#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgq s SER 2 N 0.00 -0.11 0.13 1.61 0.01 -1.26 -5.15 113.70 108.92 1wgq s SER 2 Ca 0.00 0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.38 1wgq s SER 2 Cb 0.00 1.35 -0.04 0.00 0.21 0.00 0.00 66.02 67.54 1wgq s SER 2 CO 0.00 -0.31 -0.08 -0.94 0.41 0.00 0.00 173.24 172.32 1wgq s SER 3 N 2.62 1.45 -1.18 2.44 1.04 -1.26 -4.82 113.70 113.99 1wgq s SER 3 Ca 0.13 -1.02 -0.11 0.00 0.48 0.00 0.00 55.95 55.42 1wgq s SER 3 Cb -0.14 0.05 -0.07 0.00 0.10 0.00 0.00 66.02 65.96 1wgq s SER 3 CO -0.23 -0.41 2.33 0.61 0.98 0.00 0.00 173.24 176.52 1wgq n GLY 4 N -0.13 3.54 2.76 7.32 0.00 -1.26 -4.77 105.19 112.66 1wgq n GLY 4 Ca -0.11 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 1wgq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq s SER 5 N 3.32 2.58 0.29 1.61 0.01 -1.26 -5.12 113.70 115.13 1wgq s SER 5 Ca 0.52 -0.63 -0.29 0.00 1.31 0.00 0.00 55.95 56.86 1wgq s SER 5 Cb 0.14 -0.59 -0.10 0.00 0.21 0.00 0.00 66.02 65.68 1wgq s SER 5 CO -0.02 -0.27 1.31 -0.44 0.41 0.00 0.00 173.24 174.24 1wgq s SER 6 N 1.86 6.82 0.98 2.44 0.01 -1.26 -4.71 113.70 119.83 1wgq s SER 6 Ca 0.01 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.86 1wgq s SER 6 Cb -0.16 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1wgq s SER 6 CO -0.07 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.66 1wgq n GLY 7 N 1.38 2.14 3.79 3.44 0.00 -1.26 -4.71 105.19 109.97 1wgq n GLY 7 Ca 0.02 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1wgq n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq s SER 8 N -4.00 7.23 0.16 1.61 0.01 -1.26 -4.96 113.70 112.49 1wgq s SER 8 Ca 0.00 1.80 -0.28 0.00 1.31 0.00 0.00 55.95 58.78 1wgq s SER 8 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1wgq s SER 8 CO 0.00 -0.14 1.46 0.41 0.41 0.00 0.00 173.24 175.38 1wgq n THR 9 N 0.26 -0.63 -3.79 1.44 -1.04 -1.24 -4.55 114.28 104.72 1wgq n THR 9 Ca 0.03 2.29 -0.13 0.00 -2.04 0.00 0.00 64.05 64.20 1wgq n THR 9 Cb 0.51 -2.84 -0.12 0.00 -1.82 0.00 0.00 70.33 66.06 1wgq n THR 9 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1wgq s MET 10 N -5.51 0.24 -0.27 -2.82 0.00 -1.26 -4.95 119.30 104.73 1wgq s MET 10 Ca -0.12 0.31 -0.04 0.00 0.00 0.00 0.00 55.69 55.84 1wgq s MET 10 Cb 0.11 0.10 0.15 0.00 0.00 0.00 0.00 34.83 35.19 1wgq s MET 10 CO 0.60 -0.04 0.54 -1.54 0.00 0.00 0.00 175.02 174.57 1wgq s SER 11 N 0.21 -0.82 -0.09 1.11 1.04 -1.26 -1.17 113.70 112.71 1wgq s SER 11 Ca -0.01 0.93 -0.32 0.00 0.48 0.00 0.00 55.95 57.04 1wgq s SER 11 Cb -0.02 1.86 0.12 0.00 0.10 0.00 0.00 66.02 68.08 1wgq s SER 11 CO -0.00 -0.25 1.06 -0.83 0.98 0.00 0.00 173.24 174.19 1wgq s GLY 12 N 2.77 -0.37 0.14 7.32 0.00 -1.21 -5.07 107.32 110.89 1wgq s GLY 12 Ca 0.09 1.26 -0.30 0.00 0.00 0.00 0.00 44.72 45.78 1wgq s GLY 12 CO -0.18 0.42 1.06 -0.19 0.00 0.00 0.00 173.10 174.21 1wgq s TYR 13 N -2.77 3.65 0.10 1.90 2.02 -1.26 -3.54 117.35 117.45 1wgq s TYR 13 Ca 0.08 1.64 0.01 0.00 -0.37 0.00 0.00 57.07 58.42 1wgq s TYR 13 Cb -0.01 -3.21 -0.04 0.00 -0.40 0.00 0.00 41.96 38.29 1wgq s TYR 13 CO -0.06 -0.40 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.97 1wgq s LEU 14 N -0.05 2.38 -0.21 -1.29 1.43 -0.80 -4.71 118.68 115.42 1wgq s LEU 14 Ca 0.50 -1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1wgq s LEU 14 Cb -0.27 0.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1wgq s LEU 14 CO 0.32 -0.53 0.00 -0.31 0.23 0.00 0.00 176.35 176.06 1wgq s TYR 15 N -3.73 3.03 -0.06 0.29 2.02 -1.22 -1.96 117.35 115.71 1wgq s TYR 15 Ca 0.14 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.18 1wgq s TYR 15 Cb 0.06 -2.11 -0.05 0.00 -0.40 0.00 0.00 41.96 39.46 1wgq s TYR 15 CO -0.04 -0.31 0.28 0.50 -1.57 0.00 0.00 175.55 174.40 1wgq s ARG 16 N 1.18 3.73 0.09 -0.62 3.52 -0.94 -2.35 118.95 123.54 1wgq s ARG 16 Ca 0.03 0.15 -0.03 0.00 -0.13 0.00 0.00 55.73 55.75 1wgq s ARG 16 Cb -0.14 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 1wgq s ARG 16 CO 0.01 0.70 0.05 -1.54 -0.81 0.00 0.00 175.30 173.71 1wgq s SER 17 N -0.95 0.35 -0.46 -2.12 1.04 -1.09 -1.18 113.70 109.30 1wgq s SER 17 Ca 0.19 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.66 1wgq s SER 17 Cb -0.14 0.27 0.46 0.00 0.10 0.00 0.00 66.02 66.70 1wgq s SER 17 CO 0.08 -0.68 1.57 0.29 0.98 0.00 0.00 173.24 175.49 1wgq n LYS 18 N 0.00 3.14 0.00 4.02 4.76 -1.26 -0.57 118.16 128.25 1wgq n LYS 18 Ca -0.11 -3.74 0.00 0.00 -2.87 0.00 0.00 58.31 51.58 1wgq n LYS 18 Cb 0.62 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 1wgq n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wgq n GLY 19 N -0.82 1.00 0.00 0.72 0.00 -1.26 -4.90 105.19 99.93 1wgq n GLY 19 Ca 0.52 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1wgq n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgq n SER 20 N 2.55 0.00 -2.97 1.61 7.64 -1.26 -3.60 113.62 117.59 1wgq n SER 20 Ca 0.00 0.49 -0.17 0.00 1.01 0.00 0.00 58.87 60.20 1wgq n SER 20 Cb 0.00 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 1wgq n SER 20 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wgq n LYS 21 N -0.91 1.70 -4.24 1.43 5.02 -1.26 -4.77 118.16 115.13 1wgq n LYS 21 Ca 0.00 -1.19 -0.17 0.00 -2.02 0.00 0.00 58.31 54.93 1wgq n LYS 21 Cb 0.00 -2.27 -0.11 0.00 -0.02 0.00 0.00 35.03 32.63 1wgq n LYS 21 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wgq s LYS 22 N 3.25 1.03 0.20 1.97 -0.14 -1.24 -5.08 119.74 119.73 1wgq s LYS 22 Ca 0.35 -1.29 -0.30 0.00 -1.36 0.00 0.00 55.97 53.37 1wgq s LYS 22 Cb 0.11 -0.82 -0.08 0.00 -1.68 0.00 0.00 37.83 35.35 1wgq s LYS 22 CO -0.02 0.14 1.11 -1.25 -0.76 0.00 0.00 175.35 174.57 1wgq s PRO 23 N -2.94 4.60 0.48 -1.68 0.04 -1.26 -4.89 135.00 129.34 1wgq s PRO 23 Ca 0.11 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 1wgq s PRO 23 Cb -0.03 -3.25 -0.08 0.00 0.04 0.00 0.00 34.50 31.18 1wgq s PRO 23 CO 0.02 0.09 0.94 -1.58 0.04 0.00 0.00 177.00 176.51 1wgq s TRP 24 N -0.45 3.44 -0.22 0.56 0.52 -1.26 -4.54 118.94 116.98 1wgq s TRP 24 Ca 0.48 1.40 -0.02 0.00 0.02 0.00 0.00 56.10 57.99 1wgq s TRP 24 Cb -0.30 -2.73 0.06 0.00 -1.15 0.00 0.00 33.47 29.35 1wgq s TRP 24 CO 0.37 -0.28 0.01 0.15 0.02 0.00 0.00 176.95 177.22 1wgq s LYS 25 N -3.92 0.95 -0.24 4.98 1.02 -0.32 -4.92 119.74 117.29 1wgq s LYS 25 Ca 0.58 -0.66 -0.28 0.00 0.02 0.00 0.00 55.97 55.62 1wgq s LYS 25 Cb -0.10 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1wgq s LYS 25 CO 0.29 -0.66 2.05 -1.01 -0.92 0.00 0.00 175.35 175.10 1wgq s HIS 26 N 1.69 1.42 0.18 3.18 3.76 -1.26 -2.22 115.29 122.03 1wgq s HIS 26 Ca -0.01 0.53 0.02 0.00 -0.15 0.00 0.00 55.06 55.44 1wgq s HIS 26 Cb -0.18 -4.01 -0.05 0.00 1.11 0.00 0.00 32.58 29.46 1wgq s HIS 26 CO -0.09 -3.73 -0.00 -0.51 -0.85 0.00 0.00 174.74 169.56 1wgq s LEU 27 N 7.57 2.14 -0.12 0.89 1.43 -0.83 -4.98 118.68 124.79 1wgq s LEU 27 Ca 0.92 -1.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1wgq s LEU 27 Cb -0.30 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 45.84 1wgq s LEU 27 CO 0.35 -0.55 -0.23 0.86 0.23 0.00 0.00 176.35 177.01 1wgq s TRP 28 N -3.62 2.62 0.25 0.29 -0.11 -1.21 -1.91 118.94 115.25 1wgq s TRP 28 Ca 0.24 -1.17 0.10 0.00 1.22 0.00 0.00 56.10 56.49 1wgq s TRP 28 Cb 0.06 -1.76 -0.05 0.00 -1.50 0.00 0.00 33.47 30.22 1wgq s TRP 28 CO 0.04 -0.50 -0.18 -0.06 -4.62 0.00 0.00 176.95 171.63 1wgq s PHE 29 N 0.56 2.03 -0.16 5.86 0.08 -1.23 -0.18 117.98 124.94 1wgq s PHE 29 Ca -0.13 -0.44 -0.11 0.00 0.12 0.00 0.00 56.93 56.37 1wgq s PHE 29 Cb -0.17 -0.90 0.05 0.00 -0.57 0.00 0.00 43.02 41.43 1wgq s PHE 29 CO 0.04 0.56 0.40 0.08 -0.10 0.00 0.00 175.22 176.20 1wgq s VAL 30 N -2.71 -0.02 -0.76 -0.44 1.01 -1.13 -3.36 120.40 113.00 1wgq s VAL 30 Ca 0.27 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1wgq s VAL 30 Cb -0.03 -0.58 0.15 0.00 0.00 0.00 0.00 36.38 35.92 1wgq s VAL 30 CO 0.11 0.03 0.81 -0.63 0.00 0.00 0.00 175.10 175.42 1wgq s ILE 31 N 0.95 5.12 0.00 2.22 1.01 -0.32 -2.37 121.20 127.82 1wgq s ILE 31 Ca -0.06 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.87 1wgq s ILE 31 Cb -0.06 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 37.86 1wgq s ILE 31 CO -0.08 -1.16 0.00 1.17 0.00 0.00 0.00 174.94 174.87 1wgq n LYS 32 N 5.43 0.00 -2.33 2.79 4.81 -1.18 -3.69 118.16 123.99 1wgq n LYS 32 Ca 0.07 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.10 1wgq n LYS 32 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1wgq n LYS 32 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1wgq n ASN 33 N 0.00 6.96 -1.66 3.14 2.85 -1.26 -4.59 115.26 120.69 1wgq n ASN 33 Ca 0.00 -3.27 -0.17 0.00 -0.11 0.00 0.00 54.58 51.03 1wgq n ASN 33 Cb 0.00 -1.34 -0.06 0.00 1.24 0.00 0.00 39.78 39.61 1wgq n ASN 33 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wgq n LYS 34 N 1.89 -1.47 -4.85 1.20 5.02 -1.26 -4.93 118.16 113.75 1wgq n LYS 34 Ca 0.49 0.98 -0.33 0.00 -2.02 0.00 0.00 58.31 57.44 1wgq n LYS 34 Cb 0.29 -5.36 -0.15 0.00 -0.02 0.00 0.00 35.03 29.79 1wgq n LYS 34 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wgq s VAL 35 N -2.53 2.90 -0.86 -0.18 1.01 -1.26 -2.02 120.40 117.45 1wgq s VAL 35 Ca 0.00 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 1wgq s VAL 35 Cb 0.00 -2.20 0.08 0.00 0.00 0.00 0.00 36.38 34.27 1wgq s VAL 35 CO 0.00 0.53 1.18 -0.22 0.00 0.00 0.00 175.10 176.60 1wgq s LEU 36 N 0.29 4.29 0.40 3.92 1.98 0.43 -3.12 118.68 126.87 1wgq s LEU 36 Ca -0.11 -1.46 -0.19 0.00 -2.89 0.00 0.00 54.13 49.48 1wgq s LEU 36 Cb -0.16 -2.46 -0.10 0.00 0.66 0.00 0.00 46.19 44.12 1wgq s LEU 36 CO 0.06 -1.35 0.89 -0.31 -1.89 0.00 0.00 176.35 173.74 1wgq s TYR 37 N 3.93 3.33 0.21 5.38 2.02 -1.00 -3.06 117.35 128.17 1wgq s TYR 37 Ca 0.34 1.49 0.08 0.00 -0.37 0.00 0.00 57.07 58.61 1wgq s TYR 37 Cb -0.07 -2.76 -0.04 0.00 -0.40 0.00 0.00 41.96 38.69 1wgq s TYR 37 CO -0.02 -0.05 0.01 0.99 -1.57 0.00 0.00 175.55 174.91 1wgq s THR 38 N -2.13 3.68 0.36 -0.71 2.01 0.84 -2.85 115.64 116.84 1wgq s THR 38 Ca 0.60 -1.57 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 1wgq s THR 38 Cb -0.09 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.54 1wgq s THR 38 CO 0.14 -0.20 0.60 -0.31 -0.69 0.00 0.00 174.62 174.16 1wgq s TYR 39 N -1.93 0.69 -0.17 4.92 2.02 0.75 0.14 117.35 123.77 1wgq s TYR 39 Ca 0.29 -1.09 0.03 0.00 -0.37 0.00 0.00 57.07 55.93 1wgq s TYR 39 Cb -0.08 0.28 -0.03 0.00 -0.40 0.00 0.00 41.96 41.72 1wgq s TYR 39 CO 0.19 -1.30 0.16 0.00 -1.57 0.00 0.00 175.55 173.03 1wgq n ALA 40 N -0.55 2.44 0.00 3.71 0.00 -1.26 -3.28 120.51 121.57 1wgq n ALA 40 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1wgq n ALA 40 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1wgq n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgq n ALA 41 N -1.03 0.00 0.40 0.00 0.00 -1.26 -4.83 120.51 113.79 1wgq n ALA 41 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1wgq n ALA 41 Cb 0.05 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.71 1wgq n ALA 41 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wgq n SER 42 N 1.00 2.75 -0.02 0.00 3.41 -1.26 -3.65 113.62 115.85 1wgq n SER 42 Ca 0.00 -2.13 0.01 0.00 -0.26 0.00 0.00 58.87 56.49 1wgq n SER 42 Cb 0.00 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 1wgq n SER 42 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wgq n GLU 43 N 0.71 1.24 -1.44 4.33 4.07 -1.26 -5.03 120.64 123.26 1wgq n GLU 43 Ca 0.15 -0.05 -0.46 0.00 -0.06 0.00 0.00 57.16 56.75 1wgq n GLU 43 Cb 0.48 -1.19 -0.02 0.00 -0.06 0.00 0.00 31.44 30.65 1wgq n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1wgq n ASP 44 N -1.97 -0.77 0.16 4.31 8.00 -1.24 -4.83 116.55 120.21 1wgq n ASP 44 Ca -0.06 1.10 0.02 0.00 0.71 0.00 0.00 54.79 56.56 1wgq n ASP 44 Cb 0.42 -1.04 0.24 0.00 -0.02 0.00 0.00 41.12 40.72 1wgq n ASP 44 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1wgq h VAL 45 N 1.15 1.15 -2.84 2.53 -1.51 -1.95 -3.47 116.25 111.31 1wgq h VAL 45 Ca -0.32 -1.86 -0.10 0.00 -1.23 0.00 0.00 66.70 63.19 1wgq h VAL 45 Cb 1.41 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 32.62 1wgq h VAL 45 CO 0.56 0.49 0.01 0.00 -1.23 0.00 0.00 177.57 177.40 1wgq n ALA 46 N -2.35 -0.45 -2.11 5.19 0.00 -1.26 -5.15 120.51 114.38 1wgq n ALA 46 Ca -0.01 -0.76 -0.38 0.00 0.00 0.00 0.00 53.44 52.29 1wgq n ALA 46 Cb 0.58 0.61 -0.06 0.00 0.00 0.00 0.00 19.45 20.58 1wgq n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgq s ALA 47 N -1.95 3.48 0.14 0.00 0.00 -1.26 -4.78 121.76 117.39 1wgq s ALA 47 Ca 0.12 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 1wgq s ALA 47 Cb -0.01 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1wgq s ALA 47 CO 0.09 0.34 1.52 -0.07 0.00 0.00 0.00 175.76 177.64 1wgq h LEU 48 N 4.00 0.90 -8.29 0.00 3.38 -0.62 -3.46 115.31 111.23 1wgq h LEU 48 Ca -0.48 -0.40 -0.15 0.00 0.09 0.00 0.00 57.88 56.94 1wgq h LEU 48 Cb 1.20 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 1wgq h LEU 48 CO 0.65 1.10 -0.60 -1.61 0.09 0.00 0.00 178.44 178.07 1wgq s GLU 49 N -4.66 0.85 -0.05 1.13 2.02 -1.24 -4.98 118.70 111.77 1wgq s GLU 49 Ca -0.12 -1.31 -0.02 0.00 0.02 0.00 0.00 54.97 53.54 1wgq s GLU 49 Cb 0.11 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.63 1wgq s GLU 49 CO 0.85 -0.23 0.10 -1.54 0.02 0.00 0.00 175.26 174.46 1wgq s SER 50 N -2.99 -0.04 -0.13 -0.19 1.04 -1.26 -0.11 113.70 110.01 1wgq s SER 50 Ca 0.17 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.75 1wgq s SER 50 Cb 0.07 0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.34 1wgq s SER 50 CO -0.03 -0.14 0.28 -1.58 0.98 0.00 0.00 173.24 172.75 1wgq s GLN 51 N 1.11 0.20 -0.12 4.02 2.00 -1.17 -5.03 119.66 120.67 1wgq s GLN 51 Ca -0.09 0.69 -0.29 0.00 -2.00 0.00 0.00 55.36 53.67 1wgq s GLN 51 Cb -0.12 -0.04 -0.02 0.00 0.80 0.00 0.00 33.01 33.63 1wgq s GLN 51 CO -0.05 -0.23 1.25 -1.25 -0.50 0.00 0.00 175.29 174.52 1wgq s PRO 52 N 1.94 4.27 0.59 1.67 0.04 -1.26 -0.43 135.00 141.83 1wgq s PRO 52 Ca -0.03 1.69 0.30 0.00 0.04 0.00 0.00 61.00 62.99 1wgq s PRO 52 Cb -0.11 -3.69 1.81 0.00 0.04 0.00 0.00 34.50 32.54 1wgq s PRO 52 CO -0.09 -0.62 2.22 -0.07 0.04 0.00 0.00 177.00 178.48 1wgq h LEU 53 N 9.17 0.00 -8.27 -3.56 3.38 -1.75 -3.41 115.31 110.87 1wgq h LEU 53 Ca -0.30 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.28 1wgq h LEU 53 Cb 1.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1wgq h LEU 53 CO 0.94 0.00 1.50 -0.11 0.09 0.00 0.00 178.44 180.86 1wgq n LEU 54 N -3.79 1.01 0.00 1.67 -0.00 -1.26 -0.58 117.00 114.05 1wgq n LEU 54 Ca -0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 56.01 55.57 1wgq n LEU 54 Cb 0.15 -1.22 0.00 0.00 -0.00 0.00 0.00 43.42 42.34 1wgq n LEU 54 CO 0.27 -1.42 0.00 0.61 -0.00 0.00 0.00 177.39 176.85 1wgq n GLY 55 N 6.23 1.50 1.16 -3.96 0.00 -1.26 -5.08 105.19 103.78 1wgq n GLY 55 Ca 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 1wgq n GLY 55 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgq n PHE 56 N -0.11 -0.28 -3.96 1.61 3.72 0.25 -4.54 117.46 114.16 1wgq n PHE 56 Ca 0.00 -1.02 -0.09 0.00 -0.05 0.00 0.00 57.45 56.30 1wgq n PHE 56 Cb 0.00 0.10 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 1wgq n PHE 56 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1wgq s THR 57 N -2.48 0.00 0.02 4.37 2.01 0.50 -4.76 115.64 115.29 1wgq s THR 57 Ca 0.14 -1.30 -0.11 0.00 0.31 0.00 0.00 61.69 60.74 1wgq s THR 57 Cb 0.01 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1wgq s THR 57 CO 0.10 0.00 0.22 -0.69 -0.69 0.00 0.00 174.62 173.56 1wgq s VAL 58 N -3.87 0.09 -0.06 3.82 1.01 -1.26 -0.12 120.40 120.01 1wgq s VAL 58 Ca 0.20 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1wgq s VAL 58 Cb -0.02 -0.72 0.05 0.00 0.00 0.00 0.00 36.38 35.69 1wgq s VAL 58 CO 0.09 -0.40 0.53 0.28 0.00 0.00 0.00 175.10 175.60 1wgq s THR 59 N -1.97 0.02 0.24 3.92 -1.32 -1.07 -4.90 115.64 110.56 1wgq s THR 59 Ca -0.10 -0.18 -0.30 0.00 -1.21 0.00 0.00 61.69 59.91 1wgq s THR 59 Cb -0.04 -0.83 -0.09 0.00 -1.51 0.00 0.00 72.50 70.04 1wgq s THR 59 CO -0.00 -0.10 0.98 -0.22 -2.21 0.00 0.00 174.62 173.07 1wgq s LEU 60 N -1.04 4.62 0.11 9.08 1.98 -1.26 -2.16 118.68 130.01 1wgq s LEU 60 Ca -0.10 2.01 0.10 0.00 -2.89 0.00 0.00 54.13 53.25 1wgq s LEU 60 Cb -0.02 -3.61 -0.04 0.00 0.66 0.00 0.00 46.19 43.18 1wgq s LEU 60 CO 0.07 0.07 -0.26 0.54 -1.89 0.00 0.00 176.35 174.88 1wgq s VAL 61 N -1.08 2.17 -0.05 1.68 0.11 -1.18 -4.93 120.40 117.13 1wgq s VAL 61 Ca 0.42 -1.67 -0.03 0.00 -2.93 0.00 0.00 61.98 57.77 1wgq s VAL 61 Cb -0.27 -1.92 -0.01 0.00 -1.53 0.00 0.00 36.38 32.65 1wgq s VAL 61 CO 0.34 0.12 -0.06 1.17 -3.33 0.00 0.00 175.10 173.34 1wgq n LYS 62 N 1.08 0.15 -0.63 1.54 4.81 -1.26 -4.17 118.16 119.68 1wgq n LYS 62 Ca -0.18 0.33 0.07 0.00 -0.87 0.00 0.00 58.31 57.66 1wgq n LYS 62 Cb 0.53 -1.05 -0.04 0.00 0.02 0.00 0.00 35.03 34.49 1wgq n LYS 62 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1wgq n ASP 63 N -3.05 -3.40 0.17 3.14 -0.08 -1.26 -2.45 116.55 109.62 1wgq n ASP 63 Ca -0.02 0.65 0.12 0.00 -1.51 0.00 0.00 54.79 54.03 1wgq n ASP 63 Cb 0.09 -2.11 0.23 0.00 2.34 0.00 0.00 41.12 41.68 1wgq n ASP 63 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1wgq h GLU 64 N -0.56 0.00 0.00 -0.67 4.11 -2.01 -3.37 114.58 112.09 1wgq h GLU 64 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1wgq h GLU 64 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1wgq h GLU 64 CO 0.03 0.00 -0.24 -1.71 0.07 0.00 0.00 179.01 177.16 1wgq n ASN 65 N -2.74 0.85 -3.05 3.06 2.85 -1.26 -5.00 115.26 109.97 1wgq n ASN 65 Ca 0.04 0.43 -0.11 0.00 -0.11 0.00 0.00 54.58 54.83 1wgq n ASN 65 Cb 0.50 -0.68 0.06 0.00 1.24 0.00 0.00 39.78 40.90 1wgq n ASN 65 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wgq n SER 66 N -3.37 0.46 0.00 1.20 2.88 -1.25 -5.06 113.62 108.48 1wgq n SER 66 Ca -0.03 -1.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.08 1wgq n SER 66 Cb 0.12 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1wgq n SER 66 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wgq n GLU 67 N -1.92 0.00 -0.77 -1.46 1.02 -1.02 -4.12 120.64 112.38 1wgq n GLU 67 Ca 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 1wgq n GLU 67 Cb 0.26 -0.26 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1wgq n GLU 67 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wgq n SER 68 N -2.20 -0.24 -0.91 1.62 7.64 -1.26 -4.04 113.62 114.23 1wgq n SER 68 Ca 0.00 -1.56 0.04 0.00 1.01 0.00 0.00 58.87 58.36 1wgq n SER 68 Cb 0.06 0.05 0.23 0.00 -1.01 0.00 0.00 64.21 63.53 1wgq n SER 68 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wgq n LYS 69 N 0.05 2.35 -3.63 1.43 5.02 -1.26 -4.40 118.16 117.71 1wgq n LYS 69 Ca -0.09 -2.94 -0.12 0.00 -2.02 0.00 0.00 58.31 53.14 1wgq n LYS 69 Cb 0.66 -1.80 -0.05 0.00 -0.02 0.00 0.00 35.03 33.81 1wgq n LYS 69 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wgq s VAL 70 N -2.99 0.05 0.30 -0.18 0.11 -1.26 -1.46 120.40 114.98 1wgq s VAL 70 Ca 0.42 -0.45 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 1wgq s VAL 70 Cb 0.36 -1.03 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1wgq s VAL 70 CO 0.05 -0.25 0.46 0.72 -3.33 0.00 0.00 175.10 172.74 1wgq s PHE 71 N -2.99 0.84 0.05 1.54 -0.71 0.24 -3.08 117.98 113.87 1wgq s PHE 71 Ca -0.02 -1.13 0.05 0.00 -1.04 0.00 0.00 56.93 54.79 1wgq s PHE 71 Cb 0.00 -0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 1wgq s PHE 71 CO -0.06 -1.07 -0.14 -0.65 -1.34 0.00 0.00 175.22 171.96 1wgq s GLN 72 N -3.40 0.90 -0.56 1.99 -0.21 -0.92 -0.06 119.66 117.40 1wgq s GLN 72 Ca 0.28 -0.85 -0.17 0.00 0.02 0.00 0.00 55.36 54.64 1wgq s GLN 72 Cb 0.00 -0.92 0.12 0.00 1.00 0.00 0.00 33.01 33.21 1wgq s GLN 72 CO 0.16 0.22 0.59 -1.17 -2.12 0.00 0.00 175.29 172.97 1wgq s LEU 73 N -1.40 5.83 0.38 2.90 2.96 0.22 -2.60 118.68 126.97 1wgq s LEU 73 Ca 0.00 -1.63 -0.16 0.00 -0.22 0.00 0.00 54.13 52.12 1wgq s LEU 73 Cb -0.09 -2.25 -0.09 0.00 0.50 0.00 0.00 46.19 44.26 1wgq s LEU 73 CO 0.02 -0.97 0.82 -0.76 -1.32 0.00 0.00 176.35 174.14 1wgq s LEU 74 N 2.09 3.97 -0.34 -0.68 1.43 0.82 0.11 118.68 126.08 1wgq s LEU 74 Ca 0.07 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.57 1wgq s LEU 74 Cb -0.27 -4.25 0.12 0.00 0.03 0.00 0.00 46.19 41.82 1wgq s LEU 74 CO 0.04 -0.30 0.17 -2.28 0.23 0.00 0.00 176.35 174.21 1wgq s HIS 75 N -2.13 0.92 0.00 0.29 5.65 0.52 0.19 115.29 120.74 1wgq s HIS 75 Ca 0.57 -1.51 0.00 0.00 0.25 0.00 0.00 55.06 54.37 1wgq s HIS 75 Cb -0.10 -1.17 0.00 0.00 -1.18 0.00 0.00 32.58 30.13 1wgq s HIS 75 CO 0.18 -0.83 0.00 1.63 -0.65 0.00 0.00 174.74 175.07 1wgq n LYS 76 N 4.50 0.00 0.00 2.88 5.02 -1.26 -3.20 118.16 126.10 1wgq n LYS 76 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1wgq n LYS 76 Cb 0.39 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1wgq n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wgq n GLY 77 N -2.00 1.21 3.86 0.72 0.00 -1.26 -5.11 105.19 102.60 1wgq n GLY 77 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1wgq n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wgq s MET 78 N 0.00 3.88 0.03 1.61 -1.94 -1.19 -4.97 119.30 116.71 1wgq s MET 78 Ca 0.00 0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 54.05 1wgq s MET 78 Cb 0.00 -2.75 -0.05 0.00 2.01 0.00 0.00 34.83 34.04 1wgq s MET 78 CO 0.00 0.38 1.19 0.08 -0.01 0.00 0.00 175.02 176.65 1wgq s VAL 79 N -1.68 4.15 -0.25 -6.03 1.01 -1.26 0.20 120.40 116.53 1wgq s VAL 79 Ca 0.44 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.98 1wgq s VAL 79 Cb -0.13 -3.98 -0.18 0.00 0.00 0.00 0.00 36.38 32.09 1wgq s VAL 79 CO 0.20 0.09 -0.16 0.33 0.00 0.00 0.00 175.10 175.56 1wgq n PHE 80 N 4.26 0.07 -3.51 5.22 7.35 0.29 -4.86 117.46 126.28 1wgq n PHE 80 Ca 0.09 0.02 -0.09 0.00 -0.76 0.00 0.00 57.45 56.71 1wgq n PHE 80 Cb 0.47 -1.01 -0.03 0.00 0.35 0.00 0.00 39.48 39.26 1wgq n PHE 80 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1wgq s TYR 81 N -2.52 -0.37 0.23 -5.13 2.02 -1.15 -4.99 117.35 105.44 1wgq s TYR 81 Ca -0.32 0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 1wgq s TYR 81 Cb 0.09 0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 42.13 1wgq s TYR 81 CO 0.63 -0.52 0.38 0.08 -1.57 0.00 0.00 175.55 174.55 1wgq s VAL 82 N -2.69 5.24 -0.19 0.71 1.01 0.27 0.72 120.40 125.47 1wgq s VAL 82 Ca 0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1wgq s VAL 82 Cb -0.01 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.64 1wgq s VAL 82 CO -0.06 -0.28 0.44 -0.36 0.00 0.00 0.00 175.10 174.84 1wgq s PHE 83 N -1.95 -0.69 0.06 5.22 0.08 0.91 -2.69 117.98 118.92 1wgq s PHE 83 Ca 0.36 1.42 0.05 0.00 0.12 0.00 0.00 56.93 58.88 1wgq s PHE 83 Cb -0.10 0.31 -0.04 0.00 -0.57 0.00 0.00 43.02 42.63 1wgq s PHE 83 CO 0.30 -0.39 -0.07 0.21 -0.10 0.00 0.00 175.22 175.17 1wgq s LYS 84 N 1.67 2.41 0.20 0.44 2.20 -0.99 0.80 119.74 126.47 1wgq s LYS 84 Ca -0.08 -0.85 0.10 0.00 -0.36 0.00 0.00 55.97 54.78 1wgq s LYS 84 Cb -0.09 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 1wgq s LYS 84 CO -0.13 0.56 -0.15 0.00 -0.36 0.00 0.00 175.35 175.27 1wgq s ALA 85 N -1.13 2.81 0.05 3.13 0.00 -0.53 -3.41 121.76 122.67 1wgq s ALA 85 Ca 0.20 -1.58 -0.12 0.00 0.00 0.00 0.00 51.96 50.45 1wgq s ALA 85 Cb -0.11 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1wgq s ALA 85 CO 0.12 0.42 1.21 -0.44 0.00 0.00 0.00 175.76 177.06 1wgq h ASP 86 N 2.86 -0.70 -1.01 0.00 3.32 -1.84 -3.44 116.42 115.61 1wgq h ASP 86 Ca -0.46 0.09 -0.65 0.00 0.02 0.00 0.00 57.03 56.03 1wgq h ASP 86 Cb 1.21 0.29 -0.13 0.00 0.22 0.00 0.00 39.33 40.92 1wgq h ASP 86 CO 0.53 -0.15 -0.56 -1.81 -1.72 0.00 0.00 179.24 175.53 1wgq s ASP 87 N -3.59 3.99 0.12 6.45 1.11 -1.26 -5.03 116.67 118.46 1wgq s ASP 87 Ca -0.05 -1.52 -0.17 0.00 0.18 0.00 0.00 52.55 50.98 1wgq s ASP 87 Cb 0.03 0.09 -0.03 0.00 1.07 0.00 0.00 42.92 44.08 1wgq s ASP 87 CO 0.23 -0.67 1.69 0.00 1.18 0.00 0.00 175.17 177.61 1wgq h ALA 88 N 1.55 0.43 -0.60 5.23 0.00 -1.85 -2.55 119.26 121.47 1wgq h ALA 88 Ca -0.44 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.49 1wgq h ALA 88 Cb 1.28 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1wgq h ALA 88 CO 0.77 0.00 0.04 0.45 0.00 0.00 0.00 179.25 180.52 1wgq h HIS 89 N 0.40 0.04 -0.35 0.00 -0.00 -1.97 0.21 115.15 113.49 1wgq h HIS 89 Ca 0.11 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.59 1wgq h HIS 89 Cb 0.14 0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.56 1wgq h HIS 89 CO -0.01 -0.12 -0.03 0.77 -0.00 0.00 0.00 177.93 178.53 1wgq h SER 90 N 0.16 -0.21 -0.20 2.45 0.02 -1.86 -2.58 113.55 111.32 1wgq h SER 90 Ca 0.32 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.39 1wgq h SER 90 Cb 0.50 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 1wgq h SER 90 CO -0.48 -0.07 -0.47 0.74 -1.14 0.00 0.00 176.83 175.41 1wgq h THR 91 N 0.06 0.00 -0.96 -2.27 2.02 -0.58 0.55 112.91 111.72 1wgq h THR 91 Ca 0.17 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.51 1wgq h THR 91 Cb 0.24 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.49 1wgq h THR 91 CO -0.31 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.26 1wgq n GLN 92 N -4.99 -0.17 0.21 6.66 1.13 -0.86 0.19 117.38 119.55 1wgq n GLN 92 Ca -0.04 1.49 -0.15 0.00 -1.94 0.00 0.00 57.00 56.35 1wgq n GLN 92 Cb 0.31 -2.21 -0.07 0.00 0.11 0.00 0.00 30.24 28.38 1wgq n GLN 92 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wgq h ARG 93 N 0.00 -0.61 -0.30 -1.09 -0.00 -0.91 0.39 114.38 111.86 1wgq h ARG 93 Ca 0.39 0.04 0.06 0.00 -0.50 0.00 0.00 59.98 59.97 1wgq h ARG 93 Cb 0.63 0.14 -0.05 0.00 0.00 0.00 0.00 29.97 30.68 1wgq h ARG 93 CO -0.97 -0.41 -0.05 -1.49 0.00 0.00 0.00 179.97 177.06 1wgq h TRP 94 N -0.64 -0.11 0.01 3.04 4.06 0.18 1.29 115.95 123.78 1wgq h TRP 94 Ca -0.02 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1wgq h TRP 94 Cb 0.57 0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.82 1wgq h TRP 94 CO -0.16 -0.10 -0.02 0.82 -3.56 0.00 0.00 178.44 175.41 1wgq h ILE 95 N 0.03 0.00 -0.99 1.49 2.04 0.26 1.41 117.51 121.75 1wgq h ILE 95 Ca 0.14 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.24 1wgq h ILE 95 Cb 0.21 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.21 1wgq h ILE 95 CO -0.28 0.00 0.64 -0.78 0.00 0.00 0.00 178.15 177.73 1wgq h ASP 96 N -0.04 0.43 -0.33 1.72 1.82 -0.02 1.72 116.42 121.73 1wgq h ASP 96 Ca -0.00 0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 56.62 1wgq h ASP 96 Cb 0.04 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 1wgq h ASP 96 CO -0.01 0.13 -0.05 0.00 -1.61 0.00 0.00 179.24 177.69 1wgq h ALA 97 N 1.61 1.11 0.01 -0.78 0.00 0.30 0.15 119.26 121.66 1wgq h ALA 97 Ca 0.54 -0.28 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 1wgq h ALA 97 Cb 1.36 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1wgq h ALA 97 CO -0.24 0.56 -1.28 0.74 0.00 0.00 0.00 179.25 179.03 1wgq h PHE 98 N 0.67 0.05 -0.01 0.00 0.04 0.99 -2.62 116.94 116.06 1wgq h PHE 98 Ca 0.13 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1wgq h PHE 98 Cb 0.49 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 1wgq h PHE 98 CO 0.02 1.04 -0.01 1.96 -0.60 0.00 0.00 178.31 180.73 1wgq h GLN 99 N 0.01 0.03 0.00 1.51 1.08 0.23 -2.50 115.11 115.47 1wgq h GLN 99 Ca -0.12 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 1wgq h GLN 99 Cb 1.88 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.29 1wgq h GLN 99 CO 0.12 0.48 -0.38 0.93 -0.95 0.00 0.00 178.83 179.03 1wgq h GLU 100 N -0.43 0.00 0.72 1.46 4.39 -0.83 -2.65 114.58 117.24 1wgq h GLU 100 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1wgq h GLU 100 Cb 0.47 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1wgq h GLU 100 CO 0.00 0.38 -0.35 0.78 -1.16 0.00 0.00 179.01 178.67 1wgq h GLY 101 N 1.35 -1.01 0.32 -3.84 0.00 -1.37 -3.12 103.07 95.40 1wgq h GLY 101 Ca -0.00 0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.81 1wgq h GLY 101 CO 0.05 -0.37 0.24 -0.91 0.00 0.00 0.00 176.54 175.55 1wgq h THR 102 N -1.01 0.73 -1.23 4.70 1.35 -1.47 -3.42 112.91 112.58 1wgq h THR 102 Ca -0.10 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1wgq h THR 102 Cb 0.74 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1wgq h THR 102 CO 0.16 0.07 0.00 1.33 -0.25 0.00 0.00 175.52 176.84 1wgq n VAL 103 N -5.01 0.00 -3.10 6.82 0.24 -1.00 -4.24 118.33 112.04 1wgq n VAL 103 Ca 0.10 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.44 1wgq n VAL 103 Cb 0.31 -1.96 -0.00 0.00 -1.47 0.00 0.00 33.84 30.72 1wgq n VAL 103 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1wgq s SER 104 N -1.00 -0.88 0.26 -1.34 0.01 -1.25 -4.90 113.70 104.60 1wgq s SER 104 Ca 0.00 -0.04 0.07 0.00 1.31 0.00 0.00 55.95 57.30 1wgq s SER 104 Cb 0.00 1.44 -0.04 0.00 0.21 0.00 0.00 66.02 67.64 1wgq s SER 104 CO 0.00 -0.15 0.20 -0.83 0.41 0.00 0.00 173.24 172.87 1wgq s GLY 105 N 2.65 1.42 -1.08 3.44 0.00 -1.26 -5.03 107.32 107.46 1wgq s GLY 105 Ca 0.19 -1.43 -0.22 0.00 0.00 0.00 0.00 44.72 43.26 1wgq s GLY 105 CO -0.21 -1.47 1.75 2.56 0.00 0.00 0.00 173.10 175.74 1wgq s PRO 106 N -3.85 3.16 -0.32 2.90 0.04 -1.26 -4.92 135.00 130.75 1wgq s PRO 106 Ca 0.33 -1.09 -0.43 0.00 0.04 0.00 0.00 61.00 59.85 1wgq s PRO 106 Cb -0.08 -5.29 -0.18 0.00 0.04 0.00 0.00 34.50 28.99 1wgq s PRO 106 CO 0.25 -2.91 1.61 -1.13 0.04 0.00 0.00 177.00 174.85 1wgq n SER 107 N 11.34 1.67 -4.45 6.66 3.41 -1.26 -4.93 113.62 126.06 1wgq n SER 107 Ca 0.41 1.13 -0.23 0.00 -0.26 0.00 0.00 58.87 59.92 1wgq n SER 107 Cb 0.48 -1.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.31 1wgq n SER 107 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wgq s SER 108 N 2.84 3.42 0.00 4.04 1.04 -1.26 -4.97 113.70 118.81 1wgq s SER 108 Ca 1.00 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1wgq s SER 108 Cb -1.26 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 64.59 1wgq s SER 108 CO 0.70 0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.55