#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgq s SER 2 N 0.00 6.92 0.20 1.61 0.01 -1.26 -4.98 113.70 116.21 1wgq s SER 2 Ca 0.00 -2.64 0.02 0.00 1.31 0.00 0.00 55.95 54.64 1wgq s SER 2 Cb 0.00 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1wgq s SER 2 CO 0.00 -0.95 0.35 -0.94 0.41 0.00 0.00 173.24 172.11 1wgq s SER 3 N 3.47 6.35 0.27 2.44 1.04 -1.26 -4.93 113.70 121.07 1wgq s SER 3 Ca 0.46 0.24 -0.03 0.00 0.48 0.00 0.00 55.95 57.09 1wgq s SER 3 Cb -0.01 -1.94 -0.02 0.00 0.10 0.00 0.00 66.02 64.16 1wgq s SER 3 CO 0.01 -0.03 0.33 -0.83 0.98 0.00 0.00 173.24 173.70 1wgq s GLY 4 N -3.43 1.36 -0.10 7.32 0.00 -1.24 -5.15 107.32 106.08 1wgq s GLY 4 Ca 0.36 -1.51 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 1wgq s GLY 4 CO 0.29 -1.11 0.05 -0.45 0.00 0.00 0.00 173.10 171.88 1wgq s SER 5 N -3.18 1.82 -0.12 1.64 0.15 -1.26 -5.00 113.70 107.75 1wgq s SER 5 Ca 0.33 -0.27 -0.09 0.00 0.70 0.00 0.00 55.95 56.62 1wgq s SER 5 Cb 0.02 -0.29 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 1wgq s SER 5 CO 0.16 -0.27 0.17 -0.24 1.20 0.00 0.00 173.24 174.26 1wgq n SER 6 N 5.23 -3.14 0.00 5.45 2.88 -1.26 -5.07 113.62 117.71 1wgq n SER 6 Ca -0.06 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 1wgq n SER 6 Cb 0.49 -5.22 0.00 0.00 -0.75 0.00 0.00 64.21 58.74 1wgq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgq n GLY 7 N 1.73 4.15 3.76 0.46 0.00 -1.26 -5.13 105.19 108.91 1wgq n GLY 7 Ca -0.30 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 1wgq n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq s SER 8 N 0.00 5.76 0.07 1.61 0.01 -1.26 -4.91 113.70 114.98 1wgq s SER 8 Ca 0.00 2.85 -0.15 0.00 1.31 0.00 0.00 55.95 59.96 1wgq s SER 8 Cb 0.00 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1wgq s SER 8 CO 0.00 -1.25 1.26 0.71 0.41 0.00 0.00 173.24 174.37 1wgq h THR 9 N 2.08 0.00 -3.23 1.44 1.35 -2.01 -3.41 112.91 109.13 1wgq h THR 9 Ca -0.51 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.11 1wgq h THR 9 Cb 1.27 0.00 -0.32 0.00 -1.73 0.00 0.00 68.15 67.37 1wgq h THR 9 CO 0.60 0.00 -0.59 -0.32 -0.25 0.00 0.00 175.52 174.96 1wgq s MET 10 N -4.19 0.09 -0.18 4.72 0.00 -1.26 -5.04 119.30 113.44 1wgq s MET 10 Ca -0.06 0.39 -0.26 0.00 0.00 0.00 0.00 55.69 55.76 1wgq s MET 10 Cb 0.05 -0.18 0.07 0.00 0.00 0.00 0.00 34.83 34.76 1wgq s MET 10 CO 0.29 -0.17 0.67 -1.54 0.00 0.00 0.00 175.02 174.27 1wgq s SER 11 N 1.25 -0.67 0.00 1.11 1.04 -1.26 -2.45 113.70 112.71 1wgq s SER 11 Ca -0.08 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.45 1wgq s SER 11 Cb -0.12 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1wgq s SER 11 CO -0.06 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1wgq n GLY 12 N 2.04 3.61 3.74 7.32 0.00 -1.24 -5.07 105.19 115.58 1wgq n GLY 12 Ca -0.16 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 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 3.21 0.23 1.61 2.02 -1.26 -3.75 117.35 117.41 1wgq s TYR 13 Ca 0.00 1.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.89 1wgq s TYR 13 Cb 0.00 -3.65 -0.05 0.00 -0.40 0.00 0.00 41.96 37.87 1wgq s TYR 13 CO 0.00 -2.04 0.07 -0.51 -1.57 0.00 0.00 175.55 171.49 1wgq s LEU 14 N -0.12 1.79 -0.25 -1.29 1.43 0.11 -4.63 118.68 115.71 1wgq s LEU 14 Ca 0.57 -1.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1wgq s LEU 14 Cb -0.37 -0.01 0.01 0.00 0.03 0.00 0.00 46.19 45.85 1wgq s LEU 14 CO 0.39 -0.68 -0.02 -0.31 0.23 0.00 0.00 176.35 175.96 1wgq s TYR 15 N -3.71 3.05 -0.19 0.29 2.02 -1.19 0.22 117.35 117.83 1wgq s TYR 15 Ca 0.34 -1.26 -0.13 0.00 -0.37 0.00 0.00 57.07 55.65 1wgq s TYR 15 Cb 0.07 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 1wgq s TYR 15 CO 0.11 -0.65 0.25 0.50 -1.57 0.00 0.00 175.55 174.19 1wgq s ARG 16 N 1.41 4.20 0.40 -0.62 3.52 0.12 -1.54 118.95 126.43 1wgq s ARG 16 Ca 0.02 -0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.64 1wgq s ARG 16 Cb -0.16 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 1wgq s ARG 16 CO -0.03 0.17 0.05 0.45 -0.81 0.00 0.00 175.30 175.14 1wgq s SER 17 N 0.65 3.18 -0.20 -2.12 0.15 0.97 -0.20 113.70 116.13 1wgq s SER 17 Ca 0.13 -1.50 0.12 0.00 0.70 0.00 0.00 55.95 55.40 1wgq s SER 17 Cb -0.13 0.10 0.41 0.00 -1.71 0.00 0.00 66.02 64.70 1wgq s SER 17 CO 0.03 -0.69 1.22 0.29 1.20 0.00 0.00 173.24 175.28 1wgq n LYS 18 N -0.92 1.54 -1.28 5.44 4.76 -1.26 -2.05 118.16 124.39 1wgq n LYS 18 Ca -0.07 -3.25 0.00 0.00 -2.87 0.00 0.00 58.31 52.11 1wgq n LYS 18 Cb 0.66 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 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 -1.10 -0.11 0.12 0.72 0.00 -1.26 -4.84 105.19 98.73 1wgq n GLY 19 Ca 0.19 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 1wgq n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgq n SER 20 N 0.00 1.95 -0.04 1.61 7.64 -1.26 -4.34 113.62 119.19 1wgq n SER 20 Ca 0.00 0.34 0.11 0.00 1.01 0.00 0.00 58.87 60.33 1wgq n SER 20 Cb 0.00 -0.80 0.63 0.00 -1.01 0.00 0.00 64.21 63.03 1wgq n SER 20 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wgq n LYS 21 N -4.32 1.05 -2.45 1.43 5.02 -1.26 -4.83 118.16 112.80 1wgq n LYS 21 Ca -0.41 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.50 1wgq n LYS 21 Cb 0.76 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -1.99 3.80 0.49 1.97 -0.14 -1.26 -5.04 119.74 117.56 1wgq s LYS 22 Ca 0.32 0.71 -0.20 0.00 -1.36 0.00 0.00 55.97 55.44 1wgq s LYS 22 Cb 0.15 -2.22 -0.08 0.00 -1.68 0.00 0.00 37.83 34.00 1wgq s LYS 22 CO 0.25 -0.25 1.04 -1.25 -0.76 0.00 0.00 175.35 174.38 1wgq s PRO 23 N -4.27 3.79 0.35 -1.68 0.04 -1.26 -4.81 135.00 127.14 1wgq s PRO 23 Ca 0.55 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1wgq s PRO 23 Cb -0.10 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1wgq s PRO 23 CO 0.37 -0.44 0.71 -1.58 0.04 0.00 0.00 177.00 176.10 1wgq s TRP 24 N -2.01 3.44 -0.20 0.56 0.52 -1.26 -4.32 118.94 115.66 1wgq s TRP 24 Ca 0.67 1.03 -0.02 0.00 0.02 0.00 0.00 56.10 57.80 1wgq s TRP 24 Cb -0.16 -2.41 0.06 0.00 -1.15 0.00 0.00 33.47 29.81 1wgq s TRP 24 CO 0.21 0.03 0.01 0.15 0.02 0.00 0.00 176.95 177.36 1wgq s LYS 25 N -3.45 0.92 -0.09 4.98 1.02 0.72 -4.90 119.74 118.94 1wgq s LYS 25 Ca 0.51 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.64 1wgq s LYS 25 Cb -0.10 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.93 1wgq s LYS 25 CO 0.26 -0.62 1.72 -1.58 -0.92 0.00 0.00 175.35 174.21 1wgq s HIS 26 N 1.74 1.86 0.12 3.18 2.46 -1.26 0.11 115.29 123.50 1wgq s HIS 26 Ca -0.02 0.20 -0.04 0.00 0.47 0.00 0.00 55.06 55.67 1wgq s HIS 26 Cb -0.17 -3.97 -0.03 0.00 -0.13 0.00 0.00 32.58 28.28 1wgq s HIS 26 CO -0.07 -3.90 0.13 -0.51 -2.47 0.00 0.00 174.74 167.92 1wgq s LEU 27 N 4.59 1.59 -0.07 8.88 1.43 0.13 -4.95 118.68 130.29 1wgq s LEU 27 Ca 0.77 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1wgq s LEU 27 Cb -0.33 0.64 -0.03 0.00 0.03 0.00 0.00 46.19 46.51 1wgq s LEU 27 CO 0.31 -0.76 -0.07 0.86 0.23 0.00 0.00 176.35 176.92 1wgq s TRP 28 N -3.98 2.93 0.04 0.29 -0.11 -0.88 0.05 118.94 117.29 1wgq s TRP 28 Ca 0.17 0.02 -0.01 0.00 1.22 0.00 0.00 56.10 57.50 1wgq s TRP 28 Cb 0.06 -1.71 -0.04 0.00 -1.50 0.00 0.00 33.47 30.29 1wgq s TRP 28 CO -0.02 0.33 -0.03 -0.06 -4.62 0.00 0.00 176.95 172.55 1wgq s PHE 29 N -0.81 0.48 0.02 5.86 0.08 -1.25 0.37 117.98 122.73 1wgq s PHE 29 Ca 0.12 -0.93 -0.07 0.00 0.12 0.00 0.00 56.93 56.17 1wgq s PHE 29 Cb -0.11 -0.35 -0.00 0.00 -0.57 0.00 0.00 43.02 41.99 1wgq s PHE 29 CO 0.01 -0.32 0.14 0.08 -0.10 0.00 0.00 175.22 175.03 1wgq s VAL 30 N -3.30 0.11 -0.43 -0.44 1.01 -1.01 -3.61 120.40 112.73 1wgq s VAL 30 Ca 0.02 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1wgq s VAL 30 Cb 0.03 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.82 1wgq s VAL 30 CO -0.08 -0.48 0.25 -0.63 0.00 0.00 0.00 175.10 174.16 1wgq s ILE 31 N -2.08 3.77 -0.05 2.22 1.01 -1.02 -1.62 121.20 123.44 1wgq s ILE 31 Ca -0.09 -1.80 0.02 0.00 0.00 0.00 0.00 60.65 58.78 1wgq s ILE 31 Cb -0.04 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1wgq s ILE 31 CO -0.02 -0.65 -0.10 -0.75 0.00 0.00 0.00 174.94 173.42 1wgq s LYS 32 N 1.28 1.27 -1.89 2.79 2.20 -0.85 -4.49 119.74 120.06 1wgq s LYS 32 Ca 0.06 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1wgq s LYS 32 Cb -0.24 -1.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.96 1wgq s LYS 32 CO -0.02 0.05 0.00 -1.71 -0.36 0.00 0.00 175.35 173.32 1wgq n ASN 33 N 3.62 -5.33 -1.72 1.43 5.15 -1.26 -0.07 115.26 117.08 1wgq n ASN 33 Ca -0.21 0.28 -0.13 0.00 -0.60 0.00 0.00 54.58 53.92 1wgq n ASN 33 Cb 0.52 -4.60 0.01 0.00 -0.53 0.00 0.00 39.78 35.19 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 -2.59 -2.37 -4.78 1.20 5.02 -1.26 -4.99 118.16 108.39 1wgq n LYS 34 Ca -0.21 0.54 -0.26 0.00 -2.02 0.00 0.00 58.31 56.36 1wgq n LYS 34 Cb 0.66 -4.63 -0.16 0.00 -0.02 0.00 0.00 35.03 30.87 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 -2.83 1.38 -0.92 -0.18 1.01 0.90 -2.62 120.40 117.14 1wgq s VAL 35 Ca 0.13 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 1wgq s VAL 35 Cb -0.06 -1.22 0.10 0.00 0.00 0.00 0.00 36.38 35.21 1wgq s VAL 35 CO 0.16 0.41 1.19 -0.22 0.00 0.00 0.00 175.10 176.64 1wgq s LEU 36 N 0.35 4.61 0.37 3.92 1.98 0.15 -2.00 118.68 128.05 1wgq s LEU 36 Ca -0.11 -1.78 -0.24 0.00 -2.89 0.00 0.00 54.13 49.11 1wgq s LEU 36 Cb -0.14 -2.44 -0.10 0.00 0.66 0.00 0.00 46.19 44.16 1wgq s LEU 36 CO 0.04 -1.21 0.95 -0.31 -1.89 0.00 0.00 176.35 173.93 1wgq s TYR 37 N 3.39 3.52 0.33 5.38 2.02 -0.64 -2.76 117.35 128.58 1wgq s TYR 37 Ca 0.35 1.71 0.02 0.00 -0.37 0.00 0.00 57.07 58.78 1wgq s TYR 37 Cb -0.05 -2.91 -0.03 0.00 -0.40 0.00 0.00 41.96 38.57 1wgq s TYR 37 CO -0.07 0.03 0.51 0.99 -1.57 0.00 0.00 175.55 175.44 1wgq s THR 38 N -1.82 5.05 0.24 -0.71 2.01 -0.41 -2.40 115.64 117.61 1wgq s THR 38 Ca 0.55 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.72 1wgq s THR 38 Cb -0.15 -3.83 0.04 0.00 0.01 0.00 0.00 72.50 68.57 1wgq s THR 38 CO 0.20 -0.48 0.82 -0.31 -0.69 0.00 0.00 174.62 174.16 1wgq s TYR 39 N -2.24 -0.13 -0.04 4.92 2.02 0.16 -1.69 117.35 120.36 1wgq s TYR 39 Ca 0.39 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1wgq s TYR 39 Cb -0.09 0.70 -0.02 0.00 -0.40 0.00 0.00 41.96 42.14 1wgq s TYR 39 CO 0.34 -1.12 -0.03 0.00 -1.57 0.00 0.00 175.55 173.17 1wgq n ALA 40 N -0.48 1.92 -2.50 3.71 0.00 -1.26 -2.07 120.51 119.83 1wgq n ALA 40 Ca -0.05 -0.16 -0.24 0.00 0.00 0.00 0.00 53.44 52.99 1wgq n ALA 40 Cb 0.60 0.40 -0.10 0.00 0.00 0.00 0.00 19.45 20.35 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 2.71 0.06 0.00 0.00 -1.26 -4.51 121.76 116.69 1wgq s ALA 41 Ca -0.05 -2.02 -0.20 0.00 0.00 0.00 0.00 51.96 49.69 1wgq s ALA 41 Cb 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 1wgq s ALA 41 CO 0.09 0.01 1.33 1.03 0.00 0.00 0.00 175.76 178.22 1wgq h SER 42 N 2.12 -0.97 -2.33 0.00 0.87 -1.99 -3.06 113.55 108.20 1wgq h SER 42 Ca -0.41 0.11 -0.72 0.00 -1.23 0.00 0.00 61.79 59.54 1wgq h SER 42 Cb 1.24 0.36 -0.33 0.00 -0.44 0.00 0.00 62.40 63.23 1wgq h SER 42 CO 0.69 -0.32 0.30 -0.62 -0.53 0.00 0.00 176.83 176.35 1wgq n GLU 43 N -4.24 4.36 -1.87 2.24 1.02 -1.26 -5.05 120.64 115.84 1wgq n GLU 43 Ca -0.05 -4.73 -0.36 0.00 -0.02 0.00 0.00 57.16 52.00 1wgq n GLU 43 Cb 0.24 -2.38 0.05 0.00 -0.02 0.00 0.00 31.44 29.33 1wgq n GLU 43 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wgq s ASP 44 N -2.23 4.90 0.50 1.62 -1.08 -1.16 -4.85 116.67 114.37 1wgq s ASP 44 Ca 0.42 2.46 0.28 0.00 -0.52 0.00 0.00 52.55 55.19 1wgq s ASP 44 Cb 0.20 -2.60 1.36 0.00 -1.46 0.00 0.00 42.92 40.42 1wgq s ASP 44 CO -0.10 -1.79 1.86 -0.37 0.52 0.00 0.00 175.17 175.29 1wgq h VAL 45 N 0.66 0.56 -1.96 1.11 -1.51 -1.96 -3.44 116.25 109.71 1wgq h VAL 45 Ca -0.50 -0.05 0.22 0.00 -1.23 0.00 0.00 66.70 65.14 1wgq h VAL 45 Cb 1.31 0.41 -0.12 0.00 -2.13 0.00 0.00 31.29 30.77 1wgq h VAL 45 CO 0.54 0.02 0.63 0.00 -1.23 0.00 0.00 177.57 177.53 1wgq s ALA 46 N -5.13 -1.91 0.42 5.19 0.00 -1.26 -5.15 121.76 113.92 1wgq s ALA 46 Ca -0.06 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 1wgq s ALA 46 Cb 0.22 0.44 -0.08 0.00 0.00 0.00 0.00 23.12 23.70 1wgq s ALA 46 CO 0.78 -0.94 1.14 0.00 0.00 0.00 0.00 175.76 176.74 1wgq s ALA 47 N -2.90 3.08 0.10 0.00 0.00 -1.26 -4.81 121.76 115.96 1wgq s ALA 47 Ca 0.11 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 1wgq s ALA 47 Cb 0.01 -3.36 -0.19 0.00 0.00 0.00 0.00 23.12 19.58 1wgq s ALA 47 CO -0.02 -0.51 1.21 -0.07 0.00 0.00 0.00 175.76 176.37 1wgq h LEU 48 N 2.41 0.62 -8.38 0.00 3.38 -1.66 -3.48 115.31 108.20 1wgq h LEU 48 Ca -0.49 -0.55 -0.20 0.00 0.09 0.00 0.00 57.88 56.73 1wgq h LEU 48 Cb 1.23 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1wgq h LEU 48 CO 0.62 1.37 -0.08 -1.61 0.09 0.00 0.00 178.44 178.83 1wgq s GLU 49 N -3.07 1.95 -0.02 1.13 2.02 -1.26 -4.99 118.70 114.46 1wgq s GLU 49 Ca -0.07 -1.64 -0.02 0.00 0.02 0.00 0.00 54.97 53.27 1wgq s GLU 49 Cb 0.07 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.80 1wgq s GLU 49 CO 0.89 -0.83 0.05 -1.54 0.02 0.00 0.00 175.26 173.85 1wgq s SER 50 N -3.18 -0.04 -0.26 -0.19 1.04 -1.26 -1.28 113.70 108.53 1wgq s SER 50 Ca 0.26 0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.73 1wgq s SER 50 Cb -0.01 0.11 0.14 0.00 0.10 0.00 0.00 66.02 66.36 1wgq s SER 50 CO 0.17 -0.04 0.49 -1.58 0.98 0.00 0.00 173.24 173.26 1wgq s GLN 51 N -0.06 0.44 0.39 4.02 2.00 -1.11 -4.99 119.66 120.34 1wgq s GLN 51 Ca -0.01 0.91 -0.24 0.00 -2.00 0.00 0.00 55.36 54.01 1wgq s GLN 51 Cb -0.01 0.18 -0.09 0.00 0.80 0.00 0.00 33.01 33.89 1wgq s GLN 51 CO 0.00 -0.49 1.06 -1.25 -0.50 0.00 0.00 175.29 174.11 1wgq s PRO 52 N 2.70 4.18 -0.39 1.67 0.04 -1.26 0.32 135.00 142.26 1wgq s PRO 52 Ca 0.09 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1wgq s PRO 52 Cb -0.14 -2.58 0.45 0.00 0.04 0.00 0.00 34.50 32.28 1wgq s PRO 52 CO -0.17 -0.13 1.79 1.28 0.04 0.00 0.00 177.00 179.81 1wgq n LEU 53 N -0.01 6.19 -4.59 -3.56 4.77 -1.08 -4.82 117.00 113.90 1wgq n LEU 53 Ca 0.05 -3.30 -0.43 0.00 -0.03 0.00 0.00 56.01 52.30 1wgq n LEU 53 Cb 0.49 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1wgq n LEU 53 CO 0.46 1.04 0.96 -0.22 -1.33 0.00 0.00 177.39 178.29 1wgq s LEU 54 N -2.59 3.74 0.00 2.23 1.98 -1.26 -3.37 118.68 119.41 1wgq s LEU 54 Ca 0.44 0.40 0.00 0.00 -2.89 0.00 0.00 54.13 52.09 1wgq s LEU 54 Cb 0.37 -3.46 0.00 0.00 0.66 0.00 0.00 46.19 43.76 1wgq s LEU 54 CO 0.06 -1.19 0.00 0.61 -1.89 0.00 0.00 176.35 173.94 1wgq n GLY 55 N 4.83 2.86 3.06 7.98 0.00 -1.26 -5.02 105.19 117.64 1wgq n GLY 55 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.07 -2.78 -3.98 1.61 3.01 -1.22 -4.25 117.46 109.78 1wgq n PHE 56 Ca 0.00 -0.24 -0.09 0.00 1.01 0.00 0.00 57.45 58.13 1wgq n PHE 56 Cb 0.00 -1.37 -0.05 0.00 -0.01 0.00 0.00 39.48 38.05 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 -2.08 0.00 0.01 4.37 2.01 0.48 -4.73 115.64 115.70 1wgq s THR 57 Ca 0.43 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 1wgq s THR 57 Cb -0.08 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1wgq s THR 57 CO 0.38 0.00 0.07 -0.69 -0.69 0.00 0.00 174.62 173.68 1wgq s VAL 58 N -3.92 0.10 -0.05 3.82 1.01 -1.26 0.71 120.40 120.81 1wgq s VAL 58 Ca 0.21 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 1wgq s VAL 58 Cb -0.01 -0.41 0.06 0.00 0.00 0.00 0.00 36.38 36.02 1wgq s VAL 58 CO 0.09 -0.45 0.59 0.28 0.00 0.00 0.00 175.10 175.62 1wgq s THR 59 N -1.53 0.01 0.31 3.92 -1.32 -1.11 -4.92 115.64 111.00 1wgq s THR 59 Ca -0.14 -0.11 -0.27 0.00 -1.21 0.00 0.00 61.69 59.96 1wgq s THR 59 Cb -0.08 -0.91 -0.10 0.00 -1.51 0.00 0.00 72.50 69.90 1wgq s THR 59 CO 0.00 -0.06 0.96 -0.22 -2.21 0.00 0.00 174.62 173.09 1wgq s LEU 60 N -1.19 4.39 -0.07 9.08 1.98 -1.26 -1.45 118.68 130.16 1wgq s LEU 60 Ca -0.11 1.88 0.04 0.00 -2.89 0.00 0.00 54.13 53.05 1wgq s LEU 60 Cb -0.01 -3.94 -0.00 0.00 0.66 0.00 0.00 46.19 42.89 1wgq s LEU 60 CO 0.08 -0.06 -0.20 0.54 -1.89 0.00 0.00 176.35 174.83 1wgq s VAL 61 N -1.53 1.67 -0.44 1.68 0.11 -0.81 -4.91 120.40 116.16 1wgq s VAL 61 Ca 0.49 -0.82 -0.22 0.00 -2.93 0.00 0.00 61.98 58.49 1wgq s VAL 61 Cb -0.21 -1.44 0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1wgq s VAL 61 CO 0.26 0.47 0.75 -0.54 -3.33 0.00 0.00 175.10 172.71 1wgq s LYS 62 N 0.20 3.38 0.36 1.54 3.01 -1.26 -4.54 119.74 122.44 1wgq s LYS 62 Ca -0.10 -0.16 0.08 0.00 -1.01 0.00 0.00 55.97 54.78 1wgq s LYS 62 Cb -0.14 -3.94 -0.04 0.00 -1.01 0.00 0.00 37.83 32.70 1wgq s LYS 62 CO 0.05 -1.08 0.22 0.34 0.51 0.00 0.00 175.35 175.39 1wgq s ASP 63 N 2.09 4.85 0.41 2.83 -1.08 0.52 -5.01 116.67 121.28 1wgq s ASP 63 Ca 0.28 -0.75 0.20 0.00 -0.52 0.00 0.00 52.55 51.77 1wgq s ASP 63 Cb -0.13 -0.72 0.87 0.00 -1.46 0.00 0.00 42.92 41.48 1wgq s ASP 63 CO 0.22 -0.41 1.83 1.05 0.52 0.00 0.00 175.17 178.38 1wgq h GLU 64 N 1.37 0.00 0.00 4.34 4.11 -1.99 -3.32 114.58 119.09 1wgq h GLU 64 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1wgq h GLU 64 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1wgq h GLU 64 CO 0.62 0.30 -0.32 -0.91 0.07 0.00 0.00 179.01 178.78 1wgq h ASN 65 N 0.00 0.00 -3.27 3.06 2.35 -2.00 -3.47 115.58 112.25 1wgq h ASN 65 Ca -0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.11 1wgq h ASN 65 Cb 0.73 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.93 1wgq h ASN 65 CO 0.04 0.50 -0.59 -0.44 -1.65 0.00 0.00 177.43 175.28 1wgq s SER 66 N -4.99 5.39 -0.08 5.81 0.01 -1.25 -4.99 113.70 113.60 1wgq s SER 66 Ca -0.09 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.22 1wgq s SER 66 Cb 0.01 -1.85 -0.25 0.00 0.21 0.00 0.00 66.02 64.14 1wgq s SER 66 CO 0.14 0.21 0.53 -0.33 0.41 0.00 0.00 173.24 174.20 1wgq h GLU 67 N 6.39 0.18 -0.14 12.44 5.08 -1.85 0.15 114.58 136.82 1wgq h GLU 67 Ca -0.38 -0.31 -0.19 0.00 -1.00 0.00 0.00 59.36 57.48 1wgq h GLU 67 Cb 1.18 0.12 -0.30 0.00 0.50 0.00 0.00 28.75 30.24 1wgq h GLU 67 CO 0.66 0.97 -0.79 0.45 -1.00 0.00 0.00 179.01 179.30 1wgq n SER 68 N -3.34 0.38 -0.27 1.42 2.88 -1.26 -4.28 113.62 109.15 1wgq n SER 68 Ca -0.25 -2.05 0.08 0.00 -1.33 0.00 0.00 58.87 55.32 1wgq n SER 68 Cb 1.05 -0.07 0.13 0.00 -0.75 0.00 0.00 64.21 64.56 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 -0.33 1.09 -3.74 -1.46 5.02 -1.26 -4.64 118.16 112.85 1wgq n LYS 69 Ca -0.04 -2.44 -0.12 0.00 -2.02 0.00 0.00 58.31 53.68 1wgq n LYS 69 Cb 0.91 -1.32 -0.11 0.00 -0.02 0.00 0.00 35.03 34.49 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 -2.41 -0.01 0.38 -0.18 0.11 -1.26 -2.69 120.40 114.35 1wgq s VAL 70 Ca 0.28 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.41 1wgq s VAL 70 Cb 0.26 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1wgq s VAL 70 CO 0.00 0.01 0.14 0.72 -3.33 0.00 0.00 175.10 172.65 1wgq s PHE 71 N 0.56 1.77 0.03 1.54 -0.71 -0.42 -1.93 117.98 118.81 1wgq s PHE 71 Ca -0.03 -1.31 0.03 0.00 -1.04 0.00 0.00 56.93 54.58 1wgq s PHE 71 Cb -0.05 -1.08 -0.02 0.00 -1.21 0.00 0.00 43.02 40.66 1wgq s PHE 71 CO -0.03 -0.37 -0.10 -0.65 -1.34 0.00 0.00 175.22 172.73 1wgq s GLN 72 N -3.71 0.69 -0.67 1.99 -0.21 -0.53 -1.42 119.66 115.81 1wgq s GLN 72 Ca 0.28 -0.61 -0.19 0.00 0.02 0.00 0.00 55.36 54.86 1wgq s GLN 72 Cb 0.03 -0.62 0.11 0.00 1.00 0.00 0.00 33.01 33.53 1wgq s GLN 72 CO 0.16 0.15 0.80 -1.17 -2.12 0.00 0.00 175.29 173.12 1wgq s LEU 73 N -1.00 5.33 0.34 2.90 2.96 -0.66 -2.75 118.68 125.82 1wgq s LEU 73 Ca -0.02 -1.57 -0.24 0.00 -0.22 0.00 0.00 54.13 52.08 1wgq s LEU 73 Cb -0.07 -2.32 -0.10 0.00 0.50 0.00 0.00 46.19 44.20 1wgq s LEU 73 CO 0.01 -1.11 0.92 -0.76 -1.32 0.00 0.00 176.35 174.09 1wgq s LEU 74 N 2.65 4.24 -0.07 -0.68 1.43 0.22 0.12 118.68 126.58 1wgq s LEU 74 Ca 0.16 1.76 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 1wgq s LEU 74 Cb -0.19 -4.11 0.03 0.00 0.03 0.00 0.00 46.19 41.95 1wgq s LEU 74 CO 0.03 -0.13 0.03 -2.28 0.23 0.00 0.00 176.35 174.23 1wgq s HIS 75 N -1.75 0.46 -0.71 0.29 5.65 0.69 0.18 115.29 120.11 1wgq s HIS 75 Ca 0.53 -0.06 0.00 0.00 0.25 0.00 0.00 55.06 55.77 1wgq s HIS 75 Cb -0.16 -0.70 0.00 0.00 -1.18 0.00 0.00 32.58 30.54 1wgq s HIS 75 CO 0.21 -0.30 0.00 0.36 -0.65 0.00 0.00 174.74 174.36 1wgq n LYS 76 N 5.20 -1.83 0.00 2.88 2.85 -1.26 -0.12 118.16 125.88 1wgq n LYS 76 Ca -0.06 0.73 0.00 0.00 -1.05 0.00 0.00 58.31 57.93 1wgq n LYS 76 Cb 0.50 -5.18 0.00 0.00 -0.65 0.00 0.00 35.03 29.70 1wgq n LYS 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wgq n GLY 77 N 0.55 1.69 3.81 2.58 0.00 -1.26 -5.07 105.19 107.50 1wgq n GLY 77 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.04 4.19 0.40 1.61 0.23 0.83 -4.98 119.30 121.54 1wgq s MET 78 Ca 0.00 0.73 -0.27 0.00 -1.03 0.00 0.00 55.69 55.12 1wgq s MET 78 Cb 0.00 -3.20 -0.10 0.00 -1.53 0.00 0.00 34.83 30.01 1wgq s MET 78 CO 0.00 0.62 1.42 0.08 -2.03 0.00 0.00 175.02 175.11 1wgq s VAL 79 N -1.16 2.21 -0.14 5.16 1.01 -1.26 0.25 120.40 126.47 1wgq s VAL 79 Ca 0.30 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1wgq s VAL 79 Cb -0.19 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1wgq s VAL 79 CO 0.19 0.04 -0.11 0.33 0.00 0.00 0.00 175.10 175.55 1wgq n PHE 80 N 0.21 0.00 -3.84 5.22 7.35 0.32 -4.73 117.46 121.99 1wgq n PHE 80 Ca 0.03 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.67 1wgq n PHE 80 Cb 0.41 -0.56 0.02 0.00 0.35 0.00 0.00 39.48 39.70 1wgq n PHE 80 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1wgq n TYR 81 N -2.86 -1.64 -3.97 -5.13 4.01 -1.17 -4.99 117.16 101.40 1wgq n TYR 81 Ca -0.25 -1.40 -0.30 0.00 -0.16 0.00 0.00 57.90 55.80 1wgq n TYR 81 Cb 0.79 0.69 -0.16 0.00 -0.31 0.00 0.00 39.34 40.34 1wgq n TYR 81 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1wgq s VAL 82 N -2.10 1.48 -0.08 -0.72 1.01 -0.87 -1.65 120.40 117.47 1wgq s VAL 82 Ca 0.20 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1wgq s VAL 82 Cb -0.03 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1wgq s VAL 82 CO 0.07 0.23 -0.04 -0.36 0.00 0.00 0.00 175.10 175.00 1wgq s PHE 83 N 1.48 3.03 0.10 5.22 0.08 -0.50 -0.02 117.98 127.38 1wgq s PHE 83 Ca 0.01 0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.20 1wgq s PHE 83 Cb -0.15 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1wgq s PHE 83 CO -0.09 0.35 -0.18 0.21 -0.10 0.00 0.00 175.22 175.41 1wgq s LYS 84 N -0.72 1.84 0.23 0.44 2.20 -0.59 -1.30 119.74 121.84 1wgq s LYS 84 Ca 0.11 -1.14 0.08 0.00 -0.36 0.00 0.00 55.97 54.66 1wgq s LYS 84 Cb -0.11 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.03 1wgq s LYS 84 CO 0.02 0.49 0.02 0.00 -0.36 0.00 0.00 175.35 175.52 1wgq s ALA 85 N -1.11 3.23 0.04 3.13 0.00 -1.09 -3.20 121.76 122.75 1wgq s ALA 85 Ca 0.18 -1.51 -0.21 0.00 0.00 0.00 0.00 51.96 50.42 1wgq s ALA 85 Cb -0.11 -0.93 -0.11 0.00 0.00 0.00 0.00 23.12 21.97 1wgq s ALA 85 CO 0.10 0.35 1.31 0.22 0.00 0.00 0.00 175.76 177.74 1wgq h ASP 86 N 2.16 -0.66 -5.46 0.00 1.82 -1.87 -3.46 116.42 108.94 1wgq h ASP 86 Ca -0.46 0.03 -0.63 0.00 -0.39 0.00 0.00 57.03 55.58 1wgq h ASP 86 Cb 1.23 0.18 -0.09 0.00 0.68 0.00 0.00 39.33 41.34 1wgq h ASP 86 CO 0.59 -0.43 -0.39 0.47 -1.61 0.00 0.00 179.24 177.87 1wgq n ASP 87 N -4.02 3.12 -0.06 2.28 8.00 -1.26 -5.03 116.55 119.59 1wgq n ASP 87 Ca -0.09 -3.10 -0.10 0.00 0.71 0.00 0.00 54.79 52.21 1wgq n ASP 87 Cb 0.29 0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 1wgq n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgq h ALA 88 N 0.98 0.28 0.13 2.24 0.00 -1.88 -2.66 119.26 118.34 1wgq h ALA 88 Ca -0.39 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1wgq h ALA 88 Cb 1.30 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1wgq h ALA 88 CO 0.64 -0.19 -0.48 0.45 0.00 0.00 0.00 179.25 179.66 1wgq h HIS 89 N 0.23 -1.39 -0.97 0.00 3.86 -1.96 -2.09 115.15 112.83 1wgq h HIS 89 Ca 0.08 0.04 0.12 0.00 -1.16 0.00 0.00 60.37 59.44 1wgq h HIS 89 Cb 0.08 0.59 -0.14 0.00 1.06 0.00 0.00 27.41 29.00 1wgq h HIS 89 CO -0.03 -0.57 -0.49 0.77 0.86 0.00 0.00 177.93 178.47 1wgq h SER 90 N -0.72 -1.79 -0.46 2.45 0.02 -1.93 0.16 113.55 111.28 1wgq h SER 90 Ca 0.01 0.32 0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1wgq h SER 90 Cb 0.74 0.85 -0.08 0.00 0.14 0.00 0.00 62.40 64.04 1wgq h SER 90 CO -0.27 -0.26 -0.53 0.74 -1.14 0.00 0.00 176.83 175.37 1wgq h THR 91 N -0.01 0.00 -0.41 -2.27 2.02 -1.05 0.95 112.91 112.14 1wgq h THR 91 Ca 0.25 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.51 1wgq h THR 91 Cb 0.51 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.83 1wgq h THR 91 CO -0.95 0.00 -0.25 1.56 0.37 0.00 0.00 175.52 176.25 1wgq h GLN 92 N -0.33 -0.17 -0.19 6.66 1.08 -0.23 1.11 115.11 123.04 1wgq h GLN 92 Ca 0.08 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1wgq h GLN 92 Cb 0.54 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 1wgq h GLN 92 CO -0.60 -0.12 -0.08 0.00 -0.95 0.00 0.00 178.83 177.08 1wgq h ARG 93 N -0.18 -0.05 -0.30 1.46 -0.00 0.79 0.23 114.38 116.33 1wgq h ARG 93 Ca 0.19 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.71 1wgq h ARG 93 Cb 0.49 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.44 1wgq h ARG 93 CO -0.52 -0.03 0.12 -1.49 0.00 0.00 0.00 179.97 178.05 1wgq h TRP 94 N -0.05 0.22 0.00 3.04 4.06 0.22 1.14 115.95 124.58 1wgq h TRP 94 Ca 0.10 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.06 1wgq h TRP 94 Cb 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1wgq h TRP 94 CO -0.24 0.11 0.00 -0.89 -3.56 0.00 0.00 178.44 173.86 1wgq n ILE 95 N -5.00 0.00 -0.29 1.49 5.41 0.37 0.13 119.36 121.47 1wgq n ILE 95 Ca -0.00 1.45 0.20 0.00 1.00 0.00 0.00 62.75 65.39 1wgq n ILE 95 Cb 0.10 -2.26 0.49 0.00 -0.71 0.00 0.00 39.64 37.26 1wgq n ILE 95 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1wgq h ASP 96 N 0.00 0.46 -0.51 4.38 3.58 -0.49 1.41 116.42 125.25 1wgq h ASP 96 Ca 0.00 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 1wgq h ASP 96 Cb 0.00 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 1wgq h ASP 96 CO 0.00 0.15 0.20 0.00 -2.88 0.00 0.00 179.24 176.71 1wgq h ALA 97 N 1.61 1.32 0.08 -0.78 0.00 0.23 0.41 119.26 122.13 1wgq h ALA 97 Ca 0.53 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.99 1wgq h ALA 97 Cb 1.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1wgq h ALA 97 CO -0.24 0.50 -1.48 0.74 0.00 0.00 0.00 179.25 178.78 1wgq h PHE 98 N 0.80 0.32 -0.45 0.00 0.04 0.86 -3.12 116.94 115.38 1wgq h PHE 98 Ca 0.19 -0.24 -0.11 0.00 2.80 0.00 0.00 57.97 60.61 1wgq h PHE 98 Cb 0.19 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1wgq h PHE 98 CO 0.01 1.28 -0.15 1.96 -0.60 0.00 0.00 178.31 180.80 1wgq h GLN 99 N 0.05 0.91 0.00 1.51 1.08 0.18 -2.58 115.11 116.25 1wgq h GLN 99 Ca -0.21 -0.37 -0.06 0.00 -1.45 0.00 0.00 58.65 56.56 1wgq h GLN 99 Cb 1.98 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.36 1wgq h GLN 99 CO 0.15 1.02 -0.28 0.93 -0.95 0.00 0.00 178.83 179.70 1wgq h GLU 100 N 0.74 0.00 0.15 1.46 5.08 -0.31 -2.06 114.58 119.65 1wgq h GLU 100 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1wgq h GLU 100 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1wgq h GLU 100 CO 0.05 0.28 -0.07 0.78 -1.00 0.00 0.00 179.01 179.05 1wgq h GLY 101 N 1.23 -0.21 0.98 -3.84 0.00 -1.40 -3.20 103.07 96.62 1wgq h GLY 101 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1wgq h GLY 101 CO 0.04 -0.08 0.27 -0.91 0.00 0.00 0.00 176.54 175.86 1wgq h THR 102 N -0.52 1.18 -1.23 4.70 1.35 -1.36 -3.44 112.91 113.59 1wgq h THR 102 Ca -0.02 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1wgq h THR 102 Cb 0.40 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1wgq h THR 102 CO 0.03 0.19 0.00 1.33 -0.25 0.00 0.00 175.52 176.83 1wgq n VAL 103 N -4.64 0.00 -3.09 6.82 0.24 -0.78 -4.50 118.33 112.38 1wgq n VAL 103 Ca 0.02 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.35 1wgq n VAL 103 Cb 0.09 -1.96 -0.00 0.00 -1.47 0.00 0.00 33.84 30.51 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 -1.03 0.12 -1.34 0.01 -1.26 -4.90 113.70 104.30 1wgq s SER 104 Ca 0.00 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.13 1wgq s SER 104 Cb 0.00 1.50 0.01 0.00 0.21 0.00 0.00 66.02 67.74 1wgq s SER 104 CO 0.00 -0.16 0.08 0.61 0.41 0.00 0.00 173.24 174.18 1wgq n GLY 105 N 4.77 3.09 3.56 3.44 0.00 -1.26 -5.03 105.19 113.77 1wgq n GLY 105 Ca 0.08 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.47 3.09 1.02 1.61 0.04 -1.26 -4.96 135.00 132.07 1wgq s PRO 106 Ca 0.06 -0.77 -0.21 0.00 0.04 0.00 0.00 61.00 60.12 1wgq s PRO 106 Cb -0.00 -5.23 -0.09 0.00 0.04 0.00 0.00 34.50 29.22 1wgq s PRO 106 CO 0.04 -2.80 -0.75 0.45 0.04 0.00 0.00 177.00 173.98 1wgq n SER 107 N 11.38 -3.54 0.13 6.66 2.88 -1.26 -4.97 113.62 124.90 1wgq n SER 107 Ca 0.37 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1wgq n SER 107 Cb 0.49 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1wgq n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgq n SER 108 N 1.68 0.08 0.00 -3.46 2.88 -1.26 -5.28 113.62 108.27 1wgq n SER 108 Ca -0.00 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1wgq n SER 108 Cb 0.65 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1wgq n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42