#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwp s TRP 2 N 0.00 -0.76 0.17 -1.84 -0.00 -1.26 -5.02 118.94 110.22 3dwp s TRP 2 Ca 0.00 1.58 0.05 0.00 -0.00 0.00 0.00 56.10 57.73 3dwp s TRP 2 Cb 0.00 0.39 0.51 0.00 -0.00 0.00 0.00 33.47 34.37 3dwp s TRP 2 CO 0.00 -0.41 0.80 2.41 -0.00 0.00 0.00 176.95 179.76 3dwp n THR 3 N 4.31 -0.21 -0.03 5.86 -1.04 -1.26 -0.71 114.28 121.20 3dwp n THR 3 Ca -0.22 1.09 0.07 0.00 -2.04 0.00 0.00 64.05 62.95 3dwp n THR 3 Cb 0.56 -1.66 0.26 0.00 -1.82 0.00 0.00 70.33 67.68 3dwp n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dwp n GLY 4 N -1.21 2.03 3.65 3.41 0.00 -1.26 -4.64 105.19 107.17 3dwp n GLY 4 Ca 0.15 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 3dwp n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dwp n ASP 5 N 0.75 1.36 -4.19 1.61 8.00 0.11 -4.63 116.55 119.57 3dwp n ASP 5 Ca 0.19 0.87 -0.39 0.00 0.71 0.00 0.00 54.79 56.16 3dwp n ASP 5 Cb 0.69 -1.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.32 3dwp n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwp n ALA 6 N -1.48 3.61 -2.92 2.24 0.00 -1.26 -3.74 120.51 116.95 3dwp n ALA 6 Ca 0.13 -3.57 -0.14 0.00 0.00 0.00 0.00 53.44 49.86 3dwp n ALA 6 Cb 0.46 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 16.30 3dwp n ALA 6 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3dwp s ARG 7 N 4.63 1.90 0.13 0.00 1.70 -1.17 -4.02 118.95 122.11 3dwp s ARG 7 Ca 0.56 -1.73 -0.31 0.00 -0.47 0.00 0.00 55.73 53.78 3dwp s ARG 7 Cb 0.07 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.81 3dwp s ARG 7 CO 0.06 -0.79 1.52 -0.51 -1.08 0.00 0.00 175.30 174.50 3dwp s ASP 8 N -3.22 6.67 0.02 -2.89 1.01 -1.26 -2.02 116.67 114.97 3dwp s ASP 8 Ca 0.30 2.48 -0.11 0.00 0.71 0.00 0.00 52.55 55.93 3dwp s ASP 8 Cb -0.00 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.38 3dwp s ASP 8 CO 0.20 -0.78 0.51 0.61 0.21 0.00 0.00 175.17 175.92 3dwp n GLY 9 N 3.70 0.63 3.14 0.21 0.00 -0.29 -4.34 105.19 108.25 3dwp n GLY 9 Ca 0.13 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 3dwp n GLY 9 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dwp s MET 10 N -2.01 0.56 -0.12 1.61 0.23 -1.18 -1.46 119.30 116.92 3dwp s MET 10 Ca 0.12 -0.46 0.01 0.00 -1.03 0.00 0.00 55.69 54.33 3dwp s MET 10 Cb -0.01 0.23 0.02 0.00 -1.53 0.00 0.00 34.83 33.55 3dwp s MET 10 CO 0.01 -0.14 -0.13 -0.06 -2.03 0.00 0.00 175.02 172.66 3dwp s PHE 11 N -1.73 1.91 0.12 3.16 2.99 -0.32 -5.00 117.98 119.11 3dwp s PHE 11 Ca -0.12 -0.98 0.02 0.00 0.00 0.00 0.00 56.93 55.85 3dwp s PHE 11 Cb -0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 43.02 41.50 3dwp s PHE 11 CO 0.00 -0.55 0.20 -1.12 -0.00 0.00 0.00 175.22 173.75 3dwp s SER 12 N 1.33 6.05 -0.89 1.36 0.01 -1.26 -0.64 113.70 119.67 3dwp s SER 12 Ca 0.00 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.37 3dwp s SER 12 Cb -0.14 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.33 3dwp s SER 12 CO -0.06 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.30 3dwp n GLY 13 N -0.12 0.54 3.69 3.44 0.00 -0.89 -4.72 105.19 107.12 3dwp n GLY 13 Ca -0.07 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 3dwp n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwp s VAL 14 N -2.41 4.90 -0.21 1.61 1.01 -0.11 -4.34 120.40 120.85 3dwp s VAL 14 Ca 0.00 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.52 3dwp s VAL 14 Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3dwp s VAL 14 CO 0.00 0.10 0.51 -0.69 0.00 0.00 0.00 175.10 175.02 3dwp s VAL 15 N 1.64 5.11 -0.18 2.92 1.01 -0.55 -0.57 120.40 129.78 3dwp s VAL 15 Ca 0.42 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 3dwp s VAL 15 Cb -0.18 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 3dwp s VAL 15 CO 0.17 0.17 1.11 -0.63 0.00 0.00 0.00 175.10 175.91 3dwp s ILE 16 N 1.71 4.56 0.00 2.22 1.01 -1.26 -1.14 121.20 128.29 3dwp s ILE 16 Ca 0.23 1.87 0.00 0.00 0.00 0.00 0.00 60.65 62.76 3dwp s ILE 16 Cb -0.15 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3dwp s ILE 16 CO 0.09 -0.13 0.00 0.35 0.00 0.00 0.00 174.94 175.26 3dwp n THR 17 N 5.17 0.00 -4.00 2.92 -2.24 -0.37 -4.64 114.28 111.12 3dwp n THR 17 Ca 0.12 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 3dwp n THR 17 Cb 0.46 0.63 -0.12 0.00 -2.10 0.00 0.00 70.33 69.20 3dwp n THR 17 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dwp s GLN 18 N -1.69 0.32 -0.06 -0.78 -1.52 -0.98 -5.02 119.66 109.93 3dwp s GLN 18 Ca 0.00 -0.49 -0.03 0.00 -1.95 0.00 0.00 55.36 52.89 3dwp s GLN 18 Cb 0.00 -0.06 0.04 0.00 -0.22 0.00 0.00 33.01 32.76 3dwp s GLN 18 CO 0.00 0.00 0.13 0.12 -0.25 0.00 0.00 175.29 175.29 3dwp s PHE 19 N -1.04 -0.14 0.02 0.91 5.36 -1.26 -2.24 117.98 119.59 3dwp s PHE 19 Ca -0.10 0.44 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 3dwp s PHE 19 Cb -0.07 -0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.50 3dwp s PHE 19 CO -0.00 -0.15 -0.07 -1.58 -1.46 0.00 0.00 175.22 171.96 3dwp s HIS 20 N 1.11 0.57 -0.02 10.12 5.65 -0.06 -5.00 115.29 127.65 3dwp s HIS 20 Ca -0.09 -0.33 0.00 0.00 0.25 0.00 0.00 55.06 54.90 3dwp s HIS 20 Cb -0.11 -0.35 0.02 0.00 -1.18 0.00 0.00 32.58 30.96 3dwp s HIS 20 CO -0.05 -0.05 0.00 0.99 -0.65 0.00 0.00 174.74 174.97 3dwp s THR 21 N -0.86 0.13 0.00 0.89 2.01 -1.26 -0.04 115.64 116.51 3dwp s THR 21 Ca -0.05 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3dwp s THR 21 Cb -0.07 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.23 3dwp s THR 21 CO 0.00 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 3dwp n GLY 22 N 3.95 2.65 2.97 4.40 0.00 -0.82 -5.02 105.19 113.31 3dwp n GLY 22 Ca -0.25 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 3dwp n GLY 22 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dwp s GLN 23 N -0.70 0.28 -0.11 1.61 0.74 -1.26 -1.69 119.66 118.53 3dwp s GLN 23 Ca 0.00 -0.48 -0.06 0.00 0.05 0.00 0.00 55.36 54.87 3dwp s GLN 23 Cb 0.00 0.01 0.04 0.00 1.10 0.00 0.00 33.01 34.16 3dwp s GLN 23 CO 0.00 -0.02 0.26 -1.50 -0.55 0.00 0.00 175.29 173.49 3dwp s ILE 24 N -1.07 -0.03 -1.30 -2.34 2.07 -0.38 -4.95 121.20 113.19 3dwp s ILE 24 Ca -0.11 0.11 -0.15 0.00 -1.41 0.00 0.00 60.65 59.09 3dwp s ILE 24 Cb -0.07 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.13 3dwp s ILE 24 CO -0.01 0.04 0.53 0.47 -1.91 0.00 0.00 174.94 174.07 3dwp n ASP 25 N 3.92 -2.52 -1.35 4.50 8.00 -1.26 -1.08 116.55 126.77 3dwp n ASP 25 Ca -0.22 -1.12 -0.16 0.00 0.71 0.00 0.00 54.79 54.00 3dwp n ASP 25 Cb 0.54 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.12 38.98 3dwp n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3dwp n ASN 26 N -2.68 -4.83 -3.87 -2.24 4.05 -1.26 -5.00 115.26 99.43 3dwp n ASN 26 Ca -0.20 0.28 -0.23 0.00 0.45 0.00 0.00 54.58 54.88 3dwp n ASN 26 Cb 0.63 -3.77 -0.17 0.00 1.23 0.00 0.00 39.78 37.70 3dwp n ASN 26 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3dwp s LYS 27 N -3.69 1.03 0.42 1.20 1.02 -0.24 -5.12 119.74 114.35 3dwp s LYS 27 Ca 0.00 -0.11 -0.25 0.00 0.02 0.00 0.00 55.97 55.64 3dwp s LYS 27 Cb 0.00 -1.13 -0.08 0.00 -0.52 0.00 0.00 37.83 36.09 3dwp s LYS 27 CO 0.00 -0.19 1.17 -1.25 -0.92 0.00 0.00 175.35 174.16 3dwp s PRO 28 N 1.43 3.97 0.05 -1.68 0.04 -1.26 -1.26 135.00 136.29 3dwp s PRO 28 Ca -0.02 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 3dwp s PRO 28 Cb -0.13 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 3dwp s PRO 28 CO -0.03 -0.39 0.00 1.52 0.04 0.00 0.00 177.00 178.14 3dwp s TYR 29 N -1.45 0.41 0.26 0.56 -0.85 -0.68 -0.83 117.35 114.76 3dwp s TYR 29 Ca 0.59 -0.87 0.07 0.00 -0.52 0.00 0.00 57.07 56.33 3dwp s TYR 29 Cb -0.30 -0.30 -0.05 0.00 0.38 0.00 0.00 41.96 41.69 3dwp s TYR 29 CO 0.37 -0.36 -0.08 -0.59 -1.52 0.00 0.00 175.55 173.38 3dwp s PHE 30 N -3.35 1.88 -0.04 -3.49 -0.12 0.09 -1.95 117.98 111.00 3dwp s PHE 30 Ca 0.02 -0.67 -0.04 0.00 -0.05 0.00 0.00 56.93 56.18 3dwp s PHE 30 Cb 0.04 -1.02 0.01 0.00 -0.63 0.00 0.00 43.02 41.41 3dwp s PHE 30 CO -0.08 0.29 0.11 0.00 -0.05 0.00 0.00 175.22 175.49 3dwp s ILE 32 N -0.04 1.85 -0.01 0.00 -4.36 -0.24 -0.89 121.20 117.51 3dwp s ILE 32 Ca -0.01 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 3dwp s ILE 32 Cb -0.01 -1.98 0.01 0.00 1.25 0.00 0.00 42.46 41.72 3dwp s ILE 32 CO 0.00 -0.46 -0.01 -0.70 0.24 0.00 0.00 174.94 174.01 3dwp s GLU 33 N -3.28 0.18 0.13 0.37 -6.30 -0.95 -2.15 118.70 106.70 3dwp s GLU 33 Ca 0.20 -0.01 0.01 0.00 -2.50 0.00 0.00 54.97 52.67 3dwp s GLU 33 Cb -0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 34.13 33.80 3dwp s GLU 33 CO 0.08 -0.02 -0.01 0.20 0.02 0.00 0.00 175.26 175.52 3dwp s GLY 34 N 0.34 0.96 -0.12 -1.50 0.00 -0.48 -1.24 107.32 105.29 3dwp s GLY 34 Ca -0.03 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.24 3dwp s GLY 34 CO -0.01 -1.45 -0.14 0.54 0.00 0.00 0.00 173.10 172.04 3dwp s LYS 35 N -3.92 3.23 0.70 2.90 -0.14 -0.29 -2.00 119.74 120.22 3dwp s LYS 35 Ca 0.19 -0.70 -0.11 0.00 -1.36 0.00 0.00 55.97 53.99 3dwp s LYS 35 Cb 0.06 -2.58 0.02 0.00 -1.68 0.00 0.00 37.83 33.66 3dwp s LYS 35 CO -0.01 0.28 1.08 -0.65 -0.76 0.00 0.00 175.35 175.29 3dwp s GLN 36 N 0.18 2.75 -0.24 1.68 -0.21 -0.40 -1.48 119.66 121.95 3dwp s GLN 36 Ca -0.08 0.35 -0.04 0.00 0.02 0.00 0.00 55.36 55.61 3dwp s GLN 36 Cb -0.15 -2.05 0.09 0.00 1.00 0.00 0.00 33.01 31.90 3dwp s GLN 36 CO 0.05 -1.06 0.13 0.45 -2.12 0.00 0.00 175.29 172.74 3dwp s SER 37 N -4.38 2.87 0.86 5.90 0.15 -1.26 0.11 113.70 117.94 3dwp s SER 37 Ca 0.58 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 56.28 3dwp s SER 37 Cb -0.11 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 3dwp s SER 37 CO 0.50 -0.40 0.00 0.00 1.20 0.00 0.00 173.24 174.55 3dwp n ALA 38 N 5.27 0.00 0.00 5.45 0.00 -1.26 -5.05 120.51 124.92 3dwp n ALA 38 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3dwp n ALA 38 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3dwp n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwp n GLY 39 N 0.00 1.01 3.87 0.00 0.00 0.30 -5.14 105.19 105.23 3dwp n GLY 39 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3dwp n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwp s SER 40 N -1.08 6.58 -0.04 1.61 1.04 -1.24 -4.72 113.70 115.85 3dwp s SER 40 Ca 0.00 1.10 -0.02 0.00 0.48 0.00 0.00 55.95 57.51 3dwp s SER 40 Cb 0.00 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 3dwp s SER 40 CO 0.00 -0.31 0.10 -0.44 0.98 0.00 0.00 173.24 173.57 3dwp s SER 41 N -2.89 5.88 -0.05 7.02 0.01 -1.26 -1.27 113.70 121.14 3dwp s SER 41 Ca 0.51 0.25 0.02 0.00 1.31 0.00 0.00 55.95 58.03 3dwp s SER 41 Cb -0.10 -1.76 0.01 0.00 0.21 0.00 0.00 66.02 64.38 3dwp s SER 41 CO 0.27 0.31 -0.08 -0.51 0.41 0.00 0.00 173.24 173.64 3dwp s ILE 42 N -1.14 0.81 0.08 1.44 1.10 -0.85 -5.01 121.20 117.63 3dwp s ILE 42 Ca 0.21 -0.30 0.08 0.00 -0.51 0.00 0.00 60.65 60.12 3dwp s ILE 42 Cb -0.12 -0.76 -0.04 0.00 0.15 0.00 0.00 42.46 41.69 3dwp s ILE 42 CO 0.11 0.28 -0.17 -0.44 -2.11 0.00 0.00 174.94 172.61 3dwp s SER 43 N 0.65 3.95 -0.09 4.50 0.01 -1.26 -1.38 113.70 120.08 3dwp s SER 43 Ca -0.11 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 56.51 3dwp s SER 43 Cb -0.14 -0.63 0.04 0.00 0.21 0.00 0.00 66.02 65.50 3dwp s SER 43 CO 0.02 0.21 0.41 0.00 0.41 0.00 0.00 173.24 174.29 3dwp s ALA 44 N -1.06 -1.04 0.05 1.44 0.00 -0.92 -4.65 121.76 115.58 3dwp s ALA 44 Ca 0.17 0.87 0.08 0.00 0.00 0.00 0.00 51.96 53.09 3dwp s ALA 44 Cb -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3dwp s ALA 44 CO 0.09 -0.25 -0.24 0.00 0.00 0.00 0.00 175.76 175.36 3dwp s SER 46 N -1.28 4.40 -0.05 0.00 0.15 -0.19 -0.98 113.70 115.74 3dwp s SER 46 Ca 0.10 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.56 3dwp s SER 46 Cb -0.09 -0.97 0.02 0.00 -1.71 0.00 0.00 66.02 63.27 3dwp s SER 46 CO 0.02 0.29 -0.06 -0.32 1.20 0.00 0.00 173.24 174.37 3dwp s MET 47 N -1.33 1.04 0.23 5.44 0.00 -1.26 -0.73 119.30 122.69 3dwp s MET 47 Ca 0.16 -0.17 -0.32 0.00 0.00 0.00 0.00 55.69 55.36 3dwp s MET 47 Cb -0.11 -1.01 -0.13 0.00 0.00 0.00 0.00 34.83 33.58 3dwp s MET 47 CO 0.06 -0.08 1.51 1.17 0.00 0.00 0.00 175.02 177.68 3dwp n LYS 48 N 4.10 2.25 -1.47 4.11 4.81 -0.01 -2.00 118.16 129.96 3dwp n LYS 48 Ca -0.23 0.81 -0.15 0.00 -0.87 0.00 0.00 58.31 57.87 3dwp n LYS 48 Cb 0.51 -2.53 -0.06 0.00 0.02 0.00 0.00 35.03 32.97 3dwp n LYS 48 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3dwp n ASN 49 N 2.60 -3.99 -4.70 3.14 5.03 -1.24 -4.74 115.26 111.37 3dwp n ASN 49 Ca 0.13 0.37 -0.32 0.00 0.87 0.00 0.00 54.58 55.63 3dwp n ASN 49 Cb 0.32 -3.65 0.14 0.00 -1.02 0.00 0.00 39.78 35.58 3dwp n ASN 49 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3dwp s SER 50 N -2.27 3.36 0.07 6.41 1.04 -0.85 -4.85 113.70 116.61 3dwp s SER 50 Ca 0.00 2.18 -0.36 0.00 0.48 0.00 0.00 55.95 58.25 3dwp s SER 50 Cb 0.00 -2.57 -0.19 0.00 0.10 0.00 0.00 66.02 63.36 3dwp s SER 50 CO 0.00 -2.81 1.55 -1.28 0.98 0.00 0.00 173.24 171.67 3dwp h SER 51 N -1.48 -1.22 0.12 7.02 0.87 -1.93 -2.35 113.55 114.58 3dwp h SER 51 Ca -0.44 0.07 -0.33 0.00 -1.23 0.00 0.00 61.79 59.85 3dwp h SER 51 Cb 1.27 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 63.57 3dwp h SER 51 CO 0.44 -0.75 -1.77 0.58 -0.53 0.00 0.00 176.83 174.80 3dwp h VAL 52 N -1.20 0.77 -0.24 2.23 2.07 -1.99 -3.41 116.25 114.48 3dwp h VAL 52 Ca -0.11 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.06 3dwp h VAL 52 Cb 0.96 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3dwp h VAL 52 CO 0.11 0.78 0.00 0.79 0.02 0.00 0.00 177.57 179.28 3dwp n TRP 53 N -3.70 0.38 0.20 1.57 7.02 -1.26 -4.62 117.44 117.02 3dwp n TRP 53 Ca -0.30 -0.56 0.06 0.00 -1.02 0.00 0.00 57.50 55.68 3dwp n TRP 53 Cb 0.98 -0.07 0.40 0.00 -2.42 0.00 0.00 31.31 30.20 3dwp n TRP 53 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3dwp h GLY 54 N 1.40 0.00 1.47 6.99 0.00 -1.63 -2.92 103.07 108.38 3dwp h GLY 54 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3dwp h GLY 54 CO 0.02 0.00 0.21 0.00 0.00 0.00 0.00 176.54 176.78 3dwp h ALA 55 N 1.66 1.83 -0.01 3.60 0.00 -1.82 -2.53 119.26 121.99 3dwp h ALA 55 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dwp h ALA 55 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3dwp h ALA 55 CO 0.04 -0.31 -0.48 0.43 0.00 0.00 0.00 179.25 178.93 3dwp n SER 56 N -3.81 1.00 -0.23 0.00 7.64 -1.10 -4.62 113.62 112.49 3dwp n SER 56 Ca 0.02 -0.79 -0.10 0.00 1.01 0.00 0.00 58.87 59.01 3dwp n SER 56 Cb 0.34 0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.83 3dwp n SER 56 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3dwp h PHE 57 N 0.81 -1.46 -0.34 1.43 3.57 -1.59 -1.11 116.94 118.26 3dwp h PHE 57 Ca 0.00 0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 3dwp h PHE 57 Cb 0.54 0.72 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 3dwp h PHE 57 CO 0.00 -0.43 -0.29 0.66 -2.23 0.00 0.00 178.31 176.01 3dwp h SER 58 N -0.23 0.73 -0.17 0.41 4.64 -1.84 0.10 113.55 117.20 3dwp h SER 58 Ca 0.16 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3dwp h SER 58 Cb 0.55 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3dwp h SER 58 CO -0.72 0.98 0.02 0.74 -0.87 0.00 0.00 176.83 176.98 3dwp h THR 59 N 0.61 1.24 -0.26 2.95 2.02 -1.83 -2.60 112.91 115.02 3dwp h THR 59 Ca 0.07 -0.77 -0.13 0.00 0.77 0.00 0.00 66.41 66.35 3dwp h THR 59 Cb 0.80 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3dwp h THR 59 CO 0.07 0.23 -0.39 -0.07 0.37 0.00 0.00 175.52 175.73 3dwp h LEU 60 N 0.06 0.65 0.25 2.58 3.38 -1.03 -1.53 115.31 119.68 3dwp h LEU 60 Ca 0.05 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3dwp h LEU 60 Cb 0.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3dwp h LEU 60 CO 0.01 0.97 -0.24 0.22 0.09 0.00 0.00 178.44 179.49 3dwp h TYR 61 N 0.51 -0.63 -0.00 1.13 3.20 -0.77 0.29 116.97 120.70 3dwp h TYR 61 Ca 0.05 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.95 3dwp h TYR 61 Cb 0.90 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 3dwp h TYR 61 CO 0.04 -0.35 -0.25 -0.91 -1.64 0.00 0.00 178.16 175.05 3dwp h ASN 62 N -0.52 -0.73 -0.34 -2.11 2.35 -1.40 -1.18 115.58 111.66 3dwp h ASN 62 Ca -0.01 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3dwp h ASN 62 Cb 0.48 0.30 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 3dwp h ASN 62 CO -0.04 -0.31 0.18 -0.61 -1.65 0.00 0.00 177.43 174.99 3dwp h GLN 63 N -0.38 0.48 -0.66 0.81 5.75 -1.21 -0.36 115.11 119.55 3dwp h GLN 63 Ca 0.06 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3dwp h GLN 63 Cb 0.47 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 3dwp h GLN 63 CO -0.22 0.42 0.26 0.00 -2.65 0.00 0.00 178.83 176.64 3dwp h ALA 64 N 1.04 0.86 -0.64 3.38 0.00 -0.30 -1.30 119.26 122.29 3dwp h ALA 64 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3dwp h ALA 64 Cb 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dwp h ALA 64 CO -0.02 0.49 0.08 1.25 0.00 0.00 0.00 179.25 181.05 3dwp h LEU 65 N 0.94 1.04 -0.05 0.00 5.85 -1.08 0.88 115.31 122.90 3dwp h LEU 65 Ca 0.22 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3dwp h LEU 65 Cb 0.22 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3dwp h LEU 65 CO -0.02 1.05 -0.24 0.22 -0.34 0.00 0.00 178.44 179.12 3dwp h TYR 66 N 1.00 -0.64 -0.16 1.25 3.20 -0.88 -1.80 116.97 118.94 3dwp h TYR 66 Ca 0.19 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 3dwp h TYR 66 Cb 0.47 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3dwp h TYR 66 CO 0.03 -0.33 -0.49 0.74 -1.64 0.00 0.00 178.16 176.48 3dwp h PHE 67 N -0.35 0.51 -0.99 -3.82 0.04 -1.01 -1.67 116.94 109.65 3dwp h PHE 67 Ca 0.08 -0.16 0.08 0.00 2.80 0.00 0.00 57.97 60.76 3dwp h PHE 67 Cb 0.46 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.43 3dwp h PHE 67 CO -0.30 0.83 0.63 -0.92 -0.60 0.00 0.00 178.31 177.94 3dwp h TYR 68 N 0.33 1.16 -0.19 -0.55 3.20 -0.78 -1.18 116.97 118.96 3dwp h TYR 68 Ca 0.02 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 3dwp h TYR 68 Cb 0.98 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3dwp h TYR 68 CO 0.03 0.57 -0.13 1.15 -1.64 0.00 0.00 178.16 178.13 3dwp h THR 69 N 1.11 1.32 0.00 1.81 2.02 -0.75 -3.29 112.91 115.13 3dwp h THR 69 Ca 0.44 -1.24 -0.15 0.00 0.77 0.00 0.00 66.41 66.23 3dwp h THR 69 Cb 0.25 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3dwp h THR 69 CO -0.20 0.37 -0.72 0.71 0.37 0.00 0.00 175.52 176.06 3dwp h THR 70 N 0.11 1.34 -0.13 3.16 1.35 -1.28 -3.48 112.91 113.99 3dwp h THR 70 Ca 0.04 -2.63 -0.05 0.00 -0.55 0.00 0.00 66.41 63.22 3dwp h THR 70 Cb 0.64 2.49 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 3dwp h THR 70 CO 0.04 0.71 -0.05 0.61 -0.25 0.00 0.00 175.52 176.57 3dwp n GLY 71 N 0.96 0.55 3.79 5.82 0.00 -0.45 -5.02 105.19 110.84 3dwp n GLY 71 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3dwp n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dwp s GLN 72 N -1.39 3.87 0.13 1.61 -2.07 -1.25 -4.86 119.66 115.70 3dwp s GLN 72 Ca 0.00 1.46 -0.31 0.00 -1.82 0.00 0.00 55.36 54.69 3dwp s GLN 72 Cb 0.00 -2.24 -0.08 0.00 -1.09 0.00 0.00 33.01 29.60 3dwp s GLN 72 CO 0.00 -0.39 1.30 -2.14 -1.32 0.00 0.00 175.29 172.74 3dwp s PRO 73 N -2.98 4.39 0.10 9.60 0.02 -1.26 -4.60 135.00 140.27 3dwp s PRO 73 Ca 0.65 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.64 3dwp s PRO 73 Cb -0.20 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 3dwp s PRO 73 CO 0.24 -0.30 -0.04 0.14 -0.33 0.00 0.00 177.00 176.71 3dwp s VAL 74 N 0.70 0.54 -0.14 3.83 -7.23 0.27 -3.22 120.40 115.15 3dwp s VAL 74 Ca 0.60 -1.91 -0.20 0.00 -1.81 0.00 0.00 61.98 58.66 3dwp s VAL 74 Cb -0.34 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3dwp s VAL 74 CO 0.33 -0.80 0.55 -0.60 -0.31 0.00 0.00 175.10 174.26 3dwp s ARG 75 N -3.88 4.31 -0.27 4.82 3.52 0.38 -0.94 118.95 126.89 3dwp s ARG 75 Ca 0.14 0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 56.17 3dwp s ARG 75 Cb 0.06 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 3dwp s ARG 75 CO -0.04 0.03 0.20 0.42 -0.81 0.00 0.00 175.30 175.10 3dwp s ILE 76 N 1.03 5.31 -0.17 4.11 1.09 0.19 -1.97 121.20 130.80 3dwp s ILE 76 Ca 0.28 0.21 -0.12 0.00 -1.10 0.00 0.00 60.65 59.93 3dwp s ILE 76 Cb -0.16 -3.54 -0.05 0.00 -1.06 0.00 0.00 42.46 37.65 3dwp s ILE 76 CO 0.12 0.26 0.21 -0.31 -0.10 0.00 0.00 174.94 175.12 3dwp s TYR 77 N 1.64 3.46 0.08 3.97 2.02 -0.65 -1.18 117.35 126.68 3dwp s TYR 77 Ca 0.08 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 3dwp s TYR 77 Cb -0.15 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 3dwp s TYR 77 CO 0.10 0.31 -0.06 1.52 -1.57 0.00 0.00 175.55 175.85 3dwp s TYR 78 N 0.26 0.77 -0.23 2.71 -0.85 -0.54 -0.84 117.35 118.63 3dwp s TYR 78 Ca 0.13 -0.86 0.02 0.00 -0.52 0.00 0.00 57.07 55.84 3dwp s TYR 78 Cb -0.12 -0.47 0.05 0.00 0.38 0.00 0.00 41.96 41.81 3dwp s TYR 78 CO 0.02 -0.18 -0.10 -2.00 -1.52 0.00 0.00 175.55 171.77 3dwp s GLU 79 N -3.39 2.12 0.75 -3.49 2.56 0.00 -1.14 118.70 116.12 3dwp s GLU 79 Ca 0.06 -1.12 -0.13 0.00 0.00 0.00 0.00 54.97 53.79 3dwp s GLU 79 Cb 0.03 -2.70 0.05 0.00 2.00 0.00 0.00 34.13 33.51 3dwp s GLU 79 CO -0.05 -0.52 1.13 -1.25 -0.56 0.00 0.00 175.26 174.02 3dwp s PRO 80 N 1.24 2.19 -1.17 4.30 0.04 -1.26 -1.19 135.00 139.15 3dwp s PRO 80 Ca -0.05 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3dwp s PRO 80 Cb -0.18 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3dwp s PRO 80 CO -0.07 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.65 3dwp n GLY 81 N -0.37 1.23 0.10 0.56 0.00 -1.19 -4.86 105.19 100.67 3dwp n GLY 81 Ca 0.11 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 3dwp n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dwp h VAL 82 N 0.00 1.60 -3.36 1.61 2.07 -0.86 -3.45 116.25 113.85 3dwp h VAL 82 Ca -0.23 -2.25 -0.56 0.00 0.82 0.00 0.00 66.70 64.49 3dwp h VAL 82 Cb 0.72 3.06 -0.05 0.00 -1.52 0.00 0.00 31.29 33.51 3dwp h VAL 82 CO 0.33 0.62 0.07 0.26 0.02 0.00 0.00 177.57 178.86 3dwp s TRP 83 N -2.67 3.72 0.00 1.57 0.52 -0.44 -4.96 118.94 116.68 3dwp s TRP 83 Ca -0.16 1.34 0.00 0.00 0.02 0.00 0.00 56.10 57.30 3dwp s TRP 83 Cb -0.00 -2.70 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 3dwp s TRP 83 CO 0.76 0.34 0.00 0.25 0.02 0.00 0.00 176.95 178.32 3dwp n THR 84 N 2.64 0.00 -2.07 2.01 -2.24 -1.26 -4.51 114.28 108.85 3dwp n THR 84 Ca -0.05 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 3dwp n THR 84 Cb 0.51 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 3dwp n THR 84 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dwp s TYR 85 N -0.71 1.91 0.24 4.78 5.04 -1.26 -4.89 117.35 122.45 3dwp s TYR 85 Ca 0.00 0.64 -0.05 0.00 -2.44 0.00 0.00 57.07 55.22 3dwp s TYR 85 Cb 0.00 -4.16 0.38 0.00 0.35 0.00 0.00 41.96 38.52 3dwp s TYR 85 CO 0.00 -2.72 1.80 -1.35 -1.34 0.00 0.00 175.55 171.94 3dwp h PRO 86 N 12.62 0.70 0.00 4.97 0.11 -1.99 0.88 132.00 149.28 3dwp h PRO 86 Ca -0.32 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3dwp h PRO 86 Cb 1.16 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3dwp h PRO 86 CO 1.06 0.46 -0.04 -1.35 -0.21 0.00 0.00 178.00 177.92 3dwp h PRO 87 N 0.72 0.00 -0.13 1.05 0.11 -2.00 -1.00 132.00 130.76 3dwp h PRO 87 Ca 0.38 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.43 3dwp h PRO 87 Cb 0.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 3dwp h PRO 87 CO -0.25 0.04 -0.17 0.35 -0.21 0.00 0.00 178.00 177.76 3dwp h PHE 88 N 0.00 0.42 -0.91 0.65 3.57 -1.24 -2.63 116.94 116.79 3dwp h PHE 88 Ca -0.00 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 3dwp h PHE 88 Cb 0.09 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3dwp h PHE 88 CO 0.00 0.77 0.54 0.28 -2.23 0.00 0.00 178.31 177.68 3dwp h VAL 89 N -0.06 1.25 -0.24 1.41 2.07 -1.01 -1.03 116.25 118.64 3dwp h VAL 89 Ca 0.01 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3dwp h VAL 89 Cb 0.72 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3dwp h VAL 89 CO 0.04 0.27 0.07 0.50 0.02 0.00 0.00 177.57 178.47 3dwp h LYS 90 N 1.26 0.39 0.00 1.57 3.64 -1.20 -2.99 116.57 119.24 3dwp h LYS 90 Ca 0.33 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.46 3dwp h LYS 90 Cb -0.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3dwp h LYS 90 CO -0.06 0.48 -0.79 0.00 -2.27 0.00 0.00 179.45 176.81 3dwp h ALA 91 N 0.89 0.55 -3.00 5.00 0.00 -1.39 -3.45 119.26 117.86 3dwp h ALA 91 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3dwp h ALA 91 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dwp h ALA 91 CO -0.00 0.92 0.00 1.28 0.00 0.00 0.00 179.25 181.45 3dwp n LEU 92 N -3.25 0.00 -3.63 0.00 4.77 -0.40 -5.10 117.00 109.39 3dwp n LEU 92 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3dwp n LEU 92 Cb 0.83 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.91 3dwp n LEU 92 CO 0.43 0.00 0.81 0.28 -1.33 0.00 0.00 177.39 177.59 3dwp s THR 93 N 0.91 0.00 -0.92 -5.08 -1.32 -1.13 -4.95 115.64 103.14 3dwp s THR 93 Ca 0.00 -0.29 0.23 0.00 -1.21 0.00 0.00 61.69 60.42 3dwp s THR 93 Cb 0.00 -1.55 -0.12 0.00 -1.51 0.00 0.00 72.50 69.32 3dwp s THR 93 CO 0.00 0.00 1.12 -1.54 -2.21 0.00 0.00 174.62 171.99 3dwp n SER 94 N -0.35 0.72 -4.70 8.08 3.41 -1.26 -4.29 113.62 115.22 3dwp n SER 94 Ca -0.06 -0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 57.57 3dwp n SER 94 Cb 0.61 0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 3dwp n SER 94 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3dwp s ASN 95 N -3.17 6.89 0.01 4.04 0.01 -1.26 -0.42 114.94 121.04 3dwp s ASN 95 Ca 0.08 2.15 -0.21 0.00 -0.71 0.00 0.00 52.86 54.17 3dwp s ASN 95 Cb 0.16 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.20 3dwp s ASN 95 CO 0.79 -0.65 0.63 0.00 -1.51 0.00 0.00 177.10 176.36 3dwp s ALA 96 N 1.75 3.47 -0.07 0.60 0.00 -0.33 -1.35 121.76 125.83 3dwp s ALA 96 Ca 0.63 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 3dwp s ALA 96 Cb -0.32 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 3dwp s ALA 96 CO 0.28 0.17 1.03 -1.17 0.00 0.00 0.00 175.76 176.07 3dwp s LEU 97 N -0.27 4.28 0.00 0.00 2.96 -0.15 -0.82 118.68 124.69 3dwp s LEU 97 Ca 0.32 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 3dwp s LEU 97 Cb -0.19 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3dwp s LEU 97 CO 0.19 -0.41 0.34 1.33 -1.32 0.00 0.00 176.35 176.47 3dwp n VAL 98 N 4.37 0.00 0.00 1.68 0.24 -0.02 -4.72 118.33 119.88 3dwp n VAL 98 Ca 0.08 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3dwp n VAL 98 Cb 0.49 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 3dwp n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dwp n GLY 99 N 0.00 1.14 3.12 7.63 0.00 -1.17 -4.62 105.19 111.30 3dwp n GLY 99 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 3dwp n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwp s LEU 100 N 0.00 1.39 0.01 0.99 1.43 -1.26 -1.64 118.68 119.60 3dwp s LEU 100 Ca 0.00 -0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 3dwp s LEU 100 Cb 0.00 0.77 0.00 0.00 0.03 0.00 0.00 46.19 46.99 3dwp s LEU 100 CO 0.00 -0.33 0.17 -0.44 0.23 0.00 0.00 176.35 175.97 3dwp s SER 101 N -1.14 0.00 0.67 2.29 0.01 -0.83 -4.95 113.70 109.76 3dwp s SER 101 Ca -0.12 -0.20 -0.14 0.00 1.31 0.00 0.00 55.95 56.79 3dwp s SER 101 Cb -0.06 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.40 3dwp s SER 101 CO 0.02 -0.41 1.11 0.42 0.41 0.00 0.00 173.24 174.79 3dwp s THR 102 N -1.56 3.24 0.05 1.44 -4.23 -1.26 -0.47 115.64 112.84 3dwp s THR 102 Ca -0.13 0.55 0.06 0.00 -1.18 0.00 0.00 61.69 60.99 3dwp s THR 102 Cb -0.06 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 3dwp s THR 102 CO 0.01 -0.38 -0.18 0.00 -0.54 0.00 0.00 174.62 173.54 3dwp n THR 104 N 1.79 1.54 -3.80 0.00 5.66 0.14 -4.94 114.28 114.67 3dwp n THR 104 Ca -0.18 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.04 3dwp n THR 104 Cb 0.54 -0.95 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 3dwp n THR 104 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3dwp n THR 105 N -3.01 0.00 0.40 1.09 -2.24 -0.85 -4.98 114.28 104.69 3dwp n THR 105 Ca -0.28 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 3dwp n THR 105 Cb 1.09 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.82 3dwp n THR 105 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dwp h SER 106 N 0.00 0.00 0.00 3.42 4.64 -1.93 -3.34 113.55 116.34 3dwp h SER 106 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dwp h SER 106 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dwp h SER 106 CO 0.00 0.00 -0.53 1.07 -0.87 0.00 0.00 176.83 176.50 3dwp n THR 107 N -2.34 0.00 -3.34 2.95 5.66 -1.26 -2.10 114.28 113.85 3dwp n THR 107 Ca 0.02 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.63 3dwp n THR 107 Cb 0.25 -0.51 -0.09 0.00 -1.55 0.00 0.00 70.33 68.43 3dwp n THR 107 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dwp s GLU 108 N -1.52 4.02 0.05 1.09 0.41 -1.25 -4.89 118.70 116.60 3dwp s GLU 108 Ca 0.00 0.11 0.01 0.00 -0.41 0.00 0.00 54.97 54.68 3dwp s GLU 108 Cb 0.00 -3.66 -0.03 0.00 -1.78 0.00 0.00 34.13 28.66 3dwp s GLU 108 CO 0.00 -0.31 -0.05 0.00 -0.49 0.00 0.00 175.26 174.41 3dwp s PHE 110 N -2.77 3.03 0.00 0.00 5.36 -0.18 -4.90 117.98 118.52 3dwp s PHE 110 Ca -0.00 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 3dwp s PHE 110 Cb -0.00 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 39.12 3dwp s PHE 110 CO -0.04 -1.66 0.00 0.41 -1.46 0.00 0.00 175.22 172.47 3dwp n GLY 111 N 0.74 -1.33 3.79 13.12 0.00 -1.26 -4.68 105.19 115.58 3dwp n GLY 111 Ca 0.02 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 3dwp n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwp s PRO 112 N -0.25 2.55 0.49 1.61 0.04 -1.26 -5.05 135.00 133.11 3dwp s PRO 112 Ca 0.00 1.03 -0.18 0.00 0.04 0.00 0.00 61.00 61.88 3dwp s PRO 112 Cb 0.00 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 3dwp s PRO 112 CO 0.00 -1.40 0.98 -0.51 0.04 0.00 0.00 177.00 176.11 3dwp s ASP 113 N -3.61 6.67 -0.34 6.66 1.01 -1.26 -4.96 116.67 120.83 3dwp s ASP 113 Ca 0.60 1.66 0.01 0.00 0.71 0.00 0.00 52.55 55.53 3dwp s ASP 113 Cb -0.15 -2.53 0.11 0.00 1.01 0.00 0.00 42.92 41.35 3dwp s ASP 113 CO 0.55 -0.55 0.10 -0.60 0.21 0.00 0.00 175.17 174.89 3dwp s ARG 114 N -3.67 1.09 -0.14 8.23 3.52 -1.26 -4.48 118.95 122.23 3dwp s ARG 114 Ca 0.61 -1.51 -0.21 0.00 -0.13 0.00 0.00 55.73 54.48 3dwp s ARG 114 Cb -0.10 -2.49 0.05 0.00 -1.56 0.00 0.00 34.95 30.84 3dwp s ARG 114 CO 0.24 -1.00 0.54 -1.59 -0.81 0.00 0.00 175.30 172.69 3dwp s LYS 115 N 1.16 0.75 0.57 5.12 -2.85 -0.86 -3.11 119.74 120.51 3dwp s LYS 115 Ca 0.11 0.50 -0.18 0.00 -1.00 0.00 0.00 55.97 55.40 3dwp s LYS 115 Cb -0.19 0.35 -0.05 0.00 -2.06 0.00 0.00 37.83 35.89 3dwp s LYS 115 CO -0.16 -0.15 1.10 0.15 0.10 0.00 0.00 175.35 176.39 3dwp s LYS 116 N -0.31 3.29 0.00 1.78 1.02 -1.23 -3.04 119.74 121.26 3dwp s LYS 116 Ca -0.05 1.46 0.08 0.00 0.02 0.00 0.00 55.97 57.48 3dwp s LYS 116 Cb -0.03 -2.01 0.47 0.00 -0.52 0.00 0.00 37.83 35.73 3dwp s LYS 116 CO 0.03 -0.87 0.92 0.09 -0.92 0.00 0.00 175.35 174.61