#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 7.19 -0.28 1.61 0.01 -1.26 -5.05 113.70 115.92 1wgq s SER 2 Ca 0.00 1.96 -0.19 0.00 1.31 0.00 0.00 55.95 59.02 1wgq s SER 2 Cb 0.00 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.73 1wgq s SER 2 CO 0.00 -0.18 0.79 -0.55 0.41 0.00 0.00 173.24 173.70 1wgq s SER 3 N -1.48 -0.76 0.00 2.44 0.15 -1.26 -5.12 113.70 107.66 1wgq s SER 3 Ca 0.51 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1wgq s SER 3 Cb -0.22 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1wgq s SER 3 CO 0.28 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1wgq n GLY 4 N 3.56 0.63 3.01 9.45 0.00 -1.26 -5.07 105.19 115.52 1wgq n GLY 4 Ca -0.17 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.04 3.41 -0.13 1.61 0.15 -1.26 -4.99 113.70 112.46 1wgq s SER 5 Ca 0.00 -0.88 -0.13 0.00 0.70 0.00 0.00 55.95 55.64 1wgq s SER 5 Cb 0.00 -1.28 -0.05 0.00 -1.71 0.00 0.00 66.02 62.98 1wgq s SER 5 CO 0.00 -0.13 -0.26 -0.24 1.20 0.00 0.00 173.24 173.81 1wgq n SER 6 N 4.66 1.68 0.00 5.45 2.88 -1.26 -5.07 113.62 121.97 1wgq n SER 6 Ca -0.15 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1wgq n SER 6 Cb 0.47 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 1.93 2.06 3.79 0.46 0.00 -1.26 -5.09 105.19 107.07 1wgq n GLY 7 Ca -0.16 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.91 4.63 0.00 1.61 0.01 -1.26 -4.97 113.70 112.80 1wgq s SER 8 Ca 0.00 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1wgq s SER 8 Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1wgq s SER 8 CO 0.00 -1.91 0.82 0.41 0.41 0.00 0.00 173.24 172.97 1wgq n THR 9 N -3.42 0.00 -3.99 1.44 -1.04 -1.26 -4.73 114.28 101.28 1wgq n THR 9 Ca 0.07 1.32 -0.10 0.00 -2.04 0.00 0.00 64.05 63.30 1wgq n THR 9 Cb 0.55 -1.87 -0.11 0.00 -1.82 0.00 0.00 70.33 67.07 1wgq n THR 9 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1wgq s MET 10 N -2.29 0.32 -0.00 -2.82 0.00 -1.26 -5.07 119.30 108.18 1wgq s MET 10 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 55.69 54.83 1wgq s MET 10 Cb 0.00 0.01 0.10 0.00 0.00 0.00 0.00 34.83 34.94 1wgq s MET 10 CO 0.00 -0.02 1.09 -1.54 0.00 0.00 0.00 175.02 174.55 1wgq s SER 11 N -1.30 -0.17 0.00 1.11 1.04 -1.26 -3.26 113.70 109.86 1wgq s SER 11 Ca -0.13 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1wgq s SER 11 Cb -0.09 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1wgq s SER 11 CO -0.01 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1wgq n GLY 12 N -0.35 4.65 3.77 7.32 0.00 -1.25 -5.08 105.19 114.26 1wgq n GLY 12 Ca -0.06 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.79 2.83 0.23 1.61 2.02 -1.26 -4.06 117.35 116.93 1wgq s TYR 13 Ca 0.00 1.26 0.04 0.00 -0.37 0.00 0.00 57.07 58.00 1wgq s TYR 13 Cb 0.00 -3.85 -0.02 0.00 -0.40 0.00 0.00 41.96 37.69 1wgq s TYR 13 CO 0.00 -2.47 0.22 1.28 -1.57 0.00 0.00 175.55 173.00 1wgq n LEU 14 N 0.82 0.00 -3.86 -1.29 4.77 -0.57 -4.78 117.00 112.09 1wgq n LEU 14 Ca 0.01 -2.14 -0.26 0.00 -0.03 0.00 0.00 56.01 53.59 1wgq n LEU 14 Cb 0.40 1.25 -0.17 0.00 -2.33 0.00 0.00 43.42 42.57 1wgq n LEU 14 CO 0.61 -0.38 -0.42 -0.31 -1.33 0.00 0.00 177.39 175.57 1wgq s TYR 15 N -3.03 1.26 -0.29 -1.77 2.02 -1.24 -1.76 117.35 112.54 1wgq s TYR 15 Ca 0.26 -0.63 -0.18 0.00 -0.37 0.00 0.00 57.07 56.15 1wgq s TYR 15 Cb 0.01 -1.11 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1wgq s TYR 15 CO 0.19 -0.48 0.52 0.50 -1.57 0.00 0.00 175.55 174.71 1wgq s ARG 16 N 1.78 3.94 -0.09 -0.62 3.52 -0.75 -3.03 118.95 123.71 1wgq s ARG 16 Ca 0.04 0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.86 1wgq s ARG 16 Cb -0.13 -3.70 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 1wgq s ARG 16 CO -0.07 -0.45 -0.17 -1.12 -0.81 0.00 0.00 175.30 172.68 1wgq s SER 17 N 1.62 2.37 0.00 -2.12 0.01 -0.83 -2.91 113.70 111.84 1wgq s SER 17 Ca 0.21 -0.42 0.16 0.00 1.31 0.00 0.00 55.95 57.21 1wgq s SER 17 Cb -0.15 -1.09 0.71 0.00 0.21 0.00 0.00 66.02 65.70 1wgq s SER 17 CO 0.11 0.08 1.49 0.29 0.41 0.00 0.00 173.24 175.62 1wgq n LYS 18 N 3.77 0.06 0.00 12.44 4.01 -1.26 0.47 118.16 137.65 1wgq n LYS 18 Ca -0.21 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1wgq n LYS 18 Cb 0.52 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 1wgq n LYS 18 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wgq n GLY 19 N 0.11 2.73 0.58 0.72 0.00 -1.26 -4.83 105.19 103.24 1wgq n GLY 19 Ca 0.05 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 1.15 0.00 1.61 7.64 -1.26 -4.52 113.62 118.24 1wgq n SER 20 Ca 0.00 0.19 0.09 0.00 1.01 0.00 0.00 58.87 60.16 1wgq n SER 20 Cb 0.00 -0.45 0.49 0.00 -1.01 0.00 0.00 64.21 63.24 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 -3.73 0.29 -2.25 1.43 5.02 -1.26 -4.76 118.16 112.90 1wgq n LYS 21 Ca -0.20 0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 55.87 1wgq n LYS 21 Cb 0.54 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.54 3.84 0.04 1.97 -0.14 -1.26 -5.01 119.74 116.64 1wgq s LYS 22 Ca 0.19 0.88 -0.30 0.00 -1.36 0.00 0.00 55.97 55.37 1wgq s LYS 22 Cb 0.13 -2.13 -0.05 0.00 -1.68 0.00 0.00 37.83 34.10 1wgq s LYS 22 CO 0.29 -0.35 1.17 -1.25 -0.76 0.00 0.00 175.35 174.44 1wgq s PRO 23 N -4.40 4.44 0.74 -1.68 0.04 -1.26 -4.87 135.00 128.00 1wgq s PRO 23 Ca 0.57 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 1wgq s PRO 23 Cb -0.10 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 31.09 1wgq s PRO 23 CO 0.38 -0.25 1.10 -1.58 0.04 0.00 0.00 177.00 176.70 1wgq s TRP 24 N 1.17 2.53 -0.09 0.56 0.52 -1.26 -4.78 118.94 117.60 1wgq s TRP 24 Ca 0.58 1.57 -0.01 0.00 0.02 0.00 0.00 56.10 58.25 1wgq s TRP 24 Cb -0.28 -3.12 0.03 0.00 -1.15 0.00 0.00 33.47 28.95 1wgq s TRP 24 CO 0.28 -1.83 -0.03 0.15 0.02 0.00 0.00 176.95 175.55 1wgq s LYS 25 N -4.56 0.96 -0.19 4.98 1.02 -1.15 -4.97 119.74 115.84 1wgq s LYS 25 Ca 0.64 -0.03 -0.29 0.00 0.02 0.00 0.00 55.97 56.31 1wgq s LYS 25 Cb -0.19 -1.20 -0.02 0.00 -0.52 0.00 0.00 37.83 35.89 1wgq s LYS 25 CO 0.50 -0.29 1.46 -1.58 -0.92 0.00 0.00 175.35 174.52 1wgq s HIS 26 N 1.87 2.41 0.22 3.18 5.65 -1.26 -1.80 115.29 125.56 1wgq s HIS 26 Ca 0.05 0.68 -0.05 0.00 0.25 0.00 0.00 55.06 55.98 1wgq s HIS 26 Cb -0.12 -3.81 -0.03 0.00 -1.18 0.00 0.00 32.58 27.44 1wgq s HIS 26 CO -0.06 -2.51 0.27 -0.51 -0.65 0.00 0.00 174.74 171.27 1wgq s LEU 27 N 4.30 0.85 -0.01 8.88 1.43 -0.72 -5.00 118.68 128.41 1wgq s LEU 27 Ca 0.64 -1.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1wgq s LEU 27 Cb -0.24 0.91 -0.02 0.00 0.03 0.00 0.00 46.19 46.87 1wgq s LEU 27 CO 0.24 -0.96 -0.23 0.86 0.23 0.00 0.00 176.35 176.49 1wgq s TRP 28 N -4.07 2.43 0.08 0.29 -0.11 -1.20 -1.51 118.94 114.85 1wgq s TRP 28 Ca 0.33 -0.36 0.01 0.00 1.22 0.00 0.00 56.10 57.30 1wgq s TRP 28 Cb 0.04 -1.51 -0.04 0.00 -1.50 0.00 0.00 33.47 30.46 1wgq s TRP 28 CO 0.11 0.06 -0.06 -0.06 -4.62 0.00 0.00 176.95 172.38 1wgq s PHE 29 N -0.69 0.79 0.14 5.86 0.08 -1.26 -0.01 117.98 122.89 1wgq s PHE 29 Ca 0.11 -0.88 -0.14 0.00 0.12 0.00 0.00 56.93 56.14 1wgq s PHE 29 Cb -0.10 -0.47 0.02 0.00 -0.57 0.00 0.00 43.02 41.90 1wgq s PHE 29 CO 0.00 -0.18 0.38 0.08 -0.10 0.00 0.00 175.22 175.40 1wgq s VAL 30 N -3.32 0.07 -0.45 -0.44 1.01 -0.92 -3.81 120.40 112.53 1wgq s VAL 30 Ca 0.07 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1wgq s VAL 30 Cb 0.03 -1.38 0.13 0.00 0.00 0.00 0.00 36.38 35.16 1wgq s VAL 30 CO -0.05 -0.32 0.22 -0.63 0.00 0.00 0.00 175.10 174.32 1wgq s ILE 31 N -3.85 1.95 0.00 2.22 1.01 -1.20 -1.47 121.20 119.85 1wgq s ILE 31 Ca 0.07 -2.78 0.00 0.00 0.00 0.00 0.00 60.65 57.94 1wgq s ILE 31 Cb 0.02 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1wgq s ILE 31 CO -0.08 -0.81 0.00 1.17 0.00 0.00 0.00 174.94 175.22 1wgq n LYS 32 N 3.52 0.00 -3.36 2.79 4.81 -1.17 -4.48 118.16 120.27 1wgq n LYS 32 Ca 0.06 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.07 1wgq n LYS 32 Cb 0.35 -0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.38 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 5.37 -2.84 3.14 5.15 -1.26 -4.67 115.26 120.15 1wgq n ASN 33 Ca 0.00 -3.10 -0.10 0.00 -0.60 0.00 0.00 54.58 50.78 1wgq n ASN 33 Cb 0.00 -1.30 -0.01 0.00 -0.53 0.00 0.00 39.78 37.94 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 2.43 -2.62 -4.33 1.20 5.02 -1.26 -4.87 118.16 113.73 1wgq n LYS 34 Ca 0.24 0.16 -0.24 0.00 -2.02 0.00 0.00 58.31 56.44 1wgq n LYS 34 Cb 0.38 -4.70 -0.17 0.00 -0.02 0.00 0.00 35.03 30.52 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 -2.35 0.97 -0.81 -0.18 1.01 -1.26 -1.73 120.40 116.06 1wgq s VAL 35 Ca 0.15 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 1wgq s VAL 35 Cb -0.08 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.41 1wgq s VAL 35 CO 0.18 0.33 1.26 -0.22 0.00 0.00 0.00 175.10 176.65 1wgq s LEU 36 N 0.98 3.59 -0.11 3.92 1.98 0.16 -3.06 118.68 126.13 1wgq s LEU 36 Ca -0.09 -0.91 -0.25 0.00 -2.89 0.00 0.00 54.13 49.99 1wgq s LEU 36 Cb -0.15 -2.53 -0.03 0.00 0.66 0.00 0.00 46.19 44.15 1wgq s LEU 36 CO 0.00 -1.63 0.77 -0.31 -1.89 0.00 0.00 176.35 173.29 1wgq s TYR 37 N 5.04 3.51 0.50 5.38 2.02 -0.54 -2.94 117.35 130.33 1wgq s TYR 37 Ca 0.35 1.27 -0.10 0.00 -0.37 0.00 0.00 57.07 58.23 1wgq s TYR 37 Cb -0.07 -2.91 -0.05 0.00 -0.40 0.00 0.00 41.96 38.52 1wgq s TYR 37 CO 0.06 -0.06 0.88 0.99 -1.57 0.00 0.00 175.55 175.85 1wgq s THR 38 N 1.39 4.75 0.11 -0.71 2.01 0.10 -2.16 115.64 121.13 1wgq s THR 38 Ca 0.39 0.69 -0.02 0.00 0.31 0.00 0.00 61.69 63.06 1wgq s THR 38 Cb -0.17 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.54 1wgq s THR 38 CO 0.16 -0.81 0.18 -1.22 -0.69 0.00 0.00 174.62 172.25 1wgq n TYR 39 N -1.99 -1.06 0.00 4.92 4.01 0.99 -1.26 117.16 122.77 1wgq n TYR 39 Ca 0.04 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.18 1wgq n TYR 39 Cb 0.54 0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.78 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 -2.33 2.49 -3.96 -0.72 0.00 -1.26 -3.25 120.51 111.48 1wgq n ALA 40 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 1wgq n ALA 40 Cb 0.17 0.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 1wgq n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgq n ALA 41 N -2.40 0.41 0.02 0.00 0.00 -1.26 -4.34 120.51 112.93 1wgq n ALA 41 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 53.44 52.02 1wgq n ALA 41 Cb 0.27 0.59 -0.09 0.00 0.00 0.00 0.00 19.45 20.23 1wgq n ALA 41 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wgq h SER 42 N 0.49 -0.10 -2.28 0.00 0.87 -1.99 -3.36 113.55 107.18 1wgq h SER 42 Ca -0.22 -0.47 -0.63 0.00 -1.23 0.00 0.00 61.79 59.25 1wgq h SER 42 Cb 0.74 0.03 -0.40 0.00 -0.44 0.00 0.00 62.40 62.33 1wgq h SER 42 CO 0.35 0.46 -0.36 -0.62 -0.53 0.00 0.00 176.83 176.13 1wgq n GLU 43 N -4.87 3.62 -2.01 2.24 1.02 -1.26 -5.06 120.64 114.31 1wgq n GLU 43 Ca -0.08 -4.84 -0.38 0.00 -0.02 0.00 0.00 57.16 51.84 1wgq n GLU 43 Cb 0.28 -2.28 0.02 0.00 -0.02 0.00 0.00 31.44 29.44 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 -3.12 5.70 0.45 1.62 -1.08 -1.26 -4.88 116.67 114.10 1wgq s ASP 44 Ca 0.47 2.55 0.17 0.00 -0.52 0.00 0.00 52.55 55.22 1wgq s ASP 44 Cb 0.26 -2.62 1.11 0.00 -1.46 0.00 0.00 42.92 40.21 1wgq s ASP 44 CO -0.14 -1.26 1.95 -0.37 0.52 0.00 0.00 175.17 175.87 1wgq h VAL 45 N 1.65 0.81 -3.29 1.11 -1.51 -1.97 -3.44 116.25 109.60 1wgq h VAL 45 Ca -0.50 -0.12 -0.10 0.00 -1.23 0.00 0.00 66.70 64.75 1wgq h VAL 45 Cb 1.27 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1wgq h VAL 45 CO 0.59 0.06 0.15 0.00 -1.23 0.00 0.00 177.57 177.14 1wgq n ALA 46 N -2.54 -1.34 -2.61 5.19 0.00 -1.26 -5.16 120.51 112.78 1wgq n ALA 46 Ca 0.13 -1.37 -0.34 0.00 0.00 0.00 0.00 53.44 51.85 1wgq n ALA 46 Cb 0.51 1.09 -0.05 0.00 0.00 0.00 0.00 19.45 21.00 1wgq n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgq s ALA 47 N -2.28 3.75 0.11 0.00 0.00 -1.26 -4.78 121.76 117.30 1wgq s ALA 47 Ca 0.20 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.60 1wgq s ALA 47 Cb -0.04 -2.23 -0.10 0.00 0.00 0.00 0.00 23.12 20.76 1wgq s ALA 47 CO 0.14 0.58 1.39 -0.07 0.00 0.00 0.00 175.76 177.81 1wgq h LEU 48 N 3.70 0.85 -8.17 0.00 3.38 -1.48 -3.47 115.31 110.13 1wgq h LEU 48 Ca -0.49 -0.52 -0.12 0.00 0.09 0.00 0.00 57.88 56.84 1wgq h LEU 48 Cb 1.19 -0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 1wgq h LEU 48 CO 0.67 1.21 -0.38 -1.61 0.09 0.00 0.00 178.44 178.42 1wgq s GLU 49 N -4.17 1.14 -0.03 1.13 0.41 -1.25 -4.99 118.70 110.94 1wgq s GLU 49 Ca -0.12 -1.24 -0.02 0.00 -0.41 0.00 0.00 54.97 53.19 1wgq s GLU 49 Cb 0.09 0.36 0.02 0.00 -1.78 0.00 0.00 34.13 32.82 1wgq s GLU 49 CO 0.86 -0.41 0.07 -1.54 -0.49 0.00 0.00 175.26 173.76 1wgq s SER 50 N -2.99 -0.04 -0.21 -0.19 1.04 -1.26 0.00 113.70 110.05 1wgq s SER 50 Ca 0.19 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.63 1wgq s SER 50 Cb 0.04 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.30 1wgq s SER 50 CO 0.01 -0.09 0.53 -1.58 0.98 0.00 0.00 173.24 173.10 1wgq s GLN 51 N 0.67 0.56 0.61 4.02 2.00 -1.15 -5.02 119.66 121.35 1wgq s GLN 51 Ca -0.05 0.91 -0.14 0.00 -2.00 0.00 0.00 55.36 54.08 1wgq s GLN 51 Cb -0.07 0.12 -0.03 0.00 0.80 0.00 0.00 33.01 33.83 1wgq s GLN 51 CO -0.03 -0.13 1.05 -1.25 -0.50 0.00 0.00 175.29 174.43 1wgq s PRO 52 N 1.16 3.28 -0.17 1.67 0.04 -1.26 0.37 135.00 140.09 1wgq s PRO 52 Ca -0.07 1.11 0.17 0.00 0.04 0.00 0.00 61.00 62.25 1wgq s PRO 52 Cb -0.06 -2.03 0.77 0.00 0.04 0.00 0.00 34.50 33.22 1wgq s PRO 52 CO -0.11 -0.83 1.69 1.28 0.04 0.00 0.00 177.00 179.07 1wgq n LEU 53 N -2.28 5.20 -4.68 -3.56 4.77 -0.70 -4.76 117.00 111.00 1wgq n LEU 53 Ca 0.08 -2.66 -0.42 0.00 -0.03 0.00 0.00 56.01 52.98 1wgq n LEU 53 Cb 0.53 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1wgq n LEU 53 CO 0.49 0.74 0.94 -0.22 -1.33 0.00 0.00 177.39 178.01 1wgq s LEU 54 N -2.24 4.24 0.00 2.23 0.20 -1.26 -3.01 118.68 118.85 1wgq s LEU 54 Ca 0.53 1.70 0.00 0.00 0.69 0.00 0.00 54.13 57.05 1wgq s LEU 54 Cb 0.37 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.58 1wgq s LEU 54 CO 0.21 -0.59 0.00 0.61 -0.29 0.00 0.00 176.35 176.29 1wgq n GLY 55 N 3.34 2.69 3.41 7.98 0.00 -1.26 -5.01 105.19 116.34 1wgq n GLY 55 Ca 0.11 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1wgq n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wgq s PHE 56 N -1.35 0.02 0.25 1.61 0.40 -1.16 -3.86 117.98 113.88 1wgq s PHE 56 Ca 0.00 0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 56.88 1wgq s PHE 56 Cb 0.00 -3.07 -0.01 0.00 0.51 0.00 0.00 43.02 40.45 1wgq s PHE 56 CO 0.00 -4.51 0.44 0.99 0.70 0.00 0.00 175.22 172.84 1wgq s THR 57 N -2.50 0.00 0.03 0.64 2.01 0.48 -4.71 115.64 111.59 1wgq s THR 57 Ca 0.69 -1.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1wgq s THR 57 Cb -0.14 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1wgq s THR 57 CO 0.58 0.00 0.08 -0.69 -0.69 0.00 0.00 174.62 173.90 1wgq s VAL 58 N -3.90 0.12 -0.26 3.82 1.01 -1.26 0.39 120.40 120.33 1wgq s VAL 58 Ca 0.25 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1wgq s VAL 58 Cb 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 36.38 35.71 1wgq s VAL 58 CO 0.11 -0.56 0.75 0.28 0.00 0.00 0.00 175.10 175.67 1wgq s THR 59 N -2.28 0.00 0.30 3.92 -1.32 -0.99 -4.89 115.64 110.38 1wgq s THR 59 Ca -0.08 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.11 1wgq s THR 59 Cb -0.03 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.86 1wgq s THR 59 CO -0.03 0.00 1.14 -0.22 -2.21 0.00 0.00 174.62 173.30 1wgq s LEU 60 N 0.28 4.49 -0.01 9.08 1.98 -1.26 -0.87 118.68 132.37 1wgq s LEU 60 Ca -0.00 2.34 0.06 0.00 -2.89 0.00 0.00 54.13 53.64 1wgq s LEU 60 Cb -0.05 -3.68 -0.02 0.00 0.66 0.00 0.00 46.19 43.11 1wgq s LEU 60 CO 0.01 -0.26 -0.20 0.54 -1.89 0.00 0.00 176.35 174.55 1wgq s VAL 61 N -1.19 1.58 -1.46 1.68 0.11 -0.57 -4.86 120.40 115.68 1wgq s VAL 61 Ca 0.46 -0.87 0.20 0.00 -2.93 0.00 0.00 61.98 58.84 1wgq s VAL 61 Cb -0.33 -1.31 0.65 0.00 -1.53 0.00 0.00 36.38 33.85 1wgq s VAL 61 CO 0.42 0.44 1.55 2.29 -3.33 0.00 0.00 175.10 176.47 1wgq n LYS 62 N 2.56 3.19 -1.35 1.54 2.85 -1.26 -4.29 118.16 121.40 1wgq n LYS 62 Ca -0.15 -2.71 -0.52 0.00 -1.05 0.00 0.00 58.31 53.88 1wgq n LYS 62 Cb 0.53 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 33.16 1wgq n LYS 62 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1wgq n ASP 63 N 1.26 -0.21 0.00 -5.58 5.75 -1.26 0.41 116.55 116.92 1wgq n ASP 63 Ca 0.24 1.05 0.00 0.00 -0.01 0.00 0.00 54.79 56.07 1wgq n ASP 63 Cb 0.73 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1wgq n ASP 63 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1wgq n GLU 64 N 1.28 0.00 0.00 0.11 2.13 -1.26 -3.27 120.64 119.63 1wgq n GLU 64 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1wgq n GLU 64 Cb 0.10 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.81 1wgq n GLU 64 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wgq n ASN 65 N 3.24 0.00 -3.93 4.31 3.02 0.16 -5.12 115.26 116.94 1wgq n ASN 65 Ca 0.00 0.00 -0.51 0.00 -0.03 0.00 0.00 54.58 54.04 1wgq n ASN 65 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1wgq n ASN 65 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wgq n SER 66 N 0.00 -0.02 -4.47 6.41 7.64 -1.20 -4.86 113.62 117.12 1wgq n SER 66 Ca 0.00 1.01 -0.43 0.00 1.01 0.00 0.00 58.87 60.46 1wgq n SER 66 Cb 0.00 -0.80 -0.09 0.00 -1.01 0.00 0.00 64.21 62.31 1wgq n SER 66 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wgq s GLU 67 N -0.01 3.05 -1.65 1.43 0.41 -1.26 -4.27 118.70 116.41 1wgq s GLU 67 Ca 0.79 -0.87 -0.21 0.00 -0.41 0.00 0.00 54.97 54.27 1wgq s GLU 67 Cb -1.11 -3.98 0.21 0.00 -1.78 0.00 0.00 34.13 27.47 1wgq s GLU 67 CO 0.50 -0.84 0.52 0.43 -0.49 0.00 0.00 175.26 175.38 1wgq n SER 68 N 5.45 -1.69 -0.00 -0.19 7.64 -1.26 -4.70 113.62 118.87 1wgq n SER 68 Ca -0.09 -1.05 0.04 0.00 1.01 0.00 0.00 58.87 58.78 1wgq n SER 68 Cb 0.47 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.13 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 -3.78 2.66 -3.88 1.43 4.81 -1.26 -4.31 118.16 113.82 1wgq n LYS 69 Ca 0.10 -0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.40 1wgq n LYS 69 Cb 0.44 -1.01 -0.11 0.00 0.02 0.00 0.00 35.03 34.36 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 -2.10 0.06 0.35 3.15 0.11 -1.26 -0.30 120.40 120.40 1wgq s VAL 70 Ca 0.01 -0.47 0.05 0.00 -2.93 0.00 0.00 61.98 58.64 1wgq s VAL 70 Cb 0.06 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 1wgq s VAL 70 CO 0.34 -0.26 0.22 0.72 -3.33 0.00 0.00 175.10 172.79 1wgq s PHE 71 N -0.83 1.72 0.12 1.54 -0.71 0.20 -1.51 117.98 118.50 1wgq s PHE 71 Ca -0.09 -1.52 0.06 0.00 -1.04 0.00 0.00 56.93 54.35 1wgq s PHE 71 Cb -0.05 -0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 40.87 1wgq s PHE 71 CO 0.00 -0.66 -0.16 -0.65 -1.34 0.00 0.00 175.22 172.42 1wgq s GLN 72 N -3.59 1.04 -0.49 1.99 -0.21 -0.05 -0.17 119.66 118.17 1wgq s GLN 72 Ca 0.35 -1.21 -0.13 0.00 0.02 0.00 0.00 55.36 54.39 1wgq s GLN 72 Cb 0.03 -1.03 0.11 0.00 1.00 0.00 0.00 33.01 33.12 1wgq s GLN 72 CO 0.22 0.21 0.41 -1.17 -2.12 0.00 0.00 175.29 172.84 1wgq s LEU 73 N -2.29 5.82 0.33 2.90 2.96 0.35 -2.35 118.68 126.41 1wgq s LEU 73 Ca 0.08 -1.68 -0.18 0.00 -0.22 0.00 0.00 54.13 52.13 1wgq s LEU 73 Cb -0.07 -2.13 -0.09 0.00 0.50 0.00 0.00 46.19 44.40 1wgq s LEU 73 CO 0.04 -0.73 0.79 -0.76 -1.32 0.00 0.00 176.35 174.36 1wgq s LEU 74 N 1.53 4.09 -0.33 -0.68 1.43 0.16 0.19 118.68 125.08 1wgq s LEU 74 Ca 0.04 1.42 -0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1wgq s LEU 74 Cb -0.27 -4.10 0.11 0.00 0.03 0.00 0.00 46.19 41.96 1wgq s LEU 74 CO 0.03 -0.20 0.16 -2.28 0.23 0.00 0.00 176.35 174.29 1wgq s HIS 75 N -1.94 0.89 0.00 0.29 2.46 0.52 0.18 115.29 117.69 1wgq s HIS 75 Ca 0.54 -1.42 0.00 0.00 0.47 0.00 0.00 55.06 54.65 1wgq s HIS 75 Cb -0.11 -1.18 0.00 0.00 -0.13 0.00 0.00 32.58 31.16 1wgq s HIS 75 CO 0.17 -0.84 0.00 1.63 -2.47 0.00 0.00 174.74 173.24 1wgq n LYS 76 N 4.67 0.00 0.00 2.88 5.02 -1.25 -3.00 118.16 126.47 1wgq n LYS 76 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1wgq n LYS 76 Cb 0.40 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 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 -2.05 1.62 3.86 0.72 0.00 -1.26 -5.11 105.19 102.98 1wgq n GLY 77 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1wgq n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wgq s MET 78 N 0.00 3.72 0.05 1.61 -1.94 -1.16 -4.98 119.30 116.59 1wgq s MET 78 Ca 0.00 0.14 -0.31 0.00 -1.71 0.00 0.00 55.69 53.81 1wgq s MET 78 Cb 0.00 -3.10 -0.07 0.00 2.01 0.00 0.00 34.83 33.67 1wgq s MET 78 CO 0.00 0.64 1.53 0.08 -0.01 0.00 0.00 175.02 177.26 1wgq s VAL 79 N -1.25 3.31 -0.19 -6.03 1.01 -1.26 0.19 120.40 116.19 1wgq s VAL 79 Ca 0.27 0.76 0.08 0.00 0.00 0.00 0.00 61.98 63.10 1wgq s VAL 79 Cb -0.14 -3.49 -0.22 0.00 0.00 0.00 0.00 36.38 32.53 1wgq s VAL 79 CO 0.15 0.00 0.08 0.33 0.00 0.00 0.00 175.10 175.66 1wgq n PHE 80 N 5.35 0.29 -3.56 5.22 7.35 0.51 -4.84 117.46 127.79 1wgq n PHE 80 Ca 0.14 0.08 -0.07 0.00 -0.76 0.00 0.00 57.45 56.84 1wgq n PHE 80 Cb 0.42 -1.05 -0.03 0.00 0.35 0.00 0.00 39.48 39.17 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 -2.52 -0.27 0.15 -5.13 2.02 -1.07 -4.96 117.35 105.56 1wgq s TYR 81 Ca -0.20 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.81 1wgq s TYR 81 Cb 0.07 0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 42.10 1wgq s TYR 81 CO 0.74 -0.36 0.26 0.08 -1.57 0.00 0.00 175.55 174.71 1wgq s VAL 82 N -2.24 5.21 -0.17 0.71 1.01 0.18 0.13 120.40 125.23 1wgq s VAL 82 Ca 0.05 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1wgq s VAL 82 Cb -0.01 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.76 1wgq s VAL 82 CO -0.05 -0.10 0.38 -0.36 0.00 0.00 0.00 175.10 174.98 1wgq s PHE 83 N -1.75 -0.61 0.08 5.22 0.08 0.75 -1.97 117.98 119.79 1wgq s PHE 83 Ca 0.34 1.27 0.06 0.00 0.12 0.00 0.00 56.93 58.72 1wgq s PHE 83 Cb -0.11 0.22 -0.04 0.00 -0.57 0.00 0.00 43.02 42.53 1wgq s PHE 83 CO 0.28 -0.37 -0.10 0.21 -0.10 0.00 0.00 175.22 175.14 1wgq s LYS 84 N 1.80 2.19 0.05 0.44 2.20 -1.17 0.59 119.74 125.85 1wgq s LYS 84 Ca -0.06 -0.97 0.08 0.00 -0.36 0.00 0.00 55.97 54.66 1wgq s LYS 84 Cb -0.10 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.86 1wgq s LYS 84 CO -0.12 0.53 -0.23 0.00 -0.36 0.00 0.00 175.35 175.17 1wgq s ALA 85 N -1.15 2.42 0.12 3.13 0.00 0.59 -3.68 121.76 123.17 1wgq s ALA 85 Ca 0.20 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 1wgq s ALA 85 Cb -0.11 -0.58 -0.10 0.00 0.00 0.00 0.00 23.12 22.33 1wgq s ALA 85 CO 0.12 0.55 1.48 0.22 0.00 0.00 0.00 175.76 178.14 1wgq h ASP 86 N 4.58 -1.66 -1.63 0.00 3.58 -1.86 -3.43 116.42 116.01 1wgq h ASP 86 Ca -0.47 0.22 -0.54 0.00 0.42 0.00 0.00 57.03 56.65 1wgq h ASP 86 Cb 1.15 0.68 -0.07 0.00 1.72 0.00 0.00 39.33 42.81 1wgq h ASP 86 CO 0.45 -0.36 -0.47 -1.81 -2.88 0.00 0.00 179.24 174.17 1wgq s ASP 87 N -4.79 4.63 -0.04 2.28 1.11 -1.26 -5.05 116.67 113.55 1wgq s ASP 87 Ca -0.13 -0.94 -0.25 0.00 0.18 0.00 0.00 52.55 51.41 1wgq s ASP 87 Cb 0.07 -0.55 -0.21 0.00 1.07 0.00 0.00 42.92 43.31 1wgq s ASP 87 CO 0.54 -0.53 1.15 0.00 1.18 0.00 0.00 175.17 177.52 1wgq h ALA 88 N 1.35 0.03 -1.07 5.23 0.00 -1.83 -2.82 119.26 120.15 1wgq h ALA 88 Ca -0.43 -0.34 0.29 0.00 0.00 0.00 0.00 54.91 54.43 1wgq h ALA 88 Cb 1.26 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1wgq h ALA 88 CO 0.66 -0.11 0.71 0.45 0.00 0.00 0.00 179.25 180.96 1wgq h HIS 89 N -0.51 0.53 -0.10 0.00 3.86 -1.94 0.34 115.15 117.33 1wgq h HIS 89 Ca -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1wgq h HIS 89 Cb 0.69 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1wgq h HIS 89 CO 0.14 0.03 -0.03 0.77 0.86 0.00 0.00 177.93 179.70 1wgq h SER 90 N 0.30 0.20 -0.32 2.45 0.02 -1.89 -3.22 113.55 111.09 1wgq h SER 90 Ca 0.60 -0.38 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 1wgq h SER 90 Cb 1.69 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 64.10 1wgq h SER 90 CO -0.25 0.53 -0.51 0.74 -1.14 0.00 0.00 176.83 176.20 1wgq h THR 91 N -0.14 0.04 -0.99 -2.27 2.02 -0.08 0.13 112.91 111.61 1wgq h THR 91 Ca 0.02 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.52 1wgq h THR 91 Cb 0.45 0.04 -0.18 0.00 -1.74 0.00 0.00 68.15 66.72 1wgq h THR 91 CO 0.01 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.10 1wgq n GLN 92 N -5.41 -0.07 0.19 6.66 1.13 -0.87 0.57 117.38 119.58 1wgq n GLN 92 Ca -0.03 1.44 -0.08 0.00 -1.94 0.00 0.00 57.00 56.39 1wgq n GLN 92 Cb 0.36 -2.39 -0.04 0.00 0.11 0.00 0.00 30.24 28.28 1wgq n GLN 92 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wgq h ARG 93 N 0.00 -0.48 -0.82 -1.09 3.08 -0.78 0.16 114.38 114.45 1wgq h ARG 93 Ca 0.68 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.96 1wgq h ARG 93 Cb 1.57 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 31.60 1wgq h ARG 93 CO -0.87 -0.32 0.16 -1.49 -1.07 0.00 0.00 179.97 176.37 1wgq h TRP 94 N -0.50 0.22 0.00 3.04 4.06 -0.31 0.85 115.95 123.31 1wgq h TRP 94 Ca -0.05 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1wgq h TRP 94 Cb 0.39 0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1wgq h TRP 94 CO 0.10 -0.19 0.00 -0.89 -3.56 0.00 0.00 178.44 173.89 1wgq n ILE 95 N -5.25 0.00 -0.29 1.49 5.41 0.19 0.96 119.36 121.88 1wgq n ILE 95 Ca 0.18 1.43 0.11 0.00 1.00 0.00 0.00 62.75 65.47 1wgq n ILE 95 Cb 0.57 -2.23 0.27 0.00 -0.71 0.00 0.00 39.64 37.54 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 0.12 -0.83 4.38 3.58 0.29 1.60 116.42 125.56 1wgq h ASP 96 Ca 0.00 0.17 0.09 0.00 0.42 0.00 0.00 57.03 57.71 1wgq h ASP 96 Cb 0.00 0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 1wgq h ASP 96 CO 0.00 -0.08 0.54 0.00 -2.88 0.00 0.00 179.24 176.82 1wgq h ALA 97 N 1.72 1.68 0.00 -0.78 0.00 0.14 1.08 119.26 123.10 1wgq h ALA 97 Ca 0.53 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.19 1wgq h ALA 97 Cb 1.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1wgq h ALA 97 CO -0.58 0.16 -1.23 0.74 0.00 0.00 0.00 179.25 178.34 1wgq h PHE 98 N 0.82 0.01 0.26 0.00 0.04 0.85 -3.13 116.94 115.79 1wgq h PHE 98 Ca 0.37 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.12 1wgq h PHE 98 Cb 0.37 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1wgq h PHE 98 CO -0.00 1.01 -0.12 1.96 -0.60 0.00 0.00 178.31 180.55 1wgq h GLN 99 N 0.00 -0.33 -0.95 1.51 4.20 0.32 -2.61 115.11 117.25 1wgq h GLN 99 Ca -0.10 0.02 0.23 0.00 0.06 0.00 0.00 58.65 58.86 1wgq h GLN 99 Cb 1.85 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 29.64 1wgq h GLN 99 CO 0.12 -0.07 0.63 0.93 -0.67 0.00 0.00 178.83 179.76 1wgq h GLU 100 N -1.02 0.36 0.75 1.46 5.08 0.98 0.49 114.58 122.67 1wgq h GLU 100 Ca -0.04 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1wgq h GLU 100 Cb 0.41 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1wgq h GLU 100 CO 0.06 0.24 -0.36 0.78 -1.00 0.00 0.00 179.01 178.72 1wgq h GLY 101 N 0.37 -1.05 0.36 -3.84 0.00 -1.57 -3.12 103.07 94.22 1wgq h GLY 101 Ca 0.51 0.39 0.12 0.00 0.00 0.00 0.00 47.33 48.35 1wgq h GLY 101 CO -0.19 -0.38 0.46 -0.91 0.00 0.00 0.00 176.54 175.51 1wgq h THR 102 N -1.21 0.81 -1.70 4.70 1.35 -0.89 -3.42 112.91 112.55 1wgq h THR 102 Ca -0.10 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1wgq h THR 102 Cb 0.79 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1wgq h THR 102 CO 0.17 0.13 0.00 1.33 -0.25 0.00 0.00 175.52 176.90 1wgq n VAL 103 N -4.81 0.00 -3.24 6.82 0.24 0.07 -4.38 118.33 113.03 1wgq n VAL 103 Ca 0.16 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.42 1wgq n VAL 103 Cb 0.36 -1.79 -0.03 0.00 -1.47 0.00 0.00 33.84 30.91 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 -0.47 0.50 -1.34 0.01 -1.25 -4.89 113.70 105.25 1wgq s SER 104 Ca 0.00 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1wgq s SER 104 Cb 0.00 1.48 0.00 0.00 0.21 0.00 0.00 66.02 67.71 1wgq s SER 104 CO 0.00 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1wgq n GLY 105 N 5.15 -0.82 0.19 3.44 0.00 -1.26 -4.26 105.19 107.63 1wgq n GLY 105 Ca 0.04 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 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 0.66 0.00 1.61 0.13 -2.00 -3.44 132.00 128.95 1wgq h PRO 106 Ca 0.01 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1wgq h PRO 106 Cb 0.30 0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1wgq h PRO 106 CO 0.00 1.24 -0.15 -1.13 -0.23 0.00 0.00 178.00 177.73 1wgq n SER 107 N -3.98 0.03 -3.15 1.44 3.41 -1.26 -5.06 113.62 105.04 1wgq n SER 107 Ca -0.10 0.14 0.03 0.00 -0.26 0.00 0.00 58.87 58.68 1wgq n SER 107 Cb 0.78 0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1wgq n SER 107 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wgq s SER 108 N -5.07 -1.48 0.00 4.04 0.15 -1.26 -5.03 113.70 105.05 1wgq s SER 108 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1wgq s SER 108 Cb 0.00 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.22 1wgq s SER 108 CO 0.00 -0.24 0.39 0.61 1.20 0.00 0.00 173.24 175.20