#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 -0.68 0.34 -1.84 -0.00 -1.26 -5.03 118.94 110.46 3dwq s TRP 2 Ca 0.00 1.61 0.14 0.00 -0.00 0.00 0.00 56.10 57.85 3dwq s TRP 2 Cb 0.00 0.26 1.10 0.00 -0.00 0.00 0.00 33.47 34.83 3dwq s TRP 2 CO 0.00 -0.33 1.61 1.15 -0.00 0.00 0.00 176.95 179.38 3dwq h THR 3 N 4.38 0.13 -0.36 5.86 2.02 -1.99 -0.98 112.91 121.98 3dwq h THR 3 Ca -0.29 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3dwq h THR 3 Cb 1.18 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3dwq h THR 3 CO 0.15 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.67 3dwq n GLY 4 N -1.32 2.07 3.75 2.16 0.00 -1.26 -4.66 105.19 105.93 3dwq n GLY 4 Ca 0.32 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3dwq n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dwq n ASP 5 N 0.46 2.86 -3.97 1.61 8.00 -0.37 -4.71 116.55 120.43 3dwq n ASP 5 Ca 0.16 1.01 -0.39 0.00 0.71 0.00 0.00 54.79 56.28 3dwq n ASP 5 Cb 0.71 -1.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 3dwq n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwq n ALA 6 N -0.83 3.34 -2.41 2.24 0.00 -1.26 -4.03 120.51 117.55 3dwq n ALA 6 Ca 0.09 -3.39 -0.11 0.00 0.00 0.00 0.00 53.44 50.03 3dwq n ALA 6 Cb 0.44 -3.58 -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 4.98 1.18 0.17 0.00 0.52 -1.18 -4.19 118.95 120.43 3dwq s ARG 7 Ca 0.58 -1.46 -0.32 0.00 -0.52 0.00 0.00 55.73 54.02 3dwq s ARG 7 Cb 0.10 0.31 -0.11 0.00 0.52 0.00 0.00 34.95 35.77 3dwq s ARG 7 CO 0.09 -0.40 1.65 -0.51 0.02 0.00 0.00 175.30 176.14 3dwq s ASP 8 N -3.08 6.50 0.01 0.23 1.01 -1.26 -2.24 116.67 117.84 3dwq s ASP 8 Ca 0.30 2.70 -0.01 0.00 0.71 0.00 0.00 52.55 56.24 3dwq s ASP 8 Cb 0.05 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3dwq s ASP 8 CO 0.07 -0.89 0.07 0.61 0.21 0.00 0.00 175.17 175.23 3dwq n GLY 9 N 3.88 1.10 3.18 0.21 0.00 -0.47 -4.43 105.19 108.66 3dwq n GLY 9 Ca 0.15 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 0.53 -0.21 1.61 0.23 -1.15 -1.99 119.30 116.31 3dwq s MET 10 Ca 0.01 -0.12 0.02 0.00 -1.03 0.00 0.00 55.69 54.57 3dwq s MET 10 Cb -0.00 0.23 0.04 0.00 -1.53 0.00 0.00 34.83 33.57 3dwq s MET 10 CO 0.00 -0.13 -0.16 -0.06 -2.03 0.00 0.00 175.02 172.65 3dwq s PHE 11 N -1.00 2.93 0.12 3.16 2.99 -0.40 -4.99 117.98 120.79 3dwq s PHE 11 Ca -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 56.93 54.89 3dwq s PHE 11 Cb -0.05 -1.89 -0.05 0.00 0.00 0.00 0.00 43.02 41.02 3dwq s PHE 11 CO 0.02 -0.83 0.33 -1.12 -0.00 0.00 0.00 175.22 173.63 3dwq s SER 12 N 1.23 6.45 -0.96 1.36 0.01 -1.26 -0.41 113.70 120.12 3dwq s SER 12 Ca -0.01 0.50 -0.06 0.00 1.31 0.00 0.00 55.95 57.69 3dwq s SER 12 Cb -0.16 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.02 3dwq s SER 12 CO -0.09 0.08 0.84 0.61 0.41 0.00 0.00 173.24 175.09 3dwq n GLY 13 N 0.13 -0.12 3.69 3.44 0.00 -0.87 -4.72 105.19 106.74 3dwq n GLY 13 Ca -0.03 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.23 5.26 -0.32 1.61 1.01 0.17 -4.51 120.40 120.40 3dwq s VAL 14 Ca 0.39 0.57 -0.22 0.00 0.00 0.00 0.00 61.98 62.72 3dwq s VAL 14 Cb -0.17 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 3dwq s VAL 14 CO 0.52 0.32 0.69 -0.69 0.00 0.00 0.00 175.10 175.94 3dwq s VAL 15 N 0.95 4.86 -0.18 2.92 1.01 -0.99 -0.41 120.40 128.56 3dwq s VAL 15 Ca 0.16 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 3dwq s VAL 15 Cb -0.14 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3dwq s VAL 15 CO 0.06 -0.23 1.38 -0.63 0.00 0.00 0.00 175.10 175.68 3dwq s ILE 16 N 2.78 4.07 -0.08 2.22 1.01 -1.26 -2.58 121.20 127.37 3dwq s ILE 16 Ca 0.28 1.27 0.06 0.00 0.00 0.00 0.00 60.65 62.25 3dwq s ILE 16 Cb -0.14 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 3dwq s ILE 16 CO 0.13 -0.20 0.15 0.35 0.00 0.00 0.00 174.94 175.37 3dwq n THR 17 N 5.67 0.00 -4.22 2.92 -2.24 -0.44 -4.64 114.28 111.33 3dwq n THR 17 Ca 0.15 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.57 3dwq n THR 17 Cb 0.45 0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 69.08 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 -2.16 0.60 -0.03 -0.78 -1.52 -0.77 -5.01 119.66 109.98 3dwq s GLN 18 Ca -0.01 -0.44 -0.01 0.00 -1.95 0.00 0.00 55.36 52.95 3dwq s GLN 18 Cb 0.04 -0.53 0.02 0.00 -0.22 0.00 0.00 33.01 32.32 3dwq s GLN 18 CO 0.24 0.14 0.07 0.12 -0.25 0.00 0.00 175.29 175.60 3dwq s PHE 19 N -0.54 -0.05 -0.00 0.91 5.36 -1.26 -2.03 117.98 120.36 3dwq s PHE 19 Ca -0.00 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 3dwq s PHE 19 Cb -0.05 -0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.51 3dwq s PHE 19 CO 0.00 -0.09 -0.01 -1.58 -1.46 0.00 0.00 175.22 172.08 3dwq s HIS 20 N 0.79 0.08 0.00 10.12 5.65 -0.44 -5.01 115.29 126.49 3dwq s HIS 20 Ca -0.06 -0.02 0.05 0.00 0.25 0.00 0.00 55.06 55.27 3dwq s HIS 20 Cb -0.09 -0.05 -0.01 0.00 -1.18 0.00 0.00 32.58 31.24 3dwq s HIS 20 CO -0.03 -0.00 -0.15 0.95 -0.65 0.00 0.00 174.74 174.86 3dwq s THR 21 N -0.04 1.17 0.00 0.89 -4.23 -1.26 -0.21 115.64 111.95 3dwq s THR 21 Ca 0.00 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 3dwq s THR 21 Cb -0.00 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.84 3dwq s THR 21 CO -0.00 0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 3dwq n GLY 22 N 2.50 3.26 2.88 3.99 0.00 -0.37 -5.01 105.19 112.44 3dwq n GLY 22 Ca -0.15 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 0.16 0.05 -0.04 1.61 0.74 -1.26 -1.08 119.66 119.82 3dwq s GLN 23 Ca 0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 55.36 55.36 3dwq s GLN 23 Cb 0.00 -0.04 0.03 0.00 1.10 0.00 0.00 33.01 34.10 3dwq s GLN 23 CO 0.00 0.01 0.10 -1.50 -0.55 0.00 0.00 175.29 173.35 3dwq s ILE 24 N -0.04 -0.04 -1.24 -2.34 2.07 -0.61 -4.94 121.20 114.07 3dwq s ILE 24 Ca -0.00 0.13 -0.16 0.00 -1.41 0.00 0.00 60.65 59.21 3dwq s ILE 24 Cb -0.00 -0.17 0.00 0.00 0.13 0.00 0.00 42.46 42.42 3dwq s ILE 24 CO -0.00 0.05 0.64 0.47 -1.91 0.00 0.00 174.94 174.19 3dwq n ASP 25 N 3.84 -3.42 -1.90 4.50 8.00 -1.26 -1.69 116.55 124.61 3dwq n ASP 25 Ca -0.22 -1.07 -0.21 0.00 0.71 0.00 0.00 54.79 54.00 3dwq n ASP 25 Cb 0.54 -2.95 -0.06 0.00 -0.02 0.00 0.00 41.12 38.63 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 -2.69 -5.68 -3.88 -2.24 2.85 -1.26 -4.97 115.26 97.39 3dwq n ASN 26 Ca -0.17 0.31 -0.26 0.00 -0.11 0.00 0.00 54.58 54.36 3dwq n ASN 26 Cb 0.62 -4.89 -0.17 0.00 1.24 0.00 0.00 39.78 36.58 3dwq n ASN 26 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3dwq s LYS 27 N -4.26 1.31 0.50 1.20 1.02 -0.68 -5.11 119.74 113.72 3dwq s LYS 27 Ca 0.00 -0.18 -0.22 0.00 0.02 0.00 0.00 55.97 55.59 3dwq s LYS 27 Cb 0.00 -1.42 -0.06 0.00 -0.52 0.00 0.00 37.83 35.83 3dwq s LYS 27 CO 0.00 -0.25 1.19 -1.25 -0.92 0.00 0.00 175.35 174.11 3dwq s PRO 28 N 1.68 3.54 0.04 -1.68 0.04 -1.26 -1.57 135.00 135.79 3dwq s PRO 28 Ca 0.03 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 3dwq s PRO 28 Cb -0.13 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 3dwq s PRO 28 CO -0.07 -0.74 0.12 1.52 0.04 0.00 0.00 177.00 177.87 3dwq s TYR 29 N -1.56 0.17 0.17 0.56 -0.85 -0.24 -1.04 117.35 114.55 3dwq s TYR 29 Ca 0.67 -0.46 0.07 0.00 -0.52 0.00 0.00 57.07 56.83 3dwq s TYR 29 Cb -0.29 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 3dwq s TYR 29 CO 0.35 -0.39 -0.14 -0.59 -1.52 0.00 0.00 175.55 173.26 3dwq s PHE 30 N -2.66 1.58 0.01 -3.49 -0.12 0.04 -1.23 117.98 112.11 3dwq s PHE 30 Ca -0.04 -0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 56.25 3dwq s PHE 30 Cb -0.01 -0.78 -0.01 0.00 -0.63 0.00 0.00 43.02 41.59 3dwq s PHE 30 CO -0.05 0.26 0.01 0.00 -0.05 0.00 0.00 175.22 175.39 3dwq s ILE 32 N -1.20 1.24 -0.02 0.00 -4.36 -0.16 -1.32 121.20 115.37 3dwq s ILE 32 Ca -0.13 -1.30 0.05 0.00 -0.26 0.00 0.00 60.65 59.01 3dwq s ILE 32 Cb -0.08 -1.16 -0.01 0.00 1.25 0.00 0.00 42.46 42.46 3dwq s ILE 32 CO -0.00 -0.15 -0.16 -0.70 0.24 0.00 0.00 174.94 174.17 3dwq s GLU 33 N -1.66 1.48 0.06 0.37 -6.30 -0.86 -2.17 118.70 109.62 3dwq s GLU 33 Ca 0.00 -0.58 -0.09 0.00 -2.50 0.00 0.00 54.97 51.80 3dwq s GLU 33 Cb -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 34.13 32.66 3dwq s GLU 33 CO 0.02 0.30 0.19 0.20 0.02 0.00 0.00 175.26 176.00 3dwq s GLY 34 N -0.21 0.06 -0.09 -1.50 0.00 -0.87 -1.33 107.32 103.38 3dwq s GLY 34 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 44.72 44.30 3dwq s GLY 34 CO 0.00 -0.62 -0.07 0.54 0.00 0.00 0.00 173.10 172.96 3dwq s LYS 35 N -3.14 2.98 0.73 2.90 -0.14 -1.06 -1.77 119.74 120.24 3dwq s LYS 35 Ca -0.01 -0.56 -0.12 0.00 -1.36 0.00 0.00 55.97 53.93 3dwq s LYS 35 Cb 0.02 -2.66 0.17 0.00 -1.68 0.00 0.00 37.83 33.68 3dwq s LYS 35 CO -0.07 0.54 0.99 1.04 -0.76 0.00 0.00 175.35 177.09 3dwq n GLN 36 N 2.59 -0.95 -2.99 1.68 6.02 -0.71 -2.35 117.38 120.66 3dwq n GLN 36 Ca -0.18 -1.55 -0.13 0.00 -0.01 0.00 0.00 57.00 55.14 3dwq n GLN 36 Cb 0.53 -1.02 -0.03 0.00 1.02 0.00 0.00 30.24 30.74 3dwq n GLN 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3dwq n SER 37 N -3.63 -2.31 0.00 1.08 2.88 -1.26 -0.64 113.62 109.74 3dwq n SER 37 Ca 0.12 -2.74 0.00 0.00 -1.33 0.00 0.00 58.87 54.93 3dwq n SER 37 Cb 0.43 0.89 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 3dwq n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dwq n ALA 38 N 2.81 0.00 0.00 -1.46 0.00 -1.26 -5.09 120.51 115.51 3dwq n ALA 38 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3dwq n ALA 38 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 1.46 3.77 0.00 0.00 0.19 -5.12 105.19 105.49 3dwq n GLY 39 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3dwq n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwq s SER 40 N -1.45 6.86 0.11 1.61 1.04 -1.26 -4.59 113.70 116.02 3dwq s SER 40 Ca 0.00 2.19 -0.15 0.00 0.48 0.00 0.00 55.95 58.47 3dwq s SER 40 Cb 0.00 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.45 3dwq s SER 40 CO 0.00 -0.42 0.54 -0.44 0.98 0.00 0.00 173.24 173.89 3dwq s SER 41 N -1.23 6.88 -0.03 7.02 0.01 -1.26 -1.74 113.70 123.35 3dwq s SER 41 Ca 0.53 1.10 0.03 0.00 1.31 0.00 0.00 55.95 58.93 3dwq s SER 41 Cb -0.28 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3dwq s SER 41 CO 0.35 0.17 -0.11 -0.51 0.41 0.00 0.00 173.24 173.55 3dwq s ILE 42 N -1.34 0.96 0.03 1.44 1.10 -0.73 -5.02 121.20 117.65 3dwq s ILE 42 Ca 0.34 -0.46 0.08 0.00 -0.51 0.00 0.00 60.65 60.09 3dwq s ILE 42 Cb -0.16 -0.84 -0.02 0.00 0.15 0.00 0.00 42.46 41.58 3dwq s ILE 42 CO 0.18 0.29 -0.23 -0.44 -2.11 0.00 0.00 174.94 172.63 3dwq s SER 43 N 0.10 2.74 -0.18 4.50 0.01 -1.26 -2.05 113.70 117.56 3dwq s SER 43 Ca -0.02 -0.52 -0.16 0.00 1.31 0.00 0.00 55.95 56.55 3dwq s SER 43 Cb -0.09 -0.25 0.05 0.00 0.21 0.00 0.00 66.02 65.94 3dwq s SER 43 CO 0.01 0.22 0.48 0.00 0.41 0.00 0.00 173.24 174.36 3dwq s ALA 44 N -0.75 -1.20 0.12 1.44 0.00 -0.92 -4.61 121.76 115.84 3dwq s ALA 44 Ca 0.09 1.38 0.11 0.00 0.00 0.00 0.00 51.96 53.54 3dwq s ALA 44 Cb -0.09 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 3dwq s ALA 44 CO 0.01 -0.23 -0.27 0.00 0.00 0.00 0.00 175.76 175.27 3dwq s SER 46 N -1.94 3.03 -0.05 0.00 0.15 0.32 -0.54 113.70 114.67 3dwq s SER 46 Ca 0.13 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.30 3dwq s SER 46 Cb -0.10 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 63.90 3dwq s SER 46 CO 0.05 0.29 -0.12 -0.32 1.20 0.00 0.00 173.24 174.35 3dwq s MET 47 N -0.84 1.42 0.26 5.44 1.75 -1.26 -0.78 119.30 125.28 3dwq s MET 47 Ca 0.10 -0.40 -0.30 0.00 -1.25 0.00 0.00 55.69 53.85 3dwq s MET 47 Cb -0.10 -1.23 -0.10 0.00 2.84 0.00 0.00 34.83 36.24 3dwq s MET 47 CO 0.00 0.09 1.36 0.21 -0.65 0.00 0.00 175.02 176.04 3dwq s LYS 48 N 0.40 4.33 -1.63 4.11 2.20 -0.21 -2.95 119.74 125.99 3dwq s LYS 48 Ca -0.08 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 3dwq s LYS 48 Cb -0.13 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3dwq s LYS 48 CO 0.02 -0.30 0.00 0.09 -0.36 0.00 0.00 175.35 174.80 3dwq n ASN 49 N 2.01 -4.32 -4.76 1.43 5.03 -1.26 -4.68 115.26 108.70 3dwq n ASN 49 Ca 0.05 0.33 -0.31 0.00 0.87 0.00 0.00 54.58 55.52 3dwq n ASN 49 Cb 0.41 -3.87 0.10 0.00 -1.02 0.00 0.00 39.78 35.40 3dwq n ASN 49 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3dwq s SER 50 N -2.29 4.37 0.00 6.41 1.04 -1.15 -4.92 113.70 117.17 3dwq s SER 50 Ca 0.00 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.15 3dwq s SER 50 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3dwq s SER 50 CO 0.00 -2.10 0.83 -0.24 0.98 0.00 0.00 173.24 172.70 3dwq n SER 51 N -3.56 0.00 -0.07 7.02 2.88 -1.26 -2.87 113.62 115.76 3dwq n SER 51 Ca 0.08 0.83 -0.22 0.00 -1.33 0.00 0.00 58.87 58.23 3dwq n SER 51 Cb 0.54 -0.33 -0.12 0.00 -0.75 0.00 0.00 64.21 63.55 3dwq n SER 51 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3dwq n VAL 52 N -2.03 1.62 -0.82 2.46 0.31 -1.26 -4.51 118.33 114.10 3dwq n VAL 52 Ca 0.00 -0.27 0.08 0.00 -0.01 0.00 0.00 64.34 64.14 3dwq n VAL 52 Cb 0.00 -1.92 0.29 0.00 -0.91 0.00 0.00 33.84 31.30 3dwq n VAL 52 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3dwq n TRP 53 N -4.08 1.17 0.20 3.52 7.02 -1.26 -4.60 117.44 119.41 3dwq n TRP 53 Ca -0.34 -0.76 0.05 0.00 -1.02 0.00 0.00 57.50 55.42 3dwq n TRP 53 Cb 0.82 -0.30 0.41 0.00 -2.42 0.00 0.00 31.31 29.82 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 2.56 0.00 1.38 6.99 0.00 -1.72 -2.98 103.07 109.29 3dwq h GLY 54 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3dwq h GLY 54 CO 0.25 0.00 0.23 0.00 0.00 0.00 0.00 176.54 177.02 3dwq h ALA 55 N 1.67 2.12 -0.02 3.60 0.00 -1.82 -2.50 119.26 122.30 3dwq h ALA 55 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dwq h ALA 55 Cb 0.64 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dwq h ALA 55 CO 0.04 -0.37 -0.01 0.43 0.00 0.00 0.00 179.25 179.34 3dwq n SER 56 N -4.19 2.24 -0.03 0.00 7.64 -1.13 -4.59 113.62 113.57 3dwq n SER 56 Ca 0.04 -1.74 -0.09 0.00 1.01 0.00 0.00 58.87 58.09 3dwq n SER 56 Cb 0.39 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 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 3.50 -0.68 -0.54 1.43 3.57 -1.59 -0.38 116.94 122.25 3dwq h PHE 57 Ca 0.00 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3dwq h PHE 57 Cb 0.75 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 3dwq h PHE 57 CO 0.00 -0.33 0.15 0.66 -2.23 0.00 0.00 178.31 176.56 3dwq h SER 58 N -0.29 0.81 -0.18 0.41 4.64 -1.83 -0.33 113.55 116.77 3dwq h SER 58 Ca 0.12 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3dwq h SER 58 Cb 0.47 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3dwq h SER 58 CO -0.36 0.81 0.03 0.74 -0.87 0.00 0.00 176.83 177.19 3dwq h THR 59 N 0.76 1.22 -0.30 2.95 2.02 -1.82 -2.73 112.91 115.01 3dwq h THR 59 Ca 0.17 -0.72 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 3dwq h THR 59 Cb 0.31 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3dwq h THR 59 CO -0.00 0.22 -0.23 -0.07 0.37 0.00 0.00 175.52 175.80 3dwq h LEU 60 N 0.09 0.57 0.26 2.58 3.38 -0.96 -1.23 115.31 120.00 3dwq h LEU 60 Ca 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3dwq h LEU 60 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3dwq h LEU 60 CO 0.00 0.80 -0.17 0.22 0.09 0.00 0.00 178.44 179.38 3dwq h TYR 61 N 0.50 -0.45 -0.27 1.13 3.20 -1.04 0.18 116.97 120.22 3dwq h TYR 61 Ca 0.07 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.98 3dwq h TYR 61 Cb 0.68 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 3dwq h TYR 61 CO 0.03 -0.27 0.04 -0.91 -1.64 0.00 0.00 178.16 175.41 3dwq h ASN 62 N -0.43 -0.01 -0.36 -2.11 2.35 -1.35 -1.55 115.58 112.13 3dwq h ASN 62 Ca -0.02 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 3dwq h ASN 62 Cb 0.36 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 3dwq h ASN 62 CO 0.01 0.03 -0.12 -0.61 -1.65 0.00 0.00 177.43 175.10 3dwq h GLN 63 N 0.14 0.72 -0.71 0.81 5.75 -1.14 -1.80 115.11 118.88 3dwq h GLN 63 Ca 0.13 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.28 3dwq h GLN 63 Cb 0.14 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 3dwq h GLN 63 CO -0.17 0.89 0.23 0.00 -2.65 0.00 0.00 178.83 177.12 3dwq h ALA 64 N 0.81 1.07 -0.14 3.38 0.00 -0.52 -0.85 119.26 123.01 3dwq h ALA 64 Ca 0.09 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3dwq h ALA 64 Cb 0.64 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3dwq h ALA 64 CO 0.04 0.64 -0.55 1.25 0.00 0.00 0.00 179.25 180.63 3dwq h LEU 65 N 1.04 0.45 0.11 0.00 5.85 -1.23 -0.30 115.31 121.23 3dwq h LEU 65 Ca 0.23 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3dwq h LEU 65 Cb 0.28 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3dwq h LEU 65 CO -0.01 0.91 -0.05 0.22 -0.34 0.00 0.00 178.44 179.16 3dwq h TYR 66 N 0.31 -0.14 -0.15 1.25 3.20 -1.07 -2.08 116.97 118.30 3dwq h TYR 66 Ca 0.01 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 3dwq h TYR 66 Cb 1.06 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3dwq h TYR 66 CO 0.03 -0.07 -0.32 0.74 -1.64 0.00 0.00 178.16 176.91 3dwq h PHE 67 N -0.17 0.33 -0.90 -3.82 0.04 -1.07 -1.82 116.94 109.53 3dwq h PHE 67 Ca -0.02 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 3dwq h PHE 67 Cb 0.13 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 3dwq h PHE 67 CO -0.06 0.58 0.53 -0.92 -0.60 0.00 0.00 178.31 177.84 3dwq h TYR 68 N 0.26 1.18 -0.26 -0.55 3.20 -1.00 -1.69 116.97 118.11 3dwq h TYR 68 Ca 0.03 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 3dwq h TYR 68 Cb 0.69 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 3dwq h TYR 68 CO 0.01 0.79 -0.35 1.15 -1.64 0.00 0.00 178.16 178.12 3dwq h THR 69 N 1.24 1.31 0.00 1.81 2.02 -0.78 -3.28 112.91 115.23 3dwq h THR 69 Ca 0.32 -1.55 -0.19 0.00 0.77 0.00 0.00 66.41 65.76 3dwq h THR 69 Cb -0.04 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3dwq h THR 69 CO -0.06 0.49 -0.92 0.71 0.37 0.00 0.00 175.52 176.11 3dwq h THR 70 N 0.43 1.62 0.00 3.16 1.35 -1.34 -3.48 112.91 114.65 3dwq h THR 70 Ca 0.03 -3.21 0.00 0.00 -0.55 0.00 0.00 66.41 62.68 3dwq h THR 70 Cb 0.94 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 3dwq h THR 70 CO 0.08 0.91 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 3dwq n GLY 71 N 1.24 0.56 3.77 5.82 0.00 -0.64 -5.02 105.19 110.93 3dwq n GLY 71 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.23 3.69 0.07 1.61 -2.07 -1.25 -4.80 119.66 116.68 3dwq s GLN 72 Ca 0.00 1.93 -0.31 0.00 -1.82 0.00 0.00 55.36 55.16 3dwq s GLN 72 Cb 0.00 -2.45 -0.08 0.00 -1.09 0.00 0.00 33.01 29.39 3dwq s GLN 72 CO 0.00 -0.65 1.67 -2.14 -1.32 0.00 0.00 175.29 172.85 3dwq s PRO 73 N -2.64 4.19 0.23 9.60 0.02 -1.26 -4.51 135.00 140.63 3dwq s PRO 73 Ca 0.64 2.35 0.04 0.00 0.02 0.00 0.00 61.00 64.04 3dwq s PRO 73 Cb -0.32 -3.63 -0.05 0.00 0.02 0.00 0.00 34.50 30.51 3dwq s PRO 73 CO 0.40 -0.75 -0.01 0.14 -0.33 0.00 0.00 177.00 176.44 3dwq s VAL 74 N 2.75 1.08 -0.14 3.83 -7.23 0.45 -3.25 120.40 117.89 3dwq s VAL 74 Ca 0.75 -2.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.74 3dwq s VAL 74 Cb -0.40 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 3dwq s VAL 74 CO 0.33 -0.35 0.31 -0.60 -0.31 0.00 0.00 175.10 174.47 3dwq s ARG 75 N -3.85 4.18 -0.28 4.82 3.52 0.56 0.44 118.95 128.34 3dwq s ARG 75 Ca 0.28 0.14 -0.09 0.00 -0.13 0.00 0.00 55.73 55.93 3dwq s ARG 75 Cb 0.05 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 3dwq s ARG 75 CO 0.08 0.31 0.12 0.42 -0.81 0.00 0.00 175.30 175.42 3dwq s ILE 76 N 0.24 4.50 -0.13 4.11 1.09 0.45 -2.13 121.20 129.33 3dwq s ILE 76 Ca 0.18 -0.29 -0.17 0.00 -1.10 0.00 0.00 60.65 59.27 3dwq s ILE 76 Cb -0.13 -3.21 -0.04 0.00 -1.06 0.00 0.00 42.46 38.01 3dwq s ILE 76 CO 0.05 0.19 0.42 -0.31 -0.10 0.00 0.00 174.94 175.19 3dwq s TYR 77 N 1.62 3.50 0.09 3.97 2.02 -0.68 -1.28 117.35 126.59 3dwq s TYR 77 Ca 0.05 0.80 0.01 0.00 -0.37 0.00 0.00 57.07 57.56 3dwq s TYR 77 Cb -0.16 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.88 3dwq s TYR 77 CO 0.05 0.20 -0.05 1.52 -1.57 0.00 0.00 175.55 175.70 3dwq s TYR 78 N 0.55 0.81 -0.21 2.71 -0.85 -0.84 -0.95 117.35 118.56 3dwq s TYR 78 Ca 0.23 -0.97 -0.00 0.00 -0.52 0.00 0.00 57.07 55.81 3dwq s TYR 78 Cb -0.14 -0.49 0.06 0.00 0.38 0.00 0.00 41.96 41.76 3dwq s TYR 78 CO 0.08 -0.22 -0.04 -2.00 -1.52 0.00 0.00 175.55 171.85 3dwq s GLU 79 N -3.87 1.47 0.65 -3.49 2.56 -0.40 -1.36 118.70 114.25 3dwq s GLU 79 Ca 0.11 -0.80 -0.15 0.00 0.00 0.00 0.00 54.97 54.14 3dwq s GLU 79 Cb 0.06 -2.39 -0.01 0.00 2.00 0.00 0.00 34.13 33.79 3dwq s GLU 79 CO -0.06 -0.56 1.09 -1.25 -0.56 0.00 0.00 175.26 173.92 3dwq s PRO 80 N 1.51 2.95 -0.95 4.30 0.04 -1.26 -1.12 135.00 140.46 3dwq s PRO 80 Ca -0.04 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3dwq s PRO 80 Cb -0.18 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3dwq s PRO 80 CO -0.07 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.26 3dwq n GLY 81 N -0.80 0.79 0.09 0.56 0.00 -1.19 -4.91 105.19 99.73 3dwq n GLY 81 Ca 0.10 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 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 1.41 -3.43 1.61 2.07 -1.16 -3.45 116.25 113.31 3dwq h VAL 82 Ca -0.20 -2.28 -0.54 0.00 0.82 0.00 0.00 66.70 64.50 3dwq h VAL 82 Cb 0.77 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 3dwq h VAL 82 CO 0.28 0.48 0.22 0.26 0.02 0.00 0.00 177.57 178.83 3dwq s TRP 83 N -2.28 3.69 0.00 1.57 0.23 -0.65 -4.96 118.94 116.54 3dwq s TRP 83 Ca -0.23 1.53 0.00 0.00 -2.03 0.00 0.00 56.10 55.36 3dwq s TRP 83 Cb 0.01 -2.92 0.00 0.00 0.03 0.00 0.00 33.47 30.58 3dwq s TRP 83 CO 0.65 0.15 0.00 0.25 0.96 0.00 0.00 176.95 178.96 3dwq n THR 84 N 3.30 0.00 -1.96 2.01 -2.24 -1.26 -4.50 114.28 109.62 3dwq n THR 84 Ca 0.01 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 3dwq n THR 84 Cb 0.50 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.07 1.73 0.24 4.78 5.04 -1.26 -4.90 117.35 121.91 3dwq s TYR 85 Ca 0.00 0.64 -0.06 0.00 -2.44 0.00 0.00 57.07 55.21 3dwq s TYR 85 Cb 0.00 -4.10 0.43 0.00 0.35 0.00 0.00 41.96 38.64 3dwq s TYR 85 CO 0.00 -3.02 1.70 -1.35 -1.34 0.00 0.00 175.55 171.54 3dwq h PRO 86 N 13.25 0.29 -0.16 4.97 0.11 -1.99 0.16 132.00 148.63 3dwq h PRO 86 Ca -0.34 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3dwq h PRO 86 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3dwq h PRO 86 CO 1.03 0.19 0.02 -1.35 -0.21 0.00 0.00 178.00 177.69 3dwq h PRO 87 N 0.29 0.22 -0.21 1.05 0.11 -1.99 0.14 132.00 131.62 3dwq h PRO 87 Ca 0.40 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 3dwq h PRO 87 Cb 0.65 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 3dwq h PRO 87 CO -0.48 0.23 0.04 0.35 -0.21 0.00 0.00 178.00 177.93 3dwq h PHE 88 N 0.22 0.36 -0.63 0.65 3.57 -1.10 -1.81 116.94 118.21 3dwq h PHE 88 Ca 0.06 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 3dwq h PHE 88 Cb 0.12 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3dwq h PHE 88 CO 0.00 0.48 0.15 0.28 -2.23 0.00 0.00 178.31 176.99 3dwq h VAL 89 N 0.14 1.25 -0.30 1.41 2.07 -1.01 0.12 116.25 119.94 3dwq h VAL 89 Ca 0.06 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3dwq h VAL 89 Cb 0.31 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3dwq h VAL 89 CO 0.00 0.35 0.14 0.50 0.02 0.00 0.00 177.57 178.58 3dwq h LYS 90 N 0.92 0.44 0.01 1.57 3.64 -0.93 -3.11 116.57 119.11 3dwq h LYS 90 Ca 0.20 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.29 3dwq h LYS 90 Cb 0.35 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3dwq h LYS 90 CO 0.00 0.41 -1.04 0.00 -2.27 0.00 0.00 179.45 176.55 3dwq h ALA 91 N 1.00 0.33 -3.00 5.00 0.00 -1.27 -3.46 119.26 117.86 3dwq h ALA 91 Ca 0.10 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3dwq h ALA 91 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dwq h ALA 91 CO -0.01 1.23 0.00 1.28 0.00 0.00 0.00 179.25 181.74 3dwq n LEU 92 N -3.36 0.00 -3.56 0.00 4.77 0.02 -5.10 117.00 109.78 3dwq n LEU 92 Ca -0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 3dwq n LEU 92 Cb 0.95 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.02 3dwq n LEU 92 CO 0.48 0.00 0.79 0.28 -1.33 0.00 0.00 177.39 177.61 3dwq s THR 93 N 0.67 0.00 -1.01 -5.08 -1.32 -1.18 -4.93 115.64 102.79 3dwq s THR 93 Ca 0.00 -0.08 0.25 0.00 -1.21 0.00 0.00 61.69 60.65 3dwq s THR 93 Cb 0.00 -1.15 -0.02 0.00 -1.51 0.00 0.00 72.50 69.82 3dwq s THR 93 CO 0.00 0.00 1.36 -1.54 -2.21 0.00 0.00 174.62 172.23 3dwq n SER 94 N -0.24 0.56 -4.69 8.08 3.41 -1.26 -4.39 113.62 115.08 3dwq n SER 94 Ca -0.06 -0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 57.79 3dwq n SER 94 Cb 0.61 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.86 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 -2.99 6.81 0.02 4.04 0.01 -1.26 -0.91 114.94 120.65 3dwq s ASN 95 Ca 0.11 2.21 -0.19 0.00 -0.71 0.00 0.00 52.86 54.27 3dwq s ASN 95 Cb 0.17 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.21 3dwq s ASN 95 CO 0.72 -0.73 0.56 0.00 -1.51 0.00 0.00 177.10 176.14 3dwq s ALA 96 N 2.14 3.55 -0.19 0.60 0.00 -0.28 -1.19 121.76 126.40 3dwq s ALA 96 Ca 0.65 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 3dwq s ALA 96 Cb -0.34 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3dwq s ALA 96 CO 0.28 0.27 1.07 -1.17 0.00 0.00 0.00 175.76 176.22 3dwq s LEU 97 N -0.57 4.15 0.00 0.00 2.96 0.30 -1.28 118.68 124.25 3dwq s LEU 97 Ca 0.29 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.68 3dwq s LEU 97 Cb -0.18 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3dwq s LEU 97 CO 0.17 -0.63 0.44 1.33 -1.32 0.00 0.00 176.35 176.34 3dwq n VAL 98 N 5.13 0.00 0.00 1.68 0.24 -0.12 -4.75 118.33 120.51 3dwq n VAL 98 Ca 0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3dwq n VAL 98 Cb 0.46 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 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 0.22 1.25 3.06 7.63 0.00 -1.19 -4.63 105.19 111.53 3dwq n GLY 99 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 1.59 0.00 0.99 1.43 -1.26 -1.68 118.68 119.75 3dwq s LEU 100 Ca 0.00 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3dwq s LEU 100 Cb 0.00 0.54 -0.01 0.00 0.03 0.00 0.00 46.19 46.75 3dwq s LEU 100 CO 0.00 -0.24 0.04 -0.44 0.23 0.00 0.00 176.35 175.94 3dwq s SER 101 N -0.82 0.11 0.56 2.29 0.01 -0.91 -4.96 113.70 109.98 3dwq s SER 101 Ca -0.09 -0.26 -0.18 0.00 1.31 0.00 0.00 55.95 56.73 3dwq s SER 101 Cb -0.05 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.26 3dwq s SER 101 CO 0.01 -0.24 1.07 0.42 0.41 0.00 0.00 173.24 174.91 3dwq s THR 102 N -1.04 3.62 0.08 1.44 -4.23 -1.26 -0.32 115.64 113.92 3dwq s THR 102 Ca -0.11 0.88 0.09 0.00 -1.18 0.00 0.00 61.69 61.36 3dwq s THR 102 Cb -0.07 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 3dwq s THR 102 CO -0.00 -0.34 -0.23 0.00 -0.54 0.00 0.00 174.62 173.51 3dwq n THR 104 N 1.42 1.70 -3.49 0.00 5.66 0.25 -4.93 114.28 114.89 3dwq n THR 104 Ca -0.18 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.20 3dwq n THR 104 Cb 0.53 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.65 3dwq n THR 104 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3dwq n THR 105 N -3.45 0.00 0.82 1.09 -2.24 -1.08 -5.00 114.28 104.41 3dwq n THR 105 Ca -0.36 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3dwq n THR 105 Cb 1.02 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.78 3dwq n THR 105 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dwq n SER 106 N -0.53 0.22 0.00 3.42 3.41 -1.26 -4.05 113.62 114.84 3dwq n SER 106 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3dwq n SER 106 Cb 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3dwq n SER 106 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3dwq n THR 107 N -1.71 0.00 -3.23 6.66 5.66 -1.26 -2.66 114.28 117.73 3dwq n THR 107 Ca 0.06 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.64 3dwq n THR 107 Cb 0.33 -0.02 -0.08 0.00 -1.55 0.00 0.00 70.33 69.01 3dwq n THR 107 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dwq s GLU 108 N -1.11 3.52 0.10 1.09 0.41 -1.26 -4.89 118.70 116.55 3dwq s GLU 108 Ca 0.00 -0.25 0.03 0.00 -0.41 0.00 0.00 54.97 54.34 3dwq s GLU 108 Cb 0.00 -3.85 -0.04 0.00 -1.78 0.00 0.00 34.13 28.47 3dwq s GLU 108 CO 0.00 -0.72 -0.09 0.00 -0.49 0.00 0.00 175.26 173.97 3dwq s PHE 110 N -2.82 3.41 0.00 0.00 5.36 -0.03 -4.88 117.98 119.03 3dwq s PHE 110 Ca 0.07 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 3dwq s PHE 110 Cb -0.00 -3.42 0.00 0.00 -0.34 0.00 0.00 43.02 39.26 3dwq s PHE 110 CO -0.01 -1.04 0.00 0.41 -1.46 0.00 0.00 175.22 173.12 3dwq n GLY 111 N 1.36 -1.59 3.78 13.12 0.00 -1.26 -4.67 105.19 115.93 3dwq n GLY 111 Ca 0.01 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 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 2.30 0.42 1.61 0.04 -1.26 -5.05 135.00 133.05 3dwq s PRO 112 Ca 0.00 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 61.83 3dwq s PRO 112 Cb 0.00 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3dwq s PRO 112 CO 0.00 -1.55 0.88 -0.51 0.04 0.00 0.00 177.00 175.85 3dwq s ASP 113 N -3.62 6.76 -0.44 6.66 1.01 -1.26 -4.97 116.67 120.82 3dwq s ASP 113 Ca 0.60 1.47 0.02 0.00 0.71 0.00 0.00 52.55 55.36 3dwq s ASP 113 Cb -0.16 -2.46 0.13 0.00 1.01 0.00 0.00 42.92 41.45 3dwq s ASP 113 CO 0.56 -0.38 0.23 -0.60 0.21 0.00 0.00 175.17 175.18 3dwq s ARG 114 N -3.43 1.37 -0.03 8.23 3.52 -1.26 -4.47 118.95 122.88 3dwq s ARG 114 Ca 0.58 -2.05 -0.15 0.00 -0.13 0.00 0.00 55.73 53.98 3dwq s ARG 114 Cb -0.10 -2.50 0.03 0.00 -1.56 0.00 0.00 34.95 30.81 3dwq s ARG 114 CO 0.21 -1.14 0.32 -1.59 -0.81 0.00 0.00 175.30 172.30 3dwq s LYS 115 N 0.34 0.64 0.54 5.12 -2.85 -0.95 -2.92 119.74 119.65 3dwq s LYS 115 Ca 0.17 -0.09 -0.21 0.00 -1.00 0.00 0.00 55.97 54.84 3dwq s LYS 115 Cb -0.24 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.76 3dwq s LYS 115 CO -0.01 -0.17 1.22 0.15 0.10 0.00 0.00 175.35 176.64 3dwq s LYS 116 N -1.11 3.25 0.00 1.78 1.02 -1.24 -3.13 119.74 120.31 3dwq s LYS 116 Ca -0.12 1.89 0.22 0.00 0.02 0.00 0.00 55.97 57.98 3dwq s LYS 116 Cb -0.05 -2.14 1.34 0.00 -0.52 0.00 0.00 37.83 36.46 3dwq s LYS 116 CO 0.04 -1.00 1.71 0.09 -0.92 0.00 0.00 175.35 175.27