#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 1.84 0.00 1.61 7.64 -1.26 -5.12 113.62 118.33 1wgq n SER 2 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1wgq n SER 2 Cb 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1wgq n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgq n SER 3 N -4.33 0.00 0.00 6.43 2.88 -1.26 -5.18 113.62 112.16 1wgq n SER 3 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1wgq n SER 3 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1wgq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgq n GLY 4 N -0.00 0.83 3.21 0.46 0.00 -1.26 -5.13 105.19 103.30 1wgq n GLY 4 Ca 0.00 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.65 0.28 0.13 1.61 1.04 -1.26 -5.07 113.70 109.78 1wgq s SER 5 Ca 0.00 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1wgq s SER 5 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1wgq s SER 5 CO 0.00 -0.82 0.00 -1.20 0.98 0.00 0.00 173.24 172.20 1wgq n SER 6 N -0.28 -0.67 0.00 7.02 7.64 -1.26 -5.13 113.62 120.94 1wgq n SER 6 Ca 0.01 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1wgq n SER 6 Cb 0.66 0.80 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 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 0.29 1.34 3.37 0.23 0.00 -1.26 -5.05 105.19 104.11 1wgq n GLY 7 Ca 0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.26 0.29 1.61 7.64 -1.26 -4.91 113.62 114.73 1wgq n SER 8 Ca 0.00 0.48 -0.16 0.00 1.01 0.00 0.00 58.87 60.20 1wgq n SER 8 Cb 0.00 -1.12 -0.08 0.00 -1.01 0.00 0.00 64.21 61.99 1wgq n SER 8 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1wgq h THR 9 N -0.71 0.43 -1.74 0.44 1.35 -1.97 -3.47 112.91 107.23 1wgq h THR 9 Ca -0.44 -0.24 0.03 0.00 -0.55 0.00 0.00 66.41 65.21 1wgq h THR 9 Cb 1.33 0.52 -0.21 0.00 -1.73 0.00 0.00 68.15 68.06 1wgq h THR 9 CO 0.38 0.04 0.41 -0.04 -0.25 0.00 0.00 175.52 176.06 1wgq s MET 10 N -5.40 0.77 -0.28 4.72 1.00 -1.26 -5.04 119.30 113.81 1wgq s MET 10 Ca -0.16 0.17 -0.29 0.00 0.00 0.00 0.00 55.69 55.42 1wgq s MET 10 Cb 0.03 0.36 0.19 0.00 0.00 0.00 0.00 34.83 35.41 1wgq s MET 10 CO 0.57 -0.24 1.36 -1.54 0.00 0.00 0.00 175.02 175.16 1wgq s SER 11 N -1.18 -0.05 0.00 3.03 1.04 -1.26 -2.43 113.70 112.85 1wgq s SER 11 Ca -0.05 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1wgq s SER 11 Cb -0.00 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1wgq s SER 11 CO 0.04 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1wgq n GLY 12 N 0.68 3.82 3.74 7.32 0.00 -1.14 -5.04 105.19 114.57 1wgq n GLY 12 Ca -0.02 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 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 3.11 0.06 1.61 2.02 -1.26 -3.16 117.35 117.73 1wgq s TYR 13 Ca 0.00 1.06 0.02 0.00 -0.37 0.00 0.00 57.07 57.78 1wgq s TYR 13 Cb 0.00 -3.75 -0.03 0.00 -0.40 0.00 0.00 41.96 37.78 1wgq s TYR 13 CO 0.00 -2.44 -0.07 -0.51 -1.57 0.00 0.00 175.55 170.96 1wgq s LEU 14 N -0.14 2.32 -0.38 -1.29 1.43 0.18 -4.92 118.68 115.89 1wgq s LEU 14 Ca 0.59 -0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 1wgq s LEU 14 Cb -0.40 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1wgq s LEU 14 CO 0.40 -0.28 0.48 -0.31 0.23 0.00 0.00 176.35 176.87 1wgq s TYR 15 N -1.97 3.17 0.00 0.29 2.02 -1.25 -1.83 117.35 117.77 1wgq s TYR 15 Ca -0.04 -0.03 -0.15 0.00 -0.37 0.00 0.00 57.07 56.48 1wgq s TYR 15 Cb -0.06 -2.91 -0.06 0.00 -0.40 0.00 0.00 41.96 38.53 1wgq s TYR 15 CO -0.01 -0.60 0.41 0.50 -1.57 0.00 0.00 175.55 174.29 1wgq s ARG 16 N 2.30 3.93 0.18 -0.62 3.52 0.07 -1.98 118.95 126.36 1wgq s ARG 16 Ca 0.16 0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 56.15 1wgq s ARG 16 Cb -0.16 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1wgq s ARG 16 CO 0.14 0.69 0.18 -1.54 -0.81 0.00 0.00 175.30 173.95 1wgq s SER 17 N -1.07 0.14 -0.25 -2.12 1.04 -1.00 -0.78 113.70 109.66 1wgq s SER 17 Ca 0.24 -1.21 0.13 0.00 0.48 0.00 0.00 55.95 55.59 1wgq s SER 17 Cb -0.17 0.39 0.69 0.00 0.10 0.00 0.00 66.02 67.04 1wgq s SER 17 CO 0.14 -0.86 1.65 0.29 0.98 0.00 0.00 173.24 175.44 1wgq n LYS 18 N -0.23 3.69 0.00 4.02 5.02 -1.26 0.14 118.16 129.53 1wgq n LYS 18 Ca -0.02 -3.05 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 1wgq n LYS 18 Cb 0.64 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 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 -0.12 0.63 3.86 0.72 0.00 -1.26 -4.93 105.19 104.08 1wgq n GLY 19 Ca 0.31 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 1wgq n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq s SER 20 N -4.00 6.73 0.00 1.61 0.01 -1.26 -3.63 113.70 113.15 1wgq s SER 20 Ca 0.00 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.42 1wgq s SER 20 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1wgq s SER 20 CO 0.00 -0.16 0.00 0.29 0.41 0.00 0.00 173.24 173.78 1wgq n LYS 21 N -0.27 -0.04 -3.92 12.44 5.02 -1.26 -5.00 118.16 125.13 1wgq n LYS 21 Ca 0.02 0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.07 1wgq n LYS 21 Cb 0.53 -2.87 -0.03 0.00 -0.02 0.00 0.00 35.03 32.64 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 3.45 0.55 1.97 -0.14 -1.24 -5.09 119.74 119.07 1wgq s LYS 22 Ca 0.00 -0.61 -0.17 0.00 -1.36 0.00 0.00 55.97 53.83 1wgq s LYS 22 Cb 0.00 -2.94 -0.05 0.00 -1.68 0.00 0.00 37.83 33.16 1wgq s LYS 22 CO 0.00 0.49 1.05 -1.25 -0.76 0.00 0.00 175.35 174.87 1wgq s PRO 23 N -3.43 3.52 0.37 -1.68 0.04 -1.26 -4.89 135.00 127.67 1wgq s PRO 23 Ca 0.35 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 1wgq s PRO 23 Cb -0.11 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1wgq s PRO 23 CO 0.29 -0.65 0.63 -1.58 0.04 0.00 0.00 177.00 175.72 1wgq s TRP 24 N -2.33 3.51 -0.07 0.56 0.52 -1.26 -4.46 118.94 115.40 1wgq s TRP 24 Ca 0.64 0.59 -0.01 0.00 0.02 0.00 0.00 56.10 57.34 1wgq s TRP 24 Cb -0.16 -2.09 0.03 0.00 -1.15 0.00 0.00 33.47 30.10 1wgq s TRP 24 CO 0.31 0.01 0.00 0.15 0.02 0.00 0.00 176.95 177.45 1wgq s LYS 25 N -4.21 0.62 -0.51 4.98 1.02 0.04 -4.89 119.74 116.80 1wgq s LYS 25 Ca 0.44 0.10 -0.29 0.00 0.02 0.00 0.00 55.97 56.24 1wgq s LYS 25 Cb -0.10 -0.98 0.03 0.00 -0.52 0.00 0.00 37.83 36.26 1wgq s LYS 25 CO 0.37 -0.30 1.19 -1.58 -0.92 0.00 0.00 175.35 174.11 1wgq s HIS 26 N 1.97 2.69 0.24 3.18 5.65 -1.26 -0.75 115.29 127.00 1wgq s HIS 26 Ca 0.05 0.61 0.01 0.00 0.25 0.00 0.00 55.06 55.97 1wgq s HIS 26 Cb -0.12 -4.46 -0.05 0.00 -1.18 0.00 0.00 32.58 26.77 1wgq s HIS 26 CO -0.05 -1.47 0.10 -0.51 -0.65 0.00 0.00 174.74 172.16 1wgq s LEU 27 N 4.77 1.51 -0.15 8.88 1.43 -0.76 -4.98 118.68 129.37 1wgq s LEU 27 Ca 0.48 -1.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.17 1wgq s LEU 27 Cb -0.08 0.13 -0.03 0.00 0.03 0.00 0.00 46.19 46.25 1wgq s LEU 27 CO 0.30 -0.76 -0.04 0.86 0.23 0.00 0.00 176.35 176.94 1wgq s TRP 28 N -3.88 3.02 -0.03 0.29 -0.11 -0.98 -0.64 118.94 116.61 1wgq s TRP 28 Ca 0.38 -0.29 0.03 0.00 1.22 0.00 0.00 56.10 57.44 1wgq s TRP 28 Cb 0.08 -1.95 0.00 0.00 -1.50 0.00 0.00 33.47 30.10 1wgq s TRP 28 CO 0.13 -0.02 -0.11 -0.06 -4.62 0.00 0.00 176.95 172.27 1wgq s PHE 29 N 0.31 1.13 0.13 5.86 0.08 -1.19 0.38 117.98 124.67 1wgq s PHE 29 Ca -0.04 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.78 1wgq s PHE 29 Cb -0.14 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.48 1wgq s PHE 29 CO 0.03 -0.11 -0.15 0.08 -0.10 0.00 0.00 175.22 174.97 1wgq s VAL 30 N 0.16 1.40 -0.60 -0.44 1.01 -1.12 -2.88 120.40 117.91 1wgq s VAL 30 Ca -0.03 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.21 1wgq s VAL 30 Cb -0.09 -1.58 0.15 0.00 0.00 0.00 0.00 36.38 34.87 1wgq s VAL 30 CO 0.01 -0.40 0.39 -0.63 0.00 0.00 0.00 175.10 174.47 1wgq s ILE 31 N -2.12 3.23 -0.02 2.22 1.01 -1.02 -1.45 121.20 123.05 1wgq s ILE 31 Ca 0.10 -3.26 0.06 0.00 0.00 0.00 0.00 60.65 57.55 1wgq s ILE 31 Cb -0.05 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 1wgq s ILE 31 CO 0.03 -0.87 -0.21 -0.75 0.00 0.00 0.00 174.94 173.15 1wgq s LYS 32 N -0.34 2.24 -1.55 2.79 2.20 -0.65 -4.46 119.74 119.96 1wgq s LYS 32 Ca 0.18 -0.86 -0.13 0.00 -0.36 0.00 0.00 55.97 54.80 1wgq s LYS 32 Cb -0.21 -2.18 0.09 0.00 -1.51 0.00 0.00 37.83 34.02 1wgq s LYS 32 CO -0.03 0.58 0.89 -1.71 -0.36 0.00 0.00 175.35 174.72 1wgq n ASN 33 N 2.25 -3.99 -1.53 1.43 2.85 -1.26 0.13 115.26 115.13 1wgq n ASN 33 Ca -0.17 -0.85 -0.13 0.00 -0.11 0.00 0.00 54.58 53.33 1wgq n ASN 33 Cb 0.52 -3.60 -0.05 0.00 1.24 0.00 0.00 39.78 37.88 1wgq n ASN 33 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1wgq n LYS 34 N -4.58 -1.41 -4.71 1.20 4.81 -1.26 -4.89 118.16 107.32 1wgq n LYS 34 Ca 0.01 0.76 -0.33 0.00 -0.87 0.00 0.00 58.31 57.88 1wgq n LYS 34 Cb 0.54 -5.06 -0.15 0.00 0.02 0.00 0.00 35.03 30.37 1wgq n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1wgq s VAL 35 N -2.20 2.72 -0.87 3.15 1.01 0.35 -1.08 120.40 123.49 1wgq s VAL 35 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1wgq s VAL 35 Cb 0.00 -2.13 0.06 0.00 0.00 0.00 0.00 36.38 34.30 1wgq s VAL 35 CO 0.00 0.52 1.29 -0.22 0.00 0.00 0.00 175.10 176.69 1wgq s LEU 36 N 0.59 3.69 0.46 3.92 1.98 0.44 -1.63 118.68 128.14 1wgq s LEU 36 Ca -0.09 -1.13 -0.18 0.00 -2.89 0.00 0.00 54.13 49.83 1wgq s LEU 36 Cb -0.16 -2.53 -0.09 0.00 0.66 0.00 0.00 46.19 44.07 1wgq s LEU 36 CO 0.03 -1.56 0.95 -0.31 -1.89 0.00 0.00 176.35 173.57 1wgq s TYR 37 N 4.83 3.38 -0.09 5.38 2.02 -0.52 -2.51 117.35 129.83 1wgq s TYR 37 Ca 0.38 1.51 -0.02 0.00 -0.37 0.00 0.00 57.07 58.56 1wgq s TYR 37 Cb -0.05 -2.79 -0.03 0.00 -0.40 0.00 0.00 41.96 38.68 1wgq s TYR 37 CO 0.01 -0.21 0.01 0.99 -1.57 0.00 0.00 175.55 174.78 1wgq s THR 38 N -2.37 4.37 0.24 -0.71 2.01 0.19 -2.80 115.64 116.57 1wgq s THR 38 Ca 0.60 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.40 1wgq s THR 38 Cb -0.09 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 1wgq s THR 38 CO 0.22 0.60 0.26 -1.22 -0.69 0.00 0.00 174.62 173.79 1wgq n TYR 39 N 2.19 -0.82 0.00 4.92 4.01 0.16 0.13 117.16 127.75 1wgq n TYR 39 Ca -0.19 -1.87 0.00 0.00 -0.16 0.00 0.00 57.90 55.69 1wgq n TYR 39 Cb 0.54 0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 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 -1.36 2.61 -2.52 -0.72 0.00 -1.26 -2.32 120.51 114.94 1wgq n ALA 40 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1wgq n ALA 40 Cb 0.43 0.24 -0.07 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.80 3.48 -0.02 0.00 0.00 -1.26 -4.14 121.76 118.02 1wgq s ALA 41 Ca 0.00 -1.85 -0.25 0.00 0.00 0.00 0.00 51.96 49.86 1wgq s ALA 41 Cb 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 23.12 22.24 1wgq s ALA 41 CO 0.00 0.03 1.24 0.66 0.00 0.00 0.00 175.76 177.69 1wgq h SER 42 N 1.56 0.11 -1.57 0.00 4.64 -1.99 -3.24 113.55 113.06 1wgq h SER 42 Ca -0.44 -0.53 -0.72 0.00 -0.47 0.00 0.00 61.79 59.63 1wgq h SER 42 Cb 1.25 -0.03 -0.29 0.00 -0.31 0.00 0.00 62.40 63.02 1wgq h SER 42 CO 0.64 0.62 0.85 -0.62 -0.87 0.00 0.00 176.83 177.44 1wgq n GLU 43 N -4.75 2.79 -0.50 4.77 1.02 -1.26 -5.01 120.64 117.70 1wgq n GLU 43 Ca -0.08 -3.51 -0.29 0.00 -0.02 0.00 0.00 57.16 53.26 1wgq n GLU 43 Cb 0.30 -2.28 0.25 0.00 -0.02 0.00 0.00 31.44 29.70 1wgq n GLU 43 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1wgq n ASP 44 N -0.68 -2.13 -0.01 1.62 5.68 -1.22 -4.95 116.55 114.86 1wgq n ASP 44 Ca 0.56 -0.23 0.08 0.00 -0.50 0.00 0.00 54.79 54.71 1wgq n ASP 44 Cb 0.43 -1.16 -0.12 0.00 -1.14 0.00 0.00 41.12 39.13 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 -4.96 0.00 -3.54 2.12 0.24 -1.26 -5.00 118.33 105.93 1wgq n VAL 45 Ca 0.02 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 1wgq n VAL 45 Cb 0.56 0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 33.23 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 -1.84 0.29 2.33 0.00 -1.26 -5.15 121.76 113.11 1wgq s ALA 46 Ca -0.03 1.42 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 1wgq s ALA 46 Cb 0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 1wgq s ALA 46 CO 0.70 -0.36 0.99 0.00 0.00 0.00 0.00 175.76 177.09 1wgq s ALA 47 N -1.27 3.30 0.17 0.00 0.00 -1.26 -4.85 121.76 117.86 1wgq s ALA 47 Ca -0.06 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.48 1wgq s ALA 47 Cb -0.00 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.93 1wgq s ALA 47 CO 0.05 0.07 1.58 -0.07 0.00 0.00 0.00 175.76 177.38 1wgq h LEU 48 N 3.66 0.99 -8.05 0.00 3.38 0.75 -3.47 115.31 112.57 1wgq h LEU 48 Ca -0.46 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.10 1wgq h LEU 48 Cb 1.20 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 1wgq h LEU 48 CO 0.66 1.15 -0.09 -1.61 0.09 0.00 0.00 178.44 178.64 1wgq s GLU 49 N -4.70 1.45 -0.07 1.13 2.02 -1.16 -4.96 118.70 112.41 1wgq s GLU 49 Ca -0.11 -1.12 -0.03 0.00 0.02 0.00 0.00 54.97 53.73 1wgq s GLU 49 Cb 0.13 0.48 0.04 0.00 0.10 0.00 0.00 34.13 34.88 1wgq s GLU 49 CO 0.86 -0.60 0.13 -1.54 0.02 0.00 0.00 175.26 174.13 1wgq s SER 50 N -2.96 0.92 -0.03 -0.19 1.04 -1.26 0.55 113.70 111.76 1wgq s SER 50 Ca 0.17 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.84 1wgq s SER 50 Cb -0.00 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1wgq s SER 50 CO 0.04 -0.25 -0.05 -1.10 0.98 0.00 0.00 173.24 172.87 1wgq s GLN 51 N 2.25 0.73 0.06 4.02 -1.52 -1.05 -5.00 119.66 119.15 1wgq s GLN 51 Ca 0.04 -0.13 -0.30 0.00 -1.95 0.00 0.00 55.36 53.02 1wgq s GLN 51 Cb -0.12 -0.74 -0.05 0.00 -0.22 0.00 0.00 33.01 31.88 1wgq s GLN 51 CO -0.05 -0.03 1.17 -1.25 -0.25 0.00 0.00 175.29 174.88 1wgq s PRO 52 N 0.66 4.45 0.57 2.91 0.04 -1.26 0.17 135.00 142.54 1wgq s PRO 52 Ca -0.09 1.72 0.35 0.00 0.04 0.00 0.00 61.00 63.02 1wgq s PRO 52 Cb -0.12 -3.36 1.60 0.00 0.04 0.00 0.00 34.50 32.66 1wgq s PRO 52 CO 0.00 -0.22 2.08 -0.07 0.04 0.00 0.00 177.00 178.83 1wgq h LEU 53 N 6.76 0.00 -9.57 -3.56 3.38 -1.42 -3.42 115.31 107.48 1wgq h LEU 53 Ca -0.42 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.03 1wgq h LEU 53 Cb 1.21 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.01 1wgq h LEU 53 CO 0.80 0.04 1.08 -0.11 0.09 0.00 0.00 178.44 180.33 1wgq n LEU 54 N -3.19 4.05 0.00 1.67 0.00 -1.26 -1.65 117.00 116.62 1wgq n LEU 54 Ca -0.01 1.02 0.00 0.00 0.00 0.00 0.00 56.01 57.02 1wgq n LEU 54 Cb 0.25 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 42.11 1wgq n LEU 54 CO 0.26 0.19 0.00 0.61 0.00 0.00 0.00 177.39 178.45 1wgq n GLY 55 N 4.14 3.07 2.41 -3.96 0.00 -1.24 -5.00 105.19 104.61 1wgq n GLY 55 Ca 0.17 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.47 -3.96 1.61 3.01 -0.66 -3.80 117.46 110.19 1wgq n PHE 56 Ca 0.00 -0.65 -0.09 0.00 1.01 0.00 0.00 57.45 57.72 1wgq n PHE 56 Cb 0.00 -0.87 -0.04 0.00 -0.01 0.00 0.00 39.48 38.56 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 0.08 4.37 2.01 0.51 -4.72 115.64 115.80 1wgq s THR 57 Ca 0.50 -1.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 1wgq s THR 57 Cb -0.07 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1wgq s THR 57 CO 0.40 0.00 0.21 -0.69 -0.69 0.00 0.00 174.62 173.85 1wgq s VAL 58 N -3.95 0.13 -0.24 3.82 1.01 -1.26 0.86 120.40 120.76 1wgq s VAL 58 Ca 0.20 -1.06 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1wgq s VAL 58 Cb -0.02 -1.21 0.09 0.00 0.00 0.00 0.00 36.38 35.24 1wgq s VAL 58 CO 0.09 -0.58 0.85 0.28 0.00 0.00 0.00 175.10 175.73 1wgq s THR 59 N -3.48 0.00 0.28 3.92 -1.32 -1.12 -4.88 115.64 109.04 1wgq s THR 59 Ca 0.02 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.21 1wgq s THR 59 Cb 0.03 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.92 1wgq s THR 59 CO -0.09 0.00 1.19 -0.22 -2.21 0.00 0.00 174.62 173.29 1wgq s LEU 60 N 0.05 4.49 -0.03 9.08 1.98 -1.26 -2.11 118.68 130.88 1wgq s LEU 60 Ca -0.00 2.42 0.06 0.00 -2.89 0.00 0.00 54.13 53.72 1wgq s LEU 60 Cb -0.04 -3.63 -0.01 0.00 0.66 0.00 0.00 46.19 43.17 1wgq s LEU 60 CO -0.01 -0.32 -0.20 0.54 -1.89 0.00 0.00 176.35 174.47 1wgq s VAL 61 N -0.99 1.66 0.13 1.68 0.11 -1.11 -4.94 120.40 116.94 1wgq s VAL 61 Ca 0.47 -0.87 -0.15 0.00 -2.93 0.00 0.00 61.98 58.51 1wgq s VAL 61 Cb -0.35 -1.39 -0.01 0.00 -1.53 0.00 0.00 36.38 33.09 1wgq s VAL 61 CO 0.45 0.47 1.59 0.07 -3.33 0.00 0.00 175.10 174.34 1wgq h LYS 62 N 5.90 0.71 -2.21 1.54 5.09 -1.86 -3.40 116.57 122.34 1wgq h LYS 62 Ca -0.36 -0.21 0.24 0.00 0.09 0.00 0.00 60.65 60.41 1wgq h LYS 62 Cb 1.16 -0.07 -0.07 0.00 0.10 0.00 0.00 32.23 33.34 1wgq h LYS 62 CO 0.48 0.78 -0.42 -3.47 -2.09 0.00 0.00 179.45 174.73 1wgq n ASP 63 N -4.46 -5.47 -0.00 7.07 -0.08 -1.26 -3.56 116.55 108.78 1wgq n ASP 63 Ca -0.01 0.47 0.06 0.00 -1.51 0.00 0.00 54.79 53.80 1wgq n ASP 63 Cb 0.27 -3.17 -0.09 0.00 2.34 0.00 0.00 41.12 40.47 1wgq n ASP 63 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1wgq n GLU 64 N -3.08 0.78 0.06 -0.67 0.28 -1.26 -4.51 120.64 112.24 1wgq n GLU 64 Ca -0.00 -0.10 -0.21 0.00 -0.16 0.00 0.00 57.16 56.69 1wgq n GLU 64 Cb 0.61 -1.26 -0.14 0.00 1.43 0.00 0.00 31.44 32.08 1wgq n GLU 64 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1wgq h ASN 65 N 0.00 0.64 -2.72 -1.84 -0.73 -2.00 -3.47 115.58 105.47 1wgq h ASN 65 Ca 0.00 -0.87 -0.03 0.00 1.87 0.00 0.00 56.30 57.27 1wgq h ASN 65 Cb 0.53 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 1wgq h ASN 65 CO 0.00 1.45 -0.03 -1.20 -0.37 0.00 0.00 177.43 177.29 1wgq n SER 66 N -4.01 1.20 -0.02 1.15 7.64 -1.26 -5.08 113.62 113.24 1wgq n SER 66 Ca -0.13 -1.12 -0.02 0.00 1.01 0.00 0.00 58.87 58.60 1wgq n SER 66 Cb 0.87 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 64.10 1wgq n SER 66 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1wgq n GLU 67 N -0.06 1.36 -0.98 1.43 0.28 -1.23 -4.33 120.64 117.10 1wgq n GLU 67 Ca -0.01 0.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.95 1wgq n GLU 67 Cb 0.03 -1.07 -0.05 0.00 1.43 0.00 0.00 31.44 31.79 1wgq n GLU 67 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wgq n SER 68 N -2.42 -0.84 -0.66 -1.84 2.88 -1.26 -4.29 113.62 105.19 1wgq n SER 68 Ca -0.05 -1.66 0.08 0.00 -1.33 0.00 0.00 58.87 55.91 1wgq n SER 68 Cb 0.57 0.26 0.21 0.00 -0.75 0.00 0.00 64.21 64.50 1wgq n SER 68 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wgq n LYS 69 N -0.06 2.61 -3.81 -1.46 5.02 -1.26 -4.69 118.16 114.51 1wgq n LYS 69 Ca -0.23 -2.61 -0.12 0.00 -2.02 0.00 0.00 58.31 53.33 1wgq n LYS 69 Cb 0.63 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.48 0.02 0.38 -0.18 0.11 -1.26 -1.39 120.40 115.60 1wgq s VAL 70 Ca 0.35 -0.20 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 1wgq s VAL 70 Cb 0.28 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.73 1wgq s VAL 70 CO 0.08 -0.11 0.16 0.72 -3.33 0.00 0.00 175.10 172.63 1wgq s PHE 71 N -0.35 1.76 0.04 1.54 -0.71 -0.59 -2.76 117.98 116.91 1wgq s PHE 71 Ca -0.05 -1.37 0.05 0.00 -1.04 0.00 0.00 56.93 54.53 1wgq s PHE 71 Cb -0.03 -1.03 -0.02 0.00 -1.21 0.00 0.00 43.02 40.72 1wgq s PHE 71 CO 0.01 -0.44 -0.16 -0.65 -1.34 0.00 0.00 175.22 172.65 1wgq s GLN 72 N -3.67 1.04 -0.81 1.99 -0.21 -0.90 -1.67 119.66 115.43 1wgq s GLN 72 Ca 0.29 -0.81 -0.18 0.00 0.02 0.00 0.00 55.36 54.68 1wgq s GLN 72 Cb 0.03 -1.07 0.14 0.00 1.00 0.00 0.00 33.01 33.11 1wgq s GLN 72 CO 0.17 0.27 0.92 -1.17 -2.12 0.00 0.00 175.29 173.36 1wgq s LEU 73 N -1.17 5.55 0.51 2.90 2.96 0.21 -2.81 118.68 126.84 1wgq s LEU 73 Ca 0.03 -2.01 -0.18 0.00 -0.22 0.00 0.00 54.13 51.75 1wgq s LEU 73 Cb -0.08 -2.33 -0.08 0.00 0.50 0.00 0.00 46.19 44.20 1wgq s LEU 73 CO 0.01 -0.97 0.99 -0.76 -1.32 0.00 0.00 176.35 174.31 1wgq s LEU 74 N 2.09 3.68 -0.24 -0.68 1.43 0.25 0.10 118.68 125.32 1wgq s LEU 74 Ca 0.23 1.66 -0.03 0.00 -1.03 0.00 0.00 54.13 54.95 1wgq s LEU 74 Cb -0.11 -4.52 0.08 0.00 0.03 0.00 0.00 46.19 41.66 1wgq s LEU 74 CO -0.05 -0.64 0.09 -2.28 0.23 0.00 0.00 176.35 173.70 1wgq s HIS 75 N -2.46 0.73 0.00 0.29 5.65 0.35 0.19 115.29 120.04 1wgq s HIS 75 Ca 0.61 -0.91 0.00 0.00 0.25 0.00 0.00 55.06 55.01 1wgq s HIS 75 Cb -0.11 -1.04 0.00 0.00 -1.18 0.00 0.00 32.58 30.25 1wgq s HIS 75 CO 0.28 -0.71 0.00 1.63 -0.65 0.00 0.00 174.74 175.28 1wgq n LYS 76 N 5.13 0.00 -1.07 2.88 5.02 -1.25 -2.56 118.16 126.32 1wgq n LYS 76 Ca -0.06 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1wgq n LYS 76 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 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 0.00 -0.75 3.46 0.72 0.00 -1.26 -5.03 105.19 102.32 1wgq n GLY 77 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1wgq n GLY 77 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wgq s MET 78 N 0.00 0.85 0.30 1.61 0.23 -1.06 -5.15 119.30 116.08 1wgq s MET 78 Ca 0.00 0.39 -0.29 0.00 -1.03 0.00 0.00 55.69 54.76 1wgq s MET 78 Cb 0.00 0.40 -0.10 0.00 -1.53 0.00 0.00 34.83 33.61 1wgq s MET 78 CO -0.00 -0.21 1.23 0.08 -2.03 0.00 0.00 175.02 174.09 1wgq s VAL 79 N -0.64 3.06 -0.05 5.16 1.01 -1.26 0.13 120.40 127.81 1wgq s VAL 79 Ca -0.07 1.04 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1wgq s VAL 79 Cb -0.03 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1wgq s VAL 79 CO 0.05 0.24 -0.02 0.33 0.00 0.00 0.00 175.10 175.70 1wgq n PHE 80 N 1.15 0.00 -3.53 5.22 7.35 0.12 -4.84 117.46 122.92 1wgq n PHE 80 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1wgq n PHE 80 Cb 0.43 -0.22 -0.03 0.00 0.35 0.00 0.00 39.48 40.01 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 -2.11 -0.35 0.25 -5.13 2.02 -1.21 -4.93 117.35 105.89 1wgq s TYR 81 Ca -0.05 0.33 0.06 0.00 -0.37 0.00 0.00 57.07 57.03 1wgq s TYR 81 Cb 0.02 0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 42.06 1wgq s TYR 81 CO 0.16 -0.48 0.32 0.08 -1.57 0.00 0.00 175.55 174.05 1wgq s VAL 82 N -2.56 4.94 -0.19 0.71 1.01 0.12 0.67 120.40 125.10 1wgq s VAL 82 Ca 0.03 -1.11 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 1wgq s VAL 82 Cb -0.01 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.75 1wgq s VAL 82 CO -0.06 -0.32 0.43 -0.36 0.00 0.00 0.00 175.10 174.79 1wgq s PHE 83 N -2.04 -0.74 0.34 5.22 0.08 -0.67 -2.38 117.98 117.79 1wgq s PHE 83 Ca 0.34 1.48 -0.01 0.00 0.12 0.00 0.00 56.93 58.86 1wgq s PHE 83 Cb -0.09 0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 42.64 1wgq s PHE 83 CO 0.28 -0.43 0.56 0.21 -0.10 0.00 0.00 175.22 175.73 1wgq s LYS 84 N 2.07 3.51 0.08 0.44 2.36 -0.84 -1.54 119.74 125.83 1wgq s LYS 84 Ca -0.05 -0.25 0.06 0.00 -2.55 0.00 0.00 55.97 53.18 1wgq s LYS 84 Cb -0.10 -2.65 -0.03 0.00 -1.05 0.00 0.00 37.83 34.00 1wgq s LYS 84 CO -0.13 0.15 -0.15 0.00 1.55 0.00 0.00 175.35 176.76 1wgq s ALA 85 N -2.28 1.29 0.04 3.13 0.00 -0.49 -4.12 121.76 119.33 1wgq s ALA 85 Ca 0.41 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1wgq s ALA 85 Cb -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1wgq s ALA 85 CO 0.35 0.20 1.18 0.22 0.00 0.00 0.00 175.76 177.71 1wgq h ASP 86 N 4.23 -0.61 -4.70 0.00 1.82 -1.91 -3.45 116.42 111.80 1wgq h ASP 86 Ca -0.42 0.08 -0.52 0.00 -0.39 0.00 0.00 57.03 55.78 1wgq h ASP 86 Cb 1.19 0.24 -0.11 0.00 0.68 0.00 0.00 39.33 41.33 1wgq h ASP 86 CO 0.40 -0.14 -0.42 -0.67 -1.61 0.00 0.00 179.24 176.80 1wgq n ASP 87 N -3.57 1.65 0.48 2.28 2.03 -1.26 -5.04 116.55 113.12 1wgq n ASP 87 Ca -0.01 -2.98 -0.20 0.00 0.52 0.00 0.00 54.79 52.12 1wgq n ASP 87 Cb 0.12 0.80 -0.10 0.00 -0.72 0.00 0.00 41.12 41.22 1wgq n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wgq h ALA 88 N 1.53 -1.24 -0.96 -1.67 0.00 -1.87 -1.61 119.26 113.44 1wgq h ALA 88 Ca -0.31 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.49 1wgq h ALA 88 Cb 1.11 0.50 -0.16 0.00 0.00 0.00 0.00 17.79 19.24 1wgq h ALA 88 CO 0.49 -1.20 -0.37 0.45 0.00 0.00 0.00 179.25 178.62 1wgq h HIS 89 N -1.23 -1.02 0.11 0.00 3.86 -1.97 0.20 115.15 115.09 1wgq h HIS 89 Ca -0.12 0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1wgq h HIS 89 Cb 0.95 0.59 -0.05 0.00 1.06 0.00 0.00 27.41 29.96 1wgq h HIS 89 CO -0.03 -0.40 -0.51 0.77 0.86 0.00 0.00 177.93 178.62 1wgq h SER 90 N -0.01 -1.53 -0.97 2.45 0.02 -1.91 -2.09 113.55 109.50 1wgq h SER 90 Ca 0.35 0.16 0.10 0.00 -0.84 0.00 0.00 61.79 61.57 1wgq h SER 90 Cb 0.61 0.57 -0.13 0.00 0.14 0.00 0.00 62.40 63.59 1wgq h SER 90 CO -0.97 -0.54 -0.52 0.41 -1.14 0.00 0.00 176.83 174.07 1wgq n THR 91 N -5.48 -0.62 -0.30 -2.27 -1.04 0.59 0.14 114.28 105.30 1wgq n THR 91 Ca -0.08 2.32 0.13 0.00 -2.04 0.00 0.00 64.05 64.38 1wgq n THR 91 Cb 0.41 -2.91 0.30 0.00 -1.82 0.00 0.00 70.33 66.30 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 0.31 0.42 -2.82 1.08 -0.74 1.17 115.11 114.53 1wgq h GLN 92 Ca 0.20 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1wgq h GLN 92 Cb 0.44 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1wgq h GLN 92 CO -0.92 0.21 -0.20 0.00 -0.95 0.00 0.00 178.83 176.97 1wgq h ARG 93 N 0.32 -0.54 0.20 1.46 3.08 0.19 0.12 114.38 119.22 1wgq h ARG 93 Ca 0.55 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.64 1wgq h ARG 93 Cb 1.08 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1wgq h ARG 93 CO -0.57 -0.34 -0.15 -1.49 -1.07 0.00 0.00 179.97 176.35 1wgq h TRP 94 N -0.60 -0.40 -0.17 3.04 4.06 0.11 0.90 115.95 122.89 1wgq h TRP 94 Ca -0.06 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.91 1wgq h TRP 94 Cb 0.45 0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.73 1wgq h TRP 94 CO -0.04 -0.24 -0.21 0.82 -3.56 0.00 0.00 178.44 175.21 1wgq h ILE 95 N -0.36 0.00 -0.51 1.49 2.04 0.14 0.86 117.51 121.17 1wgq h ILE 95 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1wgq h ILE 95 Cb 0.32 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.33 1wgq h ILE 95 CO -0.01 0.00 0.12 -0.78 0.00 0.00 0.00 178.15 177.48 1wgq h ASP 96 N -0.14 0.03 -1.00 1.72 1.82 -0.63 0.49 116.42 118.72 1wgq h ASP 96 Ca 0.03 0.09 0.23 0.00 -0.39 0.00 0.00 57.03 56.98 1wgq h ASP 96 Cb 0.22 0.11 -0.10 0.00 0.68 0.00 0.00 39.33 40.24 1wgq h ASP 96 CO -0.24 0.04 0.62 0.00 -1.61 0.00 0.00 179.24 178.06 1wgq h ALA 97 N 1.39 1.91 0.12 -0.78 0.00 0.25 1.09 119.26 123.24 1wgq h ALA 97 Ca 0.26 0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.97 1wgq h ALA 97 Cb 0.34 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wgq h ALA 97 CO -0.32 -0.31 -1.21 0.74 0.00 0.00 0.00 179.25 178.15 1wgq h PHE 98 N 0.58 0.62 0.36 0.00 0.04 0.37 -2.37 116.94 116.53 1wgq h PHE 98 Ca 0.59 -0.42 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 1wgq h PHE 98 Cb 1.18 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1wgq h PHE 98 CO -0.00 1.30 -0.17 1.96 -0.60 0.00 0.00 178.31 180.80 1wgq h GLN 99 N 0.13 -0.46 -0.22 1.51 1.08 0.33 -1.85 115.11 115.63 1wgq h GLN 99 Ca -0.14 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1wgq h GLN 99 Cb 1.91 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 29.43 1wgq h GLN 99 CO 0.21 -0.14 0.14 0.93 -0.95 0.00 0.00 178.83 179.01 1wgq h GLU 100 N -0.84 0.28 0.71 1.46 5.08 0.91 -1.75 114.58 120.43 1wgq h GLU 100 Ca -0.05 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1wgq h GLU 100 Cb 0.53 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1wgq h GLU 100 CO 0.08 0.19 -0.34 0.78 -1.00 0.00 0.00 179.01 178.72 1wgq h GLY 101 N 0.30 -0.99 0.48 -3.84 0.00 -1.31 -3.03 103.07 94.67 1wgq h GLY 101 Ca 0.08 0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.88 1wgq h GLY 101 CO -0.02 -0.36 0.51 -0.91 0.00 0.00 0.00 176.54 175.77 1wgq h THR 102 N -1.08 0.89 -2.29 4.70 1.35 -1.06 -3.37 112.91 112.06 1wgq h THR 102 Ca -0.10 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1wgq h THR 102 Cb 0.76 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1wgq h THR 102 CO 0.16 0.15 0.00 1.33 -0.25 0.00 0.00 175.52 176.91 1wgq n VAL 103 N -4.72 0.00 -0.86 6.82 0.24 -0.68 -3.69 118.33 115.44 1wgq n VAL 103 Ca 0.15 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.48 1wgq n VAL 103 Cb 0.31 -1.57 0.04 0.00 -1.47 0.00 0.00 33.84 31.15 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 -1.33 1.35 0.00 -1.34 2.88 -1.25 -4.87 113.62 109.06 1wgq n SER 104 Ca 0.00 -2.11 0.00 0.00 -1.33 0.00 0.00 58.87 55.43 1wgq n SER 104 Cb 0.00 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.59 -1.21 0.20 0.46 0.00 -1.26 -4.38 105.19 98.41 1wgq n GLY 105 Ca 0.05 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 1wgq n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq h PRO 106 N 0.00 0.68 -1.45 1.61 0.13 -2.00 -3.44 132.00 127.54 1wgq h PRO 106 Ca 0.00 -0.67 -0.03 0.00 -0.87 0.00 0.00 66.00 64.43 1wgq h PRO 106 Cb 0.00 0.17 -0.25 0.00 0.13 0.00 0.00 31.00 31.05 1wgq h PRO 106 CO 0.00 1.26 -0.38 -1.54 -0.23 0.00 0.00 178.00 177.11 1wgq s SER 107 N -7.13 -0.57 0.05 1.44 1.04 -1.26 -5.02 113.70 102.26 1wgq s SER 107 Ca -0.11 0.51 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 1wgq s SER 107 Cb 0.07 1.63 -0.26 0.00 0.10 0.00 0.00 66.02 67.56 1wgq s SER 107 CO 0.90 -0.28 1.05 0.77 0.98 0.00 0.00 173.24 176.65 1wgq h SER 108 N 8.09 0.30 -0.02 7.02 4.64 -1.86 -3.54 113.55 128.19 1wgq h SER 108 Ca -0.20 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1wgq h SER 108 Cb 1.16 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1wgq h SER 108 CO 0.26 1.29 0.00 0.61 -0.87 0.00 0.00 176.83 178.13