#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 1.35 -0.26 1.61 1.04 -1.26 -5.13 113.70 111.06 1wgq s SER 2 Ca 0.00 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 55.84 1wgq s SER 2 Cb 0.00 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1wgq s SER 2 CO 0.00 -0.10 -0.01 -0.55 0.98 0.00 0.00 173.24 173.56 1wgq s SER 3 N -1.55 4.57 0.00 7.02 0.15 -1.26 -5.05 113.70 117.58 1wgq s SER 3 Ca -0.04 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.88 1wgq s SER 3 Cb -0.09 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1wgq s SER 3 CO 0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1wgq n GLY 4 N 4.75 2.00 3.48 9.45 0.00 -1.26 -5.16 105.19 118.46 1wgq n GLY 4 Ca -0.16 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.01 1wgq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgq s SER 5 N 0.00 -1.08 0.10 1.61 1.04 -1.26 -5.06 113.70 109.06 1wgq s SER 5 Ca 0.00 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1wgq s SER 5 Cb 0.00 2.13 0.00 0.00 0.10 0.00 0.00 66.02 68.25 1wgq s SER 5 CO 0.00 -0.20 0.00 -1.20 0.98 0.00 0.00 173.24 172.82 1wgq n SER 6 N 5.37 0.66 0.00 7.02 7.64 -1.26 -5.12 113.62 127.92 1wgq n SER 6 Ca -0.09 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1wgq n SER 6 Cb 0.50 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1wgq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgq n GLY 7 N 3.06 4.88 3.62 0.23 0.00 -1.26 -5.17 105.19 110.56 1wgq n GLY 7 Ca 0.00 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 1wgq n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgq s SER 8 N 0.83 3.94 0.35 1.61 1.04 -1.26 -5.01 113.70 115.20 1wgq s SER 8 Ca 0.00 -1.30 0.15 0.00 0.48 0.00 0.00 55.95 55.28 1wgq s SER 8 Cb 0.00 -0.41 1.16 0.00 0.10 0.00 0.00 66.02 66.88 1wgq s SER 8 CO 0.00 -0.42 1.60 0.74 0.98 0.00 0.00 173.24 176.13 1wgq h THR 9 N 1.76 0.07 -2.32 2.02 2.02 -2.02 -3.43 112.91 111.02 1wgq h THR 9 Ca -0.44 -0.02 0.17 0.00 0.77 0.00 0.00 66.41 66.89 1wgq h THR 9 Cb 1.24 -0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.55 1wgq h THR 9 CO 0.78 0.01 0.49 -0.04 0.37 0.00 0.00 175.52 177.13 1wgq s MET 10 N -5.65 1.11 -0.30 6.66 1.00 -1.26 -4.99 119.30 115.87 1wgq s MET 10 Ca -0.10 -0.58 -0.17 0.00 0.00 0.00 0.00 55.69 54.84 1wgq s MET 10 Cb 0.32 0.40 0.21 0.00 0.00 0.00 0.00 34.83 35.76 1wgq s MET 10 CO 0.78 -0.50 1.30 -1.54 0.00 0.00 0.00 175.02 175.06 1wgq s SER 11 N -2.85 -0.02 0.00 3.03 1.04 -1.26 -3.42 113.70 110.22 1wgq s SER 11 Ca 0.11 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1wgq s SER 11 Cb -0.01 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.12 1wgq s SER 11 CO -0.00 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1wgq n GLY 12 N 3.60 -0.64 3.79 7.32 0.00 -1.15 -5.06 105.19 113.05 1wgq n GLY 12 Ca -0.13 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 1wgq n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgq s TYR 13 N -2.00 3.78 0.05 1.61 2.02 -1.26 -2.45 117.35 119.09 1wgq s TYR 13 Ca 0.00 1.28 0.02 0.00 -0.37 0.00 0.00 57.07 58.00 1wgq s TYR 13 Cb 0.00 -2.56 -0.03 0.00 -0.40 0.00 0.00 41.96 38.97 1wgq s TYR 13 CO 0.00 0.50 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.90 1wgq s LEU 14 N -0.81 2.29 -0.38 -1.29 1.43 -0.39 -4.74 118.68 114.79 1wgq s LEU 14 Ca 0.30 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 1wgq s LEU 14 Cb -0.19 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 45.93 1wgq s LEU 14 CO 0.19 -0.26 0.50 -0.31 0.23 0.00 0.00 176.35 176.70 1wgq s TYR 15 N -1.73 3.16 -0.25 0.29 2.02 -1.19 -1.78 117.35 117.86 1wgq s TYR 15 Ca -0.08 -0.03 -0.19 0.00 -0.37 0.00 0.00 57.07 56.40 1wgq s TYR 15 Cb -0.08 -2.97 -0.02 0.00 -0.40 0.00 0.00 41.96 38.49 1wgq s TYR 15 CO -0.01 -0.63 0.55 0.50 -1.57 0.00 0.00 175.55 174.39 1wgq s ARG 16 N 2.36 4.09 0.15 -0.62 3.52 -0.16 -2.75 118.95 125.54 1wgq s ARG 16 Ca 0.17 0.40 0.07 0.00 -0.13 0.00 0.00 55.73 56.24 1wgq s ARG 16 Cb -0.16 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1wgq s ARG 16 CO 0.14 -0.36 -0.16 -1.12 -0.81 0.00 0.00 175.30 173.00 1wgq s SER 17 N 1.49 2.38 -0.12 -2.12 0.01 0.17 -2.26 113.70 113.26 1wgq s SER 17 Ca 0.23 -0.87 0.17 0.00 1.31 0.00 0.00 55.95 56.79 1wgq s SER 17 Cb -0.16 -0.12 0.70 0.00 0.21 0.00 0.00 66.02 66.66 1wgq s SER 17 CO 0.09 -0.10 1.60 0.29 0.41 0.00 0.00 173.24 175.53 1wgq n LYS 18 N 0.28 3.72 -0.94 12.44 4.76 -1.26 -0.25 118.16 136.91 1wgq n LYS 18 Ca -0.13 -2.77 0.00 0.00 -2.87 0.00 0.00 58.31 52.54 1wgq n LYS 18 Cb 0.58 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 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 1.07 -0.50 0.10 0.72 0.00 -1.26 -4.97 105.19 100.36 1wgq n GLY 19 Ca 0.25 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 1.90 -1.96 1.61 7.64 -1.26 -4.41 113.62 117.15 1wgq n SER 20 Ca 0.00 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.18 1wgq n SER 20 Cb 0.00 -0.83 -0.11 0.00 -1.01 0.00 0.00 64.21 62.26 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 -4.43 1.84 -4.23 1.43 5.02 -1.26 -4.82 118.16 111.71 1wgq n LYS 21 Ca -0.26 -0.99 -0.17 0.00 -2.02 0.00 0.00 58.31 54.87 1wgq n LYS 21 Cb 0.59 -1.80 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.32 1.00 0.00 1.97 -0.14 -1.26 -5.10 119.74 116.53 1wgq s LYS 22 Ca 0.51 -1.26 -0.30 0.00 -1.36 0.00 0.00 55.97 53.56 1wgq s LYS 22 Cb 0.26 -0.78 -0.04 0.00 -1.68 0.00 0.00 37.83 35.58 1wgq s LYS 22 CO -0.03 0.14 1.19 -1.25 -0.76 0.00 0.00 175.35 174.64 1wgq s PRO 23 N -2.88 4.40 0.64 -1.68 0.04 -1.26 -4.91 135.00 129.35 1wgq s PRO 23 Ca 0.10 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1wgq s PRO 23 Cb -0.03 -3.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.04 1wgq s PRO 23 CO 0.02 -0.34 1.10 -1.58 0.04 0.00 0.00 177.00 176.24 1wgq s TRP 24 N 1.64 2.71 -0.16 0.56 0.52 -1.26 -4.70 118.94 118.24 1wgq s TRP 24 Ca 0.57 1.54 -0.02 0.00 0.02 0.00 0.00 56.10 58.21 1wgq s TRP 24 Cb -0.27 -3.14 0.05 0.00 -1.15 0.00 0.00 33.47 28.97 1wgq s TRP 24 CO 0.26 -1.54 0.02 0.15 0.02 0.00 0.00 176.95 175.85 1wgq s LYS 25 N -4.05 0.75 -0.33 4.98 1.02 -0.96 -4.92 119.74 116.23 1wgq s LYS 25 Ca 0.66 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 56.04 1wgq s LYS 25 Cb -0.20 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1wgq s LYS 25 CO 0.40 -0.54 1.34 -1.58 -0.92 0.00 0.00 175.35 174.04 1wgq s HIS 26 N 1.85 2.59 0.21 3.18 2.46 -1.26 -0.99 115.29 123.33 1wgq s HIS 26 Ca 0.00 0.80 0.02 0.00 0.47 0.00 0.00 55.06 56.35 1wgq s HIS 26 Cb -0.16 -4.03 -0.05 0.00 -0.13 0.00 0.00 32.58 28.22 1wgq s HIS 26 CO -0.07 -1.82 0.04 -0.51 -2.47 0.00 0.00 174.74 169.91 1wgq s LEU 27 N 4.68 1.90 -0.09 8.88 1.43 -0.73 -4.98 118.68 129.76 1wgq s LEU 27 Ca 0.58 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.38 1wgq s LEU 27 Cb -0.16 -0.03 -0.04 0.00 0.03 0.00 0.00 46.19 46.00 1wgq s LEU 27 CO 0.26 -0.64 0.05 0.86 0.23 0.00 0.00 176.35 177.11 1wgq s TRP 28 N -3.69 3.31 0.04 0.29 -0.11 -1.09 -1.26 118.94 116.43 1wgq s TRP 28 Ca 0.30 0.30 0.01 0.00 1.22 0.00 0.00 56.10 57.93 1wgq s TRP 28 Cb 0.07 -1.83 -0.03 0.00 -1.50 0.00 0.00 33.47 30.18 1wgq s TRP 28 CO 0.08 0.56 -0.05 -0.06 -4.62 0.00 0.00 176.95 172.86 1wgq s PHE 29 N -0.95 0.52 -0.13 5.86 0.08 -1.03 -0.79 117.98 121.55 1wgq s PHE 29 Ca 0.14 -0.60 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 1wgq s PHE 29 Cb -0.12 -0.33 0.06 0.00 -0.57 0.00 0.00 43.02 42.06 1wgq s PHE 29 CO 0.03 -0.16 0.28 0.08 -0.10 0.00 0.00 175.22 175.36 1wgq s VAL 30 N -1.86 -0.23 -0.43 -0.44 1.01 -1.11 -2.93 120.40 114.40 1wgq s VAL 30 Ca -0.09 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1wgq s VAL 30 Cb -0.07 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1wgq s VAL 30 CO -0.02 0.08 0.56 -0.63 0.00 0.00 0.00 175.10 175.09 1wgq s ILE 31 N 1.85 4.94 -0.01 2.22 1.01 -1.22 -1.33 121.20 128.65 1wgq s ILE 31 Ca -0.04 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.54 1wgq s ILE 31 Cb -0.11 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1wgq s ILE 31 CO -0.09 -0.53 -0.07 -0.75 0.00 0.00 0.00 174.94 173.51 1wgq s LYS 32 N 2.53 0.63 -1.78 2.79 2.20 -0.21 -3.87 119.74 122.03 1wgq s LYS 32 Ca 0.18 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1wgq s LYS 32 Cb -0.15 -0.62 0.00 0.00 -1.51 0.00 0.00 37.83 35.55 1wgq s LYS 32 CO 0.17 0.10 0.00 -1.71 -0.36 0.00 0.00 175.35 173.55 1wgq n ASN 33 N 3.15 -5.08 -0.81 1.43 2.85 -1.26 0.75 115.26 116.29 1wgq n ASN 33 Ca -0.16 0.26 -0.08 0.00 -0.11 0.00 0.00 54.58 54.49 1wgq n ASN 33 Cb 0.56 -4.40 -0.02 0.00 1.24 0.00 0.00 39.78 37.16 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 -2.56 -0.63 -5.09 1.20 5.02 -1.26 -4.99 118.16 109.84 1wgq n LYS 34 Ca -0.20 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.36 1wgq n LYS 34 Cb 0.63 -4.51 -0.16 0.00 -0.02 0.00 0.00 35.03 30.97 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 -2.37 2.43 -0.83 -0.18 1.01 0.23 -2.31 120.40 118.38 1wgq s VAL 35 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 1wgq s VAL 35 Cb 0.00 -1.94 0.12 0.00 0.00 0.00 0.00 36.38 34.56 1wgq s VAL 35 CO 0.00 0.56 1.04 -0.22 0.00 0.00 0.00 175.10 176.48 1wgq s LEU 36 N -0.01 4.98 0.47 3.92 1.98 0.71 -1.04 118.68 129.69 1wgq s LEU 36 Ca -0.07 -1.75 -0.19 0.00 -2.89 0.00 0.00 54.13 49.23 1wgq s LEU 36 Cb -0.15 -2.39 -0.10 0.00 0.66 0.00 0.00 46.19 44.22 1wgq s LEU 36 CO 0.05 -1.15 0.97 -0.31 -1.89 0.00 0.00 176.35 174.03 1wgq s TYR 37 N 2.94 3.30 0.24 5.38 2.02 -0.44 -3.10 117.35 127.70 1wgq s TYR 37 Ca 0.28 1.56 0.07 0.00 -0.37 0.00 0.00 57.07 58.61 1wgq s TYR 37 Cb -0.10 -2.86 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1wgq s TYR 37 CO -0.03 -0.30 0.17 0.99 -1.57 0.00 0.00 175.55 174.80 1wgq s THR 38 N -2.30 4.33 0.25 -0.71 2.01 0.16 -2.74 115.64 116.64 1wgq s THR 38 Ca 0.62 -1.42 -0.22 0.00 0.31 0.00 0.00 61.69 60.98 1wgq s THR 38 Cb -0.10 -3.32 0.03 0.00 0.01 0.00 0.00 72.50 69.11 1wgq s THR 38 CO 0.20 -0.32 0.75 -0.31 -0.69 0.00 0.00 174.62 174.25 1wgq s TYR 39 N -2.10 -0.21 -0.08 4.92 2.02 0.03 -1.07 117.35 120.86 1wgq s TYR 39 Ca 0.32 -0.21 0.08 0.00 -0.37 0.00 0.00 57.07 56.89 1wgq s TYR 39 Cb -0.08 0.69 -0.12 0.00 -0.40 0.00 0.00 41.96 42.05 1wgq s TYR 39 CO 0.24 -1.15 0.06 0.00 -1.57 0.00 0.00 175.55 173.13 1wgq n ALA 40 N -0.45 1.86 -3.80 3.71 0.00 -1.26 -2.65 120.51 117.91 1wgq n ALA 40 Ca -0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.80 1wgq n ALA 40 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1wgq n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgq s ALA 41 N -2.29 -1.60 -1.92 0.00 0.00 -1.26 -4.52 121.76 110.17 1wgq s ALA 41 Ca -0.04 -0.08 0.29 0.00 0.00 0.00 0.00 51.96 52.13 1wgq s ALA 41 Cb 0.03 0.68 1.33 0.00 0.00 0.00 0.00 23.12 25.16 1wgq s ALA 41 CO 0.38 -1.05 1.91 0.45 0.00 0.00 0.00 175.76 177.45 1wgq n SER 42 N -0.80 0.61 -0.07 0.00 2.88 -1.26 -3.06 113.62 111.92 1wgq n SER 42 Ca -0.05 -0.89 0.11 0.00 -1.33 0.00 0.00 58.87 56.71 1wgq n SER 42 Cb 0.60 -0.03 0.01 0.00 -0.75 0.00 0.00 64.21 64.04 1wgq n SER 42 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1wgq n GLU 43 N -0.70 0.18 -0.56 -1.46 0.28 -1.26 -4.96 120.64 112.16 1wgq n GLU 43 Ca 0.18 -0.14 -0.30 0.00 -0.16 0.00 0.00 57.16 56.74 1wgq n GLU 43 Cb 0.26 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 31.85 1wgq n GLU 43 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1wgq n ASP 44 N -1.29 -1.79 -0.01 -1.84 2.03 -1.17 -4.95 116.55 107.54 1wgq n ASP 44 Ca 0.05 -0.08 0.09 0.00 0.52 0.00 0.00 54.79 55.37 1wgq n ASP 44 Cb 0.35 -1.19 -0.13 0.00 -0.72 0.00 0.00 41.12 39.43 1wgq n ASP 44 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1wgq n VAL 45 N -4.71 0.00 -3.82 5.18 0.24 -1.26 -5.03 118.33 108.92 1wgq n VAL 45 Ca 0.03 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 1wgq n VAL 45 Cb 0.56 0.27 0.01 0.00 -1.47 0.00 0.00 33.84 33.21 1wgq n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgq s ALA 46 N -3.10 -0.88 0.30 2.33 0.00 -1.26 -5.16 121.76 113.99 1wgq s ALA 46 Ca -0.04 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.08 1wgq s ALA 46 Cb 0.11 0.72 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 1wgq s ALA 46 CO 0.72 -1.00 0.84 0.00 0.00 0.00 0.00 175.76 176.32 1wgq s ALA 47 N -2.75 3.27 0.25 0.00 0.00 -1.26 -4.81 121.76 116.47 1wgq s ALA 47 Ca 0.14 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1wgq s ALA 47 Cb -0.05 -3.00 0.30 0.00 0.00 0.00 0.00 23.12 20.36 1wgq s ALA 47 CO 0.10 0.24 1.60 -0.07 0.00 0.00 0.00 175.76 177.63 1wgq h LEU 48 N 2.98 0.30 -8.05 0.00 3.38 -1.43 -3.47 115.31 109.03 1wgq h LEU 48 Ca -0.48 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.28 1wgq h LEU 48 Cb 1.19 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 1wgq h LEU 48 CO 0.65 0.78 -0.13 -1.61 0.09 0.00 0.00 178.44 178.22 1wgq s GLU 49 N -3.90 1.40 -0.06 1.13 0.41 -1.25 -4.99 118.70 111.45 1wgq s GLU 49 Ca -0.04 -1.13 -0.02 0.00 -0.41 0.00 0.00 54.97 53.36 1wgq s GLU 49 Cb 0.12 0.46 0.04 0.00 -1.78 0.00 0.00 34.13 32.97 1wgq s GLU 49 CO 0.79 -0.57 0.11 -1.54 -0.49 0.00 0.00 175.26 173.56 1wgq s SER 50 N -2.97 0.56 -0.10 -0.19 1.04 -1.26 -0.67 113.70 110.11 1wgq s SER 50 Ca 0.18 0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 1wgq s SER 50 Cb 0.00 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1wgq s SER 50 CO 0.04 -0.21 0.23 -1.10 0.98 0.00 0.00 173.24 173.18 1wgq s GLN 51 N 1.82 0.16 0.56 4.02 -1.52 -1.18 -5.03 119.66 118.49 1wgq s GLN 51 Ca -0.01 0.57 -0.17 0.00 -1.95 0.00 0.00 55.36 53.80 1wgq s GLN 51 Cb -0.12 -0.12 -0.05 0.00 -0.22 0.00 0.00 33.01 32.50 1wgq s GLN 51 CO -0.05 -0.21 1.05 -1.25 -0.25 0.00 0.00 175.29 174.58 1wgq s PRO 52 N 1.65 3.50 -0.53 2.91 0.04 -1.26 -0.20 135.00 141.10 1wgq s PRO 52 Ca -0.05 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 1wgq s PRO 52 Cb -0.11 -2.06 0.39 0.00 0.04 0.00 0.00 34.50 32.76 1wgq s PRO 52 CO -0.08 -0.66 2.00 1.28 0.04 0.00 0.00 177.00 179.58 1wgq n LEU 53 N -1.72 7.14 -4.59 -3.56 4.77 -0.98 -4.77 117.00 113.30 1wgq n LEU 53 Ca 0.09 -3.86 -0.40 0.00 -0.03 0.00 0.00 56.01 51.80 1wgq n LEU 53 Cb 0.53 -0.98 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 1wgq n LEU 53 CO 0.45 1.33 0.15 -0.22 -1.33 0.00 0.00 177.39 177.77 1wgq s LEU 54 N -3.09 4.18 0.00 2.23 1.98 -1.26 -3.25 118.68 119.47 1wgq s LEU 54 Ca 0.53 0.18 0.00 0.00 -2.89 0.00 0.00 54.13 51.94 1wgq s LEU 54 Cb 0.42 -2.51 0.00 0.00 0.66 0.00 0.00 46.19 44.76 1wgq s LEU 54 CO 0.00 -0.31 0.00 0.61 -1.89 0.00 0.00 176.35 174.76 1wgq n GLY 55 N 4.69 1.31 3.94 7.98 0.00 -1.26 -5.05 105.19 116.80 1wgq n GLY 55 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1wgq n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wgq s PHE 56 N -2.32 1.57 0.24 1.61 0.08 -1.25 -3.12 117.98 114.81 1wgq s PHE 56 Ca 0.00 0.23 -0.15 0.00 0.12 0.00 0.00 56.93 57.13 1wgq s PHE 56 Cb 0.00 -3.98 0.00 0.00 -0.57 0.00 0.00 43.02 38.48 1wgq s PHE 56 CO 0.00 -2.54 0.53 0.99 -0.10 0.00 0.00 175.22 174.10 1wgq s THR 57 N -3.79 0.01 0.01 0.64 2.01 0.44 -4.72 115.64 110.23 1wgq s THR 57 Ca 0.73 -1.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 1wgq s THR 57 Cb -0.04 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.41 1wgq s THR 57 CO 0.52 -0.03 0.14 -0.69 -0.69 0.00 0.00 174.62 173.87 1wgq s VAL 58 N -3.98 0.09 -0.27 3.82 1.01 -1.26 0.47 120.40 120.29 1wgq s VAL 58 Ca 0.18 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 1wgq s VAL 58 Cb -0.02 -0.55 0.08 0.00 0.00 0.00 0.00 36.38 35.90 1wgq s VAL 58 CO 0.07 -0.42 0.81 0.28 0.00 0.00 0.00 175.10 175.83 1wgq s THR 59 N -1.69 0.00 0.31 3.92 -1.32 -1.13 -4.93 115.64 110.80 1wgq s THR 59 Ca -0.12 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.07 1wgq s THR 59 Cb -0.06 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.84 1wgq s THR 59 CO 0.00 0.00 1.14 -0.22 -2.21 0.00 0.00 174.62 173.33 1wgq s LEU 60 N 0.28 4.45 -0.10 9.08 1.98 -1.26 -2.11 118.68 131.01 1wgq s LEU 60 Ca 0.01 2.34 0.02 0.00 -2.89 0.00 0.00 54.13 53.61 1wgq s LEU 60 Cb -0.05 -3.73 0.01 0.00 0.66 0.00 0.00 46.19 43.08 1wgq s LEU 60 CO -0.01 -0.31 -0.17 0.54 -1.89 0.00 0.00 176.35 174.51 1wgq s VAL 61 N -1.23 1.59 -0.66 1.68 0.11 -1.19 -4.93 120.40 115.77 1wgq s VAL 61 Ca 0.48 -0.72 0.10 0.00 -2.93 0.00 0.00 61.98 58.91 1wgq s VAL 61 Cb -0.32 -1.42 -0.07 0.00 -1.53 0.00 0.00 36.38 33.04 1wgq s VAL 61 CO 0.42 0.46 0.51 2.29 -3.33 0.00 0.00 175.10 175.45 1wgq n LYS 62 N 3.91 3.08 -0.10 1.54 0.00 -1.25 -4.32 118.16 121.01 1wgq n LYS 62 Ca -0.20 -0.23 0.08 0.00 -0.00 0.00 0.00 58.31 57.95 1wgq n LYS 62 Cb 0.52 -1.02 0.28 0.00 -0.00 0.00 0.00 35.03 34.81 1wgq n LYS 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wgq n ASP 63 N -0.86 1.47 -0.06 -5.58 2.03 -1.26 -4.07 116.55 108.22 1wgq n ASP 63 Ca 0.03 -1.81 -0.03 0.00 0.52 0.00 0.00 54.79 53.49 1wgq n ASP 63 Cb 0.18 -0.14 -0.01 0.00 -0.72 0.00 0.00 41.12 40.43 1wgq n ASP 63 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1wgq h GLU 64 N 1.78 0.00 0.00 -0.67 4.81 -1.95 -3.50 114.58 115.05 1wgq h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wgq h GLU 64 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1wgq h GLU 64 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 176.57 1wgq n ASN 65 N -4.22 -0.82 -4.66 1.04 2.85 -1.26 -5.00 115.26 103.19 1wgq n ASN 65 Ca -0.05 0.47 -0.39 0.00 -0.11 0.00 0.00 54.58 54.50 1wgq n ASN 65 Cb 0.20 1.08 -0.07 0.00 1.24 0.00 0.00 39.78 42.22 1wgq n ASN 65 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1wgq s SER 66 N -2.00 6.45 0.00 1.20 0.15 -1.26 -5.03 113.70 113.21 1wgq s SER 66 Ca 0.00 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1wgq s SER 66 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1wgq s SER 66 CO 0.00 -0.12 0.00 -0.62 1.20 0.00 0.00 173.24 173.70 1wgq n GLU 67 N 4.69 0.00 -3.67 5.44 1.02 -1.26 -4.11 120.64 122.75 1wgq n GLU 67 Ca -0.07 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.69 1wgq n GLU 67 Cb 0.51 -0.40 -0.09 0.00 -0.02 0.00 0.00 31.44 31.45 1wgq n GLU 67 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wgq s SER 68 N -2.96 5.45 0.00 1.62 0.01 -1.26 -3.97 113.70 112.59 1wgq s SER 68 Ca 0.00 -2.74 0.00 0.00 1.31 0.00 0.00 55.95 54.52 1wgq s SER 68 Cb 0.00 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.33 1wgq s SER 68 CO 0.00 -0.42 0.00 1.17 0.41 0.00 0.00 173.24 174.40 1wgq n LYS 69 N 3.69 0.00 -4.25 12.44 4.81 -1.26 -4.50 118.16 129.09 1wgq n LYS 69 Ca 0.07 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.17 1wgq n LYS 69 Cb 0.39 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.33 1wgq n LYS 69 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wgq s VAL 70 N -1.39 4.22 0.51 3.15 0.11 -1.26 -2.54 120.40 123.20 1wgq s VAL 70 Ca 0.00 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1wgq s VAL 70 Cb 0.00 -2.87 -0.01 0.00 -1.53 0.00 0.00 36.38 31.96 1wgq s VAL 70 CO 0.00 0.48 0.02 0.72 -3.33 0.00 0.00 175.10 172.99 1wgq s PHE 71 N 0.37 1.88 0.05 1.54 -0.71 0.77 -3.16 117.98 118.73 1wgq s PHE 71 Ca -0.01 -0.94 0.07 0.00 -1.04 0.00 0.00 56.93 55.01 1wgq s PHE 71 Cb -0.13 -1.64 -0.03 0.00 -1.21 0.00 0.00 43.02 40.01 1wgq s PHE 71 CO 0.02 0.20 -0.20 -0.65 -1.34 0.00 0.00 175.22 173.25 1wgq s GLN 72 N -3.89 1.30 -0.61 1.99 -0.21 -0.89 -0.75 119.66 116.59 1wgq s GLN 72 Ca 0.08 -0.95 -0.17 0.00 0.02 0.00 0.00 55.36 54.35 1wgq s GLN 72 Cb 0.02 -1.42 0.13 0.00 1.00 0.00 0.00 33.01 32.73 1wgq s GLN 72 CO 0.05 0.36 0.65 -1.17 -2.12 0.00 0.00 175.29 173.06 1wgq s LEU 73 N -1.26 5.83 0.33 2.90 2.96 0.15 -2.85 118.68 126.74 1wgq s LEU 73 Ca 0.07 -1.73 -0.23 0.00 -0.22 0.00 0.00 54.13 52.01 1wgq s LEU 73 Cb -0.09 -2.26 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 1wgq s LEU 73 CO 0.02 -0.96 0.90 -0.76 -1.32 0.00 0.00 176.35 174.23 1wgq s LEU 74 N 2.01 4.22 -0.32 -0.68 1.43 0.18 0.17 118.68 125.68 1wgq s LEU 74 Ca 0.10 1.69 -0.02 0.00 -1.03 0.00 0.00 54.13 54.88 1wgq s LEU 74 Cb -0.24 -4.09 0.11 0.00 0.03 0.00 0.00 46.19 42.01 1wgq s LEU 74 CO 0.03 -0.14 0.15 -2.28 0.23 0.00 0.00 176.35 174.34 1wgq s HIS 75 N -1.77 0.94 0.00 0.29 2.46 0.49 0.17 115.29 117.86 1wgq s HIS 75 Ca 0.52 -1.41 0.00 0.00 0.47 0.00 0.00 55.06 54.64 1wgq s HIS 75 Cb -0.15 -1.22 0.00 0.00 -0.13 0.00 0.00 32.58 31.08 1wgq s HIS 75 CO 0.20 -0.84 0.00 1.63 -2.47 0.00 0.00 174.74 173.26 1wgq n LYS 76 N 4.73 0.00 0.00 2.88 5.02 -1.18 -2.93 118.16 126.68 1wgq n LYS 76 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wgq n LYS 76 Cb 0.40 -2.65 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 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 -2.62 2.15 3.83 0.72 0.00 -1.26 -5.09 105.19 102.92 1wgq n GLY 77 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.17 3.65 0.07 1.61 -1.94 -1.15 -5.00 119.30 116.37 1wgq s MET 78 Ca 0.00 -0.16 -0.31 0.00 -1.71 0.00 0.00 55.69 53.51 1wgq s MET 78 Cb 0.00 -3.25 -0.08 0.00 2.01 0.00 0.00 34.83 33.51 1wgq s MET 78 CO 0.00 0.64 1.65 0.08 -0.01 0.00 0.00 175.02 177.38 1wgq s VAL 79 N -0.63 3.05 -0.17 -6.03 1.01 -1.26 0.18 120.40 116.55 1wgq s VAL 79 Ca 0.13 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.62 1wgq s VAL 79 Cb -0.12 -3.32 -0.22 0.00 0.00 0.00 0.00 36.38 32.72 1wgq s VAL 79 CO 0.02 -0.00 0.15 0.33 0.00 0.00 0.00 175.10 175.60 1wgq n PHE 80 N 5.59 0.64 -3.72 5.22 7.35 0.46 -4.85 117.46 128.15 1wgq n PHE 80 Ca 0.16 0.15 -0.05 0.00 -0.76 0.00 0.00 57.45 56.95 1wgq n PHE 80 Cb 0.41 -1.09 -0.02 0.00 0.35 0.00 0.00 39.48 39.13 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 -2.54 -0.20 -0.14 -5.13 2.02 -1.14 -4.96 117.35 105.25 1wgq s TYR 81 Ca -0.23 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1wgq s TYR 81 Cb 0.08 0.63 -0.01 0.00 -0.40 0.00 0.00 41.96 42.26 1wgq s TYR 81 CO 0.72 -0.87 -0.14 0.08 -1.57 0.00 0.00 175.55 173.77 1wgq s VAL 82 N -3.42 2.83 -0.10 0.71 1.01 0.65 0.30 120.40 122.39 1wgq s VAL 82 Ca 0.10 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1wgq s VAL 82 Cb -0.02 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1wgq s VAL 82 CO 0.00 0.52 -0.24 -0.36 0.00 0.00 0.00 175.10 175.02 1wgq s PHE 83 N 0.57 2.54 -0.10 5.22 0.08 0.07 -0.65 117.98 125.71 1wgq s PHE 83 Ca -0.09 -1.01 0.02 0.00 0.12 0.00 0.00 56.93 55.96 1wgq s PHE 83 Cb -0.16 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1wgq s PHE 83 CO 0.03 -0.40 -0.16 0.21 -0.10 0.00 0.00 175.22 174.81 1wgq s LYS 84 N 0.29 3.09 0.29 0.44 2.20 -1.11 -0.16 119.74 124.78 1wgq s LYS 84 Ca -0.17 -0.73 -0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1wgq s LYS 84 Cb -0.18 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 1wgq s LYS 84 CO 0.08 0.31 0.49 0.00 -0.36 0.00 0.00 175.35 175.88 1wgq s ALA 85 N 0.07 3.74 0.09 3.13 0.00 -1.05 -3.17 121.76 124.57 1wgq s ALA 85 Ca -0.06 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 1wgq s ALA 85 Cb -0.15 -2.07 -0.15 0.00 0.00 0.00 0.00 23.12 20.75 1wgq s ALA 85 CO 0.05 0.16 1.66 0.22 0.00 0.00 0.00 175.76 177.84 1wgq h ASP 86 N 1.24 -0.59 -3.74 0.00 1.82 -1.89 -3.46 116.42 109.81 1wgq h ASP 86 Ca -0.49 0.04 -0.15 0.00 -0.39 0.00 0.00 57.03 56.04 1wgq h ASP 86 Cb 1.21 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 41.37 1wgq h ASP 86 CO 0.64 -0.38 -0.09 -0.67 -1.61 0.00 0.00 179.24 177.13 1wgq n ASP 87 N -5.37 1.92 -0.10 2.28 -0.08 -1.26 -5.08 116.55 108.87 1wgq n ASP 87 Ca -0.10 -1.49 -0.22 0.00 -1.51 0.00 0.00 54.79 51.46 1wgq n ASP 87 Cb 0.27 0.04 -0.12 0.00 2.34 0.00 0.00 41.12 43.66 1wgq n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wgq n ALA 88 N -2.67 0.81 -0.29 -1.67 0.00 -1.26 -3.54 120.51 111.89 1wgq n ALA 88 Ca -0.05 -0.52 0.28 0.00 0.00 0.00 0.00 53.44 53.14 1wgq n ALA 88 Cb 0.15 -0.54 0.63 0.00 0.00 0.00 0.00 19.45 19.69 1wgq n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgq h HIS 89 N -0.90 0.31 -0.07 0.00 3.86 -1.98 0.28 115.15 116.66 1wgq h HIS 89 Ca -0.37 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 58.82 1wgq h HIS 89 Cb 1.39 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.77 1wgq h HIS 89 CO 0.09 0.04 -0.06 0.77 0.86 0.00 0.00 177.93 179.63 1wgq h SER 90 N 0.19 0.17 -0.63 2.45 0.02 -1.98 -3.28 113.55 110.49 1wgq h SER 90 Ca 0.54 -0.47 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1wgq h SER 90 Cb 1.76 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 64.18 1wgq h SER 90 CO -0.14 0.60 -0.38 0.74 -1.14 0.00 0.00 176.83 176.51 1wgq h THR 91 N -0.27 0.00 -0.94 -2.27 2.02 -0.49 0.48 112.91 111.45 1wgq h THR 91 Ca 0.01 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.42 1wgq h THR 91 Cb 0.55 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.78 1wgq h THR 91 CO 0.01 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.80 1wgq n GLN 92 N -4.46 -0.08 0.23 6.66 1.13 -1.12 0.13 117.38 119.88 1wgq n GLN 92 Ca 0.01 1.44 -0.10 0.00 -1.94 0.00 0.00 57.00 56.41 1wgq n GLN 92 Cb 0.17 -2.22 -0.05 0.00 0.11 0.00 0.00 30.24 28.25 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 -0.62 -1.09 3.08 -0.17 0.31 114.38 115.28 1wgq h ARG 93 Ca 0.51 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.73 1wgq h ARG 93 Cb 0.94 0.14 -0.12 0.00 0.08 0.00 0.00 29.97 31.01 1wgq h ARG 93 CO -0.93 -0.40 -0.13 -1.49 -1.07 0.00 0.00 179.97 175.95 1wgq h TRP 94 N -0.63 -0.29 -0.02 3.04 4.06 0.55 1.44 115.95 124.11 1wgq h TRP 94 Ca -0.06 0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.96 1wgq h TRP 94 Cb 0.50 0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.86 1wgq h TRP 94 CO 0.02 -0.26 -0.18 0.82 -3.56 0.00 0.00 178.44 175.28 1wgq h ILE 95 N 0.02 0.00 -0.95 1.49 2.04 0.14 0.71 117.51 120.96 1wgq h ILE 95 Ca 0.30 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.32 1wgq h ILE 95 Cb 0.47 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.46 1wgq h ILE 95 CO -0.63 0.00 0.56 -0.78 0.00 0.00 0.00 178.15 177.30 1wgq h ASP 96 N -0.22 0.74 -0.95 1.72 3.58 0.66 0.88 116.42 122.83 1wgq h ASP 96 Ca 0.01 0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.63 1wgq h ASP 96 Cb 0.24 -0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.17 1wgq h ASP 96 CO -0.13 0.32 0.61 0.00 -2.88 0.00 0.00 179.24 177.16 1wgq h ALA 97 N 1.58 1.53 0.06 -0.78 0.00 0.34 1.19 119.26 123.18 1wgq h ALA 97 Ca 0.52 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.17 1wgq h ALA 97 Cb 0.70 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wgq h ALA 97 CO -0.34 0.29 -1.18 0.74 0.00 0.00 0.00 179.25 178.76 1wgq h PHE 98 N 1.01 0.21 0.32 0.00 0.04 0.48 -3.00 116.94 116.00 1wgq h PHE 98 Ca 0.43 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 61.03 1wgq h PHE 98 Cb 0.33 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1wgq h PHE 98 CO -0.00 1.13 -0.15 1.96 -0.60 0.00 0.00 178.31 180.65 1wgq h GLN 99 N 0.03 -0.41 -0.11 1.51 1.08 0.18 -2.68 115.11 114.71 1wgq h GLN 99 Ca -0.09 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1wgq h GLN 99 Cb 1.88 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 29.40 1wgq h GLN 99 CO 0.15 -0.13 0.22 0.93 -0.95 0.00 0.00 178.83 179.05 1wgq h GLU 100 N -1.02 0.00 0.16 1.46 5.08 0.12 -0.91 114.58 119.47 1wgq h GLU 100 Ca -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1wgq h GLU 100 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1wgq h GLU 100 CO 0.07 0.00 -0.07 0.78 -1.00 0.00 0.00 179.01 178.79 1wgq h GLY 101 N 0.00 -0.22 1.01 -3.84 0.00 -1.45 -3.28 103.07 95.30 1wgq h GLY 101 Ca 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1wgq h GLY 101 CO -0.00 -0.08 0.41 -0.91 0.00 0.00 0.00 176.54 175.96 1wgq h THR 102 N -0.76 1.23 -1.61 4.70 1.35 -0.93 -3.44 112.91 113.45 1wgq h THR 102 Ca -0.02 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1wgq h THR 102 Cb 0.52 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1wgq h THR 102 CO 0.04 0.26 0.00 1.33 -0.25 0.00 0.00 175.52 176.89 1wgq n VAL 103 N -4.44 0.00 -1.14 6.82 0.24 -0.45 -4.59 118.33 114.77 1wgq n VAL 103 Ca 0.07 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.40 1wgq n VAL 103 Cb 0.10 -1.82 0.05 0.00 -1.47 0.00 0.00 33.84 30.70 1wgq n VAL 103 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1wgq n SER 104 N -0.76 1.18 0.00 -1.34 2.88 -1.26 -4.89 113.62 109.42 1wgq n SER 104 Ca 0.00 -2.21 0.00 0.00 -1.33 0.00 0.00 58.87 55.33 1wgq n SER 104 Cb 0.00 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1wgq n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgq n GLY 105 N -0.58 -2.42 3.55 0.46 0.00 -1.26 -4.62 105.19 100.31 1wgq n GLY 105 Ca 0.05 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 1wgq n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgq n PRO 106 N -1.83 2.40 -3.51 1.61 -0.04 -1.26 -4.77 135.00 127.60 1wgq n PRO 106 Ca 0.00 -2.85 0.01 0.00 -0.04 0.00 0.00 63.50 60.61 1wgq n PRO 106 Cb 0.00 -3.59 -0.05 0.00 -0.04 0.00 0.00 33.50 29.82 1wgq n PRO 106 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wgq s SER 107 N 5.27 -0.37 -0.63 3.54 0.01 -1.26 -5.11 113.70 115.15 1wgq s SER 107 Ca 0.61 0.55 -0.22 0.00 1.31 0.00 0.00 55.95 58.19 1wgq s SER 107 Cb 0.02 1.27 0.07 0.00 0.21 0.00 0.00 66.02 67.59 1wgq s SER 107 CO 0.10 -0.08 0.92 -0.55 0.41 0.00 0.00 173.24 174.04 1wgq s SER 108 N 1.68 6.21 0.00 2.44 0.15 -1.26 -5.02 113.70 117.89 1wgq s SER 108 Ca -0.06 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1wgq s SER 108 Cb -0.04 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1wgq s SER 108 CO -0.15 -1.35 0.00 0.61 1.20 0.00 0.00 173.24 173.55