#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgg h SER 2 N 0.00 -0.60 0.00 1.61 0.87 -2.10 -3.46 113.55 109.88 1wgg h SER 2 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1wgg h SER 2 Cb 0.00 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1wgg h SER 2 CO 0.00 -0.42 0.00 -1.20 -0.53 0.00 0.00 176.83 174.68 1wgg n SER 3 N -3.93 -0.03 0.00 6.23 7.64 -1.26 -5.16 113.62 117.11 1wgg n SER 3 Ca -0.09 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1wgg n SER 3 Cb 0.28 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1wgg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 4 N 1.74 0.06 2.02 0.23 0.00 -1.26 -4.88 105.19 103.10 1wgg n GLY 4 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1wgg n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgg n SER 5 N 0.00 -0.56 0.00 1.61 2.88 -1.26 -5.04 113.62 111.25 1wgg n SER 5 Ca 0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1wgg n SER 5 Cb 0.00 0.71 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1wgg n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgg n SER 6 N -3.29 0.00 -1.74 -3.46 7.64 -1.26 -5.13 113.62 106.39 1wgg n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgg n SER 6 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1wgg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 7 N 1.99 -4.74 3.31 0.23 0.00 -1.26 -5.01 105.19 99.71 1wgg n GLY 7 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1wgg n GLY 7 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgg s TYR 8 N -3.69 1.11 -0.09 1.61 1.51 0.52 -4.93 117.35 113.39 1wgg s TYR 8 Ca 0.00 -1.31 -0.01 0.00 -1.01 0.00 0.00 57.07 54.75 1wgg s TYR 8 Cb 0.00 -0.41 0.03 0.00 -0.11 0.00 0.00 41.96 41.46 1wgg s TYR 8 CO 0.00 -0.78 -0.03 -1.12 -1.11 0.00 0.00 175.55 172.50 1wgg s SER 9 N -3.18 1.85 0.37 2.29 0.01 -1.26 -2.13 113.70 111.65 1wgg s SER 9 Ca 0.36 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.47 1wgg s SER 9 Cb 0.04 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1wgg s SER 9 CO 0.15 -0.16 0.09 0.68 0.41 0.00 0.00 173.24 174.41 1wgg s VAL 10 N 1.86 0.87 -0.17 3.43 -7.23 -1.23 0.19 120.40 118.12 1wgg s VAL 10 Ca 0.05 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1wgg s VAL 10 Cb -0.12 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.28 1wgg s VAL 10 CO -0.07 0.00 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.65 1wgg s THR 11 N -3.27 2.29 -0.15 5.32 2.01 -0.94 -3.09 115.64 117.80 1wgg s THR 11 Ca 0.29 -0.88 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 1wgg s THR 11 Cb 0.06 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1wgg s THR 11 CO 0.14 0.53 0.60 -0.69 -0.69 0.00 0.00 174.62 174.51 1wgg s VAL 12 N 1.09 5.08 -0.21 3.82 1.01 -0.49 0.20 120.40 130.89 1wgg s VAL 12 Ca -0.00 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.16 1wgg s VAL 12 Cb -0.14 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.35 1wgg s VAL 12 CO -0.07 0.20 -0.16 -0.75 0.00 0.00 0.00 175.10 174.33 1wgg s LYS 13 N 1.30 2.70 -0.31 2.72 2.20 -0.19 -1.45 119.74 126.71 1wgg s LYS 13 Ca 0.30 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1wgg s LYS 13 Cb -0.16 -2.70 0.10 0.00 -1.51 0.00 0.00 37.83 33.55 1wgg s LYS 13 CO 0.12 -0.35 0.08 -0.46 -0.36 0.00 0.00 175.35 174.38 1wgg s TRP 14 N 1.22 2.23 0.00 4.03 -0.00 -0.80 -1.40 118.94 124.22 1wgg s TRP 14 Ca -0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 56.10 54.06 1wgg s TRP 14 Cb -0.16 -1.99 0.00 0.00 -0.00 0.00 0.00 33.47 31.32 1wgg s TRP 14 CO -0.10 -0.88 0.00 0.41 -0.00 0.00 0.00 176.95 176.38 1wgg n GLY 15 N 4.70 2.08 0.34 5.86 0.00 -1.26 0.17 105.19 117.08 1wgg n GLY 15 Ca -0.01 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1wgg n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wgg h LYS 16 N 0.00 0.58 -6.95 1.61 3.64 -2.01 -3.41 116.57 110.02 1wgg h LYS 16 Ca 0.00 -0.03 -0.52 0.00 -1.27 0.00 0.00 60.65 58.82 1wgg h LYS 16 Cb 0.00 -0.13 0.08 0.00 -0.41 0.00 0.00 32.23 31.77 1wgg h LYS 16 CO 0.00 0.38 0.59 -1.21 -2.27 0.00 0.00 179.45 176.95 1wgg s GLU 17 N -5.54 3.93 -0.06 1.90 0.41 0.45 -5.03 118.70 114.76 1wgg s GLU 17 Ca -0.09 2.10 -0.02 0.00 -0.41 0.00 0.00 54.97 56.55 1wgg s GLU 17 Cb 0.19 -2.71 0.03 0.00 -1.78 0.00 0.00 34.13 29.87 1wgg s GLU 17 CO 0.75 -0.51 0.12 0.21 -0.49 0.00 0.00 175.26 175.35 1wgg s LYS 18 N -2.30 0.07 -0.19 1.61 2.20 -1.26 -1.90 119.74 117.97 1wgg s LYS 18 Ca 0.58 0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 56.50 1wgg s LYS 18 Cb -0.37 -0.17 0.06 0.00 -1.51 0.00 0.00 37.83 35.84 1wgg s LYS 18 CO 0.47 -0.15 0.00 -0.06 -0.36 0.00 0.00 175.35 175.25 1wgg s PHE 19 N 1.06 1.38 -0.19 4.03 0.08 -0.53 -5.02 117.98 118.80 1wgg s PHE 19 Ca -0.08 -1.03 -0.02 0.00 0.12 0.00 0.00 56.93 55.92 1wgg s PHE 19 Cb -0.11 -1.17 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 1wgg s PHE 19 CO -0.05 -0.63 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.14 1wgg s GLU 20 N 1.74 3.31 0.00 0.44 2.02 -1.26 -1.40 118.70 123.55 1wgg s GLU 20 Ca -0.01 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1wgg s GLU 20 Cb -0.17 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1wgg s GLU 20 CO -0.07 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1wgg n GLY 21 N 4.37 0.70 3.87 -1.39 0.00 -1.26 -5.07 105.19 106.42 1wgg n GLY 21 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1wgg n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgg s VAL 22 N -1.01 5.12 -0.09 1.61 1.01 -1.18 -5.04 120.40 120.82 1wgg s VAL 22 Ca 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.17 1wgg s VAL 22 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1wgg s VAL 22 CO 0.00 0.27 0.51 -1.61 0.00 0.00 0.00 175.10 174.27 1wgg s GLU 23 N -1.96 4.32 -0.01 2.72 0.41 -1.26 -3.54 118.70 119.39 1wgg s GLU 23 Ca 0.33 0.53 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 1wgg s GLU 23 Cb -0.14 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.81 1wgg s GLU 23 CO 0.18 0.21 -0.01 -1.17 -0.49 0.00 0.00 175.26 173.98 1wgg s LEU 24 N 0.44 1.83 0.01 1.80 2.96 -0.91 -4.99 118.68 119.82 1wgg s LEU 24 Ca 0.28 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1wgg s LEU 24 Cb -0.16 -0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 1wgg s LEU 24 CO 0.12 -0.01 -0.14 0.21 -1.32 0.00 0.00 176.35 175.21 1wgg s ASN 25 N 0.19 1.61 -0.01 3.68 2.47 -1.26 0.19 114.94 121.80 1wgg s ASN 25 Ca -0.02 -0.34 0.19 0.00 0.42 0.00 0.00 52.86 53.12 1wgg s ASN 25 Cb -0.03 -0.14 -0.21 0.00 -1.45 0.00 0.00 41.25 39.41 1wgg s ASN 25 CO -0.01 0.10 0.56 0.35 -3.72 0.00 0.00 177.10 174.39 1wgg n THR 26 N 2.36 0.79 0.22 -5.21 -2.24 -1.26 -4.05 114.28 104.89 1wgg n THR 26 Ca -0.16 -0.65 0.17 0.00 -2.27 0.00 0.00 64.05 61.13 1wgg n THR 26 Cb 0.55 -0.39 0.71 0.00 -2.10 0.00 0.00 70.33 69.11 1wgg n THR 26 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1wgg h ASP 27 N 0.00 0.00 -0.89 3.42 3.58 -1.99 -3.41 116.42 117.14 1wgg h ASP 27 Ca -0.18 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.68 1wgg h ASP 27 Cb 1.49 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.47 1wgg h ASP 27 CO 0.02 0.00 -0.39 -1.83 -2.88 0.00 0.00 179.24 174.16 1wgg s GLU 28 N -4.30 2.27 0.97 0.28 -1.05 -1.26 -5.14 118.70 110.47 1wgg s GLU 28 Ca -0.03 -1.98 -0.14 0.00 -0.15 0.00 0.00 54.97 52.66 1wgg s GLU 28 Cb 0.11 -2.02 0.18 0.00 -0.44 0.00 0.00 34.13 31.96 1wgg s GLU 28 CO 0.36 -0.41 1.17 -1.25 0.95 0.00 0.00 175.26 176.08 1wgg s PRO 29 N -4.11 0.63 0.08 -4.83 0.04 -1.26 -4.77 135.00 120.78 1wgg s PRO 29 Ca 0.33 0.09 0.23 0.00 0.04 0.00 0.00 61.00 61.69 1wgg s PRO 29 Cb -0.00 -1.80 0.92 0.00 0.04 0.00 0.00 34.50 33.66 1wgg s PRO 29 CO 0.20 -2.50 1.72 -0.35 0.04 0.00 0.00 177.00 176.10 1wgg n PRO 30 N -3.94 0.08 -0.08 0.56 -0.04 -1.26 -3.01 135.00 127.31 1wgg n PRO 30 Ca 0.09 0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.70 1wgg n PRO 30 Cb 0.59 -1.62 0.16 0.00 -0.04 0.00 0.00 33.50 32.59 1wgg n PRO 30 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1wgg h MET 31 N 0.00 0.73 0.67 0.54 2.86 -1.82 -2.01 114.93 115.89 1wgg h MET 31 Ca 0.00 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1wgg h MET 31 Cb 0.44 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.03 1wgg h MET 31 CO 0.00 0.80 -0.32 0.28 1.06 0.00 0.00 176.91 178.73 1wgg h VAL 32 N 0.67 0.23 -0.80 -2.22 2.07 -1.91 0.42 116.25 114.71 1wgg h VAL 32 Ca 0.12 -0.23 0.22 0.00 0.82 0.00 0.00 66.70 67.63 1wgg h VAL 32 Cb 0.53 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1wgg h VAL 32 CO 0.03 0.02 0.57 0.15 0.02 0.00 0.00 177.57 178.36 1wgg h PHE 33 N -1.08 0.11 0.00 1.57 3.57 -1.69 0.85 116.94 120.28 1wgg h PHE 33 Ca -0.09 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.25 1wgg h PHE 33 Cb 0.72 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1wgg h PHE 33 CO -0.00 0.03 -0.84 0.87 -2.23 0.00 0.00 178.31 176.13 1wgg h LYS 34 N 0.08 0.00 0.00 1.11 1.57 -1.01 -2.65 116.57 115.67 1wgg h LYS 34 Ca 0.39 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1wgg h LYS 34 Cb 1.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1wgg h LYS 34 CO -0.04 0.64 -0.45 0.00 -0.57 0.00 0.00 179.45 179.04 1wgg h ALA 35 N 1.30 1.02 0.13 3.86 0.00 0.52 -2.69 119.26 123.41 1wgg h ALA 35 Ca -0.04 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1wgg h ALA 35 Cb 1.57 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.31 1wgg h ALA 35 CO 0.09 0.56 -0.76 0.37 0.00 0.00 0.00 179.25 179.50 1wgg h GLN 36 N 0.00 0.28 -0.60 0.00 4.15 -0.99 -3.26 115.11 114.69 1wgg h GLN 36 Ca -0.00 -0.47 0.14 0.00 0.77 0.00 0.00 58.65 59.08 1wgg h GLN 36 Cb 0.93 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 1wgg h GLN 36 CO 0.06 1.23 0.41 -0.07 -1.93 0.00 0.00 178.83 178.53 1wgg h LEU 37 N -0.42 0.19 -1.58 -2.39 3.38 -1.42 0.25 115.31 113.32 1wgg h LEU 37 Ca -0.13 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1wgg h LEU 37 Cb 1.60 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 1wgg h LEU 37 CO 0.14 0.11 0.37 0.15 0.09 0.00 0.00 178.44 179.29 1wgg h PHE 38 N 0.21 0.52 0.00 1.13 3.57 -1.52 0.25 116.94 121.10 1wgg h PHE 38 Ca 0.29 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1wgg h PHE 38 Cb 0.85 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1wgg h PHE 38 CO -0.00 0.28 -0.61 0.00 -2.23 0.00 0.00 178.31 175.75 1wgg n ALA 39 N -2.49 3.66 -0.01 2.41 0.00 0.76 -1.96 120.51 122.87 1wgg n ALA 39 Ca 0.08 -0.38 -0.17 0.00 0.00 0.00 0.00 53.44 52.97 1wgg n ALA 39 Cb 0.24 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 1wgg n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wgg h LEU 40 N 0.00 0.23 0.00 0.00 3.38 0.53 -3.44 115.31 116.02 1wgg h LEU 40 Ca 0.00 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.01 1wgg h LEU 40 Cb 0.53 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wgg h LEU 40 CO 0.00 1.18 -0.14 0.35 0.09 0.00 0.00 178.44 179.92 1wgg n THR 41 N -4.38 0.47 0.00 0.22 -2.24 0.12 -5.07 114.28 103.40 1wgg n THR 41 Ca -0.12 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1wgg n THR 41 Cb 0.64 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1wgg n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wgg n GLY 42 N 2.68 0.44 3.77 3.38 0.00 -0.83 -5.05 105.19 109.59 1wgg n GLY 42 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1wgg n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgg s VAL 43 N 0.00 2.82 0.76 1.61 1.01 -1.26 -4.74 120.40 120.61 1wgg s VAL 43 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 1wgg s VAL 43 Cb 0.00 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.99 1wgg s VAL 43 CO 0.00 0.12 1.15 -1.10 0.00 0.00 0.00 175.10 175.27 1wgg s GLN 44 N -2.11 2.06 0.00 2.72 -1.52 -1.26 -4.02 119.66 115.53 1wgg s GLN 44 Ca 0.54 1.50 0.21 0.00 -1.95 0.00 0.00 55.36 55.67 1wgg s GLN 44 Cb -0.36 -1.85 1.28 0.00 -0.22 0.00 0.00 33.01 31.86 1wgg s GLN 44 CO 0.47 -1.84 1.69 -0.35 -0.25 0.00 0.00 175.29 175.00 1wgg n PRO 45 N -3.16 0.75 -0.09 2.91 -0.04 -1.26 0.28 135.00 134.39 1wgg n PRO 45 Ca 0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 1wgg n PRO 45 Cb 0.52 -1.45 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 1wgg n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wgg n ALA 46 N -0.95 1.56 -0.08 0.55 0.00 -1.26 -4.48 120.51 115.85 1wgg n ALA 46 Ca 0.16 -1.25 -0.10 0.00 0.00 0.00 0.00 53.44 52.24 1wgg n ALA 46 Cb 0.07 -0.17 -0.15 0.00 0.00 0.00 0.00 19.45 19.20 1wgg n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wgg n ARG 47 N -2.70 0.68 -1.54 0.00 1.74 -0.99 -4.86 116.66 108.99 1wgg n ARG 47 Ca -0.31 0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.48 1wgg n ARG 47 Cb 1.11 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.91 1wgg n ARG 47 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wgg n GLN 48 N -2.85 0.75 -2.33 5.56 6.02 0.14 -4.72 117.38 119.95 1wgg n GLN 48 Ca -0.31 -0.05 -0.36 0.00 -0.01 0.00 0.00 57.00 56.27 1wgg n GLN 48 Cb 1.13 -2.95 -0.04 0.00 1.02 0.00 0.00 30.24 29.40 1wgg n GLN 48 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1wgg s LYS 49 N 8.48 3.06 -0.62 -1.09 2.20 -0.48 -4.89 119.74 126.40 1wgg s LYS 49 Ca 1.08 -0.47 -0.22 0.00 -0.36 0.00 0.00 55.97 56.00 1wgg s LYS 49 Cb -0.44 -4.93 0.07 0.00 -1.51 0.00 0.00 37.83 31.02 1wgg s LYS 49 CO 0.31 -2.64 0.89 0.08 -0.36 0.00 0.00 175.35 173.63 1wgg s VAL 50 N 7.28 4.46 0.84 4.02 1.01 -1.26 -2.83 120.40 133.93 1wgg s VAL 50 Ca 0.55 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1wgg s VAL 50 Cb -0.05 -4.59 0.10 0.00 0.00 0.00 0.00 36.38 31.84 1wgg s VAL 50 CO 0.01 -1.29 1.18 -0.04 0.00 0.00 0.00 175.10 174.97 1wgg s MET 51 N 3.70 1.67 0.08 2.72 -1.94 -0.81 -1.45 119.30 123.26 1wgg s MET 51 Ca 0.21 0.11 0.02 0.00 -1.71 0.00 0.00 55.69 54.32 1wgg s MET 51 Cb -0.18 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 1wgg s MET 51 CO 0.11 -1.80 -0.07 0.08 -0.01 0.00 0.00 175.02 173.33 1wgg s VAL 52 N -3.53 0.64 0.24 -6.03 1.01 0.51 -4.33 120.40 108.91 1wgg s VAL 52 Ca 0.63 -1.61 0.13 0.00 0.00 0.00 0.00 61.98 61.14 1wgg s VAL 52 Cb -0.11 -1.27 0.23 0.00 0.00 0.00 0.00 36.38 35.23 1wgg s VAL 52 CO 0.50 -0.68 1.03 0.29 0.00 0.00 0.00 175.10 176.24 1wgg n LYS 53 N 0.54 -0.04 -2.69 2.72 4.76 -1.26 -2.08 118.16 120.11 1wgg n LYS 53 Ca -0.16 0.91 -0.04 0.00 -2.87 0.00 0.00 58.31 56.15 1wgg n LYS 53 Cb 0.58 -1.62 0.12 0.00 -1.84 0.00 0.00 35.03 32.27 1wgg n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wgg n GLY 54 N -1.18 1.78 0.00 0.72 0.00 -1.26 -5.14 105.19 100.11 1wgg n GLY 54 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wgg n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgg n GLY 55 N -1.13 0.79 3.17 -0.02 0.00 -0.88 -5.17 105.19 101.95 1wgg n GLY 55 Ca -0.11 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 1wgg n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgg s THR 56 N -2.21 1.36 0.01 2.61 2.01 -1.26 0.19 115.64 118.35 1wgg s THR 56 Ca 0.00 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1wgg s THR 56 Cb 0.00 -1.16 -0.07 0.00 0.01 0.00 0.00 72.50 71.28 1wgg s THR 56 CO 0.00 0.28 1.71 -0.22 -0.69 0.00 0.00 174.62 175.70 1wgg s LEU 57 N -0.68 4.36 0.00 4.42 0.20 -0.53 -4.91 118.68 121.54 1wgg s LEU 57 Ca 0.06 2.41 -0.05 0.00 0.69 0.00 0.00 54.13 57.24 1wgg s LEU 57 Cb -0.07 -3.54 0.07 0.00 -0.43 0.00 0.00 46.19 42.22 1wgg s LEU 57 CO 0.00 -0.93 0.21 0.29 -0.29 0.00 0.00 176.35 175.64 1wgg n LYS 58 N 6.58 -1.92 0.00 1.98 5.02 -1.26 -4.90 118.16 123.66 1wgg n LYS 58 Ca 0.17 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1wgg n LYS 58 Cb 0.42 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 1wgg n LYS 58 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wgg n ASP 59 N -3.48 0.01 0.02 4.39 8.00 -1.26 -4.58 116.55 119.64 1wgg n ASP 59 Ca 0.03 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 1wgg n ASP 59 Cb 0.13 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 1wgg n ASP 59 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1wgg h ASP 60 N 0.00 0.02 -4.76 -2.24 1.82 -1.98 -3.33 116.42 105.95 1wgg h ASP 60 Ca 0.00 -0.15 0.06 0.00 -0.39 0.00 0.00 57.03 56.55 1wgg h ASP 60 Cb 0.55 -0.00 -0.14 0.00 0.68 0.00 0.00 39.33 40.42 1wgg h ASP 60 CO 0.00 0.17 0.40 -1.81 -1.61 0.00 0.00 179.24 176.38 1wgg s ASP 61 N -5.36 -0.44 0.08 2.28 1.01 -1.26 -4.71 116.67 108.26 1wgg s ASP 61 Ca -0.14 0.02 -0.20 0.00 0.71 0.00 0.00 52.55 52.95 1wgg s ASP 61 Cb 0.05 0.46 -0.10 0.00 1.01 0.00 0.00 42.92 44.34 1wgg s ASP 61 CO 0.67 -0.73 1.53 -0.50 0.21 0.00 0.00 175.17 176.34 1wgg h TRP 62 N 2.03 0.39 0.00 4.23 4.06 -1.91 -3.41 115.95 121.34 1wgg h TRP 62 Ca -0.26 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.63 1wgg h TRP 62 Cb 1.26 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1wgg h TRP 62 CO 0.25 0.53 0.00 0.41 -3.56 0.00 0.00 178.44 176.07 1wgg n GLY 63 N -0.37 0.76 2.42 1.49 0.00 -1.26 -4.07 105.19 104.17 1wgg n GLY 63 Ca -0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 1wgg n GLY 63 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wgg n ASN 64 N 2.54 -0.39 -4.77 1.61 2.85 -1.26 -5.12 115.26 110.72 1wgg n ASN 64 Ca 0.00 -2.12 -0.40 0.00 -0.11 0.00 0.00 54.58 51.95 1wgg n ASN 64 Cb 0.00 0.24 -0.03 0.00 1.24 0.00 0.00 39.78 41.24 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1wgg s ILE 65 N -1.00 3.02 -1.37 -1.44 1.01 -1.26 -4.91 121.20 115.26 1wgg s ILE 65 Ca 0.15 1.01 -0.14 0.00 0.00 0.00 0.00 60.65 61.66 1wgg s ILE 65 Cb 0.35 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 39.27 1wgg s ILE 65 CO -0.09 0.22 1.99 0.29 0.00 0.00 0.00 174.94 177.35 1wgg n LYS 66 N 0.81 3.10 -2.75 2.79 4.76 -1.26 -4.96 118.16 120.66 1wgg n LYS 66 Ca 0.00 -3.02 -0.35 0.00 -2.87 0.00 0.00 58.31 52.07 1wgg n LYS 66 Cb 0.43 -3.27 -0.06 0.00 -1.84 0.00 0.00 35.03 30.30 1wgg n LYS 66 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1wgg s MET 67 N 2.88 4.38 0.19 1.97 -1.94 -1.26 -5.07 119.30 120.46 1wgg s MET 67 Ca 0.47 1.29 -0.05 0.00 -1.71 0.00 0.00 55.69 55.69 1wgg s MET 67 Cb 0.09 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 1wgg s MET 67 CO -0.02 0.09 0.21 0.15 -0.01 0.00 0.00 175.02 175.44 1wgg s LYS 68 N -2.53 1.20 -0.34 2.03 1.02 -1.26 -5.13 119.74 114.73 1wgg s LYS 68 Ca 0.56 -1.42 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 1wgg s LYS 68 Cb -0.16 0.33 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1wgg s LYS 68 CO 0.21 -0.42 0.22 0.54 -0.92 0.00 0.00 175.35 174.98 1wgg s ASN 69 N -3.07 5.90 0.00 2.83 2.20 -1.26 -4.29 114.94 117.25 1wgg s ASN 69 Ca 0.28 -0.57 0.00 0.00 -0.94 0.00 0.00 52.86 51.63 1wgg s ASN 69 Cb 0.05 -2.09 0.00 0.00 -2.00 0.00 0.00 41.25 37.21 1wgg s ASN 69 CO 0.07 -0.27 0.00 0.61 -2.94 0.00 0.00 177.10 174.57 1wgg n GLY 70 N 5.07 3.61 3.21 0.45 0.00 0.51 -4.83 105.19 113.21 1wgg n GLY 70 Ca -0.13 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1wgg n GLY 70 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wgg n MET 71 N 0.00 -1.87 -4.87 1.61 0.00 -1.26 -4.64 117.12 106.09 1wgg n MET 71 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 57.70 56.85 1wgg n MET 71 Cb 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 33.22 31.45 1wgg n MET 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1wgg s THR 72 N -2.18 2.71 -0.21 3.17 2.01 -1.26 -2.23 115.64 117.65 1wgg s THR 72 Ca 0.51 -1.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1wgg s THR 72 Cb -0.10 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1wgg s THR 72 CO 0.58 0.47 0.03 -0.69 -0.69 0.00 0.00 174.62 174.32 1wgg s VAL 73 N -0.80 4.16 -0.24 3.82 1.01 0.53 -4.79 120.40 124.09 1wgg s VAL 73 Ca 0.13 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1wgg s VAL 73 Cb -0.10 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1wgg s VAL 73 CO 0.02 0.41 0.44 -0.22 0.00 0.00 0.00 175.10 175.75 1wgg s LEU 74 N 1.04 4.09 -0.11 3.92 1.98 -1.26 -1.02 118.68 127.32 1wgg s LEU 74 Ca 0.03 0.46 0.01 0.00 -2.89 0.00 0.00 54.13 51.74 1wgg s LEU 74 Cb -0.14 -2.55 -0.02 0.00 0.66 0.00 0.00 46.19 44.14 1wgg s LEU 74 CO 0.02 -0.18 -0.14 -0.32 -1.89 0.00 0.00 176.35 173.84 1wgg s MET 75 N 1.87 3.16 -0.03 1.98 1.75 -0.49 -1.92 119.30 125.60 1wgg s MET 75 Ca 0.19 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 53.94 1wgg s MET 75 Cb -0.15 -2.55 0.02 0.00 2.84 0.00 0.00 34.83 34.98 1wgg s MET 75 CO 0.09 0.31 -0.03 -1.64 -0.65 0.00 0.00 175.02 173.10 1wgg s MET 76 N 0.09 0.55 0.00 4.11 -1.94 -1.13 -4.46 119.30 116.53 1wgg s MET 76 Ca -0.06 -0.07 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 1wgg s MET 76 Cb -0.15 -0.61 0.00 0.00 2.01 0.00 0.00 34.83 36.09 1wgg s MET 76 CO 0.05 -0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.42 1wgg n GLY 77 N 3.77 1.75 3.04 -0.03 0.00 -1.26 -1.39 105.19 111.08 1wgg n GLY 77 Ca -0.23 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 1wgg n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgg s SER 78 N 0.00 0.99 -0.61 1.61 1.04 -1.26 -4.95 113.70 110.52 1wgg s SER 78 Ca 0.00 -0.33 -0.11 0.00 0.48 0.00 0.00 55.95 55.99 1wgg s SER 78 Cb 0.00 -0.05 0.16 0.00 0.10 0.00 0.00 66.02 66.23 1wgg s SER 78 CO 0.00 -0.02 0.51 0.00 0.98 0.00 0.00 173.24 174.71 1wgg s ALA 79 N -0.71 3.67 -0.38 5.32 0.00 -1.26 -4.78 121.76 123.62 1wgg s ALA 79 Ca -0.02 -2.89 0.06 0.00 0.00 0.00 0.00 51.96 49.11 1wgg s ALA 79 Cb -0.06 -3.07 0.63 0.00 0.00 0.00 0.00 23.12 20.62 1wgg s ALA 79 CO 0.00 -2.07 1.74 -3.47 0.00 0.00 0.00 175.76 171.97 1wgg n ASP 80 N 4.45 4.12 -1.17 0.00 2.03 -1.26 -4.98 116.55 119.74 1wgg n ASP 80 Ca -0.00 -3.22 0.00 0.00 0.52 0.00 0.00 54.79 52.08 1wgg n ASP 80 Cb 0.42 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1wgg n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wgg n ALA 81 N -0.48 -2.43 -1.79 -1.67 0.00 -1.26 -4.94 120.51 107.94 1wgg n ALA 81 Ca 0.44 0.28 -0.35 0.00 0.00 0.00 0.00 53.44 53.82 1wgg n ALA 81 Cb 1.39 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 1wgg n ALA 81 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wgg s LEU 82 N -1.37 3.90 -1.20 0.00 0.05 -1.26 -4.91 118.68 113.89 1wgg s LEU 82 Ca 0.00 1.98 -0.20 0.00 0.05 0.00 0.00 54.13 55.96 1wgg s LEU 82 Cb 0.00 -4.48 -0.03 0.00 -2.05 0.00 0.00 46.19 39.64 1wgg s LEU 82 CO 0.00 -0.76 1.91 -0.81 -0.55 0.00 0.00 176.35 176.14 1wgg n PRO 83 N -0.79 2.33 0.00 1.48 -0.04 -1.26 -4.77 135.00 131.95 1wgg n PRO 83 Ca 0.09 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.87 1wgg n PRO 83 Cb 0.52 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1wgg n PRO 83 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1wgg n GLU 84 N 7.78 0.00 -3.78 0.54 2.13 -1.26 -5.17 120.64 120.89 1wgg n GLU 84 Ca 0.48 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.98 1wgg n GLU 84 Cb 0.44 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.11 1wgg n GLU 84 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1wgg s GLU 85 N -2.00 3.55 0.63 5.31 2.02 -1.26 -5.09 118.70 121.86 1wgg s GLU 85 Ca 0.00 -0.20 -0.14 0.00 0.02 0.00 0.00 54.97 54.65 1wgg s GLU 85 Cb 0.00 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 1wgg s GLU 85 CO 0.00 0.56 1.05 -1.25 0.02 0.00 0.00 175.26 175.64 1wgg s PRO 86 N -2.38 3.22 -0.16 0.39 0.04 -1.26 -5.07 135.00 129.78 1wgg s PRO 86 Ca 0.36 1.08 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 1wgg s PRO 86 Cb -0.13 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.45 1wgg s PRO 86 CO 0.24 -0.88 0.37 -1.12 0.04 0.00 0.00 177.00 175.64 1wgg s SER 87 N -3.22 -0.33 -0.36 6.66 0.01 -1.26 -5.00 113.70 110.20 1wgg s SER 87 Ca 0.61 0.81 -0.11 0.00 1.31 0.00 0.00 55.95 58.57 1wgg s SER 87 Cb -0.15 0.80 0.02 0.00 0.21 0.00 0.00 66.02 66.90 1wgg s SER 87 CO 0.44 -0.20 0.35 0.00 0.41 0.00 0.00 173.24 174.24 1wgg n ALA 88 N 4.58 -3.06 -1.53 1.44 0.00 -1.26 -4.77 120.51 115.90 1wgg n ALA 88 Ca -0.19 0.79 -0.53 0.00 0.00 0.00 0.00 53.44 53.50 1wgg n ALA 88 Cb 0.53 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 1wgg n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wgg n LYS 89 N 0.18 0.59 -2.25 0.00 5.02 -1.26 -4.84 118.16 115.60 1wgg n LYS 89 Ca 0.05 0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 56.14 1wgg n LYS 89 Cb 0.32 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1wgg n LYS 89 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wgg s THR 90 N -0.05 3.36 -0.20 -0.18 2.01 -1.26 -4.34 115.64 114.98 1wgg s THR 90 Ca 0.82 1.07 -0.09 0.00 0.31 0.00 0.00 61.69 63.79 1wgg s THR 90 Cb -1.04 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 67.82 1wgg s THR 90 CO 0.53 0.14 0.19 -1.20 -0.69 0.00 0.00 174.62 173.59 1wgg n SER 91 N 3.02 -1.88 0.00 3.53 7.64 -1.26 -5.05 113.62 119.63 1wgg n SER 91 Ca 0.07 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1wgg n SER 91 Cb 0.43 -5.01 0.00 0.00 -1.01 0.00 0.00 64.21 58.62 1wgg n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 92 N 1.40 -0.28 0.13 0.23 0.00 -1.26 -4.98 105.19 100.44 1wgg n GLY 92 Ca -0.32 0.39 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1wgg n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgg h PRO 93 N 0.00 0.00 -6.64 1.61 0.13 -1.97 -3.44 132.00 121.69 1wgg h PRO 93 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1wgg h PRO 93 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1wgg h PRO 93 CO 0.00 0.65 0.73 -1.54 -0.23 0.00 0.00 178.00 177.61 1wgg s SER 94 N -6.69 6.78 0.03 1.44 1.04 -1.26 -5.02 113.70 110.02 1wgg s SER 94 Ca 0.00 2.47 0.02 0.00 0.48 0.00 0.00 55.95 58.92 1wgg s SER 94 Cb 0.11 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 1wgg s SER 94 CO 0.76 -0.65 -0.08 -0.55 0.98 0.00 0.00 173.24 173.70 1wgg s SER 95 N 0.69 0.91 0.00 7.02 0.15 -1.26 -4.93 113.70 116.27 1wgg s SER 95 Ca 0.62 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1wgg s SER 95 Cb -0.39 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 1wgg s SER 95 CO 0.36 -0.08 0.08 0.61 1.20 0.00 0.00 173.24 175.40