#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 -0.78 0.18 -1.84 -0.00 -1.26 -5.01 118.94 110.23 3dwp s TRP 2 Ca 0.00 1.64 -0.05 0.00 -0.00 0.00 0.00 56.10 57.69 3dwp s TRP 2 Cb 0.00 0.45 0.30 0.00 -0.00 0.00 0.00 33.47 34.22 3dwp s TRP 2 CO 0.00 -0.39 0.99 2.41 -0.00 0.00 0.00 176.95 179.97 3dwp n THR 3 N 3.59 -0.27 1.92 5.86 -1.04 -1.26 -0.12 114.28 122.96 3dwp n THR 3 Ca -0.18 1.46 0.10 0.00 -2.04 0.00 0.00 64.05 63.39 3dwp n THR 3 Cb 0.58 -2.02 0.55 0.00 -1.82 0.00 0.00 70.33 67.61 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 -1.40 -0.86 3.61 3.41 0.00 -1.26 -4.61 105.19 104.08 3dwp n GLY 4 Ca 0.10 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.68 1.62 -4.15 1.61 8.00 0.83 -4.68 116.55 119.10 3dwp n ASP 5 Ca 0.15 1.18 -0.38 0.00 0.71 0.00 0.00 54.79 56.45 3dwp n ASP 5 Cb 0.09 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.12 39.82 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 0.20 3.11 -2.76 2.24 0.00 -1.26 -4.07 120.51 117.97 3dwp n ALA 6 Ca 0.08 -3.38 -0.10 0.00 0.00 0.00 0.00 53.44 50.04 3dwp n ALA 6 Cb 0.33 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.15 3dwp n ALA 6 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dwp s ARG 7 N 5.15 1.35 0.19 0.00 0.52 -1.21 -4.22 118.95 120.73 3dwp s ARG 7 Ca 0.59 -1.36 -0.31 0.00 -0.52 0.00 0.00 55.73 54.14 3dwp s ARG 7 Cb 0.07 0.39 -0.09 0.00 0.52 0.00 0.00 34.95 35.84 3dwp s ARG 7 CO 0.09 -0.51 1.41 -0.51 0.02 0.00 0.00 175.30 175.80 3dwp s ASP 8 N -3.05 6.75 0.00 0.23 1.01 -1.26 -2.17 116.67 118.18 3dwp s ASP 8 Ca 0.27 2.50 0.00 0.00 0.71 0.00 0.00 52.55 56.03 3dwp s ASP 8 Cb 0.03 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3dwp s ASP 8 CO 0.08 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.41 3dwp n GLY 9 N 2.77 1.72 3.24 0.21 0.00 -0.24 -4.37 105.19 108.51 3dwp n GLY 9 Ca 0.09 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.17 0.67 -0.14 1.61 0.23 -1.12 -1.91 119.30 117.47 3dwp s MET 10 Ca 0.00 -0.22 0.01 0.00 -1.03 0.00 0.00 55.69 54.45 3dwp s MET 10 Cb 0.00 0.30 0.02 0.00 -1.53 0.00 0.00 34.83 33.62 3dwp s MET 10 CO 0.00 -0.19 -0.15 -0.06 -2.03 0.00 0.00 175.02 172.59 3dwp s PHE 11 N -1.40 2.22 0.16 3.16 2.99 -0.17 -4.99 117.98 119.94 3dwp s PHE 11 Ca -0.13 -1.21 0.00 0.00 0.00 0.00 0.00 56.93 55.60 3dwp s PHE 11 Cb -0.05 -1.60 -0.04 0.00 0.00 0.00 0.00 43.02 41.33 3dwp s PHE 11 CO 0.04 -0.64 0.33 -1.12 -0.00 0.00 0.00 175.22 173.83 3dwp s SER 12 N 1.32 6.37 -1.28 1.36 0.01 -1.26 -0.75 113.70 119.47 3dwp s SER 12 Ca 0.02 0.32 -0.08 0.00 1.31 0.00 0.00 55.95 57.52 3dwp s SER 12 Cb -0.13 -1.97 0.01 0.00 0.21 0.00 0.00 66.02 64.13 3dwp s SER 12 CO -0.08 0.02 1.12 0.61 0.41 0.00 0.00 173.24 175.32 3dwp n GLY 13 N -0.44 -0.46 3.74 3.44 0.00 -0.98 -4.77 105.19 105.71 3dwp n GLY 13 Ca -0.05 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.31 5.21 -0.26 1.61 1.01 0.69 -4.38 120.40 120.97 3dwp s VAL 14 Ca 0.51 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 3dwp s VAL 14 Cb -0.22 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3dwp s VAL 14 CO 0.69 0.37 0.30 -0.69 0.00 0.00 0.00 175.10 175.78 3dwp s VAL 15 N 0.39 5.24 -0.33 2.92 1.01 -0.31 -0.35 120.40 128.97 3dwp s VAL 15 Ca 0.23 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 3dwp s VAL 15 Cb -0.15 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3dwp s VAL 15 CO 0.09 0.22 1.56 -0.63 0.00 0.00 0.00 175.10 176.34 3dwp s ILE 16 N 1.74 3.76 -0.04 2.22 1.01 -1.26 -0.12 121.20 128.51 3dwp s ILE 16 Ca 0.13 0.80 0.11 0.00 0.00 0.00 0.00 60.65 61.69 3dwp s ILE 16 Cb -0.15 -3.91 -0.17 0.00 0.01 0.00 0.00 42.46 38.23 3dwp s ILE 16 CO 0.09 -0.51 0.21 0.35 0.00 0.00 0.00 174.94 175.08 3dwp n THR 17 N 6.90 0.16 -4.03 2.92 -2.24 0.13 -4.65 114.28 113.47 3dwp n THR 17 Ca 0.19 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3dwp n THR 17 Cb 0.47 0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.70 0.36 -0.03 -0.78 -1.52 -0.88 -4.98 119.66 109.12 3dwp s GLN 18 Ca -0.05 -0.48 -0.01 0.00 -1.95 0.00 0.00 55.36 52.87 3dwp s GLN 18 Cb 0.07 -0.16 0.03 0.00 -0.22 0.00 0.00 33.01 32.73 3dwp s GLN 18 CO 0.48 0.03 0.06 0.12 -0.25 0.00 0.00 175.29 175.72 3dwp s PHE 19 N -0.92 0.03 0.04 0.91 5.36 -1.26 -1.33 117.98 120.80 3dwp s PHE 19 Ca -0.08 0.23 0.06 0.00 -0.96 0.00 0.00 56.93 56.19 3dwp s PHE 19 Cb -0.07 -0.35 -0.02 0.00 -0.34 0.00 0.00 43.02 42.24 3dwp s PHE 19 CO -0.00 -0.15 -0.18 -1.58 -1.46 0.00 0.00 175.22 171.85 3dwp s HIS 20 N 1.68 1.55 -0.04 10.12 5.65 -0.36 -5.00 115.29 128.89 3dwp s HIS 20 Ca -0.02 -0.36 0.01 0.00 0.25 0.00 0.00 55.06 54.95 3dwp s HIS 20 Cb -0.12 -0.92 0.02 0.00 -1.18 0.00 0.00 32.58 30.37 3dwp s HIS 20 CO -0.03 0.07 -0.06 -0.08 -0.65 0.00 0.00 174.74 173.99 3dwp s THR 21 N -0.81 0.61 0.00 0.89 -1.32 -1.26 -0.83 115.64 112.92 3dwp s THR 21 Ca 0.05 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 3dwp s THR 21 Cb -0.08 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 3dwp s THR 21 CO 0.02 0.23 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 3dwp n GLY 22 N 3.78 3.95 2.96 6.08 0.00 -0.68 -5.02 105.19 116.26 3dwp n GLY 22 Ca -0.23 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 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 0.29 0.12 -0.06 1.61 0.74 -1.26 -1.20 119.66 119.90 3dwp s GLN 23 Ca 0.00 0.03 -0.03 0.00 0.05 0.00 0.00 55.36 55.41 3dwp s GLN 23 Cb 0.00 0.06 0.03 0.00 1.10 0.00 0.00 33.01 34.20 3dwp s GLN 23 CO 0.00 -0.02 0.15 -1.50 -0.55 0.00 0.00 175.29 173.37 3dwp s ILE 24 N -0.13 -0.04 -1.45 -2.34 2.07 -0.74 -4.93 121.20 113.64 3dwp s ILE 24 Ca -0.02 0.14 -0.02 0.00 -1.41 0.00 0.00 60.65 59.34 3dwp s ILE 24 Cb -0.02 -0.24 0.02 0.00 0.13 0.00 0.00 42.46 42.36 3dwp s ILE 24 CO 0.00 0.06 0.43 -0.67 -1.91 0.00 0.00 174.94 172.84 3dwp n ASP 25 N 3.93 -0.57 -0.68 4.50 2.03 -1.26 -1.63 116.55 122.88 3dwp n ASP 25 Ca -0.23 -1.03 -0.09 0.00 0.52 0.00 0.00 54.79 53.96 3dwp n ASP 25 Cb 0.53 -2.91 -0.04 0.00 -0.72 0.00 0.00 41.12 37.99 3dwp n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3dwp n ASN 26 N -2.94 -4.53 -4.01 1.67 5.15 -1.26 -4.99 115.26 104.35 3dwp n ASN 26 Ca -0.27 0.22 -0.30 0.00 -0.60 0.00 0.00 54.58 53.63 3dwp n ASN 26 Cb 0.66 -2.80 -0.16 0.00 -0.53 0.00 0.00 39.78 36.95 3dwp n ASN 26 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dwp s LYS 27 N -2.52 2.23 0.48 1.20 3.01 -0.65 -5.11 119.74 118.37 3dwp s LYS 27 Ca 0.00 -0.60 -0.23 0.00 -1.01 0.00 0.00 55.97 54.13 3dwp s LYS 27 Cb 0.00 -2.15 -0.07 0.00 -1.01 0.00 0.00 37.83 34.60 3dwp s LYS 27 CO 0.00 -0.27 1.29 -1.25 0.51 0.00 0.00 175.35 175.63 3dwp s PRO 28 N 1.48 3.59 0.11 -1.68 0.04 -1.26 -1.80 135.00 135.48 3dwp s PRO 28 Ca 0.04 2.08 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 3dwp s PRO 28 Cb -0.13 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 3dwp s PRO 28 CO -0.10 -0.78 0.09 1.52 0.04 0.00 0.00 177.00 177.77 3dwp s TYR 29 N -1.36 0.58 0.05 0.56 -0.85 -0.34 -1.12 117.35 114.87 3dwp s TYR 29 Ca 0.64 -1.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 3dwp s TYR 29 Cb -0.36 -0.32 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 3dwp s TYR 29 CO 0.44 -0.52 -0.04 -0.59 -1.52 0.00 0.00 175.55 173.32 3dwp s PHE 30 N -3.97 0.55 0.03 -3.49 -0.12 -0.37 -1.68 117.98 108.93 3dwp s PHE 30 Ca 0.15 -0.80 0.04 0.00 -0.05 0.00 0.00 56.93 56.27 3dwp s PHE 30 Cb 0.06 -0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.07 3dwp s PHE 30 CO -0.04 -0.23 -0.12 0.00 -0.05 0.00 0.00 175.22 174.78 3dwp s ILE 32 N -0.77 2.25 -0.03 0.00 -4.36 -0.71 -1.23 121.20 116.35 3dwp s ILE 32 Ca 0.00 -2.06 0.05 0.00 -0.26 0.00 0.00 60.65 58.38 3dwp s ILE 32 Cb -0.07 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 3dwp s ILE 32 CO 0.01 -0.21 -0.19 -0.70 0.24 0.00 0.00 174.94 174.09 3dwp s GLU 33 N -2.83 1.73 0.16 0.37 2.12 -0.44 -2.61 118.70 117.20 3dwp s GLU 33 Ca 0.21 -0.67 0.06 0.00 0.36 0.00 0.00 54.97 54.92 3dwp s GLU 33 Cb -0.07 -1.58 -0.04 0.00 0.26 0.00 0.00 34.13 32.70 3dwp s GLU 33 CO 0.10 0.34 -0.12 0.20 -0.54 0.00 0.00 175.26 175.24 3dwp s GLY 34 N -0.23 1.20 -0.10 -1.50 0.00 -0.38 0.19 107.32 106.49 3dwp s GLY 34 Ca 0.02 -1.51 -0.02 0.00 0.00 0.00 0.00 44.72 43.21 3dwp s GLY 34 CO 0.01 -1.60 -0.02 0.54 0.00 0.00 0.00 173.10 172.02 3dwp s LYS 35 N -3.50 3.08 0.66 2.90 -0.14 0.83 -1.28 119.74 122.29 3dwp s LYS 35 Ca 0.17 -0.46 -0.01 0.00 -1.36 0.00 0.00 55.97 54.31 3dwp s LYS 35 Cb -0.00 -2.78 0.08 0.00 -1.68 0.00 0.00 37.83 33.45 3dwp s LYS 35 CO 0.03 0.60 0.92 -0.65 -0.76 0.00 0.00 175.35 175.49 3dwp s GLN 36 N -0.60 2.08 0.47 1.68 -0.21 -0.26 -1.16 119.66 121.65 3dwp s GLN 36 Ca 0.10 -0.81 0.19 0.00 0.02 0.00 0.00 55.36 54.86 3dwp s GLN 36 Cb -0.12 -2.35 1.19 0.00 1.00 0.00 0.00 33.01 32.73 3dwp s GLN 36 CO 0.02 -1.15 1.96 0.77 -2.12 0.00 0.00 175.29 174.77 3dwp h SER 37 N -0.33 0.23 -0.15 5.90 0.02 -1.90 -1.51 113.55 115.81 3dwp h SER 37 Ca -0.40 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3dwp h SER 37 Cb 1.29 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3dwp h SER 37 CO 0.48 0.13 0.00 0.00 -1.14 0.00 0.00 176.83 176.30 3dwp n ALA 38 N -2.57 2.50 -0.00 3.77 0.00 -1.26 -4.94 120.51 118.01 3dwp n ALA 38 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3dwp n ALA 38 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 1.27 0.63 3.76 0.00 0.00 -0.57 -5.08 105.19 105.20 3dwp n GLY 39 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.74 7.56 0.08 1.61 1.04 -1.26 -4.82 113.70 115.17 3dwp s SER 40 Ca 0.00 1.89 -0.14 0.00 0.48 0.00 0.00 55.95 58.18 3dwp s SER 40 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 3dwp s SER 40 CO 0.00 0.13 0.47 -0.44 0.98 0.00 0.00 173.24 174.38 3dwp s SER 41 N -1.25 6.80 0.03 7.02 0.01 -1.26 -1.11 113.70 123.94 3dwp s SER 41 Ca 0.42 0.99 0.09 0.00 1.31 0.00 0.00 55.95 58.76 3dwp s SER 41 Cb -0.24 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 3dwp s SER 41 CO 0.30 0.20 -0.26 -0.51 0.41 0.00 0.00 173.24 173.37 3dwp s ILE 42 N -1.31 2.09 0.04 1.44 1.10 -0.40 -4.99 121.20 119.18 3dwp s ILE 42 Ca 0.32 -1.32 0.03 0.00 -0.51 0.00 0.00 60.65 59.17 3dwp s ILE 42 Cb -0.16 -1.78 -0.02 0.00 0.15 0.00 0.00 42.46 40.65 3dwp s ILE 42 CO 0.17 0.40 -0.10 -0.44 -2.11 0.00 0.00 174.94 172.86 3dwp s SER 43 N -1.11 1.21 -0.25 4.50 0.01 -1.26 -1.25 113.70 115.54 3dwp s SER 43 Ca 0.11 -0.50 -0.26 0.00 1.31 0.00 0.00 55.95 56.61 3dwp s SER 43 Cb -0.10 -0.02 0.08 0.00 0.21 0.00 0.00 66.02 66.18 3dwp s SER 43 CO 0.01 -0.10 0.77 0.00 0.41 0.00 0.00 173.24 174.33 3dwp s ALA 44 N -1.12 -1.81 0.03 1.44 0.00 -1.07 -4.66 121.76 114.56 3dwp s ALA 44 Ca -0.04 1.94 0.08 0.00 0.00 0.00 0.00 51.96 53.93 3dwp s ALA 44 Cb -0.09 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 3dwp s ALA 44 CO 0.01 -0.33 -0.22 0.00 0.00 0.00 0.00 175.76 175.23 3dwp s SER 46 N -1.26 3.64 -0.08 0.00 0.15 -0.21 -0.59 113.70 115.36 3dwp s SER 46 Ca 0.13 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.45 3dwp s SER 46 Cb -0.10 -1.06 0.01 0.00 -1.71 0.00 0.00 66.02 63.15 3dwp s SER 46 CO 0.03 0.25 -0.17 -0.32 1.20 0.00 0.00 173.24 174.23 3dwp s MET 47 N -0.20 2.27 0.29 5.44 0.00 -1.26 -1.23 119.30 124.60 3dwp s MET 47 Ca -0.01 -0.61 -0.30 0.00 0.00 0.00 0.00 55.69 54.77 3dwp s MET 47 Cb -0.13 -1.78 -0.11 0.00 0.00 0.00 0.00 34.83 32.80 3dwp s MET 47 CO 0.03 0.10 1.57 0.21 0.00 0.00 0.00 175.02 176.92 3dwp s LYS 48 N 0.52 4.15 -1.36 4.11 2.20 -0.27 -2.68 119.74 126.40 3dwp s LYS 48 Ca -0.16 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 3dwp s LYS 48 Cb -0.17 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 3dwp s LYS 48 CO 0.06 -0.59 0.00 0.09 -0.36 0.00 0.00 175.35 174.55 3dwp n ASN 49 N 2.16 -3.94 -3.25 1.43 5.03 -1.24 -4.71 115.26 110.74 3dwp n ASN 49 Ca 0.08 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.79 3dwp n ASN 49 Cb 0.38 -3.50 0.00 0.00 -1.02 0.00 0.00 39.78 35.63 3dwp n ASN 49 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3dwp n SER 50 N -1.13 -0.60 0.00 6.41 3.41 -1.09 -4.93 113.62 115.69 3dwp n SER 50 Ca -0.15 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3dwp n SER 50 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3dwp n SER 50 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dwp n SER 51 N -1.31 0.00 0.21 4.04 7.64 -1.26 -4.38 113.62 118.55 3dwp n SER 51 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 3dwp n SER 51 Cb 0.00 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 63.53 3dwp n SER 51 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3dwp h VAL 52 N 0.00 0.46 -0.26 0.44 3.04 -1.99 -3.26 116.25 114.69 3dwp h VAL 52 Ca 0.00 -1.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.39 3dwp h VAL 52 Cb 0.00 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 3dwp h VAL 52 CO 0.00 0.22 0.00 0.79 -1.01 0.00 0.00 177.57 177.57 3dwp n TRP 53 N -3.26 0.32 0.08 3.17 7.02 -1.26 -4.55 117.44 118.96 3dwp n TRP 53 Ca 0.01 -0.17 0.12 0.00 -1.02 0.00 0.00 57.50 56.45 3dwp n TRP 53 Cb 0.51 -0.00 0.60 0.00 -2.42 0.00 0.00 31.31 30.00 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 4.47 0.19 2.00 6.99 0.00 -1.73 -2.71 103.07 112.26 3dwp h GLY 54 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3dwp h GLY 54 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.58 3dwp n ALA 55 N -2.56 1.33 0.72 3.60 0.00 -1.26 -2.19 120.51 120.14 3dwp n ALA 55 Ca 0.04 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.66 3dwp n ALA 55 Cb 0.30 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.56 3dwp n ALA 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dwp n SER 56 N -2.01 2.51 -0.23 0.00 7.64 -1.02 -4.70 113.62 115.81 3dwp n SER 56 Ca 0.01 -1.75 -0.02 0.00 1.01 0.00 0.00 58.87 58.12 3dwp n SER 56 Cb 0.11 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.35 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 3.50 -0.62 -0.14 1.43 3.57 -1.58 0.01 116.94 123.11 3dwp h PHE 57 Ca 0.00 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3dwp h PHE 57 Cb 0.75 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 3dwp h PHE 57 CO 0.01 -0.34 -0.00 0.77 -2.23 0.00 0.00 178.31 176.51 3dwp h SER 58 N -0.07 0.24 -0.12 0.41 0.02 -1.84 0.51 113.55 112.70 3dwp h SER 58 Ca 0.29 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3dwp h SER 58 Cb 0.53 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3dwp h SER 58 CO -0.71 0.50 0.02 0.74 -1.14 0.00 0.00 176.83 176.25 3dwp h THR 59 N -0.02 0.95 -0.67 -2.27 2.02 -1.86 -2.20 112.91 108.86 3dwp h THR 59 Ca 0.04 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 3dwp h THR 59 Cb 0.38 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3dwp h THR 59 CO 0.01 0.01 0.22 -0.07 0.37 0.00 0.00 175.52 176.07 3dwp h LEU 60 N 0.08 0.96 -0.04 2.58 3.38 -0.94 -0.42 115.31 120.91 3dwp h LEU 60 Ca 0.05 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3dwp h LEU 60 Cb 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3dwp h LEU 60 CO -0.07 0.90 -0.05 0.22 0.09 0.00 0.00 178.44 179.53 3dwp h TYR 61 N 0.96 -0.12 -0.37 1.13 3.20 -0.81 0.15 116.97 121.11 3dwp h TYR 61 Ca 0.22 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3dwp h TYR 61 Cb 0.27 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3dwp h TYR 61 CO 0.02 -0.08 0.16 -0.91 -1.64 0.00 0.00 178.16 175.71 3dwp h ASN 62 N -0.07 0.50 -0.47 -2.11 4.21 -1.20 -1.29 115.58 115.16 3dwp h ASN 62 Ca 0.03 -0.15 -0.14 0.00 1.21 0.00 0.00 56.30 57.26 3dwp h ASN 62 Cb 0.11 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.17 3dwp h ASN 62 CO -0.08 0.51 -0.23 -0.61 -1.29 0.00 0.00 177.43 175.73 3dwp h GLN 63 N 0.46 0.99 -0.31 0.81 5.75 -0.93 -0.76 115.11 121.12 3dwp h GLN 63 Ca 0.13 -0.43 -0.07 0.00 -0.15 0.00 0.00 58.65 58.12 3dwp h GLN 63 Cb 0.16 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 3dwp h GLN 63 CO -0.01 1.11 -0.10 0.00 -2.65 0.00 0.00 178.83 177.18 3dwp h ALA 64 N 0.85 0.42 -0.75 3.38 0.00 -0.69 -0.69 119.26 121.79 3dwp h ALA 64 Ca 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3dwp h ALA 64 Cb 0.82 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3dwp h ALA 64 CO 0.07 0.28 0.40 1.25 0.00 0.00 0.00 179.25 181.25 3dwp h LEU 65 N 0.37 0.94 -0.10 0.00 5.85 -1.23 -0.10 115.31 121.04 3dwp h LEU 65 Ca 0.07 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3dwp h LEU 65 Cb 0.60 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3dwp h LEU 65 CO 0.04 0.77 -0.16 0.22 -0.34 0.00 0.00 178.44 178.97 3dwp h TYR 66 N 1.04 -0.40 -0.08 1.25 3.20 -0.94 -2.21 116.97 118.83 3dwp h TYR 66 Ca 0.26 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 3dwp h TYR 66 Cb 0.05 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3dwp h TYR 66 CO 0.00 -0.23 -0.33 0.74 -1.64 0.00 0.00 178.16 176.70 3dwp h PHE 67 N -0.21 0.17 -0.65 -3.82 0.04 -0.91 -1.95 116.94 109.60 3dwp h PHE 67 Ca 0.08 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.86 3dwp h PHE 67 Cb 0.33 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 3dwp h PHE 67 CO -0.26 0.47 0.39 -0.92 -0.60 0.00 0.00 178.31 177.39 3dwp h TYR 68 N 0.13 0.73 -0.35 -0.55 3.20 -0.89 -1.17 116.97 118.08 3dwp h TYR 68 Ca 0.02 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3dwp h TYR 68 Cb 0.65 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3dwp h TYR 68 CO 0.01 0.39 -0.04 1.15 -1.64 0.00 0.00 178.16 178.03 3dwp h THR 69 N 0.75 1.27 0.00 1.81 2.02 -0.91 -3.21 112.91 114.64 3dwp h THR 69 Ca 0.27 -1.05 -0.16 0.00 0.77 0.00 0.00 66.41 66.25 3dwp h THR 69 Cb 0.08 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3dwp h THR 69 CO -0.13 0.35 -0.74 0.71 0.37 0.00 0.00 175.52 176.07 3dwp h THR 70 N 0.44 1.46 -0.12 3.16 1.35 -1.32 -3.47 112.91 114.41 3dwp h THR 70 Ca 0.09 -2.60 -0.05 0.00 -0.55 0.00 0.00 66.41 63.31 3dwp h THR 70 Cb 0.51 2.43 -0.02 0.00 -1.73 0.00 0.00 68.15 69.34 3dwp h THR 70 CO 0.02 0.73 -0.05 0.61 -0.25 0.00 0.00 175.52 176.58 3dwp n GLY 71 N 0.75 0.50 3.61 5.82 0.00 -0.45 -5.01 105.19 110.42 3dwp n GLY 71 Ca -0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3dwp n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dwp n GLN 72 N -1.56 1.38 -2.77 1.61 6.02 -1.25 -4.90 117.38 115.91 3dwp n GLN 72 Ca -0.03 0.49 -0.41 0.00 -0.01 0.00 0.00 57.00 57.05 3dwp n GLN 72 Cb 0.26 -2.04 -0.04 0.00 1.02 0.00 0.00 30.24 29.43 3dwp n GLN 72 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3dwp s PRO 73 N -1.98 4.59 0.16 -1.09 0.04 -1.26 -4.54 135.00 130.92 3dwp s PRO 73 Ca 0.63 1.35 0.01 0.00 0.04 0.00 0.00 61.00 63.02 3dwp s PRO 73 Cb -0.57 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 3dwp s PRO 73 CO 0.57 0.09 0.02 0.14 0.04 0.00 0.00 177.00 177.86 3dwp s VAL 74 N 0.52 0.50 -0.21 -0.36 -7.23 0.52 -3.18 120.40 110.98 3dwp s VAL 74 Ca 0.48 -1.96 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 3dwp s VAL 74 Cb -0.21 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3dwp s VAL 74 CO 0.27 -0.47 0.33 -0.60 -0.31 0.00 0.00 175.10 174.33 3dwp s ARG 75 N -3.96 4.16 -0.27 4.82 3.52 0.68 -0.23 118.95 127.68 3dwp s ARG 75 Ca 0.24 0.08 -0.13 0.00 -0.13 0.00 0.00 55.73 55.79 3dwp s ARG 75 Cb 0.07 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 3dwp s ARG 75 CO 0.03 0.02 0.28 0.42 -0.81 0.00 0.00 175.30 175.24 3dwp s ILE 76 N 1.15 5.24 -0.17 4.11 1.09 0.07 -2.15 121.20 130.54 3dwp s ILE 76 Ca 0.16 0.38 -0.09 0.00 -1.10 0.00 0.00 60.65 60.00 3dwp s ILE 76 Cb -0.14 -3.62 -0.05 0.00 -1.06 0.00 0.00 42.46 37.60 3dwp s ILE 76 CO 0.07 0.21 0.12 -0.31 -0.10 0.00 0.00 174.94 174.93 3dwp s TYR 77 N 1.86 3.45 0.06 3.97 2.02 -0.72 -0.99 117.35 127.00 3dwp s TYR 77 Ca 0.11 0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 57.14 3dwp s TYR 77 Cb -0.16 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 3dwp s TYR 77 CO 0.10 0.41 0.05 1.52 -1.57 0.00 0.00 175.55 176.06 3dwp s TYR 78 N -0.06 0.39 -0.18 2.71 -0.85 -0.80 -0.66 117.35 117.89 3dwp s TYR 78 Ca 0.10 -0.89 0.01 0.00 -0.52 0.00 0.00 57.07 55.77 3dwp s TYR 78 Cb -0.11 -0.27 0.03 0.00 0.38 0.00 0.00 41.96 41.99 3dwp s TYR 78 CO -0.00 -0.43 -0.12 -2.00 -1.52 0.00 0.00 175.55 171.47 3dwp s GLU 79 N -3.86 2.20 0.67 -3.49 2.12 -0.39 -1.08 118.70 114.87 3dwp s GLU 79 Ca 0.06 -0.77 -0.16 0.00 0.36 0.00 0.00 54.97 54.47 3dwp s GLU 79 Cb 0.07 -2.34 0.01 0.00 0.26 0.00 0.00 34.13 32.12 3dwp s GLU 79 CO -0.10 -0.35 1.15 -1.25 -0.54 0.00 0.00 175.26 174.17 3dwp s PRO 80 N 1.41 2.62 -0.54 4.30 0.04 -1.26 -1.51 135.00 140.06 3dwp s PRO 80 Ca 0.01 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3dwp s PRO 80 Cb -0.15 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3dwp s PRO 80 CO -0.09 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 175.93 3dwp n GLY 81 N -0.07 0.75 0.10 0.56 0.00 -1.12 -4.89 105.19 100.51 3dwp n GLY 81 Ca 0.12 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.40 1.61 2.07 -0.82 -3.44 116.25 113.87 3dwp h VAL 82 Ca -0.10 -2.21 -0.55 0.00 0.82 0.00 0.00 66.70 64.66 3dwp h VAL 82 Cb 0.45 3.03 -0.04 0.00 -1.52 0.00 0.00 31.29 33.21 3dwp h VAL 82 CO 0.15 0.60 0.21 0.26 0.02 0.00 0.00 177.57 178.82 3dwp s TRP 83 N -2.72 3.64 -0.03 1.57 0.52 -0.92 -4.95 118.94 116.05 3dwp s TRP 83 Ca -0.16 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.45 3dwp s TRP 83 Cb -0.00 -2.93 -0.02 0.00 -1.15 0.00 0.00 33.47 29.36 3dwp s TRP 83 CO 0.76 0.08 0.05 0.25 0.02 0.00 0.00 176.95 178.11 3dwp n THR 84 N 3.64 0.00 -2.13 2.01 -2.24 -1.26 -4.61 114.28 109.69 3dwp n THR 84 Ca 0.01 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 3dwp n THR 84 Cb 0.51 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.75 2.05 0.19 4.78 5.04 -1.26 -4.91 117.35 121.49 3dwp s TYR 85 Ca -0.00 0.62 -0.13 0.00 -2.44 0.00 0.00 57.07 55.12 3dwp s TYR 85 Cb 0.01 -4.15 0.20 0.00 0.35 0.00 0.00 41.96 38.37 3dwp s TYR 85 CO 0.08 -2.65 1.70 -1.35 -1.34 0.00 0.00 175.55 171.99 3dwp h PRO 86 N 11.75 0.19 -0.97 4.97 0.11 -1.99 -0.96 132.00 145.10 3dwp h PRO 86 Ca -0.32 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.87 3dwp h PRO 86 Cb 1.15 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 3dwp h PRO 86 CO 1.04 0.12 0.62 -1.35 -0.21 0.00 0.00 178.00 178.23 3dwp h PRO 87 N 0.19 1.02 0.24 1.05 0.11 -1.99 0.21 132.00 132.83 3dwp h PRO 87 Ca 0.25 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 3dwp h PRO 87 Cb 0.36 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3dwp h PRO 87 CO -0.36 0.67 -0.12 0.35 -0.21 0.00 0.00 178.00 178.33 3dwp h PHE 88 N 1.05 -0.30 -0.96 0.65 3.57 -1.63 -1.91 116.94 117.40 3dwp h PHE 88 Ca 0.44 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.98 3dwp h PHE 88 Cb 0.31 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 3dwp h PHE 88 CO -0.00 -0.05 0.63 0.28 -2.23 0.00 0.00 178.31 176.93 3dwp h VAL 89 N -0.52 1.12 0.15 1.41 2.07 -0.98 0.10 116.25 119.59 3dwp h VAL 89 Ca -0.03 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3dwp h VAL 89 Cb 0.38 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3dwp h VAL 89 CO 0.05 0.21 -0.07 0.50 0.02 0.00 0.00 177.57 178.29 3dwp h LYS 90 N 1.16 -0.19 -0.09 1.57 3.64 -0.89 -2.93 116.57 118.84 3dwp h LYS 90 Ca 0.40 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.68 3dwp h LYS 90 Cb 0.10 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3dwp h LYS 90 CO -0.14 0.05 -0.45 0.00 -2.27 0.00 0.00 179.45 176.64 3dwp h ALA 91 N 0.41 1.07 -3.00 5.00 0.00 -1.23 -3.45 119.26 118.07 3dwp h ALA 91 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dwp h ALA 91 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dwp h ALA 91 CO 0.03 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.18 3dwp n LEU 92 N -4.00 0.00 -3.67 0.00 4.77 0.01 -5.10 117.00 109.01 3dwp n LEU 92 Ca -0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.89 3dwp n LEU 92 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3dwp n LEU 92 CO 0.42 0.00 0.57 0.28 -1.33 0.00 0.00 177.39 177.33 3dwp s THR 93 N 1.47 0.00 -1.93 -5.08 -1.32 -1.11 -4.92 115.64 102.75 3dwp s THR 93 Ca 0.00 -0.51 0.24 0.00 -1.21 0.00 0.00 61.69 60.21 3dwp s THR 93 Cb 0.00 -1.61 0.13 0.00 -1.51 0.00 0.00 72.50 69.51 3dwp s THR 93 CO 0.00 0.00 1.33 -1.54 -2.21 0.00 0.00 174.62 172.20 3dwp n SER 94 N -0.41 1.57 -4.71 8.08 3.41 -1.26 -4.36 113.62 115.93 3dwp n SER 94 Ca -0.08 -1.23 -0.42 0.00 -0.26 0.00 0.00 58.87 56.88 3dwp n SER 94 Cb 0.61 0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 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 -2.47 7.14 -0.00 4.04 0.01 -1.26 -0.34 114.94 122.06 3dwp s ASN 95 Ca 0.22 1.96 -0.17 0.00 -0.71 0.00 0.00 52.86 54.16 3dwp s ASN 95 Cb 0.19 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.21 3dwp s ASN 95 CO 0.54 -0.41 0.48 0.00 -1.51 0.00 0.00 177.10 176.20 3dwp s ALA 96 N 0.95 3.61 -0.12 0.60 0.00 -0.57 -0.82 121.76 125.42 3dwp s ALA 96 Ca 0.57 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 3dwp s ALA 96 Cb -0.28 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 3dwp s ALA 96 CO 0.29 0.35 1.13 -1.17 0.00 0.00 0.00 175.76 176.36 3dwp s LEU 97 N -0.71 4.22 0.00 0.00 2.96 0.24 -1.26 118.68 124.13 3dwp s LEU 97 Ca 0.26 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.81 3dwp s LEU 97 Cb -0.17 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3dwp s LEU 97 CO 0.15 -0.59 0.46 1.33 -1.32 0.00 0.00 176.35 176.38 3dwp n VAL 98 N 4.86 0.04 0.00 1.68 0.24 0.17 -4.75 118.33 120.57 3dwp n VAL 98 Ca 0.11 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3dwp n VAL 98 Cb 0.47 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.02 1.38 3.20 7.63 0.00 -1.14 -4.60 105.19 111.64 3dwp n GLY 99 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 0.81 0.05 0.99 1.43 -1.26 -1.75 118.68 118.96 3dwp s LEU 100 Ca 0.00 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 3dwp s LEU 100 Cb 0.00 1.07 -0.03 0.00 0.03 0.00 0.00 46.19 47.26 3dwp s LEU 100 CO 0.00 -0.12 -0.07 -0.44 0.23 0.00 0.00 176.35 175.95 3dwp s SER 101 N 0.13 0.86 0.81 2.29 0.01 -0.91 -4.96 113.70 111.92 3dwp s SER 101 Ca -0.00 -0.65 -0.11 0.00 1.31 0.00 0.00 55.95 56.50 3dwp s SER 101 Cb -0.02 0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.34 3dwp s SER 101 CO 0.01 -0.28 1.09 0.42 0.41 0.00 0.00 173.24 174.89 3dwp s THR 102 N -1.92 3.13 0.05 1.44 -4.23 -1.26 -0.23 115.64 112.62 3dwp s THR 102 Ca -0.05 0.37 0.06 0.00 -1.18 0.00 0.00 61.69 60.89 3dwp s THR 102 Cb -0.06 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 3dwp s THR 102 CO -0.01 -0.48 -0.18 0.00 -0.54 0.00 0.00 174.62 173.41 3dwp n THR 104 N 1.78 1.61 -4.14 0.00 -2.24 0.78 -4.93 114.28 107.14 3dwp n THR 104 Ca -0.18 -0.79 -0.08 0.00 -2.27 0.00 0.00 64.05 60.73 3dwp n THR 104 Cb 0.54 -1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 3dwp n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dwp n THR 105 N -3.06 0.00 0.57 4.28 -2.24 -0.76 -4.97 114.28 108.10 3dwp n THR 105 Ca -0.18 -0.80 0.07 0.00 -2.27 0.00 0.00 64.05 60.87 3dwp n THR 105 Cb 1.05 0.33 0.34 0.00 -2.10 0.00 0.00 70.33 69.95 3dwp n THR 105 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dwp n SER 106 N -2.14 0.00 0.00 3.42 3.41 -1.26 -3.80 113.62 113.24 3dwp n SER 106 Ca -0.00 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 3dwp n SER 106 Cb 0.20 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3dwp n SER 106 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3dwp n THR 107 N -1.44 0.00 -3.49 6.66 5.66 -1.26 -2.67 114.28 117.74 3dwp n THR 107 Ca 0.05 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.66 3dwp n THR 107 Cb 0.16 -0.46 -0.10 0.00 -1.55 0.00 0.00 70.33 68.38 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 -1.48 3.98 0.09 1.09 0.41 -1.25 -4.90 118.70 116.65 3dwp s GLU 108 Ca 0.00 -0.14 0.03 0.00 -0.41 0.00 0.00 54.97 54.45 3dwp s GLU 108 Cb 0.00 -3.66 -0.04 0.00 -1.78 0.00 0.00 34.13 28.66 3dwp s GLU 108 CO 0.00 -0.23 -0.09 0.00 -0.49 0.00 0.00 175.26 174.45 3dwp s PHE 110 N -2.57 3.10 0.00 0.00 5.36 -0.51 -4.88 117.98 118.48 3dwp s PHE 110 Ca 0.05 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 3dwp s PHE 110 Cb -0.02 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 3dwp s PHE 110 CO -0.01 -1.44 0.00 0.41 -1.46 0.00 0.00 175.22 172.72 3dwp n GLY 111 N 0.76 -1.78 3.81 13.12 0.00 -1.26 -4.71 105.19 115.12 3dwp n GLY 111 Ca 0.02 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.03 2.97 0.43 1.61 0.04 -1.26 -5.05 135.00 133.71 3dwp s PRO 112 Ca 0.00 1.08 -0.22 0.00 0.04 0.00 0.00 61.00 61.90 3dwp s PRO 112 Cb 0.00 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 3dwp s PRO 112 CO 0.00 -1.08 0.99 -0.51 0.04 0.00 0.00 177.00 176.45 3dwp s ASP 113 N -3.38 6.78 -0.41 6.66 1.01 -1.26 -4.93 116.67 121.14 3dwp s ASP 113 Ca 0.60 1.85 0.03 0.00 0.71 0.00 0.00 52.55 55.74 3dwp s ASP 113 Cb -0.15 -2.56 0.11 0.00 1.01 0.00 0.00 42.92 41.33 3dwp s ASP 113 CO 0.49 -0.48 0.14 -0.60 0.21 0.00 0.00 175.17 174.93 3dwp s ARG 114 N -2.92 1.72 -0.19 8.23 3.52 -1.26 -4.52 118.95 123.53 3dwp s ARG 114 Ca 0.61 -2.08 -0.10 0.00 -0.13 0.00 0.00 55.73 54.04 3dwp s ARG 114 Cb -0.15 -3.31 0.07 0.00 -1.56 0.00 0.00 34.95 29.99 3dwp s ARG 114 CO 0.19 -1.01 0.45 0.21 -0.81 0.00 0.00 175.30 174.34 3dwp s LYS 115 N 0.61 0.43 0.15 5.12 2.20 -0.92 -2.80 119.74 124.53 3dwp s LYS 115 Ca 0.12 0.89 -0.34 0.00 -0.36 0.00 0.00 55.97 56.28 3dwp s LYS 115 Cb -0.21 0.05 -0.15 0.00 -1.51 0.00 0.00 37.83 36.01 3dwp s LYS 115 CO -0.05 -0.17 1.40 1.63 -0.36 0.00 0.00 175.35 177.80 3dwp n LYS 116 N 4.41 1.63 -0.81 4.03 5.02 -1.21 -3.35 118.16 127.88 3dwp n LYS 116 Ca -0.21 0.59 -0.31 0.00 -2.02 0.00 0.00 58.31 56.35 3dwp n LYS 116 Cb 0.55 -2.25 0.15 0.00 -0.02 0.00 0.00 35.03 33.46 3dwp n LYS 116 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3dwp s ASN 117 N 0.51 3.21 0.43 4.39 0.02 -1.26 -4.93 114.94 117.31 3dwp s ASN 117 Ca 0.78 2.14 0.03 0.00 -1.02 0.00 0.00 52.86 54.78 3dwp s ASN 117 Cb -0.79 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 37.92 3dwp s ASN 117 CO 0.45 -2.91 0.62 -0.94 0.02 0.00 0.00 177.10 174.35 3dwp s SER 118 N -2.78 5.77 -0.18 -1.22 1.04 -1.26 -5.09 113.70 109.98 3dwp s SER 118 Ca 0.66 0.06 -0.13 0.00 0.48 0.00 0.00 55.95 57.02 3dwp s SER 118 Cb -0.22 -1.28 -0.05 0.00 0.10 0.00 0.00 66.02 64.57 3dwp s SER 118 CO 0.57 -0.70 0.25 -0.22 0.98 0.00 0.00 173.24 174.12 3dwp s LEU 119 N -4.47 4.22 0.00 2.42 2.96 -1.26 -5.31 118.68 117.24 3dwp s LEU 119 Ca 0.49 0.41 0.31 0.00 -0.22 0.00 0.00 54.13 55.12 3dwp s LEU 119 Cb -0.10 -2.29 1.62 0.00 0.50 0.00 0.00 46.19 45.92 3dwp s LEU 119 CO 0.36 0.10 2.07 1.21 -1.32 0.00 0.00 176.35 178.77