#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 -1.64 -3.60 1.61 7.64 -1.26 -5.17 113.62 111.20 1wgq n SER 2 Ca 0.00 0.51 0.01 0.00 1.01 0.00 0.00 58.87 60.40 1wgq n SER 2 Cb 0.00 1.68 -0.01 0.00 -1.01 0.00 0.00 64.21 64.87 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 -3.45 -0.05 0.65 6.43 0.15 -1.26 -5.18 113.70 110.99 1wgq s SER 3 Ca 0.00 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 1wgq s SER 3 Cb 0.00 0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.45 1wgq s SER 3 CO 0.00 -0.20 0.18 0.61 1.20 0.00 0.00 173.24 175.03 1wgq n GLY 4 N -0.43 0.03 2.84 9.45 0.00 -1.26 -5.11 105.19 110.72 1wgq n GLY 4 Ca -0.07 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 1wgq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq s SER 5 N -1.69 1.12 -1.06 1.61 0.01 -1.26 -5.08 113.70 107.35 1wgq s SER 5 Ca 0.11 -0.10 -0.11 0.00 1.31 0.00 0.00 55.95 57.16 1wgq s SER 5 Cb -0.00 -0.42 0.25 0.00 0.21 0.00 0.00 66.02 66.05 1wgq s SER 5 CO 0.07 -0.11 1.08 -0.44 0.41 0.00 0.00 173.24 174.25 1wgq s SER 6 N 1.30 7.15 0.00 2.44 0.01 -1.26 -4.89 113.70 118.45 1wgq s SER 6 Ca -0.05 -3.28 0.00 0.00 1.31 0.00 0.00 55.95 53.93 1wgq s SER 6 Cb -0.13 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1wgq s SER 6 CO -0.02 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1wgq n GLY 7 N 3.24 0.42 3.65 3.44 0.00 -1.26 -5.03 105.19 109.66 1wgq n GLY 7 Ca 0.23 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 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 1.13 0.43 1.61 7.64 -1.26 -4.93 113.62 118.24 1wgq n SER 8 Ca 0.00 0.78 -0.19 0.00 1.01 0.00 0.00 58.87 60.47 1wgq n SER 8 Cb 0.00 -1.45 -0.09 0.00 -1.01 0.00 0.00 64.21 61.66 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 0.32 0.18 -2.75 0.44 2.02 -1.96 -3.44 112.91 107.73 1wgq h THR 9 Ca -0.49 -0.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.49 1wgq h THR 9 Cb 1.35 0.19 -0.29 0.00 -1.74 0.00 0.00 68.15 67.66 1wgq h THR 9 CO 0.51 0.00 -0.43 -0.32 0.37 0.00 0.00 175.52 175.65 1wgq s MET 10 N -5.87 0.25 0.15 6.66 0.00 -1.26 -4.96 119.30 114.27 1wgq s MET 10 Ca -0.18 0.80 -0.24 0.00 0.00 0.00 0.00 55.69 56.07 1wgq s MET 10 Cb 0.03 0.06 0.07 0.00 0.00 0.00 0.00 34.83 34.98 1wgq s MET 10 CO 0.59 -0.23 0.65 -1.54 0.00 0.00 0.00 175.02 174.50 1wgq s SER 11 N 2.07 -0.51 0.00 1.11 1.04 -1.26 -1.59 113.70 114.56 1wgq s SER 11 Ca -0.04 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wgq s SER 11 Cb -0.11 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1wgq s SER 11 CO -0.11 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1wgq n GLY 12 N -0.37 3.48 3.72 7.32 0.00 -1.21 -5.06 105.19 113.06 1wgq n GLY 12 Ca -0.15 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 3.50 0.07 1.61 2.02 -1.26 -3.57 117.35 117.72 1wgq s TYR 13 Ca 0.00 1.42 0.04 0.00 -0.37 0.00 0.00 57.07 58.16 1wgq s TYR 13 Cb 0.00 -3.34 -0.03 0.00 -0.40 0.00 0.00 41.96 38.19 1wgq s TYR 13 CO 0.00 -0.94 -0.12 -0.51 -1.57 0.00 0.00 175.55 172.41 1wgq s LEU 14 N 0.85 2.31 -0.35 -1.29 1.43 -0.99 -4.81 118.68 115.83 1wgq s LEU 14 Ca 0.56 -0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 1wgq s LEU 14 Cb -0.28 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.54 1wgq s LEU 14 CO 0.30 -0.15 0.33 -0.31 0.23 0.00 0.00 176.35 176.75 1wgq s TYR 15 N -1.63 3.21 -0.38 0.29 2.02 -1.23 -2.50 117.35 117.14 1wgq s TYR 15 Ca -0.01 -0.10 -0.14 0.00 -0.37 0.00 0.00 57.07 56.45 1wgq s TYR 15 Cb -0.08 -2.63 0.00 0.00 -0.40 0.00 0.00 41.96 38.85 1wgq s TYR 15 CO 0.01 -0.43 0.28 0.50 -1.57 0.00 0.00 175.55 174.34 1wgq s ARG 16 N 1.94 3.22 0.38 -0.62 3.52 -0.71 -2.21 118.95 124.48 1wgq s ARG 16 Ca 0.10 -0.83 0.08 0.00 -0.13 0.00 0.00 55.73 54.94 1wgq s ARG 16 Cb -0.17 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.30 1wgq s ARG 16 CO 0.11 -0.61 0.31 0.45 -0.81 0.00 0.00 175.30 174.76 1wgq s SER 17 N 1.70 5.10 -0.33 -2.12 0.15 0.24 0.12 113.70 118.56 1wgq s SER 17 Ca 0.06 -0.65 0.07 0.00 0.70 0.00 0.00 55.95 56.13 1wgq s SER 17 Cb -0.18 -0.75 0.53 0.00 -1.71 0.00 0.00 66.02 63.91 1wgq s SER 17 CO 0.10 -0.49 1.55 0.29 1.20 0.00 0.00 173.24 175.89 1wgq n LYS 18 N -1.43 1.97 0.00 5.44 4.76 -1.26 -1.94 118.16 125.71 1wgq n LYS 18 Ca 0.01 -3.20 0.00 0.00 -2.87 0.00 0.00 58.31 52.24 1wgq n LYS 18 Cb 0.61 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.12 -0.31 0.23 0.72 0.00 -1.26 -4.86 105.19 98.60 1wgq n GLY 19 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 1.61 7.64 -1.26 -4.59 113.62 117.02 1wgq n SER 20 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1wgq n SER 20 Cb 0.00 -0.29 0.56 0.00 -1.01 0.00 0.00 64.21 63.47 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 -2.28 0.84 -1.66 1.43 4.01 -1.26 -4.82 118.16 114.41 1wgq n LYS 21 Ca 0.00 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.47 1wgq n LYS 21 Cb 0.00 -1.35 0.06 0.00 -0.51 0.00 0.00 35.03 33.22 1wgq n LYS 21 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1wgq s LYS 22 N -2.00 2.70 -0.03 1.97 -0.14 -1.26 -4.97 119.74 116.02 1wgq s LYS 22 Ca 0.29 1.34 -0.30 0.00 -1.36 0.00 0.00 55.97 55.93 1wgq s LYS 22 Cb 0.13 -1.94 -0.04 0.00 -1.68 0.00 0.00 37.83 34.30 1wgq s LYS 22 CO 0.22 -1.32 1.21 -1.25 -0.76 0.00 0.00 175.35 173.45 1wgq s PRO 23 N -4.27 4.36 0.92 -1.68 0.04 -1.26 -4.74 135.00 128.37 1wgq s PRO 23 Ca 0.66 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 1wgq s PRO 23 Cb -0.20 -3.52 0.14 0.00 0.04 0.00 0.00 34.50 30.96 1wgq s PRO 23 CO 0.44 -0.42 1.09 -1.58 0.04 0.00 0.00 177.00 176.58 1wgq s TRP 24 N 2.03 2.30 -0.21 0.56 0.52 -1.26 -4.26 118.94 118.62 1wgq s TRP 24 Ca 0.57 1.17 -0.03 0.00 0.02 0.00 0.00 56.10 57.83 1wgq s TRP 24 Cb -0.26 -3.19 0.07 0.00 -1.15 0.00 0.00 33.47 28.94 1wgq s TRP 24 CO 0.24 -2.48 0.07 0.15 0.02 0.00 0.00 176.95 174.94 1wgq s LYS 25 N -4.96 0.47 -0.29 4.98 1.02 0.12 -4.89 119.74 116.19 1wgq s LYS 25 Ca 0.64 -0.44 -0.28 0.00 0.02 0.00 0.00 55.97 55.91 1wgq s LYS 25 Cb -0.18 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 1wgq s LYS 25 CO 0.57 -0.73 1.89 -1.58 -0.92 0.00 0.00 175.35 174.57 1wgq s HIS 26 N 1.92 1.67 0.20 3.18 5.65 -1.26 -1.73 115.29 124.92 1wgq s HIS 26 Ca 0.02 0.58 0.00 0.00 0.25 0.00 0.00 55.06 55.91 1wgq s HIS 26 Cb -0.17 -4.08 -0.04 0.00 -1.18 0.00 0.00 32.58 27.11 1wgq s HIS 26 CO -0.14 -3.26 0.08 -0.51 -0.65 0.00 0.00 174.74 170.26 1wgq s LEU 27 N 7.07 1.62 -0.08 8.88 1.43 -1.04 -4.99 118.68 131.56 1wgq s LEU 27 Ca 0.84 -1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1wgq s LEU 27 Cb -0.25 0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 1wgq s LEU 27 CO 0.34 -0.73 -0.01 0.86 0.23 0.00 0.00 176.35 177.04 1wgq s TRP 28 N -3.90 3.11 0.06 0.29 -0.11 -1.01 -2.36 118.94 115.02 1wgq s TRP 28 Ca 0.33 0.15 0.02 0.00 1.22 0.00 0.00 56.10 57.81 1wgq s TRP 28 Cb 0.07 -1.78 -0.03 0.00 -1.50 0.00 0.00 33.47 30.23 1wgq s TRP 28 CO 0.09 0.43 -0.07 -0.06 -4.62 0.00 0.00 176.95 172.72 1wgq s PHE 29 N -0.83 0.71 -0.12 5.86 0.40 -1.23 0.34 117.98 123.11 1wgq s PHE 29 Ca 0.13 -0.70 -0.13 0.00 -0.60 0.00 0.00 56.93 55.63 1wgq s PHE 29 Cb -0.11 -0.43 0.03 0.00 0.51 0.00 0.00 43.02 43.02 1wgq s PHE 29 CO 0.02 -0.14 0.35 0.08 0.70 0.00 0.00 175.22 176.24 1wgq s VAL 30 N -2.40 0.01 -0.56 -0.44 1.01 -0.97 -3.36 120.40 113.69 1wgq s VAL 30 Ca -0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 1wgq s VAL 30 Cb -0.03 -0.52 0.14 0.00 0.00 0.00 0.00 36.38 35.97 1wgq s VAL 30 CO -0.02 -0.03 0.46 -0.63 0.00 0.00 0.00 175.10 174.88 1wgq s ILE 31 N 0.01 4.66 -0.04 2.22 1.01 -0.62 -0.76 121.20 127.68 1wgq s ILE 31 Ca -0.02 -1.91 0.05 0.00 0.00 0.00 0.00 60.65 58.78 1wgq s ILE 31 Cb -0.03 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 1wgq s ILE 31 CO 0.01 -0.85 -0.21 -0.75 0.00 0.00 0.00 174.94 173.14 1wgq s LYS 32 N 1.13 2.04 -1.42 2.79 2.20 -0.10 -4.41 119.74 121.97 1wgq s LYS 32 Ca 0.08 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 1wgq s LYS 32 Cb -0.24 -1.79 0.02 0.00 -1.51 0.00 0.00 37.83 34.31 1wgq s LYS 32 CO -0.01 0.34 0.40 -1.71 -0.36 0.00 0.00 175.35 174.01 1wgq n ASN 33 N 2.95 -5.02 -1.46 1.43 5.15 -1.26 0.10 115.26 117.15 1wgq n ASN 33 Ca -0.17 -0.21 -0.18 0.00 -0.60 0.00 0.00 54.58 53.43 1wgq n ASN 33 Cb 0.53 -4.13 -0.07 0.00 -0.53 0.00 0.00 39.78 35.58 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 -3.62 -1.26 -4.87 1.20 5.02 -1.26 -4.93 118.16 108.44 1wgq n LYS 34 Ca -0.11 1.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.94 1wgq n LYS 34 Cb 0.60 -5.37 -0.15 0.00 -0.02 0.00 0.00 35.03 30.10 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 -2.69 2.87 -0.89 -0.18 1.01 0.28 -1.17 120.40 119.62 1wgq s VAL 35 Ca 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 1wgq s VAL 35 Cb 0.00 -2.18 0.11 0.00 0.00 0.00 0.00 36.38 34.31 1wgq s VAL 35 CO 0.00 0.54 1.14 -0.22 0.00 0.00 0.00 175.10 176.56 1wgq s LEU 36 N 0.23 4.73 0.36 3.92 1.98 0.27 -0.92 118.68 129.24 1wgq s LEU 36 Ca -0.10 -1.78 -0.24 0.00 -2.89 0.00 0.00 54.13 49.12 1wgq s LEU 36 Cb -0.16 -2.43 -0.10 0.00 0.66 0.00 0.00 46.19 44.17 1wgq s LEU 36 CO 0.06 -1.19 0.96 -0.31 -1.89 0.00 0.00 176.35 173.98 1wgq s TYR 37 N 3.24 3.53 0.17 5.38 2.02 0.07 -2.77 117.35 128.97 1wgq s TYR 37 Ca 0.33 1.72 0.03 0.00 -0.37 0.00 0.00 57.07 58.78 1wgq s TYR 37 Cb -0.06 -2.94 -0.03 0.00 -0.40 0.00 0.00 41.96 38.53 1wgq s TYR 37 CO -0.06 -0.00 0.27 0.99 -1.57 0.00 0.00 175.55 175.18 1wgq s THR 38 N -1.77 5.19 0.26 -0.71 2.01 0.13 -2.28 115.64 118.47 1wgq s THR 38 Ca 0.54 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1wgq s THR 38 Cb -0.17 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1wgq s THR 38 CO 0.22 -0.13 0.48 -1.22 -0.69 0.00 0.00 174.62 173.28 1wgq n TYR 39 N -0.65 -1.74 0.00 4.92 4.01 0.15 -0.99 117.16 122.86 1wgq n TYR 39 Ca -0.07 -1.32 0.00 0.00 -0.16 0.00 0.00 57.90 56.34 1wgq n TYR 39 Cb 0.55 0.56 0.00 0.00 -0.31 0.00 0.00 39.34 40.14 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 2.52 -2.44 -0.72 0.00 -1.26 -2.42 120.51 114.80 1wgq n ALA 40 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 1wgq n ALA 40 Cb 0.40 0.38 -0.11 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.89 1.75 0.19 0.00 0.00 -1.26 -4.08 121.76 116.48 1wgq s ALA 41 Ca 0.00 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 1wgq s ALA 41 Cb 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 23.12 23.13 1wgq s ALA 41 CO 0.00 0.13 1.77 1.03 0.00 0.00 0.00 175.76 178.69 1wgq h SER 42 N 3.24 0.95 -0.55 0.00 0.87 -1.98 -1.82 113.55 114.27 1wgq h SER 42 Ca -0.40 -0.16 -0.29 0.00 -1.23 0.00 0.00 61.79 59.71 1wgq h SER 42 Cb 1.20 -0.25 -0.17 0.00 -0.44 0.00 0.00 62.40 62.75 1wgq h SER 42 CO 0.53 0.84 0.37 -0.62 -0.53 0.00 0.00 176.83 177.43 1wgq n GLU 43 N -4.40 1.70 -0.65 2.24 -0.58 -1.26 -4.96 120.64 112.74 1wgq n GLU 43 Ca 0.06 -1.66 -0.31 0.00 -0.42 0.00 0.00 57.16 54.82 1wgq n GLU 43 Cb 0.16 -1.65 0.18 0.00 -0.57 0.00 0.00 31.44 29.56 1wgq n GLU 43 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1wgq n ASP 44 N -0.36 -1.62 -0.01 1.62 5.68 -0.68 -4.94 116.55 116.23 1wgq n ASP 44 Ca 0.33 0.09 0.08 0.00 -0.50 0.00 0.00 54.79 54.79 1wgq n ASP 44 Cb 1.10 -1.20 -0.12 0.00 -1.14 0.00 0.00 41.12 39.76 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 -4.33 0.00 -3.51 2.12 0.24 -1.26 -5.02 118.33 106.57 1wgq n VAL 45 Ca 0.05 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 61.89 1wgq n VAL 45 Cb 0.56 0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 33.15 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 -3.02 -1.79 0.20 2.33 0.00 -1.26 -5.15 121.76 113.07 1wgq s ALA 46 Ca -0.04 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1wgq s ALA 46 Cb 0.10 0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.22 1wgq s ALA 46 CO 0.66 -0.50 0.99 0.00 0.00 0.00 0.00 175.76 176.91 1wgq s ALA 47 N -2.10 3.33 0.18 0.00 0.00 -1.26 -4.81 121.76 117.10 1wgq s ALA 47 Ca -0.03 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 1wgq s ALA 47 Cb -0.01 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.90 1wgq s ALA 47 CO -0.01 0.03 1.63 -0.07 0.00 0.00 0.00 175.76 177.34 1wgq h LEU 48 N 4.66 1.04 -8.10 0.00 3.38 -1.39 -3.46 115.31 111.44 1wgq h LEU 48 Ca -0.44 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.13 1wgq h LEU 48 Cb 1.21 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 1wgq h LEU 48 CO 0.70 1.10 -0.23 -1.61 0.09 0.00 0.00 178.44 178.49 1wgq s GLU 49 N -5.00 1.31 -0.06 1.13 0.41 -1.24 -4.98 118.70 110.27 1wgq s GLU 49 Ca -0.12 -1.18 -0.02 0.00 -0.41 0.00 0.00 54.97 53.24 1wgq s GLU 49 Cb 0.13 0.42 0.04 0.00 -1.78 0.00 0.00 34.13 32.94 1wgq s GLU 49 CO 0.86 -0.51 0.10 -1.54 -0.49 0.00 0.00 175.26 173.68 1wgq s SER 50 N -2.98 0.86 -0.06 -0.19 1.04 -1.26 0.19 113.70 111.31 1wgq s SER 50 Ca 0.19 0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.80 1wgq s SER 50 Cb 0.02 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1wgq s SER 50 CO 0.03 -0.24 -0.02 -1.58 0.98 0.00 0.00 173.24 172.41 1wgq s GLN 51 N 2.10 0.71 -0.10 4.02 2.00 -1.12 -5.01 119.66 122.27 1wgq s GLN 51 Ca 0.03 -0.01 -0.30 0.00 -2.00 0.00 0.00 55.36 53.08 1wgq s GLN 51 Cb -0.12 -0.88 -0.03 0.00 0.80 0.00 0.00 33.01 32.78 1wgq s GLN 51 CO -0.04 -0.18 1.25 -1.25 -0.50 0.00 0.00 175.29 174.56 1wgq s PRO 52 N 1.36 4.29 0.59 1.67 0.04 -1.26 0.94 135.00 142.64 1wgq s PRO 52 Ca -0.04 1.69 0.29 0.00 0.04 0.00 0.00 61.00 62.98 1wgq s PRO 52 Cb -0.13 -3.66 1.63 0.00 0.04 0.00 0.00 34.50 32.38 1wgq s PRO 52 CO -0.02 -0.58 2.05 -0.07 0.04 0.00 0.00 177.00 178.42 1wgq h LEU 53 N 8.93 0.00 -9.07 -3.56 3.38 -1.46 -3.41 115.31 110.11 1wgq h LEU 53 Ca -0.31 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.06 1wgq h LEU 53 Cb 1.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.89 1wgq h LEU 53 CO 0.92 0.00 1.30 -0.11 0.09 0.00 0.00 178.44 180.64 1wgq n LEU 54 N -3.72 3.30 0.00 1.67 -0.00 -1.26 -0.37 117.00 116.63 1wgq n LEU 54 Ca 0.03 0.63 0.00 0.00 -0.00 0.00 0.00 56.01 56.67 1wgq n LEU 54 Cb 0.40 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1wgq n LEU 54 CO 0.27 -0.31 0.00 0.61 -0.00 0.00 0.00 177.39 177.95 1wgq n GLY 55 N 5.22 2.41 3.71 -3.96 0.00 -1.26 -5.07 105.19 106.25 1wgq n GLY 55 Ca 0.28 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.97 -4.01 1.61 3.01 0.50 -4.15 117.46 110.45 1wgq n PHE 56 Ca 0.00 -1.11 -0.12 0.00 1.01 0.00 0.00 57.45 57.23 1wgq n PHE 56 Cb 0.00 -1.05 -0.03 0.00 -0.01 0.00 0.00 39.48 38.39 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 -3.61 0.00 0.06 4.37 2.01 0.28 -4.76 115.64 113.99 1wgq s THR 57 Ca 0.73 -1.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 1wgq s THR 57 Cb -0.03 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1wgq s THR 57 CO 0.53 0.00 0.20 -0.69 -0.69 0.00 0.00 174.62 173.97 1wgq s VAL 58 N -3.24 0.12 -0.02 3.82 1.01 -1.26 -0.41 120.40 120.42 1wgq s VAL 58 Ca 0.25 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 1wgq s VAL 58 Cb -0.01 -1.10 0.08 0.00 0.00 0.00 0.00 36.38 35.34 1wgq s VAL 58 CO 0.15 -0.56 0.73 0.28 0.00 0.00 0.00 175.10 175.70 1wgq s THR 59 N -3.15 0.00 0.32 3.92 -1.32 -1.05 -4.90 115.64 109.46 1wgq s THR 59 Ca -0.01 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.21 1wgq s THR 59 Cb 0.02 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.91 1wgq s THR 59 CO -0.07 0.00 1.01 -0.22 -2.21 0.00 0.00 174.62 173.13 1wgq s LEU 60 N -1.55 4.38 0.03 9.08 1.98 -1.26 -1.40 118.68 129.94 1wgq s LEU 60 Ca -0.06 2.01 0.07 0.00 -2.89 0.00 0.00 54.13 53.26 1wgq s LEU 60 Cb -0.00 -3.91 -0.02 0.00 0.66 0.00 0.00 46.19 42.91 1wgq s LEU 60 CO 0.03 -0.16 -0.21 0.54 -1.89 0.00 0.00 176.35 174.66 1wgq s VAL 61 N -1.45 1.71 -0.08 1.68 0.11 -1.02 -4.89 120.40 116.47 1wgq s VAL 61 Ca 0.49 -1.15 -0.09 0.00 -2.93 0.00 0.00 61.98 58.31 1wgq s VAL 61 Cb -0.24 -1.47 -0.06 0.00 -1.53 0.00 0.00 36.38 33.09 1wgq s VAL 61 CO 0.30 0.28 0.33 0.50 -3.33 0.00 0.00 175.10 173.18 1wgq h LYS 62 N 5.02 -0.20 -2.55 1.54 3.64 -1.88 -3.39 116.57 118.76 1wgq h LYS 62 Ca -0.42 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 59.25 1wgq h LYS 62 Cb 1.15 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.90 1wgq h LYS 62 CO 0.45 -0.04 -0.74 -3.47 -2.27 0.00 0.00 179.45 173.38 1wgq n ASP 63 N -4.90 -6.41 0.03 4.20 2.03 -1.26 -2.93 116.55 107.31 1wgq n ASP 63 Ca -0.04 0.84 0.08 0.00 0.52 0.00 0.00 54.79 56.20 1wgq n ASP 63 Cb 0.12 -3.56 -0.10 0.00 -0.72 0.00 0.00 41.12 36.86 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 -3.85 0.64 -0.08 -0.67 -0.00 -1.26 -4.46 120.64 110.96 1wgq n GLU 64 Ca -0.04 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.16 57.00 1wgq n GLU 64 Cb 0.51 -1.66 -0.05 0.00 -0.00 0.00 0.00 31.44 30.25 1wgq n GLU 64 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1wgq h ASN 65 N 0.00 0.00 -5.13 -1.84 -0.73 -1.94 -3.48 115.58 102.46 1wgq h ASN 65 Ca -0.06 -0.18 -0.31 0.00 1.87 0.00 0.00 56.30 57.61 1wgq h ASN 65 Cb 1.16 0.00 0.04 0.00 0.27 0.00 0.00 38.32 39.79 1wgq h ASN 65 CO 0.01 0.94 0.03 -1.20 -0.37 0.00 0.00 177.43 176.84 1wgq n SER 66 N -4.58 1.09 0.00 1.15 7.64 -1.26 -5.06 113.62 112.59 1wgq n SER 66 Ca -0.13 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1wgq n SER 66 Cb 0.36 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1wgq n SER 66 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wgq n GLU 67 N -2.10 0.00 -1.42 1.43 -0.58 -1.15 -4.27 120.64 112.56 1wgq n GLU 67 Ca 0.11 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.81 1wgq n GLU 67 Cb 0.40 -0.40 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 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 -2.21 -0.72 -0.47 1.62 7.64 -1.26 -4.26 113.62 113.96 1wgq n SER 68 Ca 0.00 -2.04 0.07 0.00 1.01 0.00 0.00 58.87 57.91 1wgq n SER 68 Cb 0.15 0.26 0.15 0.00 -1.01 0.00 0.00 64.21 63.75 1wgq n SER 68 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wgq n LYS 69 N -0.22 1.18 -3.69 1.43 5.02 -1.26 -4.70 118.16 115.91 1wgq n LYS 69 Ca -0.20 -2.70 -0.14 0.00 -2.02 0.00 0.00 58.31 53.24 1wgq n LYS 69 Cb 0.80 -1.32 -0.08 0.00 -0.02 0.00 0.00 35.03 34.40 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 -2.51 0.04 0.26 -0.18 0.11 -1.26 -0.52 120.40 116.33 1wgq s VAL 70 Ca 0.32 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 1wgq s VAL 70 Cb 0.30 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 1wgq s VAL 70 CO -0.03 -0.17 0.17 0.72 -3.33 0.00 0.00 175.10 172.46 1wgq s PHE 71 N -1.13 1.43 0.05 1.54 -0.71 0.27 -2.42 117.98 117.01 1wgq s PHE 71 Ca -0.12 -1.43 0.07 0.00 -1.04 0.00 0.00 56.93 54.42 1wgq s PHE 71 Cb -0.04 -0.69 -0.03 0.00 -1.21 0.00 0.00 43.02 41.05 1wgq s PHE 71 CO 0.05 -0.64 -0.20 -0.65 -1.34 0.00 0.00 175.22 172.44 1wgq s GLN 72 N -3.91 1.30 -0.65 1.99 -0.21 -0.49 0.10 119.66 117.80 1wgq s GLN 72 Ca 0.38 -0.97 -0.18 0.00 0.02 0.00 0.00 55.36 54.61 1wgq s GLN 72 Cb 0.06 -1.44 0.12 0.00 1.00 0.00 0.00 33.01 32.75 1wgq s GLN 72 CO 0.17 0.36 0.74 -1.17 -2.12 0.00 0.00 175.29 173.27 1wgq s LEU 73 N -1.32 5.61 0.36 2.90 2.96 -0.41 -2.53 118.68 126.25 1wgq s LEU 73 Ca 0.07 -1.69 -0.24 0.00 -0.22 0.00 0.00 54.13 52.04 1wgq s LEU 73 Cb -0.09 -2.29 -0.10 0.00 0.50 0.00 0.00 46.19 44.21 1wgq s LEU 73 CO 0.02 -1.02 0.95 -0.76 -1.32 0.00 0.00 176.35 174.22 1wgq s LEU 74 N 2.26 4.20 -0.34 -0.68 1.43 0.45 0.43 118.68 126.45 1wgq s LEU 74 Ca 0.14 1.79 -0.01 0.00 -1.03 0.00 0.00 54.13 55.01 1wgq s LEU 74 Cb -0.21 -4.20 0.12 0.00 0.03 0.00 0.00 46.19 41.93 1wgq s LEU 74 CO 0.02 -0.17 0.17 -2.28 0.23 0.00 0.00 176.35 174.32 1wgq s HIS 75 N -1.81 0.93 0.00 0.29 2.46 0.50 0.99 115.29 118.65 1wgq s HIS 75 Ca 0.54 -1.51 0.00 0.00 0.47 0.00 0.00 55.06 54.56 1wgq s HIS 75 Cb -0.15 -1.18 0.00 0.00 -0.13 0.00 0.00 32.58 31.12 1wgq s HIS 75 CO 0.20 -0.83 0.00 1.63 -2.47 0.00 0.00 174.74 173.27 1wgq n LYS 76 N 4.51 0.00 0.00 2.88 5.02 -1.26 -3.21 118.16 126.10 1wgq n LYS 76 Ca 0.03 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1wgq n LYS 76 Cb 0.39 -3.01 0.00 0.00 -0.02 0.00 0.00 35.03 32.40 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 -2.89 2.13 3.83 0.72 0.00 -1.26 -5.08 105.19 102.64 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 -0.20 4.11 0.14 1.61 -1.94 -1.20 -4.98 119.30 116.84 1wgq s MET 78 Ca 0.00 0.66 -0.30 0.00 -1.71 0.00 0.00 55.69 54.34 1wgq s MET 78 Cb 0.00 -2.95 -0.07 0.00 2.01 0.00 0.00 34.83 33.82 1wgq s MET 78 CO 0.00 0.46 1.13 0.08 -0.01 0.00 0.00 175.02 176.68 1wgq s VAL 79 N -1.45 3.95 -0.27 -6.03 1.01 -1.26 0.19 120.40 116.54 1wgq s VAL 79 Ca 0.39 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.84 1wgq s VAL 79 Cb -0.16 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.07 1wgq s VAL 79 CO 0.20 0.22 -0.27 0.33 0.00 0.00 0.00 175.10 175.59 1wgq n PHE 80 N 2.87 0.12 -3.85 5.22 7.35 0.17 -4.85 117.46 124.49 1wgq n PHE 80 Ca 0.05 0.04 -0.08 0.00 -0.76 0.00 0.00 57.45 56.70 1wgq n PHE 80 Cb 0.46 -1.01 -0.00 0.00 0.35 0.00 0.00 39.48 39.28 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 -2.50 0.01 -0.19 -5.13 2.02 -1.23 -4.98 117.35 105.35 1wgq s TYR 81 Ca -0.37 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 55.76 1wgq s TYR 81 Cb 0.13 0.71 0.00 0.00 -0.40 0.00 0.00 41.96 42.40 1wgq s TYR 81 CO 0.53 -1.36 -0.11 0.08 -1.57 0.00 0.00 175.55 173.12 1wgq s VAL 82 N -3.22 2.86 -0.19 0.71 1.01 -0.82 -1.29 120.40 119.46 1wgq s VAL 82 Ca 0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1wgq s VAL 82 Cb -0.05 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1wgq s VAL 82 CO 0.09 0.48 -0.09 -0.36 0.00 0.00 0.00 175.10 175.22 1wgq s PHE 83 N 1.25 2.90 -0.09 5.22 0.08 0.29 -0.59 117.98 127.04 1wgq s PHE 83 Ca 0.03 -0.94 -0.04 0.00 0.12 0.00 0.00 56.93 56.10 1wgq s PHE 83 Cb -0.14 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 1wgq s PHE 83 CO -0.05 -0.48 0.08 0.21 -0.10 0.00 0.00 175.22 174.88 1wgq s LYS 84 N 1.12 3.22 0.09 0.44 2.20 -0.94 0.94 119.74 126.81 1wgq s LYS 84 Ca 0.01 -0.29 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1wgq s LYS 84 Cb -0.14 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1wgq s LYS 84 CO -0.02 0.73 0.07 0.00 -0.36 0.00 0.00 175.35 175.76 1wgq s ALA 85 N -1.01 3.50 0.00 3.13 0.00 0.32 -3.50 121.76 124.19 1wgq s ALA 85 Ca 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1wgq s ALA 85 Cb -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1wgq s ALA 85 CO 0.05 0.71 0.91 -0.25 0.00 0.00 0.00 175.76 177.19 1wgq n ASP 86 N 0.40 0.00 -3.62 0.00 9.92 -1.26 -4.76 116.55 117.24 1wgq n ASP 86 Ca -0.09 0.91 -0.18 0.00 -0.53 0.00 0.00 54.79 54.90 1wgq n ASP 86 Cb 0.52 -0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 40.56 1wgq n ASP 86 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wgq n ASP 87 N -2.52 2.57 0.22 -2.24 9.92 -1.26 -5.01 116.55 118.22 1wgq n ASP 87 Ca 0.00 -2.25 -0.15 0.00 -0.53 0.00 0.00 54.79 51.86 1wgq n ASP 87 Cb 0.00 0.13 -0.08 0.00 -0.64 0.00 0.00 41.12 40.53 1wgq n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgq h ALA 88 N 1.01 -0.50 -0.53 2.24 0.00 -1.85 -2.20 119.26 117.42 1wgq h ALA 88 Ca -0.24 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.62 1wgq h ALA 88 Cb 0.76 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 1wgq h ALA 88 CO 0.38 -0.75 -0.49 0.45 0.00 0.00 0.00 179.25 178.84 1wgq h HIS 89 N -0.55 -1.48 -0.56 0.00 3.86 -1.97 0.08 115.15 114.53 1wgq h HIS 89 Ca -0.05 0.08 0.09 0.00 -1.16 0.00 0.00 60.37 59.33 1wgq h HIS 89 Cb 0.42 0.72 -0.11 0.00 1.06 0.00 0.00 27.41 29.50 1wgq h HIS 89 CO -0.04 -0.45 -0.41 0.77 0.86 0.00 0.00 177.93 178.67 1wgq h SER 90 N -0.28 -1.39 -0.39 2.45 0.02 -1.91 -0.78 113.55 111.26 1wgq h SER 90 Ca 0.14 0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.36 1wgq h SER 90 Cb 0.57 0.64 -0.07 0.00 0.14 0.00 0.00 62.40 63.69 1wgq h SER 90 CO -0.66 -0.33 -0.41 0.74 -1.14 0.00 0.00 176.83 175.02 1wgq h THR 91 N -0.22 0.00 -0.61 -2.27 2.02 -0.38 0.16 112.91 111.61 1wgq h THR 91 Ca 0.19 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.45 1wgq h THR 91 Cb 0.56 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 1wgq h THR 91 CO -0.67 0.00 -0.49 1.56 0.37 0.00 0.00 175.52 176.29 1wgq h GLN 92 N -0.23 -0.22 -0.12 6.66 1.08 -0.23 0.92 115.11 122.97 1wgq h GLN 92 Ca 0.07 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1wgq h GLN 92 Cb 0.40 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.85 1wgq h GLN 92 CO -0.49 -0.15 -0.31 0.00 -0.95 0.00 0.00 178.83 176.93 1wgq h ARG 93 N -0.23 -0.28 -0.47 1.46 -0.00 -0.01 0.64 114.38 115.48 1wgq h ARG 93 Ca 0.16 0.02 0.09 0.00 -0.50 0.00 0.00 59.98 59.75 1wgq h ARG 93 Cb 0.55 0.06 -0.10 0.00 0.00 0.00 0.00 29.97 30.49 1wgq h ARG 93 CO -0.71 -0.19 -0.27 -1.49 0.00 0.00 0.00 179.97 177.31 1wgq h TRP 94 N -0.30 -0.71 -0.36 3.04 4.06 0.11 1.45 115.95 123.25 1wgq h TRP 94 Ca 0.02 0.06 0.05 0.00 2.06 0.00 0.00 58.89 61.08 1wgq h TRP 94 Cb 0.37 0.38 -0.08 0.00 -1.00 0.00 0.00 29.16 28.83 1wgq h TRP 94 CO -0.57 -0.34 -0.56 0.82 -3.56 0.00 0.00 178.44 174.23 1wgq h ILE 95 N -0.16 0.00 -0.43 1.49 2.04 0.21 1.44 117.51 122.09 1wgq h ILE 95 Ca 0.21 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.11 1wgq h ILE 95 Cb 0.50 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1wgq h ILE 95 CO -0.57 0.00 0.20 -0.78 0.00 0.00 0.00 178.15 177.00 1wgq h ASP 96 N -0.43 0.28 -0.72 1.72 3.58 0.19 0.61 116.42 121.65 1wgq h ASP 96 Ca 0.07 0.03 0.12 0.00 0.42 0.00 0.00 57.03 57.66 1wgq h ASP 96 Cb 0.61 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.59 1wgq h ASP 96 CO -0.57 0.20 0.48 0.00 -2.88 0.00 0.00 179.24 176.47 1wgq h ALA 97 N 1.24 1.99 0.00 -0.78 0.00 0.40 1.18 119.26 123.29 1wgq h ALA 97 Ca 0.19 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1wgq h ALA 97 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1wgq h ALA 97 CO -0.15 -0.16 -0.91 0.74 0.00 0.00 0.00 179.25 178.77 1wgq h PHE 98 N 0.50 0.00 0.04 0.00 0.04 0.39 -2.54 116.94 115.37 1wgq h PHE 98 Ca 0.34 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.11 1wgq h PHE 98 Cb 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1wgq h PHE 98 CO -0.00 0.83 -0.02 1.96 -0.60 0.00 0.00 178.31 180.48 1wgq h GLN 99 N 0.00 -0.05 -0.58 1.51 1.08 0.30 -2.62 115.11 114.75 1wgq h GLN 99 Ca -0.03 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1wgq h GLN 99 Cb 1.66 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 29.07 1wgq h GLN 99 CO 0.10 0.44 0.39 0.93 -0.95 0.00 0.00 178.83 179.74 1wgq h GLU 100 N -0.98 0.67 -0.13 1.46 5.08 0.11 0.59 114.58 121.38 1wgq h GLU 100 Ca -0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1wgq h GLU 100 Cb 0.51 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1wgq h GLU 100 CO 0.01 0.44 0.02 0.78 -1.00 0.00 0.00 179.01 179.26 1wgq h GLY 101 N 0.69 0.23 1.05 -3.84 0.00 -1.55 -3.04 103.07 96.61 1wgq h GLY 101 Ca 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1wgq h GLY 101 CO -0.06 0.14 0.25 -0.91 0.00 0.00 0.00 176.54 175.96 1wgq h THR 102 N -0.01 1.26 -1.91 4.70 1.35 -1.00 -3.39 112.91 113.92 1wgq h THR 102 Ca 0.04 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1wgq h THR 102 Cb 0.29 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1wgq h THR 102 CO 0.00 0.35 0.00 1.33 -0.25 0.00 0.00 175.52 176.95 1wgq n VAL 103 N -4.28 0.00 -1.78 6.82 0.24 0.14 -4.18 118.33 115.29 1wgq n VAL 103 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1wgq n VAL 103 Cb 0.22 -1.68 0.00 0.00 -1.47 0.00 0.00 33.84 30.90 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 -0.83 0.00 -3.13 -1.34 2.88 -1.26 -4.89 113.62 105.05 1wgq n SER 104 Ca 0.00 -1.56 -0.10 0.00 -1.33 0.00 0.00 58.87 55.88 1wgq n SER 104 Cb 0.00 -0.11 0.10 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.00 -3.10 3.59 0.46 0.00 -1.26 -4.82 105.19 100.06 1wgq n GLY 105 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.29 3.39 -0.15 1.61 0.04 -1.26 -4.86 135.00 130.48 1wgq s PRO 106 Ca 0.23 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 1wgq s PRO 106 Cb -0.04 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 1wgq s PRO 106 CO 0.19 -1.81 -0.14 0.45 0.04 0.00 0.00 177.00 175.72 1wgq n SER 107 N 9.45 1.82 -2.39 6.66 2.88 -1.26 -5.07 113.62 125.72 1wgq n SER 107 Ca 0.15 0.59 -0.02 0.00 -1.33 0.00 0.00 58.87 58.26 1wgq n SER 107 Cb 0.49 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 1wgq n SER 107 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgq n SER 108 N -4.58 -6.20 0.00 -3.46 7.64 -1.26 -5.13 113.62 100.62 1wgq n SER 108 Ca -0.11 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1wgq n SER 108 Cb 0.34 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.48 1wgq n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64