#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwq s TRP 2 N 0.00 -0.69 0.35 -1.84 -0.00 -1.26 -5.03 118.94 110.47 3dwq s TRP 2 Ca 0.00 1.67 0.15 0.00 -0.00 0.00 0.00 56.10 57.92 3dwq s TRP 2 Cb 0.00 0.25 1.09 0.00 -0.00 0.00 0.00 33.47 34.81 3dwq s TRP 2 CO 0.00 -0.33 1.68 1.15 -0.00 0.00 0.00 176.95 179.44 3dwq h THR 3 N 4.21 0.33 -0.36 5.86 2.02 -1.99 -0.68 112.91 122.30 3dwq h THR 3 Ca -0.28 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3dwq h THR 3 Cb 1.17 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3dwq h THR 3 CO 0.12 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.68 3dwq n GLY 4 N -1.32 2.40 3.75 2.16 0.00 -1.26 -4.62 105.19 106.29 3dwq n GLY 4 Ca 0.31 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3dwq n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwq s ASP 5 N -0.49 5.22 -1.08 1.61 1.01 -0.26 -4.72 116.67 117.95 3dwq s ASP 5 Ca 0.34 2.74 -0.19 0.00 0.71 0.00 0.00 52.55 56.15 3dwq s ASP 5 Cb 0.26 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.49 3dwq s ASP 5 CO 0.10 -1.60 2.05 0.00 0.21 0.00 0.00 175.17 175.93 3dwq n ALA 6 N -1.10 4.20 -2.42 5.23 0.00 -1.26 -3.96 120.51 121.19 3dwq n ALA 6 Ca 0.11 -3.56 -0.11 0.00 0.00 0.00 0.00 53.44 49.88 3dwq n ALA 6 Cb 0.45 -3.59 -0.09 0.00 0.00 0.00 0.00 19.45 16.22 3dwq n ALA 6 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dwq s ARG 7 N 4.28 1.25 0.16 0.00 0.52 -1.17 -4.32 118.95 119.68 3dwq s ARG 7 Ca 0.53 -1.52 -0.31 0.00 -0.52 0.00 0.00 55.73 53.92 3dwq s ARG 7 Cb 0.13 0.31 -0.09 0.00 0.52 0.00 0.00 34.95 35.83 3dwq s ARG 7 CO 0.03 -0.44 1.43 -0.51 0.02 0.00 0.00 175.30 175.84 3dwq s ASP 8 N -3.11 6.74 0.07 0.23 1.01 -1.26 -1.47 116.67 118.88 3dwq s ASP 8 Ca 0.34 2.47 -0.13 0.00 0.71 0.00 0.00 52.55 55.93 3dwq s ASP 8 Cb 0.05 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.43 3dwq s ASP 8 CO 0.10 -0.69 0.61 0.61 0.21 0.00 0.00 175.17 176.01 3dwq n GLY 9 N 3.22 0.78 3.07 0.21 0.00 0.11 -4.36 105.19 108.22 3dwq n GLY 9 Ca 0.11 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 3dwq n GLY 9 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dwq s MET 10 N -2.02 0.39 -0.16 1.61 0.23 -1.13 -1.49 119.30 116.73 3dwq s MET 10 Ca 0.14 -0.30 0.02 0.00 -1.03 0.00 0.00 55.69 54.52 3dwq s MET 10 Cb -0.01 0.16 0.01 0.00 -1.53 0.00 0.00 34.83 33.46 3dwq s MET 10 CO 0.02 -0.08 -0.21 -0.06 -2.03 0.00 0.00 175.02 172.66 3dwq s PHE 11 N -1.07 2.72 0.13 3.16 2.99 -0.24 -4.99 117.98 120.68 3dwq s PHE 11 Ca -0.12 -1.45 0.03 0.00 0.00 0.00 0.00 56.93 55.40 3dwq s PHE 11 Cb -0.06 -1.86 -0.04 0.00 0.00 0.00 0.00 43.02 41.05 3dwq s PHE 11 CO 0.01 -0.69 0.18 -1.12 -0.00 0.00 0.00 175.22 173.60 3dwq s SER 12 N 1.01 5.86 -0.89 1.36 0.01 -1.26 -0.60 113.70 119.20 3dwq s SER 12 Ca -0.02 0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 3dwq s SER 12 Cb -0.14 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.44 3dwq s SER 12 CO -0.06 0.09 0.58 0.61 0.41 0.00 0.00 173.24 174.87 3dwq n GLY 13 N -0.20 -0.00 3.71 3.44 0.00 -0.87 -4.77 105.19 106.49 3dwq n GLY 13 Ca -0.08 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3dwq n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwq s VAL 14 N -3.08 5.31 -0.23 1.61 1.01 0.16 -4.37 120.40 120.81 3dwq s VAL 14 Ca 0.29 0.46 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 3dwq s VAL 14 Cb -0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3dwq s VAL 14 CO 0.35 0.36 0.51 -0.69 0.00 0.00 0.00 175.10 175.63 3dwq s VAL 15 N 0.71 5.09 -0.38 2.92 1.01 -1.08 0.48 120.40 129.15 3dwq s VAL 15 Ca 0.14 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 3dwq s VAL 15 Cb -0.13 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3dwq s VAL 15 CO 0.04 0.13 1.52 -0.63 0.00 0.00 0.00 175.10 176.16 3dwq s ILE 16 N 1.98 3.79 -0.06 2.22 1.01 -1.26 -2.16 121.20 126.72 3dwq s ILE 16 Ca 0.22 0.81 0.15 0.00 0.00 0.00 0.00 60.65 61.83 3dwq s ILE 16 Cb -0.15 -4.04 -0.22 0.00 0.01 0.00 0.00 42.46 38.06 3dwq s ILE 16 CO 0.09 -0.64 0.25 0.35 0.00 0.00 0.00 174.94 174.99 3dwq n THR 17 N 7.11 0.31 -4.18 2.92 -2.24 0.34 -4.60 114.28 113.94 3dwq n THR 17 Ca 0.18 -0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 3dwq n THR 17 Cb 0.47 -0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.48 3dwq n THR 17 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dwq s GLN 18 N -2.84 0.62 -0.03 -0.78 -0.21 -1.02 -4.99 119.66 110.40 3dwq s GLN 18 Ca -0.06 -0.58 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 3dwq s GLN 18 Cb 0.08 -0.52 0.03 0.00 1.00 0.00 0.00 33.01 33.60 3dwq s GLN 18 CO 0.62 0.12 0.05 0.12 -2.12 0.00 0.00 175.29 174.09 3dwq s PHE 19 N -0.84 -0.01 -0.01 0.91 5.36 -1.26 -1.71 117.98 120.43 3dwq s PHE 19 Ca -0.03 0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 3dwq s PHE 19 Cb -0.07 -0.21 0.01 0.00 -0.34 0.00 0.00 43.02 42.41 3dwq s PHE 19 CO 0.00 -0.10 -0.01 -1.58 -1.46 0.00 0.00 175.22 172.07 3dwq s HIS 20 N 1.07 0.23 0.05 10.12 5.65 -0.54 -5.01 115.29 126.86 3dwq s HIS 20 Ca -0.09 -0.02 0.07 0.00 0.25 0.00 0.00 55.06 55.28 3dwq s HIS 20 Cb -0.12 -0.23 -0.03 0.00 -1.18 0.00 0.00 32.58 31.02 3dwq s HIS 20 CO -0.03 -0.05 -0.20 0.95 -0.65 0.00 0.00 174.74 174.76 3dwq s THR 21 N 0.36 1.59 0.00 0.89 -4.23 -1.26 0.03 115.64 113.01 3dwq s THR 21 Ca -0.03 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 3dwq s THR 21 Cb -0.06 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.38 3dwq s THR 21 CO -0.01 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 3dwq n GLY 22 N 1.70 3.06 2.94 3.99 0.00 -0.31 -5.00 105.19 111.57 3dwq n GLY 22 Ca -0.18 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 3dwq n GLY 22 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dwq s GLN 23 N 0.64 0.22 -0.14 1.61 0.74 -1.26 -1.33 119.66 120.14 3dwq s GLN 23 Ca 0.00 -0.28 -0.10 0.00 0.05 0.00 0.00 55.36 55.03 3dwq s GLN 23 Cb 0.00 -0.08 0.04 0.00 1.10 0.00 0.00 33.01 34.07 3dwq s GLN 23 CO 0.00 0.01 0.36 -1.50 -0.55 0.00 0.00 175.29 173.62 3dwq s ILE 24 N -0.55 -0.01 -1.42 -2.34 2.07 -0.48 -4.95 121.20 113.52 3dwq s ILE 24 Ca -0.05 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 3dwq s ILE 24 Cb -0.04 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.03 3dwq s ILE 24 CO -0.00 0.02 0.45 0.47 -1.91 0.00 0.00 174.94 173.97 3dwq n ASP 25 N 3.55 -0.53 -1.21 4.50 8.00 -1.26 -1.50 116.55 128.11 3dwq n ASP 25 Ca -0.18 -0.99 -0.16 0.00 0.71 0.00 0.00 54.79 54.16 3dwq n ASP 25 Cb 0.56 -3.11 -0.07 0.00 -0.02 0.00 0.00 41.12 38.49 3dwq n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3dwq n ASN 26 N -2.98 -4.94 -3.95 -2.24 5.15 -1.26 -4.98 115.26 100.06 3dwq n ASN 26 Ca -0.29 0.39 -0.27 0.00 -0.60 0.00 0.00 54.58 53.81 3dwq n ASN 26 Cb 0.68 -3.83 -0.17 0.00 -0.53 0.00 0.00 39.78 35.93 3dwq n ASN 26 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dwq s LYS 27 N -3.33 1.68 0.49 1.20 -0.14 -0.56 -5.12 119.74 113.97 3dwq s LYS 27 Ca 0.00 -0.34 -0.23 0.00 -1.36 0.00 0.00 55.97 54.04 3dwq s LYS 27 Cb 0.00 -1.61 -0.07 0.00 -1.68 0.00 0.00 37.83 34.47 3dwq s LYS 27 CO 0.00 -0.18 1.31 -1.25 -0.76 0.00 0.00 175.35 174.47 3dwq s PRO 28 N 1.40 3.50 0.11 -1.68 0.04 -1.26 -1.39 135.00 135.71 3dwq s PRO 28 Ca -0.00 2.13 -0.03 0.00 0.04 0.00 0.00 61.00 63.14 3dwq s PRO 28 Cb -0.13 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 3dwq s PRO 28 CO -0.05 -0.87 0.07 1.52 0.04 0.00 0.00 177.00 177.70 3dwq s TYR 29 N -1.34 0.64 0.03 0.56 -0.85 -0.44 -1.41 117.35 114.54 3dwq s TYR 29 Ca 0.66 -1.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 3dwq s TYR 29 Cb -0.38 -0.36 -0.02 0.00 0.38 0.00 0.00 41.96 41.58 3dwq s TYR 29 CO 0.46 -0.50 -0.05 -0.59 -1.52 0.00 0.00 175.55 173.35 3dwq s PHE 30 N -3.98 0.44 0.04 -3.49 -0.12 -0.42 -1.16 117.98 109.29 3dwq s PHE 30 Ca 0.16 -0.61 0.06 0.00 -0.05 0.00 0.00 56.93 56.49 3dwq s PHE 30 Cb 0.07 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.14 3dwq s PHE 30 CO -0.03 -0.18 -0.16 0.00 -0.05 0.00 0.00 175.22 174.79 3dwq s ILE 32 N -0.86 2.23 -0.04 0.00 -4.36 -0.42 -1.47 121.20 116.28 3dwq s ILE 32 Ca 0.04 -2.19 0.03 0.00 -0.26 0.00 0.00 60.65 58.27 3dwq s ILE 32 Cb -0.08 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.49 3dwq s ILE 32 CO 0.02 -0.33 -0.13 -0.70 0.24 0.00 0.00 174.94 174.04 3dwq s GLU 33 N -3.16 1.38 0.01 0.37 -6.30 -0.69 -2.17 118.70 108.14 3dwq s GLU 33 Ca 0.24 -0.44 0.04 0.00 -2.50 0.00 0.00 54.97 52.30 3dwq s GLU 33 Cb -0.05 -1.22 -0.01 0.00 0.00 0.00 0.00 34.13 32.84 3dwq s GLU 33 CO 0.11 0.16 -0.11 0.20 0.02 0.00 0.00 175.26 175.64 3dwq s GLY 34 N 0.17 0.58 -0.08 -1.50 0.00 -0.11 -0.51 107.32 105.86 3dwq s GLY 34 Ca -0.04 -0.58 0.05 0.00 0.00 0.00 0.00 44.72 44.14 3dwq s GLY 34 CO 0.01 -0.54 -0.24 0.54 0.00 0.00 0.00 173.10 172.88 3dwq s LYS 35 N -0.64 2.82 0.68 2.90 1.02 -0.92 -1.15 119.74 124.45 3dwq s LYS 35 Ca 0.02 -0.87 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 3dwq s LYS 35 Cb -0.06 -2.22 -0.00 0.00 -0.52 0.00 0.00 37.83 35.03 3dwq s LYS 35 CO 0.00 0.25 1.05 -0.65 -0.92 0.00 0.00 175.35 175.08 3dwq s GLN 36 N 0.17 3.09 0.56 1.68 -0.21 0.09 -2.64 119.66 122.40 3dwq s GLN 36 Ca -0.13 0.87 0.25 0.00 0.02 0.00 0.00 55.36 56.37 3dwq s GLN 36 Cb -0.16 -2.01 1.62 0.00 1.00 0.00 0.00 33.01 33.45 3dwq s GLN 36 CO 0.07 -0.97 2.21 0.66 -2.12 0.00 0.00 175.29 175.13 3dwq h SER 37 N -0.62 0.00 0.17 5.90 4.64 -1.90 -0.92 113.55 120.83 3dwq h SER 37 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3dwq h SER 37 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3dwq h SER 37 CO 0.59 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.56 3dwq n ALA 38 N -2.38 2.58 0.00 5.18 0.00 -1.26 -4.91 120.51 119.72 3dwq n ALA 38 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3dwq n ALA 38 Cb 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3dwq n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwq n GLY 39 N 1.01 0.74 3.75 0.00 0.00 -0.35 -5.06 105.19 105.28 3dwq n GLY 39 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3dwq n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dwq s SER 40 N -1.88 6.60 -0.00 1.61 0.01 -1.26 -4.76 113.70 114.02 3dwq s SER 40 Ca 0.00 2.73 0.05 0.00 1.31 0.00 0.00 55.95 60.05 3dwq s SER 40 Cb 0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 3dwq s SER 40 CO 0.00 -0.73 -0.16 -0.55 0.41 0.00 0.00 173.24 172.21 3dwq s SER 41 N 0.30 3.94 -0.03 2.44 0.15 -1.26 -0.73 113.70 118.50 3dwq s SER 41 Ca 0.59 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.94 3dwq s SER 41 Cb -0.43 -0.74 0.02 0.00 -1.71 0.00 0.00 66.02 63.16 3dwq s SER 41 CO 0.46 0.30 -0.02 -0.51 1.20 0.00 0.00 173.24 174.66 3dwq s ILE 42 N -0.84 0.29 -0.01 6.45 1.10 -0.30 -5.01 121.20 122.89 3dwq s ILE 42 Ca 0.13 -0.01 0.05 0.00 -0.51 0.00 0.00 60.65 60.32 3dwq s ILE 42 Cb -0.11 -0.35 -0.03 0.00 0.15 0.00 0.00 42.46 42.13 3dwq s ILE 42 CO 0.03 0.16 -0.17 -0.44 -2.11 0.00 0.00 174.94 172.42 3dwq s SER 43 N 0.84 3.86 -0.18 4.50 0.01 -1.26 -0.94 113.70 120.53 3dwq s SER 43 Ca -0.09 -0.31 -0.13 0.00 1.31 0.00 0.00 55.95 56.73 3dwq s SER 43 Cb -0.12 -0.71 0.06 0.00 0.21 0.00 0.00 66.02 65.45 3dwq s SER 43 CO -0.01 0.30 0.46 0.00 0.41 0.00 0.00 173.24 174.41 3dwq s ALA 44 N -0.81 -1.17 0.12 1.44 0.00 -0.92 -4.60 121.76 115.81 3dwq s ALA 44 Ca 0.13 1.53 0.09 0.00 0.00 0.00 0.00 51.96 53.70 3dwq s ALA 44 Cb -0.11 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 3dwq s ALA 44 CO 0.03 -0.26 -0.17 0.00 0.00 0.00 0.00 175.76 175.36 3dwq s SER 46 N -2.16 1.79 -0.03 0.00 0.15 0.41 -0.29 113.70 113.56 3dwq s SER 46 Ca 0.18 -0.28 0.07 0.00 0.70 0.00 0.00 55.95 56.62 3dwq s SER 46 Cb -0.11 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.79 3dwq s SER 46 CO 0.11 0.14 -0.25 -0.32 1.20 0.00 0.00 173.24 174.11 3dwq s MET 47 N -0.04 2.12 -0.06 5.44 1.75 -1.26 -1.30 119.30 125.95 3dwq s MET 47 Ca -0.01 -0.90 -0.30 0.00 -1.25 0.00 0.00 55.69 53.24 3dwq s MET 47 Cb -0.09 -2.00 -0.03 0.00 2.84 0.00 0.00 34.83 35.55 3dwq s MET 47 CO 0.01 0.51 1.20 0.21 -0.65 0.00 0.00 175.02 176.31 3dwq s LYS 48 N -0.51 4.35 -1.45 4.11 2.20 -0.50 -3.27 119.74 124.66 3dwq s LYS 48 Ca 0.07 1.68 -0.09 0.00 -0.36 0.00 0.00 55.97 57.27 3dwq s LYS 48 Cb -0.10 -3.56 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3dwq s LYS 48 CO -0.00 -0.46 0.92 0.09 -0.36 0.00 0.00 175.35 175.55 3dwq n ASN 49 N 5.25 -5.74 0.00 1.43 5.03 -1.22 -4.72 115.26 115.29 3dwq n ASN 49 Ca 0.11 -0.52 0.00 0.00 0.87 0.00 0.00 54.58 55.05 3dwq n ASN 49 Cb 0.46 -4.57 0.00 0.00 -1.02 0.00 0.00 39.78 34.65 3dwq n ASN 49 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3dwq n SER 50 N -2.78 0.00 0.00 6.41 3.41 -1.20 -4.93 113.62 114.53 3dwq n SER 50 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3dwq n SER 50 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3dwq n SER 50 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3dwq n SER 51 N 0.00 0.00 -0.04 4.04 2.88 -1.26 -4.65 113.62 114.59 3dwq n SER 51 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3dwq n SER 51 Cb 0.00 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 3dwq n SER 51 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3dwq h VAL 52 N 0.00 1.25 -0.60 2.46 2.07 -2.00 -3.23 116.25 116.21 3dwq h VAL 52 Ca 0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3dwq h VAL 52 Cb 0.00 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3dwq h VAL 52 CO 0.00 0.38 0.00 0.79 0.02 0.00 0.00 177.57 178.76 3dwq n TRP 53 N -4.17 1.43 0.17 1.57 7.02 -1.26 -4.52 117.44 117.68 3dwq n TRP 53 Ca 0.01 -0.56 0.01 0.00 -1.02 0.00 0.00 57.50 55.94 3dwq n TRP 53 Cb 0.36 -0.25 0.31 0.00 -2.42 0.00 0.00 31.31 29.31 3dwq n TRP 53 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3dwq h GLY 54 N 4.31 0.00 2.00 6.99 0.00 -1.74 -3.06 103.07 111.57 3dwq h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dwq h GLY 54 CO 0.23 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.77 3dwq h ALA 55 N 1.56 1.00 -0.00 3.60 0.00 -1.86 -2.71 119.26 120.85 3dwq h ALA 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dwq h ALA 55 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3dwq h ALA 55 CO 0.06 0.00 -0.62 0.43 0.00 0.00 0.00 179.25 179.12 3dwq n SER 56 N -3.04 0.79 -0.26 0.00 7.64 -1.16 -4.61 113.62 112.98 3dwq n SER 56 Ca -0.02 -0.62 -0.03 0.00 1.01 0.00 0.00 58.87 59.21 3dwq n SER 56 Cb 0.14 0.47 0.03 0.00 -1.01 0.00 0.00 64.21 63.84 3dwq n SER 56 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3dwq h PHE 57 N 0.27 -0.88 -0.21 1.43 3.57 -1.63 0.46 116.94 119.94 3dwq h PHE 57 Ca 0.00 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3dwq h PHE 57 Cb 0.52 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3dwq h PHE 57 CO 0.00 -0.38 0.11 1.03 -2.23 0.00 0.00 178.31 176.84 3dwq h SER 58 N -0.10 0.27 -0.50 0.41 0.87 -1.84 -0.09 113.55 112.56 3dwq h SER 58 Ca 0.28 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 3dwq h SER 58 Cb 0.57 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 3dwq h SER 58 CO -0.77 0.28 0.12 0.74 -0.53 0.00 0.00 176.83 176.67 3dwq h THR 59 N 0.23 1.24 -0.35 2.23 2.02 -1.71 -2.46 112.91 114.11 3dwq h THR 59 Ca 0.07 -0.85 -0.14 0.00 0.77 0.00 0.00 66.41 66.26 3dwq h THR 59 Cb 0.08 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3dwq h THR 59 CO -0.01 0.31 -0.34 -0.07 0.37 0.00 0.00 175.52 175.78 3dwq h LEU 60 N 0.70 0.84 -0.10 2.58 3.38 -0.74 -1.16 115.31 120.81 3dwq h LEU 60 Ca 0.16 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3dwq h LEU 60 Cb 0.33 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3dwq h LEU 60 CO 0.00 1.10 0.04 0.22 0.09 0.00 0.00 178.44 179.90 3dwq h TYR 61 N 0.67 0.14 0.12 1.13 3.20 -0.99 0.18 116.97 121.42 3dwq h TYR 61 Ca 0.07 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3dwq h TYR 61 Cb 0.89 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 3dwq h TYR 61 CO 0.05 0.22 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.67 3dwq h ASN 62 N 0.02 -0.59 -0.29 -2.11 2.35 -1.38 -1.41 115.58 112.18 3dwq h ASN 62 Ca 0.03 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3dwq h ASN 62 Cb 0.13 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3dwq h ASN 62 CO -0.00 -0.30 0.18 1.56 -1.65 0.00 0.00 177.43 177.22 3dwq h GLN 63 N -0.40 0.39 -0.49 0.81 1.08 -1.13 -1.34 115.11 114.02 3dwq h GLN 63 Ca 0.02 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3dwq h GLN 63 Cb 0.42 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 3dwq h GLN 63 CO -0.11 0.29 0.29 0.00 -0.95 0.00 0.00 178.83 178.35 3dwq h ALA 64 N 1.08 0.62 -0.47 3.87 0.00 -0.58 0.76 119.26 124.55 3dwq h ALA 64 Ca 0.10 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3dwq h ALA 64 Cb -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3dwq h ALA 64 CO -0.02 0.12 -0.12 1.25 0.00 0.00 0.00 179.25 180.48 3dwq h LEU 65 N 0.65 0.86 -0.18 0.00 5.85 -1.21 0.12 115.31 121.40 3dwq h LEU 65 Ca 0.17 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3dwq h LEU 65 Cb 0.01 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3dwq h LEU 65 CO -0.03 1.00 0.01 0.22 -0.34 0.00 0.00 178.44 179.29 3dwq h TYR 66 N 0.77 0.01 -0.04 1.25 3.20 -0.83 -1.72 116.97 119.62 3dwq h TYR 66 Ca 0.12 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 3dwq h TYR 66 Cb 0.64 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3dwq h TYR 66 CO 0.04 -0.01 -0.48 0.74 -1.64 0.00 0.00 178.16 176.81 3dwq h PHE 67 N 0.07 0.11 -0.48 -3.82 0.04 -0.59 -1.94 116.94 110.34 3dwq h PHE 67 Ca 0.08 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 3dwq h PHE 67 Cb 0.10 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3dwq h PHE 67 CO -0.16 0.56 0.10 -0.92 -0.60 0.00 0.00 178.31 177.29 3dwq h TYR 68 N 0.08 0.74 -0.07 -0.55 3.20 -0.64 -1.85 116.97 117.87 3dwq h TYR 68 Ca 0.00 -0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.66 3dwq h TYR 68 Cb 0.88 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.93 3dwq h TYR 68 CO 0.01 0.64 -0.51 1.15 -1.64 0.00 0.00 178.16 177.80 3dwq h THR 69 N 0.70 1.38 -0.01 1.81 2.02 -0.68 -3.30 112.91 114.84 3dwq h THR 69 Ca 0.16 -1.88 -0.19 0.00 0.77 0.00 0.00 66.41 65.26 3dwq h THR 69 Cb 0.28 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 3dwq h THR 69 CO -0.00 0.56 -0.85 0.71 0.37 0.00 0.00 175.52 176.31 3dwq h THR 70 N 0.04 1.47 -0.02 3.16 1.35 -1.42 -3.48 112.91 114.02 3dwq h THR 70 Ca -0.04 -2.52 -0.01 0.00 -0.55 0.00 0.00 66.41 63.29 3dwq h THR 70 Cb 1.17 2.40 -0.00 0.00 -1.73 0.00 0.00 68.15 69.99 3dwq h THR 70 CO 0.11 0.74 -0.01 0.61 -0.25 0.00 0.00 175.52 176.71 3dwq n GLY 71 N 0.81 0.47 3.78 5.82 0.00 -0.70 -5.03 105.19 110.34 3dwq n GLY 71 Ca -0.04 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 3dwq n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dwq s GLN 72 N -0.78 3.94 0.02 1.61 -2.07 -1.25 -4.84 119.66 116.29 3dwq s GLN 72 Ca 0.00 1.67 -0.30 0.00 -1.82 0.00 0.00 55.36 54.91 3dwq s GLN 72 Cb 0.00 -2.48 -0.06 0.00 -1.09 0.00 0.00 33.01 29.38 3dwq s GLN 72 CO 0.00 -0.38 1.47 -1.25 -1.32 0.00 0.00 175.29 173.81 3dwq s PRO 73 N -2.60 4.26 0.38 9.60 0.04 -1.26 -4.54 135.00 140.88 3dwq s PRO 73 Ca 0.61 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.75 3dwq s PRO 73 Cb -0.26 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 3dwq s PRO 73 CO 0.32 -0.61 0.11 0.14 0.04 0.00 0.00 177.00 177.00 3dwq s VAL 74 N 2.40 0.71 -0.20 -0.36 -7.23 0.18 -3.32 120.40 112.59 3dwq s VAL 74 Ca 0.67 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.77 3dwq s VAL 74 Cb -0.34 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3dwq s VAL 74 CO 0.28 0.00 0.05 -0.60 -0.31 0.00 0.00 175.10 174.53 3dwq s ARG 75 N -3.77 3.85 -0.31 4.82 3.52 0.44 0.40 118.95 127.90 3dwq s ARG 75 Ca 0.28 -0.40 -0.14 0.00 -0.13 0.00 0.00 55.73 55.34 3dwq s ARG 75 Cb 0.04 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 3dwq s ARG 75 CO 0.15 0.14 0.30 0.42 -0.81 0.00 0.00 175.30 175.50 3dwq s ILE 76 N 0.72 5.23 -0.12 4.11 -1.09 0.23 -2.49 121.20 127.79 3dwq s ILE 76 Ca 0.03 0.18 -0.14 0.00 -2.23 0.00 0.00 60.65 58.49 3dwq s ILE 76 Cb -0.13 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 3dwq s ILE 76 CO 0.02 0.08 0.33 -0.31 -1.23 0.00 0.00 174.94 173.82 3dwq s TYR 77 N 1.92 3.54 0.03 3.97 2.02 -0.83 -1.08 117.35 126.92 3dwq s TYR 77 Ca 0.10 0.71 -0.05 0.00 -0.37 0.00 0.00 57.07 57.46 3dwq s TYR 77 Cb -0.16 -2.32 -0.01 0.00 -0.40 0.00 0.00 41.96 39.07 3dwq s TYR 77 CO 0.11 0.36 0.08 1.52 -1.57 0.00 0.00 175.55 176.05 3dwq s TYR 78 N 0.02 0.20 -0.22 2.71 -0.85 -0.56 -1.13 117.35 117.51 3dwq s TYR 78 Ca 0.19 -0.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.28 3dwq s TYR 78 Cb -0.14 -0.14 0.04 0.00 0.38 0.00 0.00 41.96 42.09 3dwq s TYR 78 CO 0.07 -0.33 -0.14 -2.00 -1.52 0.00 0.00 175.55 171.62 3dwq s GLU 79 N -2.34 2.67 0.68 -3.49 2.12 -0.41 0.06 118.70 117.99 3dwq s GLU 79 Ca -0.07 -1.06 -0.13 0.00 0.36 0.00 0.00 54.97 54.07 3dwq s GLU 79 Cb -0.03 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.61 3dwq s GLU 79 CO -0.03 -0.38 1.08 -1.25 -0.54 0.00 0.00 175.26 174.14 3dwq s PRO 80 N 1.22 2.81 -0.76 4.30 0.04 -1.26 -1.49 135.00 139.86 3dwq s PRO 80 Ca -0.01 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3dwq s PRO 80 Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3dwq s PRO 80 CO -0.09 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.15 3dwq n GLY 81 N -1.13 0.59 0.09 0.56 0.00 -1.22 -4.91 105.19 99.17 3dwq n GLY 81 Ca 0.09 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 3dwq n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dwq h VAL 82 N 0.00 0.97 -3.41 1.61 2.07 -1.43 -3.46 116.25 112.60 3dwq h VAL 82 Ca -0.17 -2.06 -0.55 0.00 0.82 0.00 0.00 66.70 64.74 3dwq h VAL 82 Cb 0.77 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 3dwq h VAL 82 CO 0.23 0.33 0.21 0.26 0.02 0.00 0.00 177.57 178.61 3dwq s TRP 83 N -2.30 3.66 0.00 1.57 0.23 -0.78 -4.96 118.94 116.37 3dwq s TRP 83 Ca -0.25 1.48 0.00 0.00 -2.03 0.00 0.00 56.10 55.30 3dwq s TRP 83 Cb 0.04 -2.92 0.00 0.00 0.03 0.00 0.00 33.47 30.62 3dwq s TRP 83 CO 0.56 0.12 0.00 0.25 0.96 0.00 0.00 176.95 178.83 3dwq n THR 84 N 3.49 0.00 -1.79 2.01 -2.24 -1.26 -4.56 114.28 109.94 3dwq n THR 84 Ca 0.01 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 3dwq n THR 84 Cb 0.51 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 3dwq n THR 84 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dwq s TYR 85 N -1.23 1.47 0.20 4.78 5.04 -1.26 -4.89 117.35 121.45 3dwq s TYR 85 Ca 0.00 0.52 -0.13 0.00 -2.44 0.00 0.00 57.07 55.02 3dwq s TYR 85 Cb 0.00 -4.02 0.22 0.00 0.35 0.00 0.00 41.96 38.51 3dwq s TYR 85 CO 0.00 -3.68 1.68 -1.35 -1.34 0.00 0.00 175.55 170.86 3dwq h PRO 86 N 13.75 0.12 -0.13 4.97 0.11 -1.99 -0.41 132.00 148.42 3dwq h PRO 86 Ca -0.38 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3dwq h PRO 86 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dwq h PRO 86 CO 0.99 0.08 -0.02 -1.35 -0.21 0.00 0.00 178.00 177.48 3dwq h PRO 87 N 0.12 0.18 0.16 1.05 0.11 -1.99 -0.10 132.00 131.54 3dwq h PRO 87 Ca 0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 3dwq h PRO 87 Cb 0.42 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3dwq h PRO 87 CO -0.45 0.23 -0.08 0.35 -0.21 0.00 0.00 178.00 177.84 3dwq h PHE 88 N 0.18 -0.20 -0.57 0.65 3.57 -1.51 -2.08 116.94 116.98 3dwq h PHE 88 Ca 0.04 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3dwq h PHE 88 Cb 0.17 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 3dwq h PHE 88 CO 0.00 0.08 0.30 0.28 -2.23 0.00 0.00 178.31 176.75 3dwq h VAL 89 N -0.48 0.97 0.05 1.41 2.07 -0.98 -0.35 116.25 118.94 3dwq h VAL 89 Ca -0.02 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3dwq h VAL 89 Cb 0.37 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3dwq h VAL 89 CO 0.04 0.11 -0.03 0.50 0.02 0.00 0.00 177.57 178.21 3dwq h LYS 90 N 0.58 -0.07 0.00 1.57 3.64 -1.02 -2.95 116.57 118.32 3dwq h LYS 90 Ca 0.25 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 3dwq h LYS 90 Cb 0.14 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3dwq h LYS 90 CO -0.16 -0.04 -0.55 0.00 -2.27 0.00 0.00 179.45 176.43 3dwq h ALA 91 N 0.87 0.82 -3.00 5.00 0.00 -1.22 -3.45 119.26 118.29 3dwq h ALA 91 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dwq h ALA 91 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dwq h ALA 91 CO 0.01 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.22 3dwq n LEU 92 N -3.48 0.00 -3.55 0.00 4.77 -0.16 -5.10 117.00 109.48 3dwq n LEU 92 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 3dwq n LEU 92 Cb 0.65 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 3dwq n LEU 92 CO 0.40 0.00 0.68 0.28 -1.33 0.00 0.00 177.39 177.42 3dwq s THR 93 N 0.65 0.00 -0.99 -5.08 -1.32 -1.12 -4.95 115.64 102.83 3dwq s THR 93 Ca 0.00 -0.14 0.24 0.00 -1.21 0.00 0.00 61.69 60.58 3dwq s THR 93 Cb 0.00 -1.21 -0.05 0.00 -1.51 0.00 0.00 72.50 69.73 3dwq s THR 93 CO 0.00 0.00 1.30 -1.54 -2.21 0.00 0.00 174.62 172.17 3dwq n SER 94 N -0.30 0.61 -4.67 8.08 3.41 -1.26 -4.32 113.62 115.17 3dwq n SER 94 Ca -0.09 -0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 57.69 3dwq n SER 94 Cb 0.62 0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.96 3dwq n SER 94 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3dwq s ASN 95 N -3.02 6.77 0.02 4.04 0.01 -1.26 -1.55 114.94 119.95 3dwq s ASN 95 Ca 0.10 2.10 -0.25 0.00 -0.71 0.00 0.00 52.86 54.10 3dwq s ASN 95 Cb 0.17 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.24 3dwq s ASN 95 CO 0.74 -0.84 0.77 0.00 -1.51 0.00 0.00 177.10 176.26 3dwq s ALA 96 N 3.44 3.35 -0.10 0.60 0.00 -0.56 -0.42 121.76 128.06 3dwq s ALA 96 Ca 0.67 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 3dwq s ALA 96 Cb -0.31 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3dwq s ALA 96 CO 0.26 0.01 1.21 -1.17 0.00 0.00 0.00 175.76 176.07 3dwq s LEU 97 N 0.19 4.23 0.00 0.00 2.96 0.60 -1.29 118.68 125.37 3dwq s LEU 97 Ca 0.39 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.04 3dwq s LEU 97 Cb -0.20 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3dwq s LEU 97 CO 0.22 -0.65 0.28 1.33 -1.32 0.00 0.00 176.35 176.21 3dwq n VAL 98 N 4.92 0.00 0.00 1.68 0.24 -0.29 -4.79 118.33 120.09 3dwq n VAL 98 Ca 0.12 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3dwq n VAL 98 Cb 0.46 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 3dwq n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dwq n GLY 99 N 0.43 0.87 3.00 7.63 0.00 -1.20 -4.63 105.19 111.30 3dwq n GLY 99 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 3dwq n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwq s LEU 100 N 0.00 2.10 -0.05 0.99 1.43 -1.26 -1.96 118.68 119.94 3dwq s LEU 100 Ca 0.00 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 3dwq s LEU 100 Cb 0.00 0.20 0.02 0.00 0.03 0.00 0.00 46.19 46.45 3dwq s LEU 100 CO 0.00 -0.30 0.30 -0.44 0.23 0.00 0.00 176.35 176.14 3dwq s SER 101 N -1.39 -0.23 0.62 2.29 0.01 -1.04 -4.96 113.70 109.00 3dwq s SER 101 Ca -0.15 0.28 -0.15 0.00 1.31 0.00 0.00 55.95 57.24 3dwq s SER 101 Cb -0.09 0.44 -0.02 0.00 0.21 0.00 0.00 66.02 66.55 3dwq s SER 101 CO -0.01 -0.31 1.07 0.42 0.41 0.00 0.00 173.24 174.83 3dwq s THR 102 N -0.75 3.69 0.10 1.44 -4.23 -1.26 -0.42 115.64 114.22 3dwq s THR 102 Ca -0.08 0.77 0.09 0.00 -1.18 0.00 0.00 61.69 61.28 3dwq s THR 102 Cb -0.04 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 3dwq s THR 102 CO 0.03 -0.51 -0.23 0.00 -0.54 0.00 0.00 174.62 173.37 3dwq n THR 104 N 1.13 1.59 -4.15 0.00 -2.24 0.31 -4.97 114.28 105.95 3dwq n THR 104 Ca -0.19 -0.72 -0.08 0.00 -2.27 0.00 0.00 64.05 60.80 3dwq n THR 104 Cb 0.53 -1.21 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 3dwq n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dwq n THR 105 N -3.16 0.00 0.33 4.28 -2.24 -0.77 -5.00 114.28 107.72 3dwq n THR 105 Ca -0.31 -0.74 0.15 0.00 -2.27 0.00 0.00 64.05 60.88 3dwq n THR 105 Cb 1.06 0.27 0.59 0.00 -2.10 0.00 0.00 70.33 70.15 3dwq n THR 105 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dwq h SER 106 N 0.51 0.00 0.00 3.42 4.64 -1.94 -3.30 113.55 116.88 3dwq h SER 106 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3dwq h SER 106 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3dwq h SER 106 CO 0.15 0.00 -0.88 0.35 -0.87 0.00 0.00 176.83 175.58 3dwq n THR 107 N -2.75 0.00 -3.70 2.95 -2.24 -1.26 -2.73 114.28 104.56 3dwq n THR 107 Ca 0.01 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.42 3dwq n THR 107 Cb 0.29 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.78 3dwq n THR 107 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dwq s GLU 108 N -1.77 3.34 0.10 -0.78 0.41 -1.24 -4.94 118.70 113.81 3dwq s GLU 108 Ca 0.00 -0.71 0.02 0.00 -0.41 0.00 0.00 54.97 53.88 3dwq s GLU 108 Cb 0.00 -3.48 -0.04 0.00 -1.78 0.00 0.00 34.13 28.84 3dwq s GLU 108 CO 0.00 -0.38 -0.08 0.00 -0.49 0.00 0.00 175.26 174.31 3dwq s PHE 110 N -3.20 3.21 0.00 0.00 5.36 -0.50 -4.87 117.98 117.99 3dwq s PHE 110 Ca 0.09 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 3dwq s PHE 110 Cb 0.02 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 39.13 3dwq s PHE 110 CO -0.03 -1.57 0.00 0.41 -1.46 0.00 0.00 175.22 172.57 3dwq n GLY 111 N 1.21 -1.79 3.80 13.12 0.00 -1.26 -4.75 105.19 115.53 3dwq n GLY 111 Ca 0.01 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 3dwq n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwq s PRO 112 N 0.00 2.91 0.33 1.61 0.04 -1.26 -5.05 135.00 133.58 3dwq s PRO 112 Ca 0.00 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 61.88 3dwq s PRO 112 Cb 0.00 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 3dwq s PRO 112 CO 0.00 -1.13 0.92 -0.51 0.04 0.00 0.00 177.00 176.32 3dwq s ASP 113 N -3.39 7.25 -0.41 6.66 1.01 -1.26 -4.93 116.67 121.59 3dwq s ASP 113 Ca 0.60 1.77 0.03 0.00 0.71 0.00 0.00 52.55 55.67 3dwq s ASP 113 Cb -0.15 -2.56 0.12 0.00 1.01 0.00 0.00 42.92 41.33 3dwq s ASP 113 CO 0.50 -0.11 0.15 -0.60 0.21 0.00 0.00 175.17 175.33 3dwq s ARG 114 N -2.23 1.52 -0.11 8.23 3.52 -1.26 -4.48 118.95 124.13 3dwq s ARG 114 Ca 0.51 -2.05 -0.20 0.00 -0.13 0.00 0.00 55.73 53.87 3dwq s ARG 114 Cb -0.17 -2.96 0.05 0.00 -1.56 0.00 0.00 34.95 30.31 3dwq s ARG 114 CO 0.22 -1.04 0.49 -1.59 -0.81 0.00 0.00 175.30 172.57 3dwq s LYS 115 N 0.51 0.71 0.00 5.12 -2.85 -0.54 -2.83 119.74 119.86 3dwq s LYS 115 Ca 0.14 0.36 0.00 0.00 -1.00 0.00 0.00 55.97 55.47 3dwq s LYS 115 Cb -0.22 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 3dwq s LYS 115 CO -0.06 -0.15 0.49 1.63 0.10 0.00 0.00 175.35 177.36