#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 -6.38 -4.75 1.61 7.64 -1.26 -5.00 113.62 105.48 1wgq n SER 2 Ca 0.00 1.39 -0.23 0.00 1.01 0.00 0.00 58.87 61.04 1wgq n SER 2 Cb 0.00 -3.65 -0.06 0.00 -1.01 0.00 0.00 64.21 59.49 1wgq n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgq s SER 3 N -5.06 4.69 0.00 6.43 0.15 -1.26 -5.09 113.70 113.56 1wgq s SER 3 Ca 0.00 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1wgq s SER 3 Cb 0.00 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1wgq s SER 3 CO 0.00 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1wgq n GLY 4 N -1.20 2.94 3.15 9.45 0.00 -1.26 -5.17 105.19 113.09 1wgq n GLY 4 Ca -0.02 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1wgq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgq s SER 5 N 0.00 1.83 0.05 1.61 0.15 -1.26 -5.04 113.70 111.04 1wgq s SER 5 Ca 0.00 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 1wgq s SER 5 Cb 0.00 -0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1wgq s SER 5 CO 0.00 0.13 -0.02 -1.20 1.20 0.00 0.00 173.24 173.35 1wgq n SER 6 N 2.33 0.87 0.00 5.45 7.64 -1.26 -5.12 113.62 123.52 1wgq n SER 6 Ca -0.16 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1wgq n SER 6 Cb 0.55 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 3.23 -0.88 3.45 0.23 0.00 -1.26 -5.14 105.19 104.82 1wgq n GLY 7 Ca -0.02 0.58 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -1.29 0.28 1.61 7.64 -1.26 -4.93 113.62 115.67 1wgq n SER 8 Ca 0.00 0.67 -0.11 0.00 1.01 0.00 0.00 58.87 60.44 1wgq n SER 8 Cb 0.00 -1.17 -0.05 0.00 -1.01 0.00 0.00 64.21 61.98 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 -0.00 0.00 -3.16 0.44 2.02 -1.95 -3.46 112.91 106.80 1wgq h THR 9 Ca -0.45 -0.21 -0.18 0.00 0.77 0.00 0.00 66.41 66.35 1wgq h THR 9 Cb 1.38 0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 67.53 1wgq h THR 9 CO 0.45 0.00 -0.46 -0.32 0.37 0.00 0.00 175.52 175.56 1wgq s MET 10 N -4.15 0.25 0.27 6.66 0.00 -1.26 -5.08 119.30 115.99 1wgq s MET 10 Ca -0.11 0.35 -0.21 0.00 0.00 0.00 0.00 55.69 55.72 1wgq s MET 10 Cb 0.01 0.08 0.02 0.00 0.00 0.00 0.00 34.83 34.95 1wgq s MET 10 CO 0.32 -0.06 0.73 -1.54 0.00 0.00 0.00 175.02 174.48 1wgq s SER 11 N 0.33 -0.25 0.00 1.11 1.04 -1.26 -2.97 113.70 111.69 1wgq s SER 11 Ca -0.02 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1wgq s SER 11 Cb -0.03 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1wgq s SER 11 CO -0.01 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.49 1wgq n GLY 12 N -0.46 1.71 3.82 7.32 0.00 -1.26 -5.09 105.19 111.24 1wgq n GLY 12 Ca -0.04 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.33 3.77 0.19 1.61 2.02 -1.26 -3.76 117.35 118.58 1wgq s TYR 13 Ca 0.00 1.16 -0.01 0.00 -0.37 0.00 0.00 57.07 57.84 1wgq s TYR 13 Cb 0.00 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 1wgq s TYR 13 CO 0.00 0.60 0.13 -0.51 -1.57 0.00 0.00 175.55 174.20 1wgq s LEU 14 N -1.15 1.25 -0.16 -1.29 1.43 -1.06 -4.47 118.68 113.23 1wgq s LEU 14 Ca 0.28 -1.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1wgq s LEU 14 Cb -0.18 0.42 0.01 0.00 0.03 0.00 0.00 46.19 46.46 1wgq s LEU 14 CO 0.17 -0.83 -0.19 -0.31 0.23 0.00 0.00 176.35 175.43 1wgq s TYR 15 N -4.13 2.74 -0.01 0.29 2.02 -0.83 -2.97 117.35 114.46 1wgq s TYR 15 Ca 0.35 -1.32 -0.02 0.00 -0.37 0.00 0.00 57.07 55.71 1wgq s TYR 15 Cb 0.07 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1wgq s TYR 15 CO 0.10 -0.62 0.15 0.50 -1.57 0.00 0.00 175.55 174.11 1wgq s ARG 16 N 0.98 3.34 0.22 -0.62 3.52 -0.48 -1.28 118.95 124.62 1wgq s ARG 16 Ca -0.03 -0.37 -0.16 0.00 -0.13 0.00 0.00 55.73 55.05 1wgq s ARG 16 Cb -0.15 -3.03 0.02 0.00 -1.56 0.00 0.00 34.95 30.23 1wgq s ARG 16 CO -0.04 0.67 0.52 -1.12 -0.81 0.00 0.00 175.30 174.51 1wgq s SER 17 N -1.88 -0.20 -0.12 -2.12 0.01 -0.11 0.17 113.70 109.45 1wgq s SER 17 Ca 0.26 -0.63 0.12 0.00 1.31 0.00 0.00 55.95 57.01 1wgq s SER 17 Cb -0.12 0.59 -0.24 0.00 0.21 0.00 0.00 66.02 66.46 1wgq s SER 17 CO 0.17 -1.10 0.37 0.29 0.41 0.00 0.00 173.24 173.38 1wgq n LYS 18 N -0.36 0.66 0.00 12.44 4.76 -1.26 0.17 118.16 134.58 1wgq n LYS 18 Ca -0.07 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1wgq n LYS 18 Cb 0.62 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 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 1.71 1.05 3.23 0.72 0.00 -1.26 -4.66 105.19 105.98 1wgq n GLY 19 Ca -0.26 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.13 0.00 1.61 7.64 -1.26 -2.08 113.62 116.39 1wgq n SER 20 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1wgq n SER 20 Cb 0.00 -0.94 0.00 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 -0.32 0.00 -1.61 1.43 4.76 -1.26 -4.94 118.16 116.22 1wgq n LYS 21 Ca 0.02 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.13 1wgq n LYS 21 Cb 0.60 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.85 1wgq n LYS 21 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wgq s LYS 22 N 0.00 2.64 0.24 1.97 1.02 -0.88 -4.98 119.74 119.74 1wgq s LYS 22 Ca 0.00 1.33 -0.30 0.00 0.02 0.00 0.00 55.97 57.02 1wgq s LYS 22 Cb 0.00 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.29 1wgq s LYS 22 CO 0.00 -1.37 1.10 -1.25 -0.92 0.00 0.00 175.35 172.91 1wgq s PRO 23 N -4.32 4.63 0.26 -1.68 0.04 -1.26 -4.92 135.00 127.74 1wgq s PRO 23 Ca 0.65 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 1wgq s PRO 23 Cb -0.20 -3.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 1wgq s PRO 23 CO 0.46 0.17 1.20 -1.58 0.04 0.00 0.00 177.00 177.29 1wgq s TRP 24 N -0.78 3.37 0.14 0.56 0.52 -1.26 -4.80 118.94 116.69 1wgq s TRP 24 Ca 0.46 1.49 -0.09 0.00 0.02 0.00 0.00 56.10 57.99 1wgq s TRP 24 Cb -0.31 -3.46 -0.06 0.00 -1.15 0.00 0.00 33.47 28.49 1wgq s TRP 24 CO 0.38 -1.22 0.46 0.21 0.02 0.00 0.00 176.95 176.79 1wgq s LYS 25 N -1.05 3.77 -0.32 4.98 2.20 0.44 -4.91 119.74 124.85 1wgq s LYS 25 Ca 0.49 0.19 -0.10 0.00 -0.36 0.00 0.00 55.97 56.19 1wgq s LYS 25 Cb -0.35 -2.86 -0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1wgq s LYS 25 CO 0.43 0.46 0.17 -1.58 -0.36 0.00 0.00 175.35 174.46 1wgq s HIS 26 N -1.58 3.19 0.30 4.03 5.65 -1.26 -1.38 115.29 124.24 1wgq s HIS 26 Ca 0.39 -0.61 -0.13 0.00 0.25 0.00 0.00 55.06 54.96 1wgq s HIS 26 Cb -0.13 -2.37 0.01 0.00 -1.18 0.00 0.00 32.58 28.91 1wgq s HIS 26 CO 0.21 -0.48 0.58 -0.48 -0.65 0.00 0.00 174.74 173.91 1wgq s LEU 27 N 1.61 0.28 0.10 8.88 -0.00 -1.16 -5.00 118.68 123.40 1wgq s LEU 27 Ca 0.04 -1.01 0.06 0.00 -0.00 0.00 0.00 54.13 53.23 1wgq s LEU 27 Cb -0.17 2.08 -0.03 0.00 -0.00 0.00 0.00 46.19 48.06 1wgq s LEU 27 CO 0.07 -1.31 -0.16 0.86 -0.00 0.00 0.00 176.35 175.81 1wgq s TRP 28 N -3.52 1.45 0.21 3.48 -0.11 0.18 -2.56 118.94 118.07 1wgq s TRP 28 Ca 0.21 -0.49 -0.03 0.00 1.22 0.00 0.00 56.10 57.01 1wgq s TRP 28 Cb -0.02 -0.78 -0.03 0.00 -1.50 0.00 0.00 33.47 31.13 1wgq s TRP 28 CO 0.11 0.14 0.18 -0.06 -4.62 0.00 0.00 176.95 172.70 1wgq s PHE 29 N -1.63 1.05 0.08 5.86 0.40 -1.25 0.19 117.98 122.69 1wgq s PHE 29 Ca 0.05 -1.29 -0.18 0.00 -0.60 0.00 0.00 56.93 54.91 1wgq s PHE 29 Cb -0.08 -0.45 0.04 0.00 0.51 0.00 0.00 43.02 43.04 1wgq s PHE 29 CO 0.03 -0.69 0.44 0.08 0.70 0.00 0.00 175.22 175.78 1wgq s VAL 30 N -4.13 0.05 -0.57 -0.44 1.01 -0.87 -4.04 120.40 111.42 1wgq s VAL 30 Ca 0.37 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1wgq s VAL 30 Cb 0.06 -1.05 0.14 0.00 0.00 0.00 0.00 36.38 35.54 1wgq s VAL 30 CO 0.12 -0.24 0.33 -0.63 0.00 0.00 0.00 175.10 174.68 1wgq s ILE 31 N -3.07 2.90 0.00 2.22 1.01 -1.16 -2.21 121.20 120.90 1wgq s ILE 31 Ca -0.02 -3.34 0.00 0.00 0.00 0.00 0.00 60.65 57.29 1wgq s ILE 31 Cb 0.00 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1wgq s ILE 31 CO -0.07 -0.84 0.00 1.17 0.00 0.00 0.00 174.94 175.20 1wgq n LYS 32 N 3.07 0.00 -3.16 2.79 4.81 -1.21 -4.50 118.16 119.96 1wgq n LYS 32 Ca 0.07 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.13 1wgq n LYS 32 Cb 0.34 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.37 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 5.60 -1.65 3.14 2.85 -1.26 -4.70 115.26 119.25 1wgq n ASN 33 Ca 0.00 -3.39 -0.13 0.00 -0.11 0.00 0.00 54.58 50.95 1wgq n ASN 33 Cb 0.00 -1.11 -0.04 0.00 1.24 0.00 0.00 39.78 39.87 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 1.30 -1.52 -4.72 1.20 5.02 -1.26 -4.90 118.16 113.28 1wgq n LYS 34 Ca 0.27 0.71 -0.33 0.00 -2.02 0.00 0.00 58.31 56.94 1wgq n LYS 34 Cb 0.36 -5.04 -0.15 0.00 -0.02 0.00 0.00 35.03 30.17 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 -2.22 2.71 -0.87 -0.18 1.01 -1.26 -2.78 120.40 116.82 1wgq s VAL 35 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1wgq s VAL 35 Cb 0.00 -2.13 0.07 0.00 0.00 0.00 0.00 36.38 34.32 1wgq s VAL 35 CO 0.00 0.52 1.23 -0.22 0.00 0.00 0.00 175.10 176.63 1wgq s LEU 36 N 0.58 4.06 0.02 3.92 1.98 0.15 -3.34 118.68 126.05 1wgq s LEU 36 Ca -0.09 -1.34 -0.23 0.00 -2.89 0.00 0.00 54.13 49.58 1wgq s LEU 36 Cb -0.16 -2.49 -0.05 0.00 0.66 0.00 0.00 46.19 44.15 1wgq s LEU 36 CO 0.03 -1.43 0.69 -0.31 -1.89 0.00 0.00 176.35 173.44 1wgq s TYR 37 N 4.28 3.71 0.44 5.38 2.02 -0.94 -2.03 117.35 130.22 1wgq s TYR 37 Ca 0.35 1.35 -0.11 0.00 -0.37 0.00 0.00 57.07 58.29 1wgq s TYR 37 Cb -0.06 -2.72 -0.06 0.00 -0.40 0.00 0.00 41.96 38.71 1wgq s TYR 37 CO -0.01 0.31 0.81 0.99 -1.57 0.00 0.00 175.55 176.08 1wgq s THR 38 N -0.13 4.76 0.32 -0.71 2.01 0.63 -2.05 115.64 120.48 1wgq s THR 38 Ca 0.35 0.66 -0.15 0.00 0.31 0.00 0.00 61.69 62.86 1wgq s THR 38 Cb -0.19 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.59 1wgq s THR 38 CO 0.20 -0.62 0.68 -0.31 -0.69 0.00 0.00 174.62 173.89 1wgq s TYR 39 N -2.49 0.17 -0.03 4.92 2.02 0.50 -1.61 117.35 120.83 1wgq s TYR 39 Ca 0.52 -0.67 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1wgq s TYR 39 Cb -0.10 0.58 -0.02 0.00 -0.40 0.00 0.00 41.96 42.01 1wgq s TYR 39 CO 0.34 -1.32 -0.02 0.00 -1.57 0.00 0.00 175.55 172.98 1wgq n ALA 40 N -0.49 1.93 -2.64 3.71 0.00 -1.26 -0.64 120.51 121.12 1wgq n ALA 40 Ca -0.05 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 1wgq n ALA 40 Cb 0.60 0.38 -0.10 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.07 3.35 0.06 0.00 0.00 -1.26 -4.39 121.76 117.45 1wgq s ALA 41 Ca -0.04 -1.57 -0.32 0.00 0.00 0.00 0.00 51.96 50.03 1wgq s ALA 41 Cb 0.01 0.23 -0.18 0.00 0.00 0.00 0.00 23.12 23.18 1wgq s ALA 41 CO 0.08 -0.13 1.55 1.03 0.00 0.00 0.00 175.76 178.29 1wgq h SER 42 N 1.68 -0.73 -2.18 0.00 0.87 -1.97 -3.26 113.55 107.96 1wgq h SER 42 Ca -0.43 0.01 -0.68 0.00 -1.23 0.00 0.00 61.79 59.46 1wgq h SER 42 Cb 1.27 0.19 -0.36 0.00 -0.44 0.00 0.00 62.40 63.06 1wgq h SER 42 CO 0.75 -0.48 0.03 -0.62 -0.53 0.00 0.00 176.83 175.98 1wgq n GLU 43 N -5.44 3.98 -1.36 2.24 -0.58 -1.26 -4.99 120.64 113.23 1wgq n GLU 43 Ca -0.13 -4.68 -0.35 0.00 -0.42 0.00 0.00 57.16 51.58 1wgq n GLU 43 Cb 0.36 -2.32 0.10 0.00 -0.57 0.00 0.00 31.44 29.01 1wgq n GLU 43 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1wgq n ASP 44 N -0.23 1.09 0.20 1.62 -0.08 -1.23 -4.88 116.55 113.03 1wgq n ASP 44 Ca 0.39 0.68 0.04 0.00 -1.51 0.00 0.00 54.79 54.38 1wgq n ASP 44 Cb 0.36 -1.48 0.40 0.00 2.34 0.00 0.00 41.12 42.74 1wgq n ASP 44 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1wgq h VAL 45 N -0.30 1.19 -2.68 5.18 -1.51 -1.97 -3.45 116.25 112.72 1wgq h VAL 45 Ca -0.48 -1.13 -0.02 0.00 -1.23 0.00 0.00 66.70 63.84 1wgq h VAL 45 Cb 1.32 1.62 -0.14 0.00 -2.13 0.00 0.00 31.29 31.96 1wgq h VAL 45 CO 0.48 0.32 0.23 0.00 -1.23 0.00 0.00 177.57 177.37 1wgq s ALA 46 N -4.25 -1.66 0.35 5.19 0.00 -1.26 -5.15 121.76 114.97 1wgq s ALA 46 Ca -0.03 0.75 -0.26 0.00 0.00 0.00 0.00 51.96 52.42 1wgq s ALA 46 Cb 0.14 0.61 -0.09 0.00 0.00 0.00 0.00 23.12 23.78 1wgq s ALA 46 CO 0.71 -0.66 1.03 0.00 0.00 0.00 0.00 175.76 176.84 1wgq s ALA 47 N -3.03 3.20 0.10 0.00 0.00 -1.26 -4.81 121.76 115.95 1wgq s ALA 47 Ca -0.02 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 1wgq s ALA 47 Cb -0.01 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.69 1wgq s ALA 47 CO -0.07 -0.08 1.28 -0.07 0.00 0.00 0.00 175.76 176.82 1wgq h LEU 48 N 3.03 0.90 -8.28 0.00 3.38 -1.64 -3.48 115.31 109.23 1wgq h LEU 48 Ca -0.47 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 56.77 1wgq h LEU 48 Cb 1.21 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 1wgq h LEU 48 CO 0.64 1.43 -0.21 -1.61 0.09 0.00 0.00 178.44 178.78 1wgq s GLU 49 N -3.61 1.46 -0.05 1.13 0.41 -1.25 -4.98 118.70 111.81 1wgq s GLU 49 Ca -0.10 -1.30 -0.02 0.00 -0.41 0.00 0.00 54.97 53.14 1wgq s GLU 49 Cb 0.08 0.43 0.03 0.00 -1.78 0.00 0.00 34.13 32.90 1wgq s GLU 49 CO 0.91 -0.59 0.08 -1.54 -0.49 0.00 0.00 175.26 173.63 1wgq s SER 50 N -3.04 0.90 -0.05 -0.19 1.04 -1.26 -0.27 113.70 110.83 1wgq s SER 50 Ca 0.25 0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 1wgq s SER 50 Cb 0.01 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.12 1wgq s SER 50 CO 0.09 -0.23 0.08 -1.58 0.98 0.00 0.00 173.24 172.58 1wgq s GLN 51 N 2.03 -0.03 0.58 4.02 2.00 -0.86 -5.01 119.66 122.38 1wgq s GLN 51 Ca 0.02 0.38 -0.16 0.00 -2.00 0.00 0.00 55.36 53.61 1wgq s GLN 51 Cb -0.12 -0.38 -0.04 0.00 0.80 0.00 0.00 33.01 33.27 1wgq s GLN 51 CO -0.04 -0.28 1.05 -1.25 -0.50 0.00 0.00 175.29 174.27 1wgq s PRO 52 N 1.89 3.43 -0.49 1.67 0.04 -1.26 0.32 135.00 140.60 1wgq s PRO 52 Ca 0.01 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.24 1wgq s PRO 52 Cb -0.12 -2.05 0.52 0.00 0.04 0.00 0.00 34.50 32.89 1wgq s PRO 52 CO -0.04 -0.72 1.92 1.28 0.04 0.00 0.00 177.00 179.48 1wgq n LEU 53 N -1.91 6.87 -4.58 -3.56 4.77 -1.12 -4.76 117.00 112.72 1wgq n LEU 53 Ca 0.08 -3.71 -0.43 0.00 -0.03 0.00 0.00 56.01 51.92 1wgq n LEU 53 Cb 0.53 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 1wgq n LEU 53 CO 0.47 1.18 0.82 -0.22 -1.33 0.00 0.00 177.39 178.31 1wgq s LEU 54 N -3.19 3.91 0.00 2.23 1.98 -1.26 -3.64 118.68 118.71 1wgq s LEU 54 Ca 0.55 0.23 0.00 0.00 -2.89 0.00 0.00 54.13 52.02 1wgq s LEU 54 Cb 0.45 -3.29 0.00 0.00 0.66 0.00 0.00 46.19 44.01 1wgq s LEU 54 CO 0.05 -1.09 0.00 0.61 -1.89 0.00 0.00 176.35 174.03 1wgq n GLY 55 N 4.88 2.93 3.05 7.98 0.00 -1.26 -5.04 105.19 117.74 1wgq n GLY 55 Ca 0.08 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -2.44 -3.92 1.61 3.01 -1.24 -4.18 117.46 110.30 1wgq n PHE 56 Ca 0.00 -0.08 -0.08 0.00 1.01 0.00 0.00 57.45 58.29 1wgq n PHE 56 Cb 0.00 -1.39 -0.04 0.00 -0.01 0.00 0.00 39.48 38.04 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 -2.09 0.00 0.03 4.37 2.01 0.49 -4.78 115.64 115.68 1wgq s THR 57 Ca 0.40 -1.20 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1wgq s THR 57 Cb -0.07 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 1wgq s THR 57 CO 0.38 -0.02 0.09 -0.69 -0.69 0.00 0.00 174.62 173.69 1wgq s VAL 58 N -3.97 0.12 -0.26 3.82 1.01 -1.26 0.63 120.40 120.49 1wgq s VAL 58 Ca 0.17 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1wgq s VAL 58 Cb -0.02 -0.70 0.08 0.00 0.00 0.00 0.00 36.38 35.73 1wgq s VAL 58 CO 0.07 -0.54 0.64 0.28 0.00 0.00 0.00 175.10 175.56 1wgq s THR 59 N -2.16 -0.00 0.35 3.92 -1.32 -1.06 -4.91 115.64 110.46 1wgq s THR 59 Ca -0.09 0.02 -0.28 0.00 -1.21 0.00 0.00 61.69 60.13 1wgq s THR 59 Cb -0.04 -0.93 -0.10 0.00 -1.51 0.00 0.00 72.50 69.92 1wgq s THR 59 CO -0.03 0.01 1.25 -0.22 -2.21 0.00 0.00 174.62 173.43 1wgq s LEU 60 N 1.53 4.37 -0.01 9.08 1.98 -1.26 -2.08 118.68 132.29 1wgq s LEU 60 Ca -0.09 2.57 0.06 0.00 -2.89 0.00 0.00 54.13 53.78 1wgq s LEU 60 Cb -0.06 -3.75 -0.03 0.00 0.66 0.00 0.00 46.19 43.02 1wgq s LEU 60 CO -0.18 -0.55 -0.21 0.54 -1.89 0.00 0.00 176.35 174.07 1wgq s VAL 61 N -1.21 2.55 0.00 1.68 0.11 -0.96 -4.93 120.40 117.64 1wgq s VAL 61 Ca 0.51 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1wgq s VAL 61 Cb -0.37 -1.97 0.00 0.00 -1.53 0.00 0.00 36.38 32.51 1wgq s VAL 61 CO 0.48 0.52 0.59 0.29 -3.33 0.00 0.00 175.10 173.65 1wgq n LYS 62 N 2.17 0.00 -1.14 1.54 5.02 -1.26 -3.79 118.16 120.70 1wgq n LYS 62 Ca -0.17 0.20 0.10 0.00 -2.02 0.00 0.00 58.31 56.43 1wgq n LYS 62 Cb 0.52 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.38 1wgq n LYS 62 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wgq n ASP 63 N -0.90 -6.18 -0.05 4.39 -0.08 -1.26 -1.57 116.55 110.91 1wgq n ASP 63 Ca 0.00 1.22 -0.06 0.00 -1.51 0.00 0.00 54.79 54.44 1wgq n ASP 63 Cb 0.00 -3.82 -0.02 0.00 2.34 0.00 0.00 41.12 39.63 1wgq n ASP 63 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1wgq n GLU 64 N -3.46 0.33 -0.13 -0.67 4.07 -1.26 -3.36 120.64 116.16 1wgq n GLU 64 Ca -0.06 0.13 -0.06 0.00 -0.06 0.00 0.00 57.16 57.11 1wgq n GLU 64 Cb 0.49 -1.05 -0.00 0.00 -0.06 0.00 0.00 31.44 30.82 1wgq n GLU 64 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1wgq h ASN 65 N -0.62 -0.97 0.09 4.31 -1.24 -2.03 -3.13 115.58 112.00 1wgq h ASN 65 Ca 0.00 0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 1wgq h ASN 65 Cb 0.62 0.48 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1wgq h ASN 65 CO 0.00 -0.29 -0.04 0.28 -1.29 0.00 0.00 177.43 176.08 1wgq h SER 66 N -0.20 -0.10 -3.44 1.15 0.02 -1.88 -3.50 113.55 105.59 1wgq h SER 66 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1wgq h SER 66 Cb 0.51 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1wgq h SER 66 CO -0.55 0.00 -0.33 -0.62 -1.14 0.00 0.00 176.83 174.20 1wgq n GLU 67 N -2.72 -0.97 -3.68 3.45 -0.58 -1.18 -4.24 120.64 110.71 1wgq n GLU 67 Ca -0.01 1.13 -0.26 0.00 -0.42 0.00 0.00 57.16 57.59 1wgq n GLU 67 Cb 0.05 -1.91 -0.05 0.00 -0.57 0.00 0.00 31.44 28.96 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 0.33 -1.46 -0.02 1.62 7.64 -0.61 -4.64 113.62 116.48 1wgq n SER 68 Ca -0.08 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1wgq n SER 68 Cb 0.12 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1wgq n SER 68 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1wgq n LYS 69 N -3.36 0.82 -4.02 1.43 4.81 -1.26 -4.79 118.16 111.79 1wgq n LYS 69 Ca 0.07 -0.82 -0.09 0.00 -0.87 0.00 0.00 58.31 56.60 1wgq n LYS 69 Cb 0.45 -0.65 -0.11 0.00 0.02 0.00 0.00 35.03 34.75 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 -0.31 0.20 0.20 3.15 0.11 -1.26 -2.08 120.40 120.40 1wgq s VAL 70 Ca 0.01 -1.19 -0.02 0.00 -2.93 0.00 0.00 61.98 57.85 1wgq s VAL 70 Cb 0.00 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1wgq s VAL 70 CO 0.00 -0.62 0.14 0.72 -3.33 0.00 0.00 175.10 172.01 1wgq s PHE 71 N -2.13 1.08 0.08 1.54 -0.71 0.24 -2.26 117.98 115.81 1wgq s PHE 71 Ca -0.09 -1.32 0.09 0.00 -1.04 0.00 0.00 56.93 54.56 1wgq s PHE 71 Cb -0.05 -0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 41.22 1wgq s PHE 71 CO -0.03 -0.65 -0.23 -0.65 -1.34 0.00 0.00 175.22 172.32 1wgq s GLN 72 N -4.14 1.36 -0.55 1.99 -0.21 -0.89 0.68 119.66 117.91 1wgq s GLN 72 Ca 0.37 -1.12 -0.17 0.00 0.02 0.00 0.00 55.36 54.46 1wgq s GLN 72 Cb 0.07 -1.61 0.11 0.00 1.00 0.00 0.00 33.01 32.58 1wgq s GLN 72 CO 0.11 0.39 0.57 -1.17 -2.12 0.00 0.00 175.29 173.08 1wgq s LEU 73 N -1.60 5.80 0.35 2.90 2.96 0.45 -2.56 118.68 126.98 1wgq s LEU 73 Ca 0.09 -1.59 -0.18 0.00 -0.22 0.00 0.00 54.13 52.23 1wgq s LEU 73 Cb -0.10 -2.25 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 1wgq s LEU 73 CO 0.03 -0.94 0.82 -0.76 -1.32 0.00 0.00 176.35 174.19 1wgq s LEU 74 N 2.05 4.05 -0.34 -0.68 1.43 0.20 0.19 118.68 125.58 1wgq s LEU 74 Ca 0.07 1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.62 1wgq s LEU 74 Cb -0.27 -4.21 0.12 0.00 0.03 0.00 0.00 46.19 41.86 1wgq s LEU 74 CO 0.05 -0.24 0.17 -2.28 0.23 0.00 0.00 176.35 174.28 1wgq s HIS 75 N -2.01 0.94 0.00 0.29 5.65 0.23 0.19 115.29 120.58 1wgq s HIS 75 Ca 0.56 -1.53 0.00 0.00 0.25 0.00 0.00 55.06 54.34 1wgq s HIS 75 Cb -0.11 -1.18 0.00 0.00 -1.18 0.00 0.00 32.58 30.12 1wgq s HIS 75 CO 0.16 -0.83 0.00 1.63 -0.65 0.00 0.00 174.74 175.05 1wgq n LYS 76 N 4.47 0.00 0.00 2.88 5.02 -1.26 -3.28 118.16 125.99 1wgq n LYS 76 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1wgq n LYS 76 Cb 0.39 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 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 0.74 3.87 0.72 0.00 -1.26 -5.12 105.19 102.14 1wgq n GLY 77 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1wgq n GLY 77 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wgq s MET 78 N 0.00 3.69 0.28 1.61 0.00 -1.21 -4.99 119.30 118.68 1wgq s MET 78 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 55.69 55.49 1wgq s MET 78 Cb 0.00 -3.08 -0.10 0.00 0.00 0.00 0.00 34.83 31.65 1wgq s MET 78 CO 0.00 0.63 1.34 0.08 0.00 0.00 0.00 175.02 177.07 1wgq s VAL 79 N -1.28 2.80 -0.20 10.11 1.01 -1.26 0.78 120.40 132.35 1wgq s VAL 79 Ca 0.28 0.74 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 1wgq s VAL 79 Cb -0.14 -3.47 -0.12 0.00 0.00 0.00 0.00 36.38 32.65 1wgq s VAL 79 CO 0.15 0.15 -0.20 0.33 0.00 0.00 0.00 175.10 175.53 1wgq n PHE 80 N 1.55 0.00 -3.46 5.22 7.35 0.50 -4.83 117.46 123.80 1wgq n PHE 80 Ca 0.03 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.61 1wgq n PHE 80 Cb 0.42 -0.75 -0.02 0.00 0.35 0.00 0.00 39.48 39.47 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 -2.39 -0.49 -0.33 -5.13 2.02 -1.20 -4.85 117.35 104.99 1wgq s TYR 81 Ca -0.27 0.28 -0.10 0.00 -0.37 0.00 0.00 57.07 56.60 1wgq s TYR 81 Cb 0.08 0.56 0.00 0.00 -0.40 0.00 0.00 41.96 42.21 1wgq s TYR 81 CO 0.43 -0.82 0.18 0.08 -1.57 0.00 0.00 175.55 173.85 1wgq s VAL 82 N -3.65 4.65 -0.20 0.71 1.01 0.45 -0.41 120.40 122.96 1wgq s VAL 82 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1wgq s VAL 82 Cb -0.01 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1wgq s VAL 82 CO -0.11 -0.04 0.07 -0.36 0.00 0.00 0.00 175.10 174.65 1wgq s PHE 83 N 1.60 3.19 -0.03 5.22 0.08 0.22 -0.93 117.98 127.33 1wgq s PHE 83 Ca 0.04 -0.06 0.07 0.00 0.12 0.00 0.00 56.93 57.09 1wgq s PHE 83 Cb -0.18 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.12 1wgq s PHE 83 CO 0.07 -0.00 -0.22 0.21 -0.10 0.00 0.00 175.22 175.17 1wgq s LYS 84 N 0.77 2.27 0.20 0.44 2.20 -0.41 0.79 119.74 125.99 1wgq s LYS 84 Ca 0.04 -0.86 0.05 0.00 -0.36 0.00 0.00 55.97 54.84 1wgq s LYS 84 Cb -0.13 -2.15 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 1wgq s LYS 84 CO 0.02 0.56 0.20 0.00 -0.36 0.00 0.00 175.35 175.77 1wgq s ALA 85 N -0.60 3.67 0.04 3.13 0.00 -0.88 -1.97 121.76 125.14 1wgq s ALA 85 Ca 0.09 -1.25 -0.25 0.00 0.00 0.00 0.00 51.96 50.55 1wgq s ALA 85 Cb -0.10 -1.44 -0.14 0.00 0.00 0.00 0.00 23.12 21.44 1wgq s ALA 85 CO -0.00 0.40 1.37 -0.44 0.00 0.00 0.00 175.76 177.09 1wgq h ASP 86 N 1.96 -0.78 -2.32 0.00 5.19 -1.86 -3.44 116.42 115.17 1wgq h ASP 86 Ca -0.48 0.03 -0.51 0.00 -0.62 0.00 0.00 57.03 55.45 1wgq h ASP 86 Cb 1.21 0.21 -0.04 0.00 0.18 0.00 0.00 39.33 40.89 1wgq h ASP 86 CO 0.63 -0.53 -0.51 -1.81 -3.12 0.00 0.00 179.24 173.90 1wgq s ASP 87 N -3.34 5.77 0.09 6.45 1.01 -1.26 -5.03 116.67 120.36 1wgq s ASP 87 Ca -0.13 -0.12 -0.29 0.00 0.71 0.00 0.00 52.55 52.72 1wgq s ASP 87 Cb 0.01 -1.56 -0.13 0.00 1.01 0.00 0.00 42.92 42.25 1wgq s ASP 87 CO 0.39 -0.02 1.64 0.00 0.21 0.00 0.00 175.17 177.40 1wgq h ALA 88 N 1.65 -0.59 -0.91 5.23 0.00 -1.86 -2.39 119.26 120.39 1wgq h ALA 88 Ca -0.49 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.49 1wgq h ALA 88 Cb 1.23 0.36 -0.16 0.00 0.00 0.00 0.00 17.79 19.21 1wgq h ALA 88 CO 0.62 -0.85 -0.29 0.45 0.00 0.00 0.00 179.25 179.17 1wgq h HIS 89 N -0.59 -0.73 -0.46 0.00 3.86 -1.96 0.57 115.15 115.83 1wgq h HIS 89 Ca -0.02 0.09 0.09 0.00 -1.16 0.00 0.00 60.37 59.37 1wgq h HIS 89 Cb 0.52 0.46 -0.10 0.00 1.06 0.00 0.00 27.41 29.36 1wgq h HIS 89 CO -0.14 -0.40 -0.22 0.77 0.86 0.00 0.00 177.93 178.80 1wgq h SER 90 N -0.02 -0.76 -0.02 2.45 0.02 -1.85 -2.45 113.55 110.93 1wgq h SER 90 Ca 0.39 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1wgq h SER 90 Cb 0.64 0.41 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 1wgq h SER 90 CO -0.93 -0.25 -0.01 0.41 -1.14 0.00 0.00 176.83 174.91 1wgq n THR 91 N -5.40 -0.01 -0.34 -2.27 -1.04 0.20 -0.20 114.28 105.21 1wgq n THR 91 Ca 0.03 1.44 -0.09 0.00 -2.04 0.00 0.00 64.05 63.39 1wgq n THR 91 Cb 0.31 -1.92 -0.07 0.00 -1.82 0.00 0.00 70.33 66.83 1wgq n THR 91 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1wgq h GLN 92 N 0.00 -0.09 -0.54 -2.82 1.08 -1.30 0.52 115.11 111.95 1wgq h GLN 92 Ca 0.00 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1wgq h GLN 92 Cb 0.01 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.37 1wgq h GLN 92 CO -0.02 -0.06 -0.56 0.00 -0.95 0.00 0.00 178.83 177.24 1wgq h ARG 93 N -0.09 -0.30 0.05 1.46 3.08 -0.60 0.46 114.38 118.44 1wgq h ARG 93 Ca 0.18 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.27 1wgq h ARG 93 Cb 0.49 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1wgq h ARG 93 CO -0.86 -0.20 -0.45 -1.49 -1.07 0.00 0.00 179.97 175.90 1wgq h TRP 94 N -0.31 -1.28 -0.25 3.04 4.06 0.14 1.45 115.95 122.80 1wgq h TRP 94 Ca 0.09 0.04 0.02 0.00 2.06 0.00 0.00 58.89 61.11 1wgq h TRP 94 Cb 0.56 0.55 -0.03 0.00 -1.00 0.00 0.00 29.16 29.23 1wgq h TRP 94 CO -0.80 -0.53 -0.17 0.82 -3.56 0.00 0.00 178.44 174.20 1wgq h ILE 95 N -0.64 0.00 -0.82 1.49 2.04 0.15 1.47 117.51 121.21 1wgq h ILE 95 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 1wgq h ILE 95 Cb 0.69 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 1wgq h ILE 95 CO -0.30 0.00 0.43 -0.78 0.00 0.00 0.00 178.15 177.50 1wgq h ASP 96 N -0.03 0.54 -0.75 1.72 1.82 0.25 0.87 116.42 120.85 1wgq h ASP 96 Ca 0.04 0.08 0.10 0.00 -0.39 0.00 0.00 57.03 56.86 1wgq h ASP 96 Cb 0.14 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.06 1wgq h ASP 96 CO -0.25 0.26 0.39 0.00 -1.61 0.00 0.00 179.24 178.03 1wgq h ALA 97 N 1.52 1.05 0.00 -0.78 0.00 0.65 0.87 119.26 122.57 1wgq h ALA 97 Ca 0.43 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 55.18 1wgq h ALA 97 Cb 0.55 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wgq h ALA 97 CO -0.33 -0.00 -0.91 0.74 0.00 0.00 0.00 179.25 178.75 1wgq h PHE 98 N 0.66 0.45 0.56 0.00 0.04 0.46 -2.97 116.94 116.14 1wgq h PHE 98 Ca 0.37 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 1wgq h PHE 98 Cb 0.38 -0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.48 1wgq h PHE 98 CO -0.09 1.06 -0.27 1.96 -0.60 0.00 0.00 178.31 180.37 1wgq h GLN 99 N 0.17 -0.73 -0.28 1.51 1.08 0.20 -1.49 115.11 115.57 1wgq h GLN 99 Ca -0.06 0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1wgq h GLN 99 Cb 1.54 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 29.12 1wgq h GLN 99 CO 0.15 -0.43 0.42 0.93 -0.95 0.00 0.00 178.83 178.95 1wgq h GLU 100 N -1.11 0.00 0.03 1.46 5.08 0.60 0.83 114.58 121.46 1wgq h GLU 100 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1wgq h GLU 100 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wgq h GLU 100 CO 0.13 0.00 -0.01 0.78 -1.00 0.00 0.00 179.01 178.90 1wgq h GLY 101 N 0.00 -0.04 1.88 -3.84 0.00 -1.33 -3.28 103.07 96.46 1wgq h GLY 101 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1wgq h GLY 101 CO -0.00 -0.01 -0.07 -0.91 0.00 0.00 0.00 176.54 175.55 1wgq h THR 102 N -0.83 1.12 -3.35 4.70 1.35 0.02 -3.44 112.91 112.48 1wgq h THR 102 Ca -0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1wgq h THR 102 Cb 0.73 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1wgq h THR 102 CO 0.01 0.15 0.00 1.33 -0.25 0.00 0.00 175.52 176.76 1wgq n VAL 103 N -4.37 0.00 -3.34 6.82 0.24 0.10 -4.53 118.33 113.25 1wgq n VAL 103 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 1wgq n VAL 103 Cb 0.20 -1.15 -0.07 0.00 -1.47 0.00 0.00 33.84 31.34 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 0.84 0.75 -1.34 0.01 -1.26 -4.87 113.70 106.83 1wgq s SER 104 Ca 0.00 -0.77 -0.13 0.00 1.31 0.00 0.00 55.95 56.37 1wgq s SER 104 Cb 0.00 0.86 0.05 0.00 0.21 0.00 0.00 66.02 67.14 1wgq s SER 104 CO 0.00 -0.34 1.13 -0.83 0.41 0.00 0.00 173.24 173.62 1wgq s GLY 105 N 2.22 1.97 -0.73 3.44 0.00 -1.26 -4.85 107.32 108.11 1wgq s GLY 105 Ca 0.11 0.55 -0.06 0.00 0.00 0.00 0.00 44.72 45.32 1wgq s GLY 105 CO -0.24 0.92 2.63 -1.55 0.00 0.00 0.00 173.10 174.86 1wgq n PRO 106 N -3.13 2.27 -3.80 2.90 -0.04 -1.26 -4.81 135.00 127.12 1wgq n PRO 106 Ca 0.11 -1.37 -0.37 0.00 -0.04 0.00 0.00 63.50 61.84 1wgq n PRO 106 Cb 0.52 -2.31 -0.13 0.00 -0.04 0.00 0.00 33.50 31.54 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 2.62 4.92 0.08 3.54 0.01 -1.26 -4.92 113.70 118.69 1wgq s SER 107 Ca 0.52 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1wgq s SER 107 Cb 0.18 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1wgq s SER 107 CO -0.03 -0.14 0.00 -0.24 0.41 0.00 0.00 173.24 173.24 1wgq n SER 108 N 4.84 0.80 0.00 2.44 2.88 -1.26 -5.21 113.62 118.11 1wgq n SER 108 Ca -0.15 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1wgq n SER 108 Cb 0.49 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1wgq n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42