#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgq n SER 2 N 0.00 3.02 -4.39 1.61 2.88 -1.26 -4.92 113.62 110.56 1wgq n SER 2 Ca 0.00 1.13 -0.45 0.00 -1.33 0.00 0.00 58.87 58.23 1wgq n SER 2 Cb 0.00 -1.46 -0.05 0.00 -0.75 0.00 0.00 64.21 61.95 1wgq n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgq s SER 3 N 0.43 6.19 0.07 -3.46 0.15 -1.26 -4.87 113.70 110.95 1wgq s SER 3 Ca 0.69 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1wgq s SER 3 Cb -0.62 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 1wgq s SER 3 CO 0.47 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1wgq n GLY 4 N 5.24 0.97 5.00 9.45 0.00 -1.26 -4.97 105.19 119.63 1wgq n GLY 4 Ca -0.10 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1wgq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgq n SER 5 N 0.55 0.00 -4.98 1.61 2.88 -1.26 -4.80 113.62 107.62 1wgq n SER 5 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1wgq n SER 5 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wgq n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgq s SER 6 N 0.00 5.69 0.00 -3.46 0.01 -1.26 -5.08 113.70 109.60 1wgq s SER 6 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1wgq s SER 6 Cb 0.00 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.36 1wgq s SER 6 CO 0.00 -0.61 0.32 0.61 0.41 0.00 0.00 173.24 173.97 1wgq n GLY 7 N -1.72 -0.81 3.36 3.44 0.00 -1.26 -4.86 105.19 103.34 1wgq n GLY 7 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1wgq n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgq n SER 8 N -1.08 -2.15 0.08 1.61 7.64 -1.26 -4.96 113.62 113.50 1wgq n SER 8 Ca 0.00 0.11 -0.04 0.00 1.01 0.00 0.00 58.87 59.94 1wgq n SER 8 Cb 0.00 -1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 1wgq n SER 8 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1wgq h THR 9 N -1.85 0.00 -3.02 0.44 2.02 -1.89 -3.46 112.91 105.14 1wgq h THR 9 Ca -0.49 -0.69 -0.26 0.00 0.77 0.00 0.00 66.41 65.75 1wgq h THR 9 Cb 1.32 0.00 -0.34 0.00 -1.74 0.00 0.00 68.15 67.39 1wgq h THR 9 CO 0.37 0.00 -0.59 -0.32 0.37 0.00 0.00 175.52 175.35 1wgq s MET 10 N -2.49 0.09 -0.08 6.66 0.00 -1.26 -5.01 119.30 117.22 1wgq s MET 10 Ca -0.04 0.60 -0.16 0.00 0.00 0.00 0.00 55.69 56.09 1wgq s MET 10 Cb 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 34.83 34.70 1wgq s MET 10 CO 0.13 -0.27 0.39 -1.54 0.00 0.00 0.00 175.02 173.72 1wgq s SER 11 N 2.14 -0.34 0.00 1.11 1.04 -1.26 -1.08 113.70 115.32 1wgq s SER 11 Ca 0.00 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1wgq s SER 11 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1wgq s SER 11 CO -0.07 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1wgq n GLY 12 N 1.89 3.91 3.59 7.32 0.00 -1.21 -5.07 105.19 115.62 1wgq n GLY 12 Ca -0.18 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 1wgq n GLY 12 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wgq n TYR 13 N -0.71 1.29 -4.10 1.61 4.01 -1.26 -4.17 117.16 113.84 1wgq n TYR 13 Ca 0.00 0.69 -0.07 0.00 -0.16 0.00 0.00 57.90 58.36 1wgq n TYR 13 Cb 0.00 -2.26 -0.10 0.00 -0.31 0.00 0.00 39.34 36.67 1wgq n TYR 13 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wgq s LEU 14 N 0.50 2.45 -0.32 7.72 1.43 0.22 -4.89 118.68 125.78 1wgq s LEU 14 Ca 0.61 -1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1wgq s LEU 14 Cb -0.73 0.20 0.02 0.00 0.03 0.00 0.00 46.19 45.71 1wgq s LEU 14 CO 0.58 -0.60 0.12 -0.31 0.23 0.00 0.00 176.35 176.37 1wgq s TYR 15 N -3.92 3.20 -0.01 0.29 2.02 -1.20 -0.93 117.35 116.80 1wgq s TYR 15 Ca 0.08 -1.03 -0.16 0.00 -0.37 0.00 0.00 57.07 55.60 1wgq s TYR 15 Cb 0.08 -2.31 -0.06 0.00 -0.40 0.00 0.00 41.96 39.27 1wgq s TYR 15 CO -0.09 -0.61 0.43 0.50 -1.57 0.00 0.00 175.55 174.21 1wgq s ARG 16 N 1.50 4.01 0.20 -0.62 3.52 -1.00 -2.23 118.95 124.33 1wgq s ARG 16 Ca 0.02 0.45 -0.10 0.00 -0.13 0.00 0.00 55.73 55.96 1wgq s ARG 16 Cb -0.18 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1wgq s ARG 16 CO 0.04 0.61 0.35 0.45 -0.81 0.00 0.00 175.30 175.94 1wgq s SER 17 N -0.84 -0.02 -0.30 -2.12 0.15 -0.43 -2.62 113.70 107.53 1wgq s SER 17 Ca 0.24 -0.91 0.08 0.00 0.70 0.00 0.00 55.95 56.06 1wgq s SER 17 Cb -0.17 0.49 0.52 0.00 -1.71 0.00 0.00 66.02 65.15 1wgq s SER 17 CO 0.13 -0.98 1.49 0.29 1.20 0.00 0.00 173.24 175.37 1wgq n LYS 18 N -0.29 1.85 0.00 5.44 5.02 -1.26 -0.79 118.16 128.14 1wgq n LYS 18 Ca -0.05 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.05 1wgq n LYS 18 Cb 0.63 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1wgq n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wgq n GLY 19 N -1.13 0.97 0.10 0.72 0.00 -1.26 -4.93 105.19 99.66 1wgq n GLY 19 Ca 0.35 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 1wgq n GLY 19 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wgq h SER 20 N 0.00 0.21 -0.23 1.61 0.02 -2.01 -3.23 113.55 109.93 1wgq h SER 20 Ca 0.00 -0.71 -0.19 0.00 -0.84 0.00 0.00 61.79 60.04 1wgq h SER 20 Cb 0.00 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.40 1wgq h SER 20 CO 0.00 0.89 -0.02 0.29 -1.14 0.00 0.00 176.83 176.86 1wgq n LYS 21 N -4.55 1.70 -4.22 3.45 5.02 -1.26 -4.82 118.16 113.47 1wgq n LYS 21 Ca -0.09 -0.96 -0.16 0.00 -2.02 0.00 0.00 58.31 55.08 1wgq n LYS 21 Cb 0.46 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.18 0.98 0.11 1.97 -0.14 -1.22 -5.09 119.74 116.17 1wgq s LYS 22 Ca 0.38 -1.25 -0.30 0.00 -1.36 0.00 0.00 55.97 53.43 1wgq s LYS 22 Cb 0.21 -0.75 -0.06 0.00 -1.68 0.00 0.00 37.83 35.55 1wgq s LYS 22 CO -0.03 0.13 1.15 -1.25 -0.76 0.00 0.00 175.35 174.58 1wgq s PRO 23 N -2.89 4.51 0.60 -1.68 0.04 -1.26 -4.93 135.00 129.38 1wgq s PRO 23 Ca 0.09 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 1wgq s PRO 23 Cb -0.03 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1wgq s PRO 23 CO 0.02 -0.11 1.03 -1.58 0.04 0.00 0.00 177.00 176.40 1wgq s TRP 24 N 0.49 3.29 -0.13 0.56 0.52 -1.26 -4.68 118.94 117.72 1wgq s TRP 24 Ca 0.54 1.43 -0.03 0.00 0.02 0.00 0.00 56.10 58.06 1wgq s TRP 24 Cb -0.29 -2.86 0.05 0.00 -1.15 0.00 0.00 33.47 29.22 1wgq s TRP 24 CO 0.32 -0.83 0.06 0.15 0.02 0.00 0.00 176.95 176.66 1wgq s LYS 25 N -4.52 0.26 -0.55 4.98 1.02 -1.08 -4.96 119.74 114.90 1wgq s LYS 25 Ca 0.59 -0.04 -0.27 0.00 0.02 0.00 0.00 55.97 56.28 1wgq s LYS 25 Cb -0.13 -1.48 -0.02 0.00 -0.52 0.00 0.00 37.83 35.67 1wgq s LYS 25 CO 0.43 -0.53 1.90 -1.58 -0.92 0.00 0.00 175.35 174.64 1wgq s HIS 26 N 2.05 1.64 0.34 3.18 5.65 -1.26 -2.37 115.29 124.52 1wgq s HIS 26 Ca 0.02 0.83 0.06 0.00 0.25 0.00 0.00 55.06 56.23 1wgq s HIS 26 Cb -0.15 -4.05 -0.07 0.00 -1.18 0.00 0.00 32.58 27.13 1wgq s HIS 26 CO -0.07 -2.43 -0.01 -0.51 -0.65 0.00 0.00 174.74 171.07 1wgq s LEU 27 N 8.95 2.54 -0.04 8.88 1.43 -0.11 -4.98 118.68 135.36 1wgq s LEU 27 Ca 0.72 -1.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1wgq s LEU 27 Cb -0.15 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 1wgq s LEU 27 CO 0.24 -0.44 -0.05 0.86 0.23 0.00 0.00 176.35 177.19 1wgq s TRP 28 N -2.96 2.97 0.04 0.29 -0.11 -1.06 -0.61 118.94 117.50 1wgq s TRP 28 Ca 0.34 0.04 -0.01 0.00 1.22 0.00 0.00 56.10 57.68 1wgq s TRP 28 Cb 0.07 -1.69 -0.03 0.00 -1.50 0.00 0.00 33.47 30.32 1wgq s TRP 28 CO 0.15 0.38 -0.01 -0.06 -4.62 0.00 0.00 176.95 172.79 1wgq s PHE 29 N -0.91 0.38 0.03 5.86 0.40 -1.26 0.43 117.98 122.91 1wgq s PHE 29 Ca 0.15 -0.79 -0.12 0.00 -0.60 0.00 0.00 56.93 55.57 1wgq s PHE 29 Cb -0.11 -0.28 0.01 0.00 0.51 0.00 0.00 43.02 43.15 1wgq s PHE 29 CO 0.04 -0.31 0.26 0.08 0.70 0.00 0.00 175.22 175.99 1wgq s VAL 30 N -2.82 0.09 -0.24 -0.44 1.01 -0.85 -3.32 120.40 113.83 1wgq s VAL 30 Ca -0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1wgq s VAL 30 Cb -0.00 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.56 1wgq s VAL 30 CO -0.06 -0.40 -0.08 -0.63 0.00 0.00 0.00 175.10 173.94 1wgq s ILE 31 N -2.27 2.81 -0.05 2.22 1.01 -0.24 -1.11 121.20 123.57 1wgq s ILE 31 Ca -0.07 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.55 1wgq s ILE 31 Cb -0.02 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1wgq s ILE 31 CO -0.02 0.25 0.12 -0.75 0.00 0.00 0.00 174.94 174.54 1wgq s LYS 32 N 1.33 0.12 -1.35 2.79 2.20 -0.11 -4.10 119.74 120.61 1wgq s LYS 32 Ca 0.01 0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.80 1wgq s LYS 32 Cb -0.16 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 1wgq s LYS 32 CO -0.05 -0.04 0.07 -1.71 -0.36 0.00 0.00 175.35 173.26 1wgq n ASN 33 N 3.20 -4.73 -1.39 1.43 5.15 -1.26 0.12 115.26 117.78 1wgq n ASN 33 Ca -0.15 0.06 -0.15 0.00 -0.60 0.00 0.00 54.58 53.74 1wgq n ASN 33 Cb 0.58 -3.97 -0.05 0.00 -0.53 0.00 0.00 39.78 35.82 1wgq n ASN 33 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wgq n LYS 34 N -3.02 -1.13 -4.86 1.20 5.02 -1.26 -4.96 118.16 109.14 1wgq n LYS 34 Ca -0.17 0.94 -0.31 0.00 -2.02 0.00 0.00 58.31 56.75 1wgq n LYS 34 Cb 0.63 -5.17 -0.14 0.00 -0.02 0.00 0.00 35.03 30.34 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 -2.65 2.66 -0.53 -0.18 1.01 0.32 -2.17 120.40 118.88 1wgq s VAL 35 Ca 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 1wgq s VAL 35 Cb 0.00 -2.06 0.10 0.00 0.00 0.00 0.00 36.38 34.42 1wgq s VAL 35 CO 0.00 0.45 0.54 -0.22 0.00 0.00 0.00 175.10 175.87 1wgq s LEU 36 N -1.08 5.66 -0.02 3.92 1.98 0.27 -0.94 118.68 128.47 1wgq s LEU 36 Ca 0.13 -1.44 -0.19 0.00 -2.89 0.00 0.00 54.13 49.73 1wgq s LEU 36 Cb -0.10 -2.26 -0.05 0.00 0.66 0.00 0.00 46.19 44.43 1wgq s LEU 36 CO 0.03 -0.86 0.55 -0.31 -1.89 0.00 0.00 176.35 173.86 1wgq s TYR 37 N 2.02 3.67 0.25 5.38 2.02 -0.27 -1.30 117.35 129.12 1wgq s TYR 37 Ca 0.07 1.13 -0.06 0.00 -0.37 0.00 0.00 57.07 57.84 1wgq s TYR 37 Cb -0.25 -2.55 -0.06 0.00 -0.40 0.00 0.00 41.96 38.70 1wgq s TYR 37 CO 0.06 0.38 0.53 0.99 -1.57 0.00 0.00 175.55 175.93 1wgq s THR 38 N -0.25 5.01 0.25 -0.71 2.01 0.17 -2.00 115.64 120.13 1wgq s THR 38 Ca 0.29 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.44 1wgq s THR 38 Cb -0.18 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.67 1wgq s THR 38 CO 0.16 -0.18 0.41 -1.22 -0.69 0.00 0.00 174.62 173.09 1wgq n TYR 39 N -0.52 -1.41 -0.01 4.92 4.01 0.17 -0.57 117.16 123.75 1wgq n TYR 39 Ca -0.01 -1.50 -0.01 0.00 -0.16 0.00 0.00 57.90 56.22 1wgq n TYR 39 Cb 0.53 0.47 -0.01 0.00 -0.31 0.00 0.00 39.34 40.02 1wgq n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wgq n ALA 40 N -1.39 1.97 -3.00 -0.72 0.00 -1.26 -2.58 120.51 113.54 1wgq n ALA 40 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1wgq n ALA 40 Cb 0.40 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.56 0.00 0.70 0.00 0.00 -1.26 -3.98 120.51 113.41 1wgq n ALA 41 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1wgq n ALA 41 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.03 1wgq n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgq n SER 42 N -0.46 2.08 -0.01 0.00 2.88 -1.26 -4.25 113.62 112.61 1wgq n SER 42 Ca 0.00 -1.54 0.10 0.00 -1.33 0.00 0.00 58.87 56.10 1wgq n SER 42 Cb 0.00 0.18 -0.14 0.00 -0.75 0.00 0.00 64.21 63.51 1wgq n SER 42 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wgq n GLU 43 N 0.52 0.55 -0.98 -1.46 4.07 -1.26 -5.00 120.64 117.07 1wgq n GLU 43 Ca 0.08 -0.10 -0.36 0.00 -0.06 0.00 0.00 57.16 56.72 1wgq n GLU 43 Cb 0.38 -1.46 0.05 0.00 -0.06 0.00 0.00 31.44 30.35 1wgq n GLU 43 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1wgq n ASP 44 N -1.88 -5.46 -0.00 4.31 5.68 -1.26 -4.89 116.55 113.04 1wgq n ASP 44 Ca -0.00 0.17 0.09 0.00 -0.50 0.00 0.00 54.79 54.55 1wgq n ASP 44 Cb 0.43 -0.77 -0.12 0.00 -1.14 0.00 0.00 41.12 39.52 1wgq n ASP 44 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1wgq n VAL 45 N -2.69 0.00 -3.83 2.12 0.24 -1.26 -5.02 118.33 107.89 1wgq n VAL 45 Ca -0.01 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.34 61.95 1wgq n VAL 45 Cb 0.58 0.52 0.01 0.00 -1.47 0.00 0.00 33.84 33.48 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 -3.01 -0.96 0.11 2.33 0.00 -1.26 -5.15 121.76 113.82 1wgq s ALA 46 Ca -0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.19 1wgq s ALA 46 Cb 0.13 0.75 -0.07 0.00 0.00 0.00 0.00 23.12 23.92 1wgq s ALA 46 CO 0.76 -1.01 0.64 0.00 0.00 0.00 0.00 175.76 176.15 1wgq s ALA 47 N -2.99 3.54 0.15 0.00 0.00 -1.26 -4.85 121.76 116.34 1wgq s ALA 47 Ca 0.14 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 1wgq s ALA 47 Cb -0.05 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1wgq s ALA 47 CO 0.09 0.36 1.56 -0.07 0.00 0.00 0.00 175.76 177.71 1wgq h LEU 48 N 4.37 0.91 -8.19 0.00 3.38 -1.16 -3.47 115.31 111.15 1wgq h LEU 48 Ca -0.49 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.03 1wgq h LEU 48 Cb 1.21 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.60 1wgq h LEU 48 CO 0.64 1.05 -0.25 -1.61 0.09 0.00 0.00 178.44 178.36 1wgq s GLU 49 N -4.82 1.34 -0.02 1.13 0.41 -1.22 -4.99 118.70 110.53 1wgq s GLU 49 Ca -0.12 -1.25 0.00 0.00 -0.41 0.00 0.00 54.97 53.19 1wgq s GLU 49 Cb 0.12 0.41 0.02 0.00 -1.78 0.00 0.00 34.13 32.90 1wgq s GLU 49 CO 0.84 -0.52 0.01 -1.54 -0.49 0.00 0.00 175.26 173.56 1wgq s SER 50 N -3.01 0.20 -0.13 -0.19 1.04 -1.26 0.41 113.70 110.76 1wgq s SER 50 Ca 0.22 0.00 -0.05 0.00 0.48 0.00 0.00 55.95 56.60 1wgq s SER 50 Cb 0.02 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 66.10 1wgq s SER 50 CO 0.05 -0.08 0.25 -1.58 0.98 0.00 0.00 173.24 172.86 1wgq s GLN 51 N 0.75 0.14 0.48 4.02 2.00 -0.42 -4.99 119.66 121.64 1wgq s GLN 51 Ca -0.07 0.69 -0.20 0.00 -2.00 0.00 0.00 55.36 53.78 1wgq s GLN 51 Cb -0.10 -0.14 -0.08 0.00 0.80 0.00 0.00 33.01 33.49 1wgq s GLN 51 CO -0.02 -0.32 1.04 -1.25 -0.50 0.00 0.00 175.29 174.24 1wgq s PRO 52 N 2.40 3.81 -0.55 1.67 0.04 -1.26 0.95 135.00 142.07 1wgq s PRO 52 Ca 0.02 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 1wgq s PRO 52 Cb -0.12 -2.10 0.44 0.00 0.04 0.00 0.00 34.50 32.75 1wgq s PRO 52 CO -0.09 -0.42 1.99 1.28 0.04 0.00 0.00 177.00 179.80 1wgq n LEU 53 N -0.94 7.20 -4.50 -3.56 4.77 -0.92 -4.79 117.00 114.25 1wgq n LEU 53 Ca 0.09 -3.92 -0.43 0.00 -0.03 0.00 0.00 56.01 51.73 1wgq n LEU 53 Cb 0.52 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1wgq n LEU 53 CO 0.40 1.32 0.55 -0.22 -1.33 0.00 0.00 177.39 178.11 1wgq s LEU 54 N -3.27 4.45 0.00 2.23 1.98 -1.26 -3.41 118.68 119.41 1wgq s LEU 54 Ca 0.56 -0.52 0.00 0.00 -2.89 0.00 0.00 54.13 51.28 1wgq s LEU 54 Cb 0.44 -2.70 0.00 0.00 0.66 0.00 0.00 46.19 44.59 1wgq s LEU 54 CO 0.01 -1.03 0.00 0.61 -1.89 0.00 0.00 176.35 174.05 1wgq n GLY 55 N 5.11 3.40 2.49 7.98 0.00 -1.26 -5.05 105.19 117.87 1wgq n GLY 55 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 -3.50 -3.91 1.61 3.01 -1.24 -3.96 117.46 107.47 1wgq n PHE 56 Ca 0.00 -0.67 -0.09 0.00 1.01 0.00 0.00 57.45 57.70 1wgq n PHE 56 Cb 0.00 -0.90 -0.02 0.00 -0.01 0.00 0.00 39.48 38.55 1wgq n PHE 56 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1wgq s THR 57 N -2.13 0.00 0.01 4.37 2.01 0.50 -4.76 115.64 115.64 1wgq s THR 57 Ca 0.52 -1.17 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 1wgq s THR 57 Cb -0.07 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.14 1wgq s THR 57 CO 0.42 0.00 0.21 -0.69 -0.69 0.00 0.00 174.62 173.87 1wgq s VAL 58 N -3.52 0.08 -0.19 3.82 1.01 -1.26 0.02 120.40 120.36 1wgq s VAL 58 Ca 0.17 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 1wgq s VAL 58 Cb -0.04 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.80 1wgq s VAL 58 CO 0.10 -0.36 0.63 0.28 0.00 0.00 0.00 175.10 175.75 1wgq s THR 59 N -1.63 0.00 0.33 3.92 -1.32 -1.04 -4.90 115.64 110.99 1wgq s THR 59 Ca -0.12 -0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.06 1wgq s THR 59 Cb -0.05 -0.90 -0.09 0.00 -1.51 0.00 0.00 72.50 69.94 1wgq s THR 59 CO 0.01 -0.01 1.11 -0.22 -2.21 0.00 0.00 174.62 173.30 1wgq s LEU 60 N -0.08 4.41 -0.03 9.08 1.98 -1.26 -1.36 118.68 131.41 1wgq s LEU 60 Ca -0.03 2.25 0.06 0.00 -2.89 0.00 0.00 54.13 53.52 1wgq s LEU 60 Cb -0.04 -3.81 -0.01 0.00 0.66 0.00 0.00 46.19 43.00 1wgq s LEU 60 CO 0.03 -0.31 -0.20 0.54 -1.89 0.00 0.00 176.35 174.51 1wgq s VAL 61 N -1.31 1.64 -0.30 1.68 0.11 -0.94 -4.89 120.40 116.38 1wgq s VAL 61 Ca 0.49 -0.86 -0.10 0.00 -2.93 0.00 0.00 61.98 58.58 1wgq s VAL 61 Cb -0.30 -1.38 -0.02 0.00 -1.53 0.00 0.00 36.38 33.15 1wgq s VAL 61 CO 0.38 0.46 0.16 -0.75 -3.33 0.00 0.00 175.10 172.02 1wgq s LYS 62 N -0.26 3.54 0.00 1.54 2.20 -1.26 -4.46 119.74 121.04 1wgq s LYS 62 Ca 0.02 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1wgq s LYS 62 Cb -0.10 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1wgq s LYS 62 CO 0.01 -0.33 0.00 -3.47 -0.36 0.00 0.00 175.35 171.20 1wgq n ASP 63 N 5.00 0.00 0.00 1.43 2.03 -1.26 -5.09 116.55 118.67 1wgq n ASP 63 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1wgq n ASP 63 Cb 0.50 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1wgq n ASP 63 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1wgq n GLU 64 N -2.10 0.00 0.00 -0.67 0.28 -1.26 -4.97 120.64 111.92 1wgq n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1wgq n GLU 64 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1wgq n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1wgq n ASN 65 N 0.00 0.00 0.00 -1.84 2.85 -1.26 -4.81 115.26 110.20 1wgq n ASN 65 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1wgq n ASN 65 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1wgq n ASN 65 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1wgq n SER 66 N 2.17 0.00 -2.35 1.20 3.41 -1.26 -4.93 113.62 111.86 1wgq n SER 66 Ca 0.00 0.87 -0.03 0.00 -0.26 0.00 0.00 58.87 59.45 1wgq n SER 66 Cb 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1wgq n SER 66 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wgq n GLU 67 N -2.38 -1.21 -2.93 4.33 -0.58 -1.26 -3.96 120.64 112.64 1wgq n GLU 67 Ca 0.00 1.35 -0.20 0.00 -0.42 0.00 0.00 57.16 57.89 1wgq n GLU 67 Cb 0.00 -4.02 0.03 0.00 -0.57 0.00 0.00 31.44 26.88 1wgq n GLU 67 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wgq n SER 68 N -0.75 -5.61 -0.00 1.62 7.64 -1.26 -4.87 113.62 110.38 1wgq n SER 68 Ca 0.05 -0.25 0.06 0.00 1.01 0.00 0.00 58.87 59.73 1wgq n SER 68 Cb 0.35 -4.44 -0.09 0.00 -1.01 0.00 0.00 64.21 59.02 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 -3.65 0.54 -4.53 1.43 5.02 -1.25 -4.60 118.16 111.11 1wgq n LYS 69 Ca -0.10 -0.10 -0.23 0.00 -2.02 0.00 0.00 58.31 55.86 1wgq n LYS 69 Cb 0.61 -1.26 -0.14 0.00 -0.02 0.00 0.00 35.03 34.22 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 -2.76 1.37 0.35 -0.18 0.11 -1.26 -0.08 120.40 117.95 1wgq s VAL 70 Ca -0.04 -1.05 0.05 0.00 -2.93 0.00 0.00 61.98 58.02 1wgq s VAL 70 Cb 0.07 -1.21 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 1wgq s VAL 70 CO 0.48 0.14 0.20 0.72 -3.33 0.00 0.00 175.10 173.31 1wgq s PHE 71 N -0.77 1.71 0.12 1.54 -0.71 0.23 -2.22 117.98 117.89 1wgq s PHE 71 Ca 0.05 -1.48 0.06 0.00 -1.04 0.00 0.00 56.93 54.52 1wgq s PHE 71 Cb -0.08 -0.89 -0.04 0.00 -1.21 0.00 0.00 43.02 40.81 1wgq s PHE 71 CO 0.01 -0.61 -0.14 -0.65 -1.34 0.00 0.00 175.22 172.50 1wgq s GLN 72 N -3.63 1.02 -0.53 1.99 -0.21 -0.47 0.03 119.66 117.87 1wgq s GLN 72 Ca 0.34 -1.26 -0.10 0.00 0.02 0.00 0.00 55.36 54.36 1wgq s GLN 72 Cb 0.03 -0.87 0.13 0.00 1.00 0.00 0.00 33.01 33.30 1wgq s GLN 72 CO 0.21 0.16 0.42 -1.17 -2.12 0.00 0.00 175.29 172.79 1wgq s LEU 73 N -2.52 5.84 0.36 2.90 2.96 0.23 -2.51 118.68 125.94 1wgq s LEU 73 Ca 0.10 -2.05 -0.23 0.00 -0.22 0.00 0.00 54.13 51.72 1wgq s LEU 73 Cb -0.04 -2.05 -0.10 0.00 0.50 0.00 0.00 46.19 44.50 1wgq s LEU 73 CO 0.03 -0.68 0.92 -0.76 -1.32 0.00 0.00 176.35 174.54 1wgq s LEU 74 N 1.16 4.17 -0.33 -0.68 1.43 0.10 0.15 118.68 124.68 1wgq s LEU 74 Ca 0.07 1.73 -0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1wgq s LEU 74 Cb -0.25 -4.20 0.12 0.00 0.03 0.00 0.00 46.19 41.89 1wgq s LEU 74 CO -0.01 -0.19 0.16 -2.28 0.23 0.00 0.00 176.35 174.26 1wgq s HIS 75 N -1.86 0.92 0.00 0.29 2.46 0.51 0.19 115.29 117.81 1wgq s HIS 75 Ca 0.55 -1.47 0.00 0.00 0.47 0.00 0.00 55.06 54.61 1wgq s HIS 75 Cb -0.14 -1.19 0.00 0.00 -0.13 0.00 0.00 32.58 31.12 1wgq s HIS 75 CO 0.19 -0.83 0.00 1.63 -2.47 0.00 0.00 174.74 173.25 1wgq n LYS 76 N 4.60 0.00 0.00 2.88 5.02 -1.25 -3.11 118.16 126.29 1wgq n LYS 76 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1wgq n LYS 76 Cb 0.40 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 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 -2.32 1.29 3.85 0.72 0.00 -1.26 -5.10 105.19 102.37 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 0.00 3.92 0.17 1.61 1.00 -1.18 -4.97 119.30 119.84 1wgq s MET 78 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 55.69 55.79 1wgq s MET 78 Cb 0.00 -3.01 -0.08 0.00 0.00 0.00 0.00 34.83 31.73 1wgq s MET 78 CO 0.00 0.54 1.29 0.08 0.00 0.00 0.00 175.02 176.94 1wgq s VAL 79 N -1.37 3.36 -0.23 -6.03 1.01 -1.26 0.19 120.40 116.08 1wgq s VAL 79 Ca 0.34 1.09 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1wgq s VAL 79 Cb -0.15 -3.70 -0.17 0.00 0.00 0.00 0.00 36.38 32.36 1wgq s VAL 79 CO 0.18 0.15 -0.15 0.33 0.00 0.00 0.00 175.10 175.61 1wgq n PHE 80 N 2.91 0.00 -3.64 5.22 7.35 0.41 -4.83 117.46 124.88 1wgq n PHE 80 Ca 0.07 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.68 1wgq n PHE 80 Cb 0.43 -0.92 -0.02 0.00 0.35 0.00 0.00 39.48 39.33 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 -2.47 -0.29 -0.23 -5.13 2.02 -1.20 -4.96 117.35 105.08 1wgq s TYR 81 Ca -0.27 0.02 -0.02 0.00 -0.37 0.00 0.00 57.07 56.43 1wgq s TYR 81 Cb 0.08 0.61 0.02 0.00 -0.40 0.00 0.00 41.96 42.26 1wgq s TYR 81 CO 0.60 -0.84 -0.07 0.08 -1.57 0.00 0.00 175.55 173.74 1wgq s VAL 82 N -3.48 2.90 -0.20 0.71 1.01 0.03 -0.60 120.40 120.78 1wgq s VAL 82 Ca 0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1wgq s VAL 82 Cb -0.02 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1wgq s VAL 82 CO -0.03 0.30 -0.03 -0.36 0.00 0.00 0.00 175.10 174.98 1wgq s PHE 83 N 1.36 2.98 0.15 5.22 0.08 0.10 -1.32 117.98 126.56 1wgq s PHE 83 Ca 0.02 -0.69 0.05 0.00 0.12 0.00 0.00 56.93 56.44 1wgq s PHE 83 Cb -0.16 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1wgq s PHE 83 CO -0.05 -0.37 0.10 0.21 -0.10 0.00 0.00 175.22 175.00 1wgq s LYS 84 N 1.15 2.80 0.17 0.44 2.20 -0.95 0.75 119.74 126.30 1wgq s LYS 84 Ca 0.02 -0.88 0.08 0.00 -0.36 0.00 0.00 55.97 54.83 1wgq s LYS 84 Cb -0.15 -2.60 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 1wgq s LYS 84 CO 0.00 0.49 -0.17 0.00 -0.36 0.00 0.00 175.35 175.32 1wgq s ALA 85 N -1.68 1.92 -0.08 3.13 0.00 0.88 -3.24 121.76 122.70 1wgq s ALA 85 Ca 0.30 -1.49 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 1wgq s ALA 85 Cb -0.10 -0.14 -0.24 0.00 0.00 0.00 0.00 23.12 22.64 1wgq s ALA 85 CO 0.22 0.17 0.99 -0.44 0.00 0.00 0.00 175.76 176.70 1wgq h ASP 86 N 3.14 0.09 -1.94 0.00 3.32 -1.90 -3.44 116.42 115.69 1wgq h ASP 86 Ca -0.41 -0.79 -0.46 0.00 0.02 0.00 0.00 57.03 55.39 1wgq h ASP 86 Cb 1.21 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1wgq h ASP 86 CO 0.53 0.87 -0.40 -1.81 -1.72 0.00 0.00 179.24 176.71 1wgq s ASP 87 N -6.14 5.87 -0.12 6.45 1.01 -1.26 -5.06 116.67 117.42 1wgq s ASP 87 Ca -0.17 -0.20 -0.08 0.00 0.71 0.00 0.00 52.55 52.82 1wgq s ASP 87 Cb -0.00 -1.35 -0.06 0.00 1.01 0.00 0.00 42.92 42.52 1wgq s ASP 87 CO 0.71 -0.29 0.06 0.00 0.21 0.00 0.00 175.17 175.86 1wgq h ALA 88 N 1.09 0.02 -1.07 5.23 0.00 -1.89 -3.24 119.26 119.41 1wgq h ALA 88 Ca -0.47 -0.30 0.39 0.00 0.00 0.00 0.00 54.91 54.53 1wgq h ALA 88 Cb 1.25 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 19.08 1wgq h ALA 88 CO 0.57 0.20 0.61 0.45 0.00 0.00 0.00 179.25 181.08 1wgq h HIS 89 N -1.00 0.80 -0.18 0.00 3.86 -1.96 1.22 115.15 117.89 1wgq h HIS 89 Ca -0.03 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1wgq h HIS 89 Cb 0.37 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1wgq h HIS 89 CO -0.02 -0.31 0.11 0.77 0.86 0.00 0.00 177.93 179.34 1wgq h SER 90 N 0.14 0.22 -0.70 2.45 0.02 -1.94 -2.90 113.55 110.83 1wgq h SER 90 Ca 0.80 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.82 1wgq h SER 90 Cb 2.11 -0.05 -0.12 0.00 0.14 0.00 0.00 62.40 64.47 1wgq h SER 90 CO -0.64 0.19 -0.43 0.74 -1.14 0.00 0.00 176.83 175.55 1wgq h THR 91 N 0.22 0.07 -0.99 -2.27 2.02 0.15 0.74 112.91 112.85 1wgq h THR 91 Ca 0.07 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.47 1wgq h THR 91 Cb 0.01 0.07 -0.12 0.00 -1.74 0.00 0.00 68.15 66.37 1wgq h THR 91 CO -0.01 0.00 0.57 1.56 0.37 0.00 0.00 175.52 178.01 1wgq h GLN 92 N -0.15 0.59 0.08 6.66 1.08 -1.31 0.96 115.11 123.02 1wgq h GLN 92 Ca 0.22 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1wgq h GLN 92 Cb 0.55 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1wgq h GLN 92 CO -0.77 0.39 -0.04 0.00 -0.95 0.00 0.00 178.83 177.46 1wgq h ARG 93 N 0.61 -0.10 -0.53 1.46 3.08 0.51 0.35 114.38 119.75 1wgq h ARG 93 Ca 0.61 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.67 1wgq h ARG 93 Cb 1.11 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 1wgq h ARG 93 CO -0.46 0.11 0.33 -1.49 -1.07 0.00 0.00 179.97 177.40 1wgq h TRP 94 N -0.30 0.69 0.24 3.04 4.06 0.12 1.01 115.95 124.81 1wgq h TRP 94 Ca -0.01 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1wgq h TRP 94 Cb 0.26 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1wgq h TRP 94 CO -0.01 0.46 -0.17 0.82 -3.56 0.00 0.00 178.44 175.97 1wgq h ILE 95 N 0.71 0.00 -0.73 1.49 2.04 0.10 1.20 117.51 122.33 1wgq h ILE 95 Ca 0.19 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.22 1wgq h ILE 95 Cb -0.04 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 35.99 1wgq h ILE 95 CO -0.04 0.00 0.50 -0.78 0.00 0.00 0.00 178.15 177.83 1wgq h ASP 96 N -0.40 0.27 -0.28 1.72 3.58 -0.22 1.34 116.42 122.43 1wgq h ASP 96 Ca -0.03 0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.31 1wgq h ASP 96 Cb 0.33 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1wgq h ASP 96 CO 0.01 0.13 -0.26 0.00 -2.88 0.00 0.00 179.24 176.24 1wgq h ALA 97 N 1.66 0.83 0.00 -0.78 0.00 0.18 0.37 119.26 121.51 1wgq h ALA 97 Ca 0.36 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1wgq h ALA 97 Cb 0.99 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1wgq h ALA 97 CO -0.09 0.64 -0.81 0.74 0.00 0.00 0.00 179.25 179.73 1wgq h PHE 98 N 0.67 0.00 0.07 0.00 0.04 0.61 -3.23 116.94 115.11 1wgq h PHE 98 Ca 0.08 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1wgq h PHE 98 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1wgq h PHE 98 CO 0.04 0.63 -0.04 1.96 -0.60 0.00 0.00 178.31 180.31 1wgq h GLN 99 N 0.00 -0.10 -1.06 1.51 1.08 0.17 -3.13 115.11 113.58 1wgq h GLN 99 Ca -0.04 0.01 0.31 0.00 -1.45 0.00 0.00 58.65 57.47 1wgq h GLN 99 Cb 1.52 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.93 1wgq h GLN 99 CO 0.08 0.01 0.88 0.93 -0.95 0.00 0.00 178.83 179.78 1wgq h GLU 100 N -1.02 0.00 0.51 1.46 5.08 -0.41 0.59 114.58 120.78 1wgq h GLU 100 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1wgq h GLU 100 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1wgq h GLU 100 CO 0.02 0.00 -0.24 0.78 -1.00 0.00 0.00 179.01 178.56 1wgq h GLY 101 N 0.00 -0.71 1.54 -3.84 0.00 -1.61 -3.11 103.07 95.34 1wgq h GLY 101 Ca 0.50 0.26 0.05 0.00 0.00 0.00 0.00 47.33 48.15 1wgq h GLY 101 CO -0.01 -0.26 0.18 -0.91 0.00 0.00 0.00 176.54 175.55 1wgq h THR 102 N -1.00 0.52 -5.96 4.70 1.35 -1.01 -3.42 112.91 108.10 1wgq h THR 102 Ca -0.07 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.38 1wgq h THR 102 Cb 0.52 0.86 0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1wgq h THR 102 CO 0.11 0.00 -0.09 0.55 -0.25 0.00 0.00 175.52 175.84 1wgq n VAL 103 N -3.88 0.00 -1.51 6.82 3.14 0.02 -4.58 118.33 118.33 1wgq n VAL 103 Ca 0.01 -1.60 0.03 0.00 -2.96 0.00 0.00 64.34 59.82 1wgq n VAL 103 Cb 0.30 -0.50 0.04 0.00 -1.06 0.00 0.00 33.84 32.62 1wgq n VAL 103 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1wgq n SER 104 N -2.33 0.80 0.00 6.55 2.88 -1.26 -4.81 113.62 115.45 1wgq n SER 104 Ca 0.10 -2.22 0.00 0.00 -1.33 0.00 0.00 58.87 55.42 1wgq n SER 104 Cb 0.49 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.45 1.52 3.62 0.46 0.00 -1.26 -4.34 105.19 104.74 1wgq n GLY 105 Ca 0.05 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1wgq n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgq s PRO 106 N 0.00 3.76 0.31 1.61 0.04 -1.26 -5.00 135.00 134.46 1wgq s PRO 106 Ca 0.00 1.14 0.10 0.00 0.04 0.00 0.00 61.00 62.28 1wgq s PRO 106 Cb 0.00 -3.95 -0.06 0.00 0.04 0.00 0.00 34.50 30.53 1wgq s PRO 106 CO 0.00 -1.33 -0.14 -1.12 0.04 0.00 0.00 177.00 174.45 1wgq s SER 107 N 3.40 3.61 0.20 6.66 0.01 -1.26 -5.01 113.70 121.31 1wgq s SER 107 Ca 0.59 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1wgq s SER 107 Cb -0.16 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1wgq s SER 107 CO 0.28 -0.11 0.00 -0.24 0.41 0.00 0.00 173.24 173.57 1wgq n SER 108 N -0.71 -1.80 0.00 2.44 2.88 -1.26 -5.23 113.62 109.94 1wgq n SER 108 Ca -0.05 0.56 0.13 0.00 -1.33 0.00 0.00 58.87 58.18 1wgq n SER 108 Cb 0.62 1.90 0.78 0.00 -0.75 0.00 0.00 64.21 66.76 1wgq n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42