#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 0.00 0.03 1.61 2.88 -1.26 -4.67 113.62 112.21 1wgq n SER 2 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1wgq n SER 2 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wgq n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgq n SER 3 N 0.00 1.01 0.00 -3.46 2.88 -1.26 -5.10 113.62 107.69 1wgq n SER 3 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1wgq n SER 3 Cb 0.00 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 3.25 0.58 3.15 0.46 0.00 -1.26 -5.15 105.19 106.22 1wgq n GLY 4 Ca -0.02 0.64 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 3.00 -0.02 1.61 0.01 -1.26 -5.11 113.70 111.93 1wgq s SER 5 Ca 0.00 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.69 1wgq s SER 5 Cb 0.00 -1.39 0.01 0.00 0.21 0.00 0.00 66.02 64.86 1wgq s SER 5 CO 0.00 0.07 -0.02 -0.44 0.41 0.00 0.00 173.24 173.26 1wgq s SER 6 N 0.81 0.51 0.00 2.44 0.01 -1.26 -4.97 113.70 111.24 1wgq s SER 6 Ca -0.08 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1wgq s SER 6 Cb -0.16 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1wgq s SER 6 CO -0.01 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1wgq n GLY 7 N 3.65 0.92 3.89 3.44 0.00 -1.26 -4.92 105.19 110.91 1wgq n GLY 7 Ca -0.21 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.00 6.48 0.20 1.61 0.01 -1.26 -5.00 113.70 111.74 1wgq s SER 8 Ca 0.00 0.53 -0.13 0.00 1.31 0.00 0.00 55.95 57.66 1wgq s SER 8 Cb 0.00 -2.08 0.22 0.00 0.21 0.00 0.00 66.02 64.37 1wgq s SER 8 CO 0.00 0.25 1.65 0.74 0.41 0.00 0.00 173.24 176.29 1wgq h THR 9 N 2.99 0.49 -2.48 1.44 2.02 -1.91 -3.44 112.91 112.01 1wgq h THR 9 Ca -0.50 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 1wgq h THR 9 Cb 1.19 0.43 -0.17 0.00 -1.74 0.00 0.00 68.15 67.87 1wgq h THR 9 CO 0.67 0.01 0.13 -0.04 0.37 0.00 0.00 175.52 176.66 1wgq s MET 10 N -6.19 1.08 -0.30 6.66 1.00 -1.26 -4.94 119.30 115.35 1wgq s MET 10 Ca -0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 55.69 55.33 1wgq s MET 10 Cb 0.18 0.50 0.17 0.00 0.00 0.00 0.00 34.83 35.68 1wgq s MET 10 CO 0.73 -0.39 1.07 -1.54 0.00 0.00 0.00 175.02 174.90 1wgq s SER 11 N -1.76 -0.39 0.00 3.03 1.04 -1.26 -2.11 113.70 112.25 1wgq s SER 11 Ca -0.07 0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1wgq s SER 11 Cb -0.01 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.42 1wgq s SER 11 CO 0.01 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1wgq n GLY 12 N 4.12 1.92 3.70 7.32 0.00 -1.21 -5.02 105.19 116.03 1wgq n GLY 12 Ca -0.14 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1wgq n GLY 12 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wgq n TYR 13 N -0.37 2.67 -4.00 1.61 4.01 -1.26 -4.10 117.16 115.73 1wgq n TYR 13 Ca 0.00 -0.02 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 1wgq n TYR 13 Cb 0.00 -2.69 -0.14 0.00 -0.31 0.00 0.00 39.34 36.20 1wgq n TYR 13 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wgq s LEU 14 N 1.81 2.00 -0.36 7.72 1.43 -0.86 -4.76 118.68 125.67 1wgq s LEU 14 Ca 0.78 -0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 53.58 1wgq s LEU 14 Cb -0.51 -0.12 0.02 0.00 0.03 0.00 0.00 46.19 45.61 1wgq s LEU 14 CO 0.35 0.03 0.96 -0.31 0.23 0.00 0.00 176.35 177.61 1wgq s TYR 15 N -0.05 3.09 -0.03 0.29 2.02 -1.14 -1.37 117.35 120.16 1wgq s TYR 15 Ca 0.01 0.87 -0.03 0.00 -0.37 0.00 0.00 57.07 57.55 1wgq s TYR 15 Cb -0.01 -3.66 -0.04 0.00 -0.40 0.00 0.00 41.96 37.85 1wgq s TYR 15 CO -0.00 -0.81 0.12 0.50 -1.57 0.00 0.00 175.55 173.79 1wgq s ARG 16 N 3.52 3.26 0.22 -0.62 3.52 0.46 -0.14 118.95 129.18 1wgq s ARG 16 Ca 0.40 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.63 1wgq s ARG 16 Cb -0.12 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1wgq s ARG 16 CO 0.18 0.68 0.18 0.45 -0.81 0.00 0.00 175.30 175.99 1wgq s SER 17 N -1.63 0.35 -0.14 -2.12 0.15 -1.07 -1.95 113.70 107.28 1wgq s SER 17 Ca 0.22 -1.40 0.17 0.00 0.70 0.00 0.00 55.95 55.65 1wgq s SER 17 Cb -0.12 0.43 0.75 0.00 -1.71 0.00 0.00 66.02 65.36 1wgq s SER 17 CO 0.13 -0.90 1.66 0.29 1.20 0.00 0.00 173.24 175.62 1wgq n LYS 18 N -0.33 4.01 0.00 5.44 4.76 -1.26 -0.25 118.16 130.52 1wgq n LYS 18 Ca 0.02 -2.96 0.00 0.00 -2.87 0.00 0.00 58.31 52.50 1wgq n LYS 18 Cb 0.65 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 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 0.99 0.81 3.85 0.72 0.00 -1.26 -4.92 105.19 105.39 1wgq n GLY 19 Ca 0.26 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 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 6.71 0.00 1.61 0.01 -1.26 -3.59 113.70 113.18 1wgq s SER 20 Ca 0.00 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.51 1wgq s SER 20 Cb 0.00 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1wgq s SER 20 CO 0.00 -0.25 0.00 0.29 0.41 0.00 0.00 173.24 173.69 1wgq n LYS 21 N -0.59 0.00 -3.68 12.44 5.02 -1.26 -5.00 118.16 125.08 1wgq n LYS 21 Ca 0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.06 1wgq n LYS 21 Cb 0.53 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 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 -0.01 3.50 0.53 1.97 -0.14 -1.24 -5.08 119.74 119.27 1wgq s LYS 22 Ca 0.00 -0.40 -0.18 0.00 -1.36 0.00 0.00 55.97 54.03 1wgq s LYS 22 Cb 0.00 -2.82 -0.06 0.00 -1.68 0.00 0.00 37.83 33.27 1wgq s LYS 22 CO 0.00 0.37 1.04 -1.25 -0.76 0.00 0.00 175.35 174.75 1wgq s PRO 23 N -3.57 3.61 0.07 -1.68 0.04 -1.26 -4.93 135.00 127.28 1wgq s PRO 23 Ca 0.38 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1wgq s PRO 23 Cb -0.10 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 1wgq s PRO 23 CO 0.30 -0.58 0.50 -1.58 0.04 0.00 0.00 177.00 175.68 1wgq s TRP 24 N -2.21 3.71 -0.19 0.56 0.52 -1.26 -4.55 118.94 115.51 1wgq s TRP 24 Ca 0.65 1.08 -0.05 0.00 0.02 0.00 0.00 56.10 57.81 1wgq s TRP 24 Cb -0.16 -2.36 0.07 0.00 -1.15 0.00 0.00 33.47 29.86 1wgq s TRP 24 CO 0.27 0.56 0.09 0.15 0.02 0.00 0.00 176.95 178.04 1wgq s LYS 25 N -1.39 0.15 0.37 4.98 1.02 -0.82 -4.92 119.74 119.12 1wgq s LYS 25 Ca 0.30 -0.19 -0.26 0.00 0.02 0.00 0.00 55.97 55.84 1wgq s LYS 25 Cb -0.17 -1.77 -0.09 0.00 -0.52 0.00 0.00 37.83 35.28 1wgq s LYS 25 CO 0.17 -0.72 1.13 -3.38 -0.92 0.00 0.00 175.35 171.63 1wgq s HIS 26 N 2.10 3.23 0.21 3.18 -3.43 -1.26 -0.40 115.29 118.92 1wgq s HIS 26 Ca 0.03 1.61 -0.11 0.00 -0.80 0.00 0.00 55.06 55.78 1wgq s HIS 26 Cb -0.16 -3.31 -0.01 0.00 -1.43 0.00 0.00 32.58 27.68 1wgq s HIS 26 CO -0.13 -0.99 0.40 -0.51 -2.00 0.00 0.00 174.74 171.51 1wgq s LEU 27 N -2.29 0.54 -0.21 5.38 1.43 -0.47 -4.91 118.68 118.16 1wgq s LEU 27 Ca 0.54 -0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 1wgq s LEU 27 Cb -0.29 1.53 -0.04 0.00 0.03 0.00 0.00 46.19 47.42 1wgq s LEU 27 CO 0.37 -1.04 0.30 0.86 0.23 0.00 0.00 176.35 177.07 1wgq s TRP 28 N -4.00 3.37 0.04 0.29 -0.11 -1.24 -2.02 118.94 115.27 1wgq s TRP 28 Ca 0.21 0.48 0.07 0.00 1.22 0.00 0.00 56.10 58.08 1wgq s TRP 28 Cb 0.01 -2.40 -0.02 0.00 -1.50 0.00 0.00 33.47 29.55 1wgq s TRP 28 CO 0.06 0.07 -0.19 -0.06 -4.62 0.00 0.00 176.95 172.20 1wgq s PHE 29 N 1.06 1.64 -0.06 5.86 0.08 -1.26 -0.39 117.98 124.90 1wgq s PHE 29 Ca 0.15 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.80 1wgq s PHE 29 Cb -0.14 -0.97 0.04 0.00 -0.57 0.00 0.00 43.02 41.38 1wgq s PHE 29 CO 0.06 0.08 0.11 0.08 -0.10 0.00 0.00 175.22 175.45 1wgq s VAL 30 N -0.82 -0.18 -0.94 -0.44 1.01 -0.93 -3.31 120.40 114.80 1wgq s VAL 30 Ca 0.06 0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 1wgq s VAL 30 Cb -0.09 -0.22 0.13 0.00 0.00 0.00 0.00 36.38 36.20 1wgq s VAL 30 CO 0.02 0.15 1.14 -0.63 0.00 0.00 0.00 175.10 175.78 1wgq s ILE 31 N 2.09 4.70 -0.78 2.22 1.01 -0.90 -0.96 121.20 128.58 1wgq s ILE 31 Ca 0.02 -1.55 -0.26 0.00 0.00 0.00 0.00 60.65 58.86 1wgq s ILE 31 Cb -0.12 -4.79 0.01 0.00 0.01 0.00 0.00 42.46 37.57 1wgq s ILE 31 CO -0.05 -1.53 1.56 -0.75 0.00 0.00 0.00 174.94 174.18 1wgq s LYS 32 N 2.77 3.03 0.00 2.79 2.20 0.41 -3.47 119.74 127.47 1wgq s LYS 32 Ca 0.33 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1wgq s LYS 32 Cb -0.05 -4.58 0.00 0.00 -1.51 0.00 0.00 37.83 31.69 1wgq s LYS 32 CO -0.09 -2.49 0.00 0.09 -0.36 0.00 0.00 175.35 172.50 1wgq n ASN 33 N 10.83 0.00 -0.38 1.43 4.13 -1.26 -0.19 115.26 129.82 1wgq n ASN 33 Ca 0.19 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1wgq n ASN 33 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1wgq n ASN 33 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wgq n LYS 34 N 0.00 0.00 -4.97 3.52 5.02 -1.26 -4.91 118.16 115.55 1wgq n LYS 34 Ca 0.00 -0.71 -0.32 0.00 -2.02 0.00 0.00 58.31 55.25 1wgq n LYS 34 Cb 0.00 -0.40 -0.15 0.00 -0.02 0.00 0.00 35.03 34.46 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 0.00 2.71 -0.64 -0.18 1.01 0.74 -0.75 120.40 123.28 1wgq s VAL 35 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 1wgq s VAL 35 Cb 0.00 -2.07 0.16 0.00 0.00 0.00 0.00 36.38 34.47 1wgq s VAL 35 CO 0.00 0.56 0.60 -0.22 0.00 0.00 0.00 175.10 176.04 1wgq s LEU 36 N -0.08 6.38 0.14 3.92 1.98 0.15 0.16 118.68 131.32 1wgq s LEU 36 Ca -0.04 -2.10 -0.22 0.00 -2.89 0.00 0.00 54.13 48.89 1wgq s LEU 36 Cb -0.14 -2.21 -0.07 0.00 0.66 0.00 0.00 46.19 44.42 1wgq s LEU 36 CO 0.04 -0.76 0.68 -0.31 -1.89 0.00 0.00 176.35 174.11 1wgq s TYR 37 N 1.11 3.82 0.16 5.38 1.51 -0.14 -2.21 117.35 126.98 1wgq s TYR 37 Ca 0.08 1.44 -0.05 0.00 -1.01 0.00 0.00 57.07 57.53 1wgq s TYR 37 Cb -0.23 -2.63 -0.06 0.00 -0.11 0.00 0.00 41.96 38.94 1wgq s TYR 37 CO -0.01 0.51 0.40 0.99 -1.11 0.00 0.00 175.55 176.33 1wgq s THR 38 N -1.21 5.14 0.02 -0.71 2.01 0.28 -2.18 115.64 118.99 1wgq s THR 38 Ca 0.34 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.40 1wgq s THR 38 Cb -0.20 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1wgq s THR 38 CO 0.22 0.01 0.02 -1.22 -0.69 0.00 0.00 174.62 172.96 1wgq n TYR 39 N -0.00 -0.44 0.00 4.92 4.01 0.48 0.61 117.16 126.73 1wgq n TYR 39 Ca -0.02 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1wgq n TYR 39 Cb 0.52 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 -2.88 2.39 -2.64 -0.72 0.00 -1.26 -3.61 120.51 111.79 1wgq n ALA 40 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1wgq n ALA 40 Cb 0.03 0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.79 3.34 0.04 0.00 0.00 -1.26 -4.30 121.76 117.79 1wgq s ALA 41 Ca 0.00 -1.71 -0.32 0.00 0.00 0.00 0.00 51.96 49.93 1wgq s ALA 41 Cb 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 23.12 23.15 1wgq s ALA 41 CO 0.00 -0.12 1.41 1.03 0.00 0.00 0.00 175.76 178.08 1wgq h SER 42 N 1.69 -0.85 -1.96 0.00 0.87 -1.99 -3.21 113.55 108.10 1wgq h SER 42 Ca -0.43 0.01 -0.74 0.00 -1.23 0.00 0.00 61.79 59.40 1wgq h SER 42 Cb 1.26 0.22 -0.30 0.00 -0.44 0.00 0.00 62.40 63.14 1wgq h SER 42 CO 0.77 -0.53 0.70 -0.62 -0.53 0.00 0.00 176.83 176.62 1wgq n GLU 43 N -5.48 3.26 -0.51 2.24 1.02 -1.26 -5.03 120.64 114.88 1wgq n GLU 43 Ca -0.14 -3.89 -0.26 0.00 -0.02 0.00 0.00 57.16 52.85 1wgq n GLU 43 Cb 0.41 -2.29 0.19 0.00 -0.02 0.00 0.00 31.44 29.73 1wgq n GLU 43 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wgq n ASP 44 N -0.45 -2.95 -0.01 1.62 -0.08 -1.21 -4.93 116.55 108.53 1wgq n ASP 44 Ca 0.50 -0.39 0.09 0.00 -1.51 0.00 0.00 54.79 53.48 1wgq n ASP 44 Cb 0.31 -0.90 -0.14 0.00 2.34 0.00 0.00 41.12 42.73 1wgq n ASP 44 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wgq n VAL 45 N -4.74 0.00 -3.60 5.18 0.24 -1.26 -4.99 118.33 109.16 1wgq n VAL 45 Ca 0.05 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 1wgq n VAL 45 Cb 0.50 0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 33.17 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 -3.15 -1.93 0.33 2.33 0.00 -1.26 -5.15 121.76 112.93 1wgq s ALA 46 Ca -0.03 1.72 -0.28 0.00 0.00 0.00 0.00 51.96 53.37 1wgq s ALA 46 Cb 0.13 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.14 1wgq s ALA 46 CO 0.79 -0.28 1.18 0.00 0.00 0.00 0.00 175.76 177.44 1wgq s ALA 47 N -0.45 3.35 0.15 0.00 0.00 -1.26 -4.76 121.76 118.79 1wgq s ALA 47 Ca -0.00 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 52.88 1wgq s ALA 47 Cb -0.03 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1wgq s ALA 47 CO -0.01 -0.40 1.46 -0.07 0.00 0.00 0.00 175.76 176.74 1wgq h LEU 48 N 3.30 0.92 -8.13 0.00 3.38 -0.12 -3.47 115.31 111.19 1wgq h LEU 48 Ca -0.48 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.01 1wgq h LEU 48 Cb 1.22 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1wgq h LEU 48 CO 0.65 1.23 -0.03 -1.61 0.09 0.00 0.00 178.44 178.77 1wgq s GLU 49 N -4.24 1.57 -0.06 1.13 0.41 -1.20 -4.96 118.70 111.36 1wgq s GLU 49 Ca -0.10 -1.15 -0.02 0.00 -0.41 0.00 0.00 54.97 53.29 1wgq s GLU 49 Cb 0.11 0.50 0.04 0.00 -1.78 0.00 0.00 34.13 33.00 1wgq s GLU 49 CO 0.88 -0.67 0.11 -1.54 -0.49 0.00 0.00 175.26 173.55 1wgq s SER 50 N -2.98 0.18 -0.09 -0.19 1.04 -1.26 0.10 113.70 110.50 1wgq s SER 50 Ca 0.18 0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.80 1wgq s SER 50 Cb -0.02 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1wgq s SER 50 CO 0.07 -0.17 0.19 -1.10 0.98 0.00 0.00 173.24 173.21 1wgq s GLN 51 N 1.43 0.10 0.46 4.02 -1.52 -0.94 -5.00 119.66 118.20 1wgq s GLN 51 Ca -0.06 0.54 -0.22 0.00 -1.95 0.00 0.00 55.36 53.68 1wgq s GLN 51 Cb -0.12 -0.17 -0.09 0.00 -0.22 0.00 0.00 33.01 32.41 1wgq s GLN 51 CO -0.05 -0.24 1.04 -1.25 -0.25 0.00 0.00 175.29 174.55 1wgq s PRO 52 N 1.82 3.93 -0.30 2.91 0.04 -1.26 0.30 135.00 142.43 1wgq s PRO 52 Ca -0.03 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1wgq s PRO 52 Cb -0.12 -2.25 0.43 0.00 0.04 0.00 0.00 34.50 32.61 1wgq s PRO 52 CO -0.07 -0.33 1.61 1.28 0.04 0.00 0.00 177.00 179.53 1wgq n LEU 53 N -0.66 5.47 -4.58 -3.56 4.77 0.07 -4.79 117.00 113.72 1wgq n LEU 53 Ca 0.08 -2.89 -0.42 0.00 -0.03 0.00 0.00 56.01 52.75 1wgq n LEU 53 Cb 0.51 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1wgq n LEU 53 CO 0.41 0.87 0.57 -0.22 -1.33 0.00 0.00 177.39 177.69 1wgq s LEU 54 N -2.15 4.15 0.00 2.23 1.98 -1.26 -3.45 118.68 120.18 1wgq s LEU 54 Ca 0.37 0.29 0.00 0.00 -2.89 0.00 0.00 54.13 51.90 1wgq s LEU 54 Cb 0.31 -3.01 0.00 0.00 0.66 0.00 0.00 46.19 44.15 1wgq s LEU 54 CO 0.07 -0.75 0.00 0.61 -1.89 0.00 0.00 176.35 174.39 1wgq n GLY 55 N 4.60 2.79 3.05 7.98 0.00 -1.26 -5.03 105.19 117.32 1wgq n GLY 55 Ca 0.03 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1wgq n GLY 55 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgq n PHE 56 N 0.00 -2.84 -3.96 1.61 3.01 -1.25 -3.96 117.46 110.08 1wgq n PHE 56 Ca 0.00 -0.26 -0.09 0.00 1.01 0.00 0.00 57.45 58.11 1wgq n PHE 56 Cb 0.00 -1.36 -0.04 0.00 -0.01 0.00 0.00 39.48 38.07 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 -2.07 0.00 0.01 4.37 2.01 0.49 -4.77 115.64 115.67 1wgq s THR 57 Ca 0.43 -1.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.06 1wgq s THR 57 Cb -0.08 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.17 1wgq s THR 57 CO 0.37 0.00 0.13 -0.69 -0.69 0.00 0.00 174.62 173.74 1wgq s VAL 58 N -3.75 0.09 0.07 3.82 1.01 -1.26 0.19 120.40 120.57 1wgq s VAL 58 Ca 0.20 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1wgq s VAL 58 Cb -0.02 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.93 1wgq s VAL 58 CO 0.10 -0.41 0.56 0.28 0.00 0.00 0.00 175.10 175.63 1wgq s THR 59 N -1.55 0.02 0.18 3.92 -1.32 -1.11 -4.91 115.64 110.86 1wgq s THR 59 Ca -0.14 -0.15 -0.19 0.00 -1.21 0.00 0.00 61.69 60.01 1wgq s THR 59 Cb -0.07 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.84 1wgq s THR 59 CO 0.01 -0.08 0.66 -0.22 -2.21 0.00 0.00 174.62 172.78 1wgq s LEU 60 N -2.16 4.39 -0.01 9.08 1.98 -1.26 -1.49 118.68 129.22 1wgq s LEU 60 Ca -0.04 1.33 0.07 0.00 -2.89 0.00 0.00 54.13 52.61 1wgq s LEU 60 Cb -0.00 -3.37 -0.02 0.00 0.66 0.00 0.00 46.19 43.45 1wgq s LEU 60 CO -0.04 0.10 -0.22 0.54 -1.89 0.00 0.00 176.35 174.84 1wgq s VAL 61 N -1.41 1.76 0.22 1.68 0.11 -0.91 -4.91 120.40 116.94 1wgq s VAL 61 Ca 0.39 -0.99 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1wgq s VAL 61 Cb -0.17 -1.47 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1wgq s VAL 61 CO 0.21 0.47 1.58 0.07 -3.33 0.00 0.00 175.10 174.10 1wgq h LYS 62 N 5.49 0.58 -2.17 1.54 -0.00 -1.86 -3.41 116.57 116.73 1wgq h LYS 62 Ca -0.41 -0.30 0.25 0.00 -0.00 0.00 0.00 60.65 60.19 1wgq h LYS 62 Cb 1.14 0.01 -0.07 0.00 -0.00 0.00 0.00 32.23 33.30 1wgq h LYS 62 CO 0.47 0.89 -0.40 -3.47 -0.00 0.00 0.00 179.45 176.94 1wgq n ASP 63 N -4.03 -5.48 -0.00 7.07 2.03 -1.26 -3.56 116.55 111.32 1wgq n ASP 63 Ca -0.02 0.44 0.06 0.00 0.52 0.00 0.00 54.79 55.79 1wgq n ASP 63 Cb 0.52 -3.12 -0.09 0.00 -0.72 0.00 0.00 41.12 37.71 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 -3.03 1.22 -0.09 -0.67 0.28 -1.26 -4.63 120.64 112.46 1wgq n GLU 64 Ca -0.00 -0.08 -0.14 0.00 -0.16 0.00 0.00 57.16 56.78 1wgq n GLU 64 Cb 0.61 -1.22 -0.07 0.00 1.43 0.00 0.00 31.44 32.19 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 0.00 -3.49 -1.84 -0.73 -2.00 -3.49 115.58 104.03 1wgq h ASN 65 Ca 0.00 -0.27 0.00 0.00 1.87 0.00 0.00 56.30 57.90 1wgq h ASN 65 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1wgq h ASN 65 CO 0.00 1.14 0.00 -1.20 -0.37 0.00 0.00 177.43 177.00 1wgq n SER 66 N -4.52 0.59 0.00 1.15 7.64 -1.26 -5.08 113.62 112.13 1wgq n SER 66 Ca -0.20 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1wgq n SER 66 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 -0.63 0.00 -1.48 1.43 0.28 -1.23 -4.37 120.64 114.63 1wgq n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1wgq n GLU 67 Cb 0.00 -0.54 -0.00 0.00 1.43 0.00 0.00 31.44 32.33 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 -2.29 0.33 -0.51 -1.84 2.88 -1.26 -4.26 113.62 106.67 1wgq n SER 68 Ca 0.00 -2.01 0.07 0.00 -1.33 0.00 0.00 58.87 55.60 1wgq n SER 68 Cb 0.24 -0.09 0.14 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.19 1.14 -3.75 -1.46 5.02 -1.26 -4.70 118.16 113.34 1wgq n LYS 69 Ca -0.05 -2.67 -0.13 0.00 -2.02 0.00 0.00 58.31 53.44 1wgq n LYS 69 Cb 0.98 -1.28 -0.11 0.00 -0.02 0.00 0.00 35.03 34.60 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 0.00 0.36 -0.18 0.11 -1.26 -2.67 120.40 114.34 1wgq s VAL 70 Ca 0.32 -0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 1wgq s VAL 70 Cb 0.30 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 1wgq s VAL 70 CO -0.04 -0.00 0.20 0.72 -3.33 0.00 0.00 175.10 172.64 1wgq s PHE 71 N 0.17 1.73 0.03 1.54 -0.71 -0.40 -2.14 117.98 118.19 1wgq s PHE 71 Ca -0.00 -1.46 0.03 0.00 -1.04 0.00 0.00 56.93 54.46 1wgq s PHE 71 Cb -0.02 -0.92 -0.02 0.00 -1.21 0.00 0.00 43.02 40.85 1wgq s PHE 71 CO 0.01 -0.58 -0.10 -0.65 -1.34 0.00 0.00 175.22 172.56 1wgq s GLN 72 N -3.62 0.67 -0.63 1.99 -0.21 -0.55 -1.27 119.66 116.02 1wgq s GLN 72 Ca 0.33 -0.64 -0.19 0.00 0.02 0.00 0.00 55.36 54.87 1wgq s GLN 72 Cb 0.03 -0.58 0.11 0.00 1.00 0.00 0.00 33.01 33.56 1wgq s GLN 72 CO 0.20 0.14 0.77 -1.17 -2.12 0.00 0.00 175.29 173.11 1wgq s LEU 73 N -1.11 5.30 0.36 2.90 2.96 0.21 -2.74 118.68 126.57 1wgq s LEU 73 Ca -0.03 -1.47 -0.22 0.00 -0.22 0.00 0.00 54.13 52.20 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 -1.13 0.90 -0.76 -1.32 0.00 0.00 176.35 174.04 1wgq s LEU 74 N 2.77 4.13 -0.19 -0.68 1.43 0.13 0.17 118.68 126.43 1wgq s LEU 74 Ca 0.14 1.65 -0.04 0.00 -1.03 0.00 0.00 54.13 54.86 1wgq s LEU 74 Cb -0.21 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 41.86 1wgq s LEU 74 CO 0.05 -0.20 0.07 -2.28 0.23 0.00 0.00 176.35 174.22 1wgq s HIS 75 N -1.90 0.59 0.00 0.29 5.65 0.52 0.19 115.29 120.63 1wgq s HIS 75 Ca 0.55 -0.61 0.00 0.00 0.25 0.00 0.00 55.06 55.25 1wgq s HIS 75 Cb -0.13 -0.87 0.00 0.00 -1.18 0.00 0.00 32.58 30.40 1wgq s HIS 75 CO 0.18 -0.58 0.00 1.63 -0.65 0.00 0.00 174.74 175.32 1wgq n LYS 76 N 5.17 -1.13 0.00 2.88 5.02 -1.25 -1.15 118.16 127.70 1wgq n LYS 76 Ca -0.08 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1wgq n LYS 76 Cb 0.48 -4.18 0.00 0.00 -0.02 0.00 0.00 35.03 31.31 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 -0.67 2.36 3.79 0.72 0.00 -1.26 -5.08 105.19 105.04 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 -0.29 0.00 0.00 0.00 173.32 173.03 1wgq s MET 78 N -0.32 3.94 0.33 1.61 0.00 -0.30 -5.00 119.30 119.55 1wgq s MET 78 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 55.69 55.31 1wgq s MET 78 Cb 0.00 -3.33 -0.12 0.00 0.00 0.00 0.00 34.83 31.38 1wgq s MET 78 CO 0.00 0.47 1.46 0.28 0.00 0.00 0.00 175.02 177.23 1wgq n VAL 79 N 2.91 1.64 -0.07 10.11 0.31 -1.26 0.20 118.33 132.16 1wgq n VAL 79 Ca -0.16 -0.41 -0.10 0.00 -0.01 0.00 0.00 64.34 63.66 1wgq n VAL 79 Cb 0.53 -1.82 -0.07 0.00 -0.91 0.00 0.00 33.84 31.57 1wgq n VAL 79 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1wgq n PHE 80 N 0.99 0.00 -3.65 3.52 7.35 0.46 -4.75 117.46 121.38 1wgq n PHE 80 Ca 0.05 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.71 1wgq n PHE 80 Cb 0.37 -0.56 -0.01 0.00 0.35 0.00 0.00 39.48 39.63 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 -2.29 -0.14 0.27 -5.13 2.02 -1.15 -4.98 117.35 105.95 1wgq s TYR 81 Ca -0.19 -0.04 0.06 0.00 -0.37 0.00 0.00 57.07 56.53 1wgq s TYR 81 Cb 0.05 0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 42.16 1wgq s TYR 81 CO 0.34 -0.53 0.31 0.08 -1.57 0.00 0.00 175.55 174.18 1wgq s VAL 82 N -2.88 4.54 -0.21 0.71 1.01 0.65 0.67 120.40 124.89 1wgq s VAL 82 Ca 0.11 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 1wgq s VAL 82 Cb 0.01 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 32.94 1wgq s VAL 82 CO -0.02 -0.29 0.48 -0.36 0.00 0.00 0.00 175.10 174.91 1wgq s PHE 83 N -2.11 -0.81 -0.08 5.22 0.40 -0.40 -2.58 117.98 117.63 1wgq s PHE 83 Ca 0.36 1.59 -0.01 0.00 -0.60 0.00 0.00 56.93 58.27 1wgq s PHE 83 Cb -0.08 0.39 -0.03 0.00 0.51 0.00 0.00 43.02 43.80 1wgq s PHE 83 CO 0.27 -0.44 -0.00 0.21 0.70 0.00 0.00 175.22 175.96 1wgq s LYS 84 N 1.94 2.96 0.20 0.44 2.36 0.80 -1.28 119.74 127.15 1wgq s LYS 84 Ca -0.07 -0.43 0.06 0.00 -2.55 0.00 0.00 55.97 52.98 1wgq s LYS 84 Cb -0.09 -2.77 -0.04 0.00 -1.05 0.00 0.00 37.83 33.88 1wgq s LYS 84 CO -0.15 0.69 0.11 0.00 1.55 0.00 0.00 175.35 177.56 1wgq s ALA 85 N -0.90 3.46 0.09 3.13 0.00 -1.09 -2.86 121.76 123.59 1wgq s ALA 85 Ca 0.14 -1.34 -0.36 0.00 0.00 0.00 0.00 51.96 50.40 1wgq s ALA 85 Cb -0.11 -1.22 -0.16 0.00 0.00 0.00 0.00 23.12 21.62 1wgq s ALA 85 CO 0.03 0.41 1.56 -0.44 0.00 0.00 0.00 175.76 177.31 1wgq h ASP 86 N 2.16 -1.49 -4.42 0.00 5.19 -1.88 -3.45 116.42 112.53 1wgq h ASP 86 Ca -0.47 0.14 -0.46 0.00 -0.62 0.00 0.00 57.03 55.61 1wgq h ASP 86 Cb 1.22 0.52 -0.09 0.00 0.18 0.00 0.00 39.33 41.15 1wgq h ASP 86 CO 0.61 -0.63 -0.35 0.47 -3.12 0.00 0.00 179.24 176.23 1wgq n ASP 87 N -5.53 2.59 0.25 6.45 8.00 -1.26 -5.05 116.55 121.99 1wgq n ASP 87 Ca -0.11 -2.61 -0.10 0.00 0.71 0.00 0.00 54.79 52.68 1wgq n ASP 87 Cb 0.45 0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.87 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 1.26 -0.71 -0.98 2.24 0.00 -1.87 -2.64 119.26 116.55 1wgq h ALA 88 Ca -0.29 -0.15 0.39 0.00 0.00 0.00 0.00 54.91 54.86 1wgq h ALA 88 Cb 0.92 0.26 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1wgq h ALA 88 CO 0.48 -0.66 0.46 0.72 0.00 0.00 0.00 179.25 180.25 1wgq n HIS 89 N -5.08 1.08 0.29 0.00 8.25 -1.26 0.11 115.22 118.60 1wgq n HIS 89 Ca -0.08 1.16 -0.16 0.00 -0.26 0.00 0.00 57.72 58.37 1wgq n HIS 89 Cb 0.27 -1.52 -0.08 0.00 1.12 0.00 0.00 29.99 29.78 1wgq n HIS 89 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1wgq h SER 90 N 0.00 -0.58 -0.88 0.41 0.02 -1.95 -2.16 113.55 108.40 1wgq h SER 90 Ca 0.80 -0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.88 1wgq h SER 90 Cb 2.08 0.15 -0.14 0.00 0.14 0.00 0.00 62.40 64.62 1wgq h SER 90 CO -0.77 -0.37 -0.34 0.41 -1.14 0.00 0.00 176.83 174.61 1wgq n THR 91 N -5.36 -0.46 -0.07 -2.27 -1.04 0.29 0.12 114.28 105.49 1wgq n THR 91 Ca -0.12 2.07 -0.08 0.00 -2.04 0.00 0.00 64.05 63.88 1wgq n THR 91 Cb 0.30 -2.73 -0.01 0.00 -1.82 0.00 0.00 70.33 66.07 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 0.26 -0.44 -2.82 1.08 -1.33 0.64 115.11 112.50 1wgq h GLN 92 Ca 0.31 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.58 1wgq h GLN 92 Cb 0.53 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.83 1wgq h GLN 92 CO -0.88 0.17 -0.03 0.00 -0.95 0.00 0.00 178.83 177.15 1wgq h ARG 93 N 0.27 0.08 0.04 1.46 3.08 0.16 1.13 114.38 120.59 1wgq h ARG 93 Ca 0.12 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1wgq h ARG 93 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1wgq h ARG 93 CO -0.10 0.05 -0.02 -1.49 -1.07 0.00 0.00 179.97 177.35 1wgq h TRP 94 N 0.08 -0.05 0.04 3.04 4.06 -0.01 0.46 115.95 123.58 1wgq h TRP 94 Ca 0.22 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.17 1wgq h TRP 94 Cb 0.32 0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 1wgq h TRP 94 CO -0.31 0.23 -0.21 0.82 -3.56 0.00 0.00 178.44 175.42 1wgq h ILE 95 N -0.33 0.00 -0.97 1.49 2.04 0.12 0.88 117.51 120.74 1wgq h ILE 95 Ca -0.01 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1wgq h ILE 95 Cb 0.30 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.29 1wgq h ILE 95 CO 0.01 0.00 0.61 -0.78 0.00 0.00 0.00 178.15 177.99 1wgq h ASP 96 N -0.29 0.75 0.01 1.72 3.58 0.12 0.94 116.42 123.25 1wgq h ASP 96 Ca -0.00 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1wgq h ASP 96 Cb 0.29 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1wgq h ASP 96 CO -0.12 0.33 -0.05 0.00 -2.88 0.00 0.00 179.24 176.53 1wgq h ALA 97 N 1.60 1.76 0.06 -0.78 0.00 0.13 0.24 119.26 122.27 1wgq h ALA 97 Ca 0.52 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 55.04 1wgq h ALA 97 Cb 0.79 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1wgq h ALA 97 CO -0.29 0.18 -1.49 0.74 0.00 0.00 0.00 179.25 178.40 1wgq h PHE 98 N 0.12 0.23 0.31 0.00 0.04 0.75 -3.31 116.94 115.09 1wgq h PHE 98 Ca 0.03 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1wgq h PHE 98 Cb 0.17 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1wgq h PHE 98 CO 0.00 1.22 -0.15 1.96 -0.60 0.00 0.00 178.31 180.74 1wgq h GLN 99 N 0.03 -0.40 -1.02 1.51 1.08 0.99 -2.92 115.11 114.38 1wgq h GLN 99 Ca -0.21 0.03 0.33 0.00 -1.45 0.00 0.00 58.65 57.35 1wgq h GLN 99 Cb 1.96 0.09 -0.15 0.00 -0.05 0.00 0.00 27.48 29.34 1wgq h GLN 99 CO 0.13 -0.07 0.58 0.93 -0.95 0.00 0.00 178.83 179.46 1wgq h GLU 100 N -0.87 0.28 0.42 1.46 5.08 -0.71 0.25 114.58 120.49 1wgq h GLU 100 Ca -0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1wgq h GLU 100 Cb 0.52 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wgq h GLU 100 CO 0.07 0.19 -0.20 0.78 -1.00 0.00 0.00 179.01 178.85 1wgq h GLY 101 N 0.29 -0.58 0.03 -3.84 0.00 -1.62 -3.08 103.07 94.27 1wgq h GLY 101 Ca 0.74 0.22 0.16 0.00 0.00 0.00 0.00 47.33 48.45 1wgq h GLY 101 CO -0.60 -0.21 0.30 -0.91 0.00 0.00 0.00 176.54 175.11 1wgq h THR 102 N -0.56 0.59 -1.49 4.70 1.35 -1.02 -3.41 112.91 113.07 1wgq h THR 102 Ca -0.06 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1wgq h THR 102 Cb 0.43 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1wgq h THR 102 CO 0.09 0.07 0.00 1.33 -0.25 0.00 0.00 175.52 176.77 1wgq n VAL 103 N -5.04 0.00 -0.72 6.82 0.24 0.75 -4.68 118.33 115.70 1wgq n VAL 103 Ca 0.16 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.48 1wgq n VAL 103 Cb 0.47 -1.86 0.03 0.00 -1.47 0.00 0.00 33.84 31.01 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 -0.59 1.29 0.00 -1.34 2.88 -1.25 -4.87 113.62 109.74 1wgq n SER 104 Ca 0.00 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 1wgq n SER 104 Cb 0.00 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 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 -0.48 -1.59 3.81 0.46 0.00 -1.26 -4.91 105.19 101.22 1wgq n GLY 105 Ca 0.03 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 2.18 -0.40 1.61 0.04 -1.26 -5.03 135.00 132.15 1wgq s PRO 106 Ca 0.00 0.67 -0.09 0.00 0.04 0.00 0.00 61.00 61.61 1wgq s PRO 106 Cb 0.00 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.67 1wgq s PRO 106 CO 0.00 -1.56 0.23 -1.12 0.04 0.00 0.00 177.00 174.59 1wgq s SER 107 N -3.90 5.62 -0.15 6.66 0.01 -1.26 -4.94 113.70 115.73 1wgq s SER 107 Ca 0.60 -1.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.42 1wgq s SER 107 Cb -0.14 -1.98 -0.07 0.00 0.21 0.00 0.00 66.02 64.04 1wgq s SER 107 CO 0.54 -0.47 -0.07 0.28 0.41 0.00 0.00 173.24 173.93 1wgq h SER 108 N 8.39 0.00 0.00 2.44 0.02 -1.99 -3.57 113.55 118.85 1wgq h SER 108 Ca -0.24 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1wgq h SER 108 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1wgq h SER 108 CO 0.71 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.93