 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2wp0 h ALA 64 CO -0.27 0.52 0.54 -0.07 0.00 0.00 0.00 179.25 179.97 2wp0 h LEU 65 N 0.37 0.72 -0.03 0.00 3.38 -1.67 0.13 115.31 118.20 2wp0 h LEU 65 Ca -0.02 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2wp0 h LEU 65 Cb 1.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2wp0 h LEU 65 CO 0.12 0.33 -0.16 -0.07 0.09 0.00 0.00 178.44 178.74 2wp0 h LEU 66 N 0.78 0.20 -0.22 1.67 3.38 -0.49 -0.93 115.31 119.69 2wp0 h LEU 66 Ca 0.50 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2wp0 h LEU 66 Cb 0.64 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2wp0 h LEU 66 CO -0.33 0.84 -0.49 0.11 0.09 0.00 0.00 178.44 178.66 2wp0 h LYS 67 N -0.43 -0.47 0.00 1.13 6.56 -0.94 -0.42 116.57 122.00 2wp0 h LYS 67 Ca -0.01 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2wp0 h LYS 67 Cb 0.83 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.60 2wp0 h LYS 67 CO 0.03 -0.31 0.00 -1.91 -2.06 0.00 0.00 179.45 175.20 2wp0 n GLU 68 N -5.43 0.00 -0.12 3.15 2.13 0.42 -0.92 120.64 119.87 2wp0 n GLU 68 Ca -0.04 0.27 0.04 0.00 0.66 0.00 0.00 57.16 58.09 2wp0 n GLU 68 Cb 0.37 -0.84 0.09 0.00 0.27 0.00 0.00 31.44 31.32 2wp0 n GLU 68 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2wp0 n ILE 69 N -0.61 -0.14 0.04 6.31 5.41 -0.36 -0.54 119.36 129.47 2wp0 n ILE 69 Ca 0.00 0.76 -0.13 0.00 1.00 0.00 0.00 62.75 64.38 2wp0 n ILE 69 Cb 0.00 -1.09 -0.09 0.00 -0.71 0.00 0.00 39.64 37.75 2wp0 n ILE 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wp0 h LEU 70 N 0.00 -0.09 -1.45 1.39 3.38 -0.44 -3.13 115.31 114.97 2wp0 h LEU 70 Ca 0.19 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2wp0 h LEU 70 Cb 0.38 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2wp0 h LEU 70 CO -0.33 0.28 0.43 0.28 0.09 0.00 0.00 178.44 179.20 2wp0 h SER 71 N -0.49 0.60 -0.01 -0.43 0.02 0.11 -1.88 113.55 111.46 2wp0 h SER 71 Ca -0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2wp0 h SER 71 Cb 0.41 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2wp0 h SER 71 CO 0.02 0.40 0.00 1.67 -1.14 0.00 0.00 176.83 177.77 2wp0 n GLN 72 N -4.47 1.13 -4.15 3.45 7.27 -0.75 -4.77 117.38 115.08 2wp0 n GLN 72 Ca 0.09 -0.19 -0.13 0.00 0.07 0.00 0.00 57.00 56.84 2wp0 n GLN 72 Cb 0.21 -1.42 -0.11 0.00 2.41 0.00 0.00 30.24 31.33 2wp0 n GLN 72 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2wp0 s ASN 73 N -1.82 1.25 0.82 1.69 0.01 -0.71 -5.06 114.94 111.12 2wp0 s ASN 73 Ca 0.39 -0.79 -0.11 0.00 -0.71 0.00 0.00 52.86 51.64 2wp0 s ASN 73 Cb 0.18 0.03 0.08 0.00 0.41 0.00 0.00 41.25 41.96 2wp0 s ASN 73 CO 0.31 -0.29 1.09 -1.59 -1.51 0.00 0.00 177.10 175.11 2wp0 s LYS 74 N -2.72 1.88 0.38 -0.60 0.00 -1.26 -4.91 119.74 112.50 2wp0 s LYS 74 Ca 0.03 0.83 0.00 0.00 0.00 0.00 0.00 55.97 56.83 2wp0 s LYS 74 Cb -0.03 -1.88 0.00 0.00 0.00 0.00 0.00 37.83 35.92 2wp0 s LYS 74 CO -0.01 -1.81 0.00 0.28 0.00 0.00 0.00 175.35 173.81 2wp0 n VAL 75 N -3.59 0.00 0.00 1.79 0.31 -1.26 -4.99 118.33 110.59 2wp0 n VAL 75 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2wp0 n VAL 75 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2wp0 n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wp0 n GLY 76 N -1.47 0.73 2.72 2.92 0.00 -1.26 -5.01 105.19 103.82 2wp0 n GLY 76 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2wp0 n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wp0 n MET 77 N 0.00 0.83 -1.17 1.61 2.00 -1.26 -4.86 117.12 114.27 2wp0 n MET 77 Ca 0.00 -1.68 -0.13 0.00 0.00 0.00 0.00 57.70 55.89 2wp0 n MET 77 Cb 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 33.22 32.36 2wp0 n MET 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 2wp0 n HIS 78 N 0.60 -3.67 0.00 2.03 -0.00 -1.15 -4.60 115.22 108.42 2wp0 n HIS 78 Ca 0.05 -0.68 0.00 0.00 0.46 0.00 0.00 57.72 57.55 2wp0 n HIS 78 Cb 0.70 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 2wp0 n HIS 78 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2wp0 n LEU 79 N 0.00 0.00 -2.03 0.27 7.99 -1.26 -4.44 117.00 117.53 2wp0 n LEU 79 Ca 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 56.03 2wp0 n LEU 79 Cb 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 2wp0 n LEU 79 CO 0.20 0.00 -0.04 0.00 -1.51 0.00 0.00 177.39 176.04 2wp0 n ALA 80 N 2.57 -1.25 0.52 -1.18 0.00 -1.26 -4.54 120.51 115.37 2wp0 n ALA 80 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.46 2wp0 n ALA 80 Cb 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 19.45 19.28 2wp0 n ALA 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wp0 n HIS 81 N -0.42 0.00 -2.08 0.00 8.25 -1.26 -2.71 115.22 117.00 2wp0 n HIS 81 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.39 2wp0 n HIS 81 Cb 0.11 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2wp0 n HIS 81 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2wp0 n SER 82 N -0.64 -0.41 -3.12 0.41 2.88 -1.26 -4.90 113.62 106.57 2wp0 n SER 82 Ca 0.02 -1.78 -0.41 0.00 -1.33 0.00 0.00 58.87 55.37 2wp0 n SER 82 Cb 0.01 0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.52 2wp0 n SER 82 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2wp0 n VAL 83 N 0.08 0.00 -3.25 2.46 3.14 -1.10 -4.92 118.33 114.74 2wp0 n VAL 83 Ca -0.15 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.90 2wp0 n VAL 83 Cb 0.73 -0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.44 2wp0 n VAL 83 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2wp0 s ASP 84 N 0.03 6.75 -0.07 6.55 2.15 0.59 -4.64 116.67 128.03 2wp0 s ASP 84 Ca 0.63 1.15 0.03 0.00 0.43 0.00 0.00 52.55 54.80 2wp0 s ASP 84 Cb -0.88 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 39.39 2wp0 s ASP 84 CO 0.40 -0.12 -0.15 0.68 -0.17 0.00 0.00 175.17 175.81 2wp0 s VAL 85 N -1.85 3.00 -0.16 1.11 -7.23 -1.26 0.03 120.40 114.04 2wp0 s VAL 85 Ca 0.50 -0.73 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 2wp0 s VAL 85 Cb -0.11 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.68 2wp0 s VAL 85 CO 0.19 0.57 0.01 -0.60 -0.31 0.00 0.00 175.10 174.96 2wp0 s ARG 86 N -0.42 0.79 0.02 4.82 6.06 0.18 -4.94 118.95 125.46 2wp0 s ARG 86 Ca 0.05 -0.32 0.00 0.00 -2.50 0.00 0.00 55.73 52.97 2wp0 s ARG 86 Cb -0.12 -1.82 -0.04 0.00 0.06 0.00 0.00 34.95 33.03 2wp0 s ARG 86 CO 0.02 -0.52 0.09 -1.50 -2.50 0.00 0.00 175.30 170.89 2wp0 s ILE 87 N 1.84 4.72 0.30 4.11 2.07 -1.26 -1.41 121.20 131.57 2wp0 s ILE 87 Ca 0.01 -0.49 0.04 0.00 -1.41 0.00 0.00 60.65 58.79 2wp0 s ILE 87 Cb -0.16 -3.19 -0.03 0.00 0.13 0.00 0.00 42.46 39.21 2wp0 s ILE 87 CO -0.07 0.28 0.20 -1.61 -1.91 0.00 0.00 174.94 171.83 2wp0 s GLU 88 N -1.94 1.59 0.46 3.50 2.02 0.78 -4.93 118.70 120.17 2wp0 s GLU 88 Ca 0.25 -1.90 -0.02 0.00 0.02 0.00 0.00 54.97 53.32 2wp0 s GLU 88 Cb -0.12 0.12 -0.02 0.00 0.10 0.00 0.00 34.13 34.22 2wp0 s GLU 88 CO 0.17 -0.52 0.71 0.08 0.02 0.00 0.00 175.26 175.72 2wp0 s VAL 89 N -3.65 4.39 -0.03 2.63 1.01 -1.26 0.15 120.40 123.65 2wp0 s VAL 89 Ca 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2wp0 s VAL 89 Cb 0.04 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2wp0 s VAL 89 CO 0.20 -0.52 0.17 0.00 0.00 0.00 0.00 175.10 174.95 2wp0 h ALA 90 N 0.34 -0.16 -0.02 5.51 0.00 -1.73 -3.45 119.26 119.76 2wp0 h ALA 90 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wp0 h ALA 90 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wp0 h ALA 90 CO 0.60 -0.15 0.00 -0.35 0.00 0.00 0.00 179.25 179.34