#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 -7.37 -4.36 1.61 7.64 -1.26 -5.00 113.62 104.87 1wgq n SER 2 Ca 0.00 0.60 -0.35 0.00 1.01 0.00 0.00 58.87 60.13 1wgq n SER 2 Cb 0.00 -4.95 -0.13 0.00 -1.01 0.00 0.00 64.21 58.11 1wgq n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgq s SER 3 N -2.30 4.52 0.00 6.43 0.01 -1.26 -5.05 113.70 116.05 1wgq s SER 3 Ca 0.19 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1wgq s SER 3 Cb -0.05 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1wgq s SER 3 CO 0.69 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.95 1wgq n GLY 4 N 4.66 1.09 3.56 3.44 0.00 -1.26 -5.08 105.19 111.60 1wgq n GLY 4 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.00 -0.83 0.25 1.61 0.15 -1.26 -5.06 113.70 107.56 1wgq s SER 5 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1wgq s SER 5 Cb 0.00 1.81 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 1wgq s SER 5 CO 0.00 -0.17 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 1wgq n SER 6 N 4.90 -0.21 0.00 5.45 7.64 -1.26 -5.14 113.62 125.00 1wgq n SER 6 Ca -0.13 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1wgq n SER 6 Cb 0.53 0.41 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 1wgq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgq n GLY 7 N 1.46 1.81 3.81 0.23 0.00 -1.26 -5.15 105.19 106.09 1wgq n GLY 7 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 1.58 4.31 -0.04 1.61 0.01 -1.26 -5.01 113.70 114.90 1wgq s SER 8 Ca 0.00 1.17 -0.19 0.00 1.31 0.00 0.00 55.95 58.24 1wgq s SER 8 Cb 0.00 -1.85 -0.13 0.00 0.21 0.00 0.00 66.02 64.25 1wgq s SER 8 CO 0.00 -2.07 0.79 0.74 0.41 0.00 0.00 173.24 173.11 1wgq h THR 9 N -1.16 0.55 -2.57 1.44 2.02 -2.02 -3.47 112.91 107.70 1wgq h THR 9 Ca -0.48 -0.93 -0.10 0.00 0.77 0.00 0.00 66.41 65.67 1wgq h THR 9 Cb 1.29 0.91 -0.24 0.00 -1.74 0.00 0.00 68.15 68.36 1wgq h THR 9 CO 0.61 0.14 -0.19 -0.32 0.37 0.00 0.00 175.52 176.12 1wgq s MET 10 N -3.40 0.51 -0.24 6.66 0.00 -1.26 -5.07 119.30 116.49 1wgq s MET 10 Ca -0.11 0.73 -0.27 0.00 0.00 0.00 0.00 55.69 56.04 1wgq s MET 10 Cb 0.01 0.17 0.15 0.00 0.00 0.00 0.00 34.83 35.16 1wgq s MET 10 CO 0.39 -0.10 1.14 -1.54 0.00 0.00 0.00 175.02 174.92 1wgq s SER 11 N 0.69 -0.29 0.00 1.11 1.04 -1.26 -2.57 113.70 112.42 1wgq s SER 11 Ca -0.04 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1wgq s SER 11 Cb -0.05 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1wgq s SER 11 CO -0.05 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1wgq n GLY 12 N 1.33 3.47 3.71 7.32 0.00 -1.18 -5.05 105.19 114.78 1wgq n GLY 12 Ca -0.09 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 2.66 0.11 1.61 2.02 -1.26 -3.71 117.35 116.77 1wgq s TYR 13 Ca 0.00 0.27 0.05 0.00 -0.37 0.00 0.00 57.07 57.03 1wgq s TYR 13 Cb 0.00 -4.10 -0.04 0.00 -0.40 0.00 0.00 41.96 37.42 1wgq s TYR 13 CO 0.00 -4.31 -0.13 -0.51 -1.57 0.00 0.00 175.55 169.03 1wgq s LEU 14 N 1.77 2.38 -0.42 -1.29 1.43 -0.13 -4.89 118.68 117.53 1wgq s LEU 14 Ca 0.76 -0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 52.91 1wgq s LEU 14 Cb -0.47 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.28 1wgq s LEU 14 CO 0.33 -0.15 0.44 -0.31 0.23 0.00 0.00 176.35 176.89 1wgq s TYR 15 N -2.02 3.17 -0.03 0.29 2.02 -1.24 -1.98 117.35 117.56 1wgq s TYR 15 Ca 0.06 -0.36 -0.18 0.00 -0.37 0.00 0.00 57.07 56.21 1wgq s TYR 15 Cb -0.06 -2.90 -0.05 0.00 -0.40 0.00 0.00 41.96 38.55 1wgq s TYR 15 CO 0.02 -0.70 0.51 0.50 -1.57 0.00 0.00 175.55 174.31 1wgq s ARG 16 N 2.15 4.22 0.05 -0.62 3.52 0.64 -2.69 118.95 126.22 1wgq s ARG 16 Ca 0.12 0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 56.26 1wgq s ARG 16 Cb -0.17 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1wgq s ARG 16 CO 0.14 0.42 0.06 0.45 -0.81 0.00 0.00 175.30 175.55 1wgq s SER 17 N -0.27 0.28 -0.16 -2.12 0.15 -1.01 -0.03 113.70 110.54 1wgq s SER 17 Ca 0.28 -0.71 0.12 0.00 0.70 0.00 0.00 55.95 56.33 1wgq s SER 17 Cb -0.17 0.23 0.63 0.00 -1.71 0.00 0.00 66.02 65.00 1wgq s SER 17 CO 0.14 -0.57 1.49 0.29 1.20 0.00 0.00 173.24 175.80 1wgq n LYS 18 N 0.45 3.84 0.00 5.44 4.76 -1.26 0.13 118.16 131.51 1wgq n LYS 18 Ca -0.17 -2.45 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 1wgq n LYS 18 Cb 0.60 -2.01 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 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 0.65 0.77 3.89 0.72 0.00 -1.26 -4.93 105.19 105.04 1wgq n GLY 19 Ca 0.22 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 4.21 -1.24 1.61 0.01 -1.26 -3.70 113.70 109.33 1wgq s SER 20 Ca 0.00 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1wgq s SER 20 Cb 0.00 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1wgq s SER 20 CO 0.00 -2.09 0.00 0.29 0.41 0.00 0.00 173.24 171.85 1wgq n LYS 21 N -3.43 -1.66 -4.43 12.44 5.02 -1.26 -4.92 118.16 119.93 1wgq n LYS 21 Ca 0.09 0.69 -0.25 0.00 -2.02 0.00 0.00 58.31 56.82 1wgq n LYS 21 Cb 0.61 -5.08 -0.11 0.00 -0.02 0.00 0.00 35.03 30.43 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 -3.88 1.54 0.23 1.97 -0.14 -1.24 -5.12 119.74 113.10 1wgq s LYS 22 Ca 0.00 -1.59 -0.30 0.00 -1.36 0.00 0.00 55.97 52.72 1wgq s LYS 22 Cb 0.00 -1.76 -0.09 0.00 -1.68 0.00 0.00 37.83 34.30 1wgq s LYS 22 CO 0.00 0.36 1.10 -1.25 -0.76 0.00 0.00 175.35 174.80 1wgq s PRO 23 N -2.95 4.62 0.15 -1.68 0.04 -1.26 -4.97 135.00 128.95 1wgq s PRO 23 Ca 0.23 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 1wgq s PRO 23 Cb -0.07 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 1wgq s PRO 23 CO 0.11 0.15 0.96 -1.58 0.04 0.00 0.00 177.00 176.68 1wgq s TRP 24 N -0.71 3.86 -0.29 0.56 0.52 -1.26 -4.64 118.94 116.98 1wgq s TRP 24 Ca 0.47 1.83 -0.07 0.00 0.02 0.00 0.00 56.10 58.35 1wgq s TRP 24 Cb -0.31 -3.04 0.01 0.00 -1.15 0.00 0.00 33.47 28.98 1wgq s TRP 24 CO 0.38 0.26 0.07 0.15 0.02 0.00 0.00 176.95 177.83 1wgq s LYS 25 N -0.37 3.11 -0.56 4.98 3.01 0.96 -4.89 119.74 125.98 1wgq s LYS 25 Ca 0.45 -0.84 -0.28 0.00 -1.01 0.00 0.00 55.97 54.29 1wgq s LYS 25 Cb -0.24 -3.35 0.03 0.00 -1.01 0.00 0.00 37.83 33.25 1wgq s LYS 25 CO 0.31 -0.43 1.22 -1.58 0.51 0.00 0.00 175.35 175.38 1wgq s HIS 26 N 1.50 2.59 0.18 3.18 5.65 -1.26 -0.26 115.29 126.86 1wgq s HIS 26 Ca 0.03 0.46 0.00 0.00 0.25 0.00 0.00 55.06 55.80 1wgq s HIS 26 Cb -0.17 -4.49 -0.04 0.00 -1.18 0.00 0.00 32.58 26.69 1wgq s HIS 26 CO 0.02 -1.61 0.07 -0.51 -0.65 0.00 0.00 174.74 172.06 1wgq s LEU 27 N 5.04 1.68 -0.04 8.88 1.43 -0.84 -4.98 118.68 129.84 1wgq s LEU 27 Ca 0.45 -1.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1wgq s LEU 27 Cb -0.08 0.18 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 1wgq s LEU 27 CO 0.26 -0.72 0.05 0.86 0.23 0.00 0.00 176.35 177.03 1wgq s TRP 28 N -3.92 3.24 0.03 0.29 -0.11 -0.22 -0.95 118.94 117.29 1wgq s TRP 28 Ca 0.30 0.21 0.01 0.00 1.22 0.00 0.00 56.10 57.85 1wgq s TRP 28 Cb 0.07 -1.76 -0.02 0.00 -1.50 0.00 0.00 33.47 30.26 1wgq s TRP 28 CO 0.07 0.53 -0.05 -0.06 -4.62 0.00 0.00 176.95 172.82 1wgq s PHE 29 N -1.05 0.41 0.04 5.86 0.08 -1.24 0.87 117.98 122.94 1wgq s PHE 29 Ca 0.18 -0.48 -0.00 0.00 0.12 0.00 0.00 56.93 56.75 1wgq s PHE 29 Cb -0.12 -0.26 -0.03 0.00 -0.57 0.00 0.00 43.02 42.04 1wgq s PHE 29 CO 0.08 -0.14 -0.04 0.08 -0.10 0.00 0.00 175.22 175.11 1wgq s VAL 30 N -1.33 0.25 -0.55 -0.44 1.01 -1.14 -3.10 120.40 115.10 1wgq s VAL 30 Ca -0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 1wgq s VAL 30 Cb -0.09 -0.98 0.14 0.00 0.00 0.00 0.00 36.38 35.45 1wgq s VAL 30 CO -0.00 -0.74 0.36 -0.63 0.00 0.00 0.00 175.10 174.08 1wgq s ILE 31 N -2.74 3.53 -0.08 2.22 1.01 -1.06 -1.98 121.20 122.11 1wgq s ILE 31 Ca -0.03 -2.67 0.04 0.00 0.00 0.00 0.00 60.65 57.99 1wgq s ILE 31 Cb -0.01 -3.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 1wgq s ILE 31 CO -0.05 -0.81 -0.21 -0.75 0.00 0.00 0.00 174.94 173.11 1wgq s LYS 32 N 0.33 2.52 -1.48 2.79 2.20 -0.59 -4.62 119.74 120.89 1wgq s LYS 32 Ca 0.14 -0.77 -0.11 0.00 -0.36 0.00 0.00 55.97 54.87 1wgq s LYS 32 Cb -0.21 -2.01 0.07 0.00 -1.51 0.00 0.00 37.83 34.16 1wgq s LYS 32 CO -0.04 0.21 0.88 -1.71 -0.36 0.00 0.00 175.35 174.33 1wgq n ASN 33 N 3.38 -5.01 -1.98 1.43 5.15 -1.26 0.82 115.26 117.79 1wgq n ASN 33 Ca -0.19 -0.62 -0.18 0.00 -0.60 0.00 0.00 54.58 52.99 1wgq n ASN 33 Cb 0.53 -4.01 -0.04 0.00 -0.53 0.00 0.00 39.78 35.72 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 -4.48 -1.64 -4.98 1.20 5.02 -1.26 -4.89 118.16 107.14 1wgq n LYS 34 Ca 0.01 0.97 -0.32 0.00 -2.02 0.00 0.00 58.31 56.95 1wgq n LYS 34 Cb 0.54 -5.47 -0.15 0.00 -0.02 0.00 0.00 35.03 29.93 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 -2.72 2.63 -0.83 -0.18 1.01 0.24 -1.45 120.40 119.09 1wgq s VAL 35 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 1wgq s VAL 35 Cb 0.00 -2.06 0.11 0.00 0.00 0.00 0.00 36.38 34.43 1wgq s VAL 35 CO 0.00 0.54 1.07 -0.22 0.00 0.00 0.00 175.10 176.49 1wgq s LEU 36 N 0.24 4.81 0.44 3.92 1.98 0.29 -1.54 118.68 128.82 1wgq s LEU 36 Ca -0.12 -1.67 -0.21 0.00 -2.89 0.00 0.00 54.13 49.24 1wgq s LEU 36 Cb -0.16 -2.41 -0.11 0.00 0.66 0.00 0.00 46.19 44.18 1wgq s LEU 36 CO 0.06 -1.20 0.96 -0.31 -1.89 0.00 0.00 176.35 173.98 1wgq s TYR 37 N 3.18 3.26 -0.07 5.38 2.02 -0.84 -2.39 117.35 127.90 1wgq s TYR 37 Ca 0.29 1.61 -0.05 0.00 -0.37 0.00 0.00 57.07 58.55 1wgq s TYR 37 Cb -0.09 -2.88 -0.04 0.00 -0.40 0.00 0.00 41.96 38.54 1wgq s TYR 37 CO -0.03 -0.22 0.15 0.99 -1.57 0.00 0.00 175.55 174.87 1wgq s THR 38 N -2.14 5.41 0.33 -0.71 2.01 0.95 -2.90 115.64 118.58 1wgq s THR 38 Ca 0.63 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 1wgq s THR 38 Cb -0.10 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 1wgq s THR 38 CO 0.14 0.50 0.43 -0.31 -0.69 0.00 0.00 174.62 174.69 1wgq s TYR 39 N -1.14 1.10 0.00 4.92 2.02 0.25 0.37 117.35 124.87 1wgq s TYR 39 Ca 0.20 -1.30 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 1wgq s TYR 39 Cb -0.12 -0.17 0.00 0.00 -0.40 0.00 0.00 41.96 41.27 1wgq s TYR 39 CO 0.10 -1.07 0.00 0.00 -1.57 0.00 0.00 175.55 173.01 1wgq n ALA 40 N -0.54 2.51 -2.69 3.71 0.00 -1.26 -1.05 120.51 121.19 1wgq n ALA 40 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1wgq n ALA 40 Cb 0.62 0.32 -0.08 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.82 3.29 0.13 0.00 0.00 -1.26 -4.23 121.76 117.87 1wgq s ALA 41 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 1wgq s ALA 41 Cb 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 23.12 21.86 1wgq s ALA 41 CO 0.00 0.66 1.51 1.03 0.00 0.00 0.00 175.76 178.96 1wgq h SER 42 N 3.29 -1.86 -1.92 0.00 0.87 -1.99 -1.78 113.55 110.17 1wgq h SER 42 Ca -0.48 0.26 -0.69 0.00 -1.23 0.00 0.00 61.79 59.66 1wgq h SER 42 Cb 1.17 0.79 -0.35 0.00 -0.44 0.00 0.00 62.40 63.57 1wgq h SER 42 CO 0.59 -0.31 0.17 -0.62 -0.53 0.00 0.00 176.83 176.14 1wgq n GLU 43 N -5.15 3.50 -1.62 2.24 1.02 -1.26 -5.05 120.64 114.32 1wgq n GLU 43 Ca -0.01 -4.26 -0.40 0.00 -0.02 0.00 0.00 57.16 52.47 1wgq n GLU 43 Cb 0.29 -2.29 0.03 0.00 -0.02 0.00 0.00 31.44 29.44 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 -0.40 1.16 -0.20 1.62 -0.08 -0.67 -4.83 116.55 113.15 1wgq n ASP 44 Ca 0.44 0.95 0.15 0.00 -1.51 0.00 0.00 54.79 54.82 1wgq n ASP 44 Cb 0.41 -1.38 0.47 0.00 2.34 0.00 0.00 41.12 42.96 1wgq n ASP 44 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1wgq h VAL 45 N 1.17 0.79 -3.38 5.18 -1.51 -1.96 -3.44 116.25 113.10 1wgq h VAL 45 Ca -0.46 -0.17 -0.08 0.00 -1.23 0.00 0.00 66.70 64.76 1wgq h VAL 45 Cb 1.34 0.27 -0.04 0.00 -2.13 0.00 0.00 31.29 30.73 1wgq h VAL 45 CO 0.55 0.09 0.10 0.00 -1.23 0.00 0.00 177.57 177.07 1wgq s ALA 46 N -5.48 -0.34 0.16 5.19 0.00 -1.26 -5.16 121.76 114.87 1wgq s ALA 46 Ca -0.08 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 1wgq s ALA 46 Cb 0.21 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 24.14 1wgq s ALA 46 CO 0.77 -0.93 0.56 0.00 0.00 0.00 0.00 175.76 176.16 1wgq s ALA 47 N -2.90 3.57 0.09 0.00 0.00 -1.26 -4.80 121.76 116.46 1wgq s ALA 47 Ca 0.20 -0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 1wgq s ALA 47 Cb -0.03 -2.52 -0.18 0.00 0.00 0.00 0.00 23.12 20.38 1wgq s ALA 47 CO 0.13 0.46 1.26 -0.07 0.00 0.00 0.00 175.76 177.53 1wgq h LEU 48 N 3.43 0.90 -8.32 0.00 3.38 -0.42 -3.48 115.31 110.80 1wgq h LEU 48 Ca -0.48 -0.65 -0.13 0.00 0.09 0.00 0.00 57.88 56.71 1wgq h LEU 48 Cb 1.19 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 1wgq h LEU 48 CO 0.66 1.45 -0.12 -1.61 0.09 0.00 0.00 178.44 178.92 1wgq s GLU 49 N -3.52 1.72 -0.03 1.13 0.41 -1.21 -4.97 118.70 112.23 1wgq s GLU 49 Ca -0.10 -1.44 -0.01 0.00 -0.41 0.00 0.00 54.97 53.02 1wgq s GLU 49 Cb 0.08 0.47 0.03 0.00 -1.78 0.00 0.00 34.13 32.93 1wgq s GLU 49 CO 0.91 -0.72 0.05 -1.54 -0.49 0.00 0.00 175.26 173.47 1wgq s SER 50 N -3.10 0.02 -0.13 -0.19 1.04 -1.26 -0.04 113.70 110.05 1wgq s SER 50 Ca 0.25 0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.72 1wgq s SER 50 Cb -0.01 -0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.17 1wgq s SER 50 CO 0.13 -0.11 0.18 -1.58 0.98 0.00 0.00 173.24 172.84 1wgq s GLN 51 N 0.90 0.09 0.42 4.02 2.00 -1.01 -4.99 119.66 121.10 1wgq s GLN 51 Ca -0.07 0.39 -0.23 0.00 -2.00 0.00 0.00 55.36 53.45 1wgq s GLN 51 Cb -0.10 -0.72 -0.09 0.00 0.80 0.00 0.00 33.01 32.90 1wgq s GLN 51 CO -0.03 -0.45 1.05 -1.25 -0.50 0.00 0.00 175.29 174.11 1wgq s PRO 52 N 2.30 4.09 -0.44 1.67 0.04 -1.26 0.10 135.00 141.50 1wgq s PRO 52 Ca 0.04 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 1wgq s PRO 52 Cb -0.14 -2.46 0.30 0.00 0.04 0.00 0.00 34.50 32.24 1wgq s PRO 52 CO -0.08 -0.20 2.02 1.28 0.04 0.00 0.00 177.00 180.05 1wgq n LEU 53 N -0.24 6.88 -4.52 -3.56 4.77 -0.53 -4.80 117.00 115.01 1wgq n LEU 53 Ca 0.06 -3.63 -0.43 0.00 -0.03 0.00 0.00 56.01 51.98 1wgq n LEU 53 Cb 0.50 -1.03 -0.05 0.00 -2.33 0.00 0.00 43.42 40.51 1wgq n LEU 53 CO 0.44 1.30 0.56 -0.22 -1.33 0.00 0.00 177.39 178.15 1wgq s LEU 54 N -2.50 4.35 0.00 2.23 1.98 -1.26 -3.81 118.68 119.67 1wgq s LEU 54 Ca 0.42 -0.33 0.00 0.00 -2.89 0.00 0.00 54.13 51.33 1wgq s LEU 54 Cb 0.33 -2.82 0.00 0.00 0.66 0.00 0.00 46.19 44.37 1wgq s LEU 54 CO -0.01 -0.99 0.00 0.61 -1.89 0.00 0.00 176.35 174.08 1wgq n GLY 55 N 5.06 3.00 3.21 7.98 0.00 -1.26 -5.03 105.19 118.15 1wgq n GLY 55 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.67 -3.30 -3.94 1.61 3.01 -1.25 -4.00 117.46 108.92 1wgq n PHE 56 Ca 0.00 -0.61 -0.08 0.00 1.01 0.00 0.00 57.45 57.77 1wgq n PHE 56 Cb 0.00 -1.39 -0.04 0.00 -0.01 0.00 0.00 39.48 38.04 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 -2.13 0.00 0.06 4.37 2.01 0.49 -4.77 115.64 115.67 1wgq s THR 57 Ca 0.62 -1.25 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 1wgq s THR 57 Cb -0.12 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1wgq s THR 57 CO 0.54 -0.00 0.03 -0.69 -0.69 0.00 0.00 174.62 173.80 1wgq s VAL 58 N -3.98 0.20 -0.10 3.82 1.01 -1.26 0.66 120.40 120.74 1wgq s VAL 58 Ca 0.18 -1.61 -0.32 0.00 0.00 0.00 0.00 61.98 60.23 1wgq s VAL 58 Cb -0.03 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 35.04 1wgq s VAL 58 CO 0.08 -0.89 1.06 0.28 0.00 0.00 0.00 175.10 175.63 1wgq s THR 59 N -3.82 0.00 0.32 3.92 -1.32 -0.99 -4.89 115.64 108.86 1wgq s THR 59 Ca 0.06 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.27 1wgq s THR 59 Cb 0.07 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.96 1wgq s THR 59 CO -0.10 0.00 1.00 -0.22 -2.21 0.00 0.00 174.62 173.09 1wgq s LEU 60 N -2.31 4.39 0.13 9.08 1.98 -1.26 -0.20 118.68 130.49 1wgq s LEU 60 Ca 0.07 1.98 0.11 0.00 -2.89 0.00 0.00 54.13 53.41 1wgq s LEU 60 Cb -0.01 -3.90 -0.04 0.00 0.66 0.00 0.00 46.19 42.90 1wgq s LEU 60 CO -0.07 -0.13 -0.27 0.54 -1.89 0.00 0.00 176.35 174.53 1wgq s VAL 61 N -1.46 2.26 -0.41 1.68 0.11 -0.65 -4.79 120.40 117.13 1wgq s VAL 61 Ca 0.49 -1.76 -0.08 0.00 -2.93 0.00 0.00 61.98 57.70 1wgq s VAL 61 Cb -0.23 -2.00 0.08 0.00 -1.53 0.00 0.00 36.38 32.70 1wgq s VAL 61 CO 0.29 0.09 0.25 -0.75 -3.33 0.00 0.00 175.10 171.65 1wgq s LYS 62 N -2.05 2.52 0.25 1.54 2.20 -1.26 -3.77 119.74 119.18 1wgq s LYS 62 Ca 0.14 -1.51 0.09 0.00 -0.36 0.00 0.00 55.97 54.33 1wgq s LYS 62 Cb -0.10 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 1wgq s LYS 62 CO 0.06 -0.96 0.02 -0.51 -0.36 0.00 0.00 175.35 173.60 1wgq s ASP 63 N 2.08 4.68 0.54 1.43 1.11 0.39 -4.95 116.67 121.95 1wgq s ASP 63 Ca 0.03 -0.57 0.31 0.00 0.18 0.00 0.00 52.55 52.50 1wgq s ASP 63 Cb -0.23 -0.93 1.55 0.00 1.07 0.00 0.00 42.92 44.38 1wgq s ASP 63 CO 0.01 0.01 2.09 1.05 1.18 0.00 0.00 175.17 179.51 1wgq h GLU 64 N 1.93 0.00 0.00 8.23 4.11 -2.02 -3.07 114.58 123.76 1wgq h GLU 64 Ca -0.45 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.69 1wgq h GLU 64 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1wgq h GLU 64 CO 0.60 0.09 -1.62 0.27 0.07 0.00 0.00 179.01 178.42 1wgq n ASN 65 N -3.47 1.89 -4.06 3.06 0.23 -1.26 -4.95 115.26 106.69 1wgq n ASN 65 Ca -0.02 0.40 -0.22 0.00 -0.53 0.00 0.00 54.58 54.22 1wgq n ASN 65 Cb 0.23 -0.92 -0.15 0.00 -2.08 0.00 0.00 39.78 36.86 1wgq n ASN 65 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1wgq s SER 66 N -7.01 1.53 -0.37 0.53 1.04 -1.16 -5.06 113.70 103.20 1wgq s SER 66 Ca -0.31 -0.24 0.12 0.00 0.48 0.00 0.00 55.95 56.00 1wgq s SER 66 Cb 0.08 -0.32 0.36 0.00 0.10 0.00 0.00 66.02 66.25 1wgq s SER 66 CO 0.55 0.12 0.80 -1.84 0.98 0.00 0.00 173.24 173.85 1wgq n GLU 67 N 3.05 1.00 0.00 4.02 0.28 -1.25 0.15 120.64 127.88 1wgq n GLU 67 Ca -0.16 -3.22 0.00 0.00 -0.16 0.00 0.00 57.16 53.62 1wgq n GLU 67 Cb 0.54 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.84 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 0.24 0.00 -0.94 -1.84 2.88 -1.25 -4.91 113.62 107.80 1wgq n SER 68 Ca 0.21 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.85 1wgq n SER 68 Cb 0.68 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.31 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 0.00 2.22 -4.74 -1.46 5.02 -1.26 -4.83 118.16 113.11 1wgq n LYS 69 Ca 0.00 -2.05 -0.24 0.00 -2.02 0.00 0.00 58.31 54.01 1wgq n LYS 69 Cb 0.00 -1.42 -0.15 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.32 1.29 0.41 -0.18 0.11 -1.26 0.11 120.40 119.56 1wgq s VAL 70 Ca 0.31 -0.74 0.04 0.00 -2.93 0.00 0.00 61.98 58.66 1wgq s VAL 70 Cb 0.19 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 1wgq s VAL 70 CO 0.26 0.34 0.12 0.72 -3.33 0.00 0.00 175.10 173.21 1wgq s PHE 71 N -0.43 1.80 0.02 1.54 -0.71 0.31 -1.63 117.98 118.88 1wgq s PHE 71 Ca 0.06 -1.26 0.04 0.00 -1.04 0.00 0.00 56.93 54.73 1wgq s PHE 71 Cb -0.06 -1.18 -0.02 0.00 -1.21 0.00 0.00 43.02 40.55 1wgq s PHE 71 CO -0.00 -0.27 -0.12 -0.65 -1.34 0.00 0.00 175.22 172.84 1wgq s GLN 72 N -3.72 0.86 -0.63 1.99 -0.21 0.71 -0.16 119.66 118.50 1wgq s GLN 72 Ca 0.24 -0.61 -0.19 0.00 0.02 0.00 0.00 55.36 54.82 1wgq s GLN 72 Cb 0.03 -0.84 0.11 0.00 1.00 0.00 0.00 33.01 33.31 1wgq s GLN 72 CO 0.14 0.21 0.76 -1.17 -2.12 0.00 0.00 175.29 173.12 1wgq s LEU 73 N -0.84 5.31 0.32 2.90 2.96 0.19 -2.35 118.68 127.18 1wgq s LEU 73 Ca 0.01 -1.47 -0.21 0.00 -0.22 0.00 0.00 54.13 52.25 1wgq s LEU 73 Cb -0.07 -2.32 -0.10 0.00 0.50 0.00 0.00 46.19 44.21 1wgq s LEU 73 CO 0.01 -1.13 0.84 -0.76 -1.32 0.00 0.00 176.35 173.99 1wgq s LEU 74 N 2.75 4.17 -0.32 -0.68 1.43 0.21 0.14 118.68 126.39 1wgq s LEU 74 Ca 0.14 1.56 -0.02 0.00 -1.03 0.00 0.00 54.13 54.78 1wgq s LEU 74 Cb -0.22 -4.06 0.11 0.00 0.03 0.00 0.00 46.19 42.06 1wgq s LEU 74 CO 0.05 -0.15 0.14 -2.28 0.23 0.00 0.00 176.35 174.34 1wgq s HIS 75 N -1.82 0.87 0.00 0.29 2.46 0.51 0.19 115.29 117.79 1wgq s HIS 75 Ca 0.52 -1.34 0.00 0.00 0.47 0.00 0.00 55.06 54.71 1wgq s HIS 75 Cb -0.14 -1.19 0.00 0.00 -0.13 0.00 0.00 32.58 31.13 1wgq s HIS 75 CO 0.19 -0.84 0.00 1.63 -2.47 0.00 0.00 174.74 173.25 1wgq n LYS 76 N 4.82 0.00 0.00 2.88 5.02 -1.26 -3.12 118.16 126.51 1wgq n LYS 76 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1wgq n LYS 76 Cb 0.41 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 -2.00 1.45 3.88 0.72 0.00 -1.26 -5.11 105.19 102.86 1wgq n GLY 77 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1wgq n GLY 77 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wgq s MET 78 N 0.00 3.70 0.02 1.61 0.23 -1.18 -4.98 119.30 118.69 1wgq s MET 78 Ca 0.00 0.06 -0.30 0.00 -1.03 0.00 0.00 55.69 54.42 1wgq s MET 78 Cb 0.00 -2.87 -0.05 0.00 -1.53 0.00 0.00 34.83 30.38 1wgq s MET 78 CO 0.00 0.48 1.24 0.08 -2.03 0.00 0.00 175.02 174.79 1wgq s VAL 79 N -1.59 4.02 -0.22 5.16 1.01 -1.26 0.19 120.40 127.71 1wgq s VAL 79 Ca 0.39 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.82 1wgq s VAL 79 Cb -0.13 -3.91 -0.20 0.00 0.00 0.00 0.00 36.38 32.15 1wgq s VAL 79 CO 0.22 0.06 -0.06 0.33 0.00 0.00 0.00 175.10 175.65 1wgq n PHE 80 N 4.58 0.25 -3.48 5.22 7.35 0.38 -4.86 117.46 126.89 1wgq n PHE 80 Ca 0.10 0.06 -0.10 0.00 -0.76 0.00 0.00 57.45 56.75 1wgq n PHE 80 Cb 0.46 -1.03 -0.02 0.00 0.35 0.00 0.00 39.48 39.23 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 -2.53 -0.44 0.24 -5.13 2.02 -1.16 -4.92 117.35 105.44 1wgq s TYR 81 Ca -0.28 0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.80 1wgq s TYR 81 Cb 0.08 0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 42.14 1wgq s TYR 81 CO 0.67 -0.65 0.34 0.08 -1.57 0.00 0.00 175.55 174.42 1wgq s VAL 82 N -3.12 5.19 -0.19 0.71 1.01 0.35 0.57 120.40 124.92 1wgq s VAL 82 Ca 0.02 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 1wgq s VAL 82 Cb -0.01 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.62 1wgq s VAL 82 CO -0.09 -0.33 0.44 -0.36 0.00 0.00 0.00 175.10 174.77 1wgq s PHE 83 N -1.99 -0.69 -0.12 5.22 0.08 0.77 -2.40 117.98 118.84 1wgq s PHE 83 Ca 0.34 1.43 -0.00 0.00 0.12 0.00 0.00 56.93 58.82 1wgq s PHE 83 Cb -0.09 0.32 -0.02 0.00 -0.57 0.00 0.00 43.02 42.66 1wgq s PHE 83 CO 0.29 -0.39 -0.11 0.21 -0.10 0.00 0.00 175.22 175.11 1wgq s LYS 84 N 1.65 3.29 0.15 0.44 2.20 -1.10 0.11 119.74 126.49 1wgq s LYS 84 Ca -0.08 -0.65 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1wgq s LYS 84 Cb -0.09 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 1wgq s LYS 84 CO -0.14 0.30 0.23 0.00 -0.36 0.00 0.00 175.35 175.38 1wgq s ALA 85 N 0.15 3.83 0.00 3.13 0.00 0.31 -3.59 121.76 125.59 1wgq s ALA 85 Ca -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1wgq s ALA 85 Cb -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1wgq s ALA 85 CO 0.04 0.53 0.75 -0.25 0.00 0.00 0.00 175.76 176.84 1wgq n ASP 86 N -0.47 0.00 -4.77 0.00 9.92 -1.26 -4.75 116.55 115.22 1wgq n ASP 86 Ca -0.07 0.75 -0.19 0.00 -0.53 0.00 0.00 54.79 54.75 1wgq n ASP 86 Cb 0.54 -0.25 0.07 0.00 -0.64 0.00 0.00 41.12 40.84 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 -1.40 1.93 -0.04 -2.24 9.92 -1.26 -5.02 116.55 118.44 1wgq n ASP 87 Ca 0.00 -2.43 -0.10 0.00 -0.53 0.00 0.00 54.79 51.74 1wgq n ASP 87 Cb 0.00 -0.43 -0.08 0.00 -0.64 0.00 0.00 41.12 39.96 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 0.04 -0.03 -1.09 2.24 0.00 -1.89 -3.01 119.26 115.52 1wgq h ALA 88 Ca -0.27 -0.31 0.32 0.00 0.00 0.00 0.00 54.91 54.65 1wgq h ALA 88 Cb 1.19 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1wgq h ALA 88 CO 0.37 -0.05 0.67 1.25 0.00 0.00 0.00 179.25 181.49 1wgq h HIS 89 N -0.96 0.75 0.33 0.00 6.17 -1.97 0.26 115.15 119.73 1wgq h HIS 89 Ca -0.00 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.09 1wgq h HIS 89 Cb 0.63 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.36 1wgq h HIS 89 CO 0.17 -0.08 -0.16 0.77 0.71 0.00 0.00 177.93 179.34 1wgq h SER 90 N 0.32 -0.37 -0.92 3.26 0.02 -1.97 -2.76 113.55 111.12 1wgq h SER 90 Ca 0.70 -0.11 0.17 0.00 -0.84 0.00 0.00 61.79 61.70 1wgq h SER 90 Cb 1.79 0.10 -0.17 0.00 0.14 0.00 0.00 62.40 64.25 1wgq h SER 90 CO -0.44 -0.09 -0.29 0.74 -1.14 0.00 0.00 176.83 175.60 1wgq h THR 91 N -0.65 0.06 -0.57 -2.27 2.02 -0.35 0.83 112.91 111.98 1wgq h THR 91 Ca -0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1wgq h THR 91 Cb 0.46 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 66.86 1wgq h THR 91 CO 0.07 0.00 0.21 1.56 0.37 0.00 0.00 175.52 177.73 1wgq h GLN 92 N -0.01 0.38 -0.70 6.66 1.08 -1.34 1.09 115.11 122.26 1wgq h GLN 92 Ca 0.40 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.64 1wgq h GLN 92 Cb 0.64 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.93 1wgq h GLN 92 CO -0.95 0.25 0.39 0.00 -0.95 0.00 0.00 178.83 177.58 1wgq h ARG 93 N 0.39 0.70 -0.01 1.46 3.08 0.88 0.54 114.38 121.41 1wgq h ARG 93 Ca 0.28 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 1wgq h ARG 93 Cb 0.33 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1wgq h ARG 93 CO -0.28 0.46 -0.02 -1.49 -1.07 0.00 0.00 179.97 177.57 1wgq h TRP 94 N 0.72 0.04 0.01 3.04 4.06 0.40 0.10 115.95 124.32 1wgq h TRP 94 Ca 0.32 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.26 1wgq h TRP 94 Cb 0.21 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 1wgq h TRP 94 CO -0.07 0.53 -0.06 0.82 -3.56 0.00 0.00 178.44 176.09 1wgq h ILE 95 N -0.45 0.00 -0.92 1.49 2.04 0.18 0.83 117.51 120.68 1wgq h ILE 95 Ca 0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.05 1wgq h ILE 95 Cb 0.52 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.49 1wgq h ILE 95 CO 0.00 0.00 0.49 -0.78 0.00 0.00 0.00 178.15 177.86 1wgq h ASP 96 N -0.09 0.57 -0.79 1.72 1.82 -0.04 1.31 116.42 120.92 1wgq h ASP 96 Ca -0.00 0.11 0.08 0.00 -0.39 0.00 0.00 57.03 56.83 1wgq h ASP 96 Cb 0.09 0.02 -0.07 0.00 0.68 0.00 0.00 39.33 40.06 1wgq h ASP 96 CO -0.04 0.18 0.46 0.00 -1.61 0.00 0.00 179.24 178.23 1wgq h ALA 97 N 1.63 1.10 0.11 -0.78 0.00 0.23 0.90 119.26 122.46 1wgq h ALA 97 Ca 0.53 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 55.17 1wgq h ALA 97 Cb 0.87 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.53 1wgq h ALA 97 CO -0.42 0.13 -1.23 0.74 0.00 0.00 0.00 179.25 178.47 1wgq h PHE 98 N 0.80 0.97 -0.17 0.00 0.04 0.53 -2.89 116.94 116.23 1wgq h PHE 98 Ca 0.37 -0.61 -0.01 0.00 2.80 0.00 0.00 57.97 60.52 1wgq h PHE 98 Cb 0.27 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1wgq h PHE 98 CO -0.06 1.45 0.08 1.96 -0.60 0.00 0.00 178.31 181.14 1wgq h GLN 99 N 0.27 0.24 0.00 1.51 1.08 0.21 -1.02 115.11 117.40 1wgq h GLN 99 Ca -0.18 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1wgq h GLN 99 Cb 1.91 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.29 1wgq h GLN 99 CO 0.23 0.28 0.00 0.39 -0.95 0.00 0.00 178.83 178.78 1wgq n GLU 100 N -4.89 0.02 0.06 1.46 1.02 0.31 -1.97 120.64 116.64 1wgq n GLU 100 Ca -0.04 0.26 -0.22 0.00 -0.02 0.00 0.00 57.16 57.13 1wgq n GLU 100 Cb 0.09 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.87 1wgq n GLU 100 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wgq h GLY 101 N 2.27 0.41 1.76 0.62 0.00 -0.99 -3.35 103.07 103.79 1wgq h GLY 101 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 47.33 46.10 1wgq h GLY 101 CO 0.00 0.92 -0.76 -0.91 0.00 0.00 0.00 176.54 175.79 1wgq h THR 102 N -0.07 1.44 -2.48 4.70 1.35 -0.99 -3.46 112.91 113.40 1wgq h THR 102 Ca -0.30 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1wgq h THR 102 Cb 1.95 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 70.63 1wgq h THR 102 CO 0.15 0.68 0.00 1.33 -0.25 0.00 0.00 175.52 177.43 1wgq n VAL 103 N -3.76 0.00 -0.82 6.82 0.24 -0.83 -4.64 118.33 115.34 1wgq n VAL 103 Ca -0.03 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.28 1wgq n VAL 103 Cb 0.73 -1.48 0.01 0.00 -1.47 0.00 0.00 33.84 31.62 1wgq n VAL 103 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1wgq n SER 104 N -1.36 0.83 0.00 -1.34 2.88 -1.26 -4.91 113.62 108.46 1wgq n SER 104 Ca 0.00 -1.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.92 1wgq n SER 104 Cb 0.00 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.28 2.43 0.14 0.46 0.00 -1.26 -4.93 105.19 101.75 1wgq n GLY 105 Ca 0.01 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.23 -7.14 1.61 0.13 -1.99 -3.46 132.00 120.92 1wgq h PRO 106 Ca 0.00 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.60 1wgq h PRO 106 Cb 0.00 0.05 0.15 0.00 0.13 0.00 0.00 31.00 31.34 1wgq h PRO 106 CO 0.00 0.06 0.46 -1.12 -0.23 0.00 0.00 178.00 177.17 1wgq s SER 107 N -5.39 4.46 -0.67 1.44 0.01 -1.26 -4.96 113.70 107.33 1wgq s SER 107 Ca -0.09 2.49 -0.11 0.00 1.31 0.00 0.00 55.95 59.54 1wgq s SER 107 Cb 0.00 -2.60 0.17 0.00 0.21 0.00 0.00 66.02 63.80 1wgq s SER 107 CO 0.30 -2.09 0.58 -0.55 0.41 0.00 0.00 173.24 171.90 1wgq s SER 108 N -1.69 6.19 0.00 2.44 0.15 -1.26 -5.09 113.70 114.45 1wgq s SER 108 Ca 0.78 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 55.02 1wgq s SER 108 Cb -0.33 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1wgq s SER 108 CO 0.41 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.85