#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlc s ARG 3 N 0.00 2.09 -0.10 -0.67 1.70 -1.26 -5.00 118.95 115.71 1wlc s ARG 3 Ca 0.00 1.53 -0.23 0.00 -0.47 0.00 0.00 55.73 56.56 1wlc s ARG 3 Cb 0.00 -1.85 -0.03 0.00 -0.57 0.00 0.00 34.95 32.50 1wlc s ARG 3 CO 0.00 -1.83 0.68 0.00 -1.08 0.00 0.00 175.30 173.07 1wlc s ALA 4 N -2.37 3.39 0.06 7.88 0.00 -1.15 -4.96 121.76 124.61 1wlc s ALA 4 Ca 0.69 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 1wlc s ALA 4 Cb -0.24 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1wlc s ALA 4 CO 0.49 -0.20 0.15 -1.83 0.00 0.00 0.00 175.76 174.37 1wlc s GLU 5 N 1.05 0.73 -0.21 0.00 -1.05 -1.26 -1.13 118.70 116.83 1wlc s GLU 5 Ca 0.35 -0.85 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 1wlc s GLU 5 Cb -0.17 0.29 0.02 0.00 -0.44 0.00 0.00 34.13 33.84 1wlc s GLU 5 CO 0.16 -0.21 -0.15 0.08 0.95 0.00 0.00 175.26 176.09 1wlc s VAL 6 N -3.25 2.35 -0.04 1.83 1.01 0.22 -4.99 120.40 117.53 1wlc s VAL 6 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1wlc s VAL 6 Cb 0.02 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1wlc s VAL 6 CO -0.08 0.38 -0.18 -0.60 0.00 0.00 0.00 175.10 174.63 1wlc s ARG 7 N 1.29 1.78 -1.89 2.72 3.52 -1.26 -0.89 118.95 124.21 1wlc s ARG 7 Ca 0.02 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1wlc s ARG 7 Cb -0.15 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 1wlc s ARG 7 CO -0.09 0.27 0.00 0.09 -0.81 0.00 0.00 175.30 174.76 1wlc n ASN 8 N 3.07 -5.28 -4.25 -2.12 5.03 0.97 -4.96 115.26 107.71 1wlc n ASN 8 Ca -0.18 0.36 -0.41 0.00 0.87 0.00 0.00 54.58 55.22 1wlc n ASN 8 Cb 0.53 -4.40 -0.09 0.00 -1.02 0.00 0.00 39.78 34.80 1wlc n ASN 8 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1wlc s ILE 9 N -2.74 4.32 0.17 2.41 1.01 -1.26 -5.06 121.20 120.04 1wlc s ILE 9 Ca 0.00 -1.58 -0.33 0.00 0.00 0.00 0.00 60.65 58.74 1wlc s ILE 9 Cb 0.00 -3.74 -0.13 0.00 0.01 0.00 0.00 42.46 38.59 1wlc s ILE 9 CO 0.00 -0.66 1.63 -2.65 0.00 0.00 0.00 174.94 173.26 1wlc n PRO 10 N 4.94 2.34 -3.26 2.79 -0.02 -1.26 -4.83 135.00 135.70 1wlc n PRO 10 Ca -0.09 0.84 -0.46 0.00 -2.02 0.00 0.00 63.50 61.77 1wlc n PRO 10 Cb 0.42 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.21 1wlc n PRO 10 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1wlc s PHE 11 N 1.08 3.22 0.34 6.00 5.36 -0.02 -4.91 117.98 129.05 1wlc s PHE 11 Ca 0.78 -1.26 0.08 0.00 -0.96 0.00 0.00 56.93 55.57 1wlc s PHE 11 Cb -0.63 -3.86 -0.03 0.00 -0.34 0.00 0.00 43.02 38.17 1wlc s PHE 11 CO 0.37 -1.09 0.28 0.15 -1.46 0.00 0.00 175.22 173.47 1wlc s LYS 12 N 1.78 2.67 0.14 10.12 1.02 -1.26 -1.70 119.74 132.50 1wlc s LYS 12 Ca 0.06 -1.34 -0.34 0.00 0.02 0.00 0.00 55.97 54.37 1wlc s LYS 12 Cb -0.27 -2.43 -0.14 0.00 -0.52 0.00 0.00 37.83 34.47 1wlc s LYS 12 CO 0.03 0.07 1.62 1.28 -0.92 0.00 0.00 175.35 177.43 1wlc n LEU 13 N -1.36 3.18 0.00 3.17 4.77 -0.65 -1.62 117.00 124.49 1wlc n LEU 13 Ca -0.02 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1wlc n LEU 13 Cb 0.60 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 1wlc n LEU 13 CO 0.43 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1wlc n GLY 14 N 3.55 0.67 3.93 -0.72 0.00 -1.25 -5.05 105.19 106.32 1wlc n GLY 14 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1wlc n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wlc s MET 15 N -0.77 2.61 0.03 1.61 -1.94 -0.64 -5.08 119.30 115.12 1wlc s MET 15 Ca 0.00 -0.22 0.07 0.00 -1.71 0.00 0.00 55.69 53.83 1wlc s MET 15 Cb 0.00 -2.27 -0.02 0.00 2.01 0.00 0.00 34.83 34.54 1wlc s MET 15 CO 0.00 -0.88 -0.22 0.45 -0.01 0.00 0.00 175.02 174.36 1wlc s SER 16 N -4.39 2.57 -0.23 3.03 0.15 -1.26 -4.56 113.70 108.99 1wlc s SER 16 Ca 0.56 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.72 1wlc s SER 16 Cb -0.11 -0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1wlc s SER 16 CO 0.44 0.19 -0.13 -0.22 1.20 0.00 0.00 173.24 174.72 1wlc s LEU 17 N -1.08 3.02 -0.19 3.45 2.96 0.02 -1.85 118.68 125.00 1wlc s LEU 17 Ca 0.08 -1.11 -0.03 0.00 -0.22 0.00 0.00 54.13 52.85 1wlc s LEU 17 Cb -0.09 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1wlc s LEU 17 CO 0.01 -0.13 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.96 1wlc s THR 18 N 1.19 3.33 -0.06 3.68 2.01 0.48 0.18 115.64 126.45 1wlc s THR 18 Ca -0.04 -0.53 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1wlc s THR 18 Cb -0.17 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1wlc s THR 18 CO -0.07 0.46 -0.22 0.68 -0.69 0.00 0.00 174.62 174.77 1wlc s VAL 19 N 1.08 2.32 0.07 3.82 -7.23 -0.30 -0.59 120.40 119.56 1wlc s VAL 19 Ca 0.01 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 1wlc s VAL 19 Cb -0.15 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 1wlc s VAL 19 CO -0.01 0.57 -0.21 -0.83 -0.31 0.00 0.00 175.10 174.31 1wlc s GLY 20 N -0.26 1.56 0.00 2.32 0.00 -0.90 -0.97 107.32 109.07 1wlc s GLY 20 Ca -0.00 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1wlc s GLY 20 CO 0.03 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.54 1wlc n GLY 21 N 1.36 2.84 2.76 0.20 0.00 -0.45 -0.58 105.19 111.32 1wlc n GLY 21 Ca -0.16 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 1wlc n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wlc s VAL 22 N -2.22 0.14 0.19 1.61 1.01 -0.72 -0.40 120.40 120.02 1wlc s VAL 22 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1wlc s VAL 22 Cb 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 36.00 1wlc s VAL 22 CO 0.00 0.18 1.18 -0.69 0.00 0.00 0.00 175.10 175.77 1wlc s VAL 23 N 1.58 3.62 0.82 2.92 1.01 -0.03 -2.33 120.40 127.99 1wlc s VAL 23 Ca -0.02 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.22 1wlc s VAL 23 Cb -0.13 -3.88 0.09 0.00 0.00 0.00 0.00 36.38 32.47 1wlc s VAL 23 CO -0.03 0.23 1.18 0.20 0.00 0.00 0.00 175.10 176.68 1wlc s ASN 24 N 0.05 3.53 0.26 3.32 0.02 -0.42 0.64 114.94 122.33 1wlc s ASN 24 Ca 0.52 2.29 -0.03 0.00 -1.02 0.00 0.00 52.86 54.62 1wlc s ASN 24 Cb -0.32 -2.58 0.33 0.00 0.02 0.00 0.00 41.25 38.70 1wlc s ASN 24 CO 0.37 -2.71 1.78 0.28 0.02 0.00 0.00 177.10 176.84 1wlc h SER 25 N -1.11 0.82 -0.51 -1.22 0.02 -1.89 -2.59 113.55 107.07 1wlc h SER 25 Ca -0.45 -0.17 -0.32 0.00 -0.84 0.00 0.00 61.79 60.00 1wlc h SER 25 Cb 1.28 -0.22 -0.20 0.00 0.14 0.00 0.00 62.40 63.41 1wlc h SER 25 CO 0.46 0.83 -0.16 0.59 -1.14 0.00 0.00 176.83 177.41 1wlc n ASN 26 N -4.24 3.61 -4.64 3.07 3.02 -1.26 -4.61 115.26 110.20 1wlc n ASN 26 Ca 0.04 -3.79 -0.44 0.00 -0.03 0.00 0.00 54.58 50.35 1wlc n ASN 26 Cb 0.26 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 1wlc n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wlc n ALA 27 N -1.01 0.53 -0.09 5.41 0.00 -0.98 -4.93 120.51 119.44 1wlc n ALA 27 Ca 0.39 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 54.02 1wlc n ALA 27 Cb 0.97 -2.16 -0.12 0.00 0.00 0.00 0.00 19.45 18.14 1wlc n ALA 27 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1wlc h THR 28 N 2.50 1.11 -1.94 0.00 1.35 -1.89 -3.41 112.91 110.63 1wlc h THR 28 Ca -0.43 -2.23 0.07 0.00 -0.55 0.00 0.00 66.41 63.27 1wlc h THR 28 Cb 1.31 2.50 -0.19 0.00 -1.73 0.00 0.00 68.15 70.04 1wlc h THR 28 CO 0.66 0.40 0.48 0.00 -0.25 0.00 0.00 175.52 176.81 1wlc s ARG 29 N -2.34 0.75 0.02 4.72 1.70 -1.26 -0.44 118.95 122.10 1wlc s ARG 29 Ca -0.26 -0.04 -0.07 0.00 -0.47 0.00 0.00 55.73 54.89 1wlc s ARG 29 Cb 0.04 0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1wlc s ARG 29 CO 0.62 -0.28 0.13 -0.59 -1.08 0.00 0.00 175.30 174.10 1wlc s PHE 30 N -2.00 0.09 0.14 5.89 -0.71 -0.97 -1.00 117.98 119.42 1wlc s PHE 30 Ca 0.00 -0.26 0.08 0.00 -1.04 0.00 0.00 56.93 55.71 1wlc s PHE 30 Cb -0.01 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1wlc s PHE 30 CO -0.02 -0.32 -0.19 -1.54 -1.34 0.00 0.00 175.22 171.82 1wlc s SER 31 N -1.64 2.54 -0.15 1.98 1.04 0.02 -0.42 113.70 117.06 1wlc s SER 31 Ca -0.12 -0.79 -0.07 0.00 0.48 0.00 0.00 55.95 55.45 1wlc s SER 31 Cb -0.06 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1wlc s SER 31 CO -0.01 -0.01 0.10 -0.63 0.98 0.00 0.00 173.24 173.67 1wlc s ILE 32 N -1.73 5.12 -0.03 -1.02 -1.09 -0.80 -1.73 121.20 119.92 1wlc s ILE 32 Ca 0.11 0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.64 1wlc s ILE 32 Cb -0.07 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1wlc s ILE 32 CO 0.05 0.53 -0.11 0.20 -1.23 0.00 0.00 174.94 174.39 1wlc s ASN 33 N -0.32 1.38 -0.13 3.58 0.01 0.54 -0.89 114.94 119.10 1wlc s ASN 33 Ca 0.10 -0.22 0.01 0.00 -0.71 0.00 0.00 52.86 52.04 1wlc s ASN 33 Cb -0.12 -0.35 0.02 0.00 0.41 0.00 0.00 41.25 41.21 1wlc s ASN 33 CO 0.01 0.09 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.86 1wlc s VAL 34 N 0.12 1.49 0.00 1.60 1.01 -0.53 -0.82 120.40 123.27 1wlc s VAL 34 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1wlc s VAL 34 Cb -0.09 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1wlc s VAL 34 CO 0.01 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1wlc n GLY 35 N 4.58 1.39 0.04 4.51 0.00 -0.33 -0.58 105.19 114.81 1wlc n GLY 35 Ca -0.17 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1wlc n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wlc n GLU 36 N 0.00 0.89 -3.84 1.61 4.71 0.24 -1.88 120.64 122.37 1wlc n GLU 36 Ca 0.00 0.04 -0.06 0.00 -0.01 0.00 0.00 57.16 57.13 1wlc n GLU 36 Cb 0.00 -1.18 0.02 0.00 -1.01 0.00 0.00 31.44 29.27 1wlc n GLU 36 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1wlc s SER 37 N -4.63 0.00 0.00 1.62 1.04 -0.78 -4.66 113.70 106.29 1wlc s SER 37 Ca -0.10 -0.93 0.15 0.00 0.48 0.00 0.00 55.95 55.56 1wlc s SER 37 Cb 0.03 0.69 0.75 0.00 0.10 0.00 0.00 66.02 67.58 1wlc s SER 37 CO 0.23 -1.37 1.44 0.35 0.98 0.00 0.00 173.24 174.87 1wlc n THR 38 N -0.61 0.64 -0.38 2.02 -2.24 -1.26 -1.99 114.28 110.46 1wlc n THR 38 Ca -0.06 0.16 0.03 0.00 -2.27 0.00 0.00 64.05 61.91 1wlc n THR 38 Cb 0.60 -0.91 0.04 0.00 -2.10 0.00 0.00 70.33 67.96 1wlc n THR 38 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wlc n ASP 39 N -1.32 1.95 -3.37 3.42 4.64 -1.26 -4.88 116.55 115.72 1wlc n ASP 39 Ca 0.07 -2.24 -0.17 0.00 -1.38 0.00 0.00 54.79 51.07 1wlc n ASP 39 Cb 0.13 -0.12 -0.08 0.00 -1.04 0.00 0.00 41.12 40.01 1wlc n ASP 39 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1wlc s SER 40 N -1.45 1.29 -0.13 1.67 0.15 -0.84 -1.86 113.70 112.52 1wlc s SER 40 Ca 0.09 -1.27 0.01 0.00 0.70 0.00 0.00 55.95 55.47 1wlc s SER 40 Cb 0.07 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 1wlc s SER 40 CO 0.01 -0.30 -0.15 -0.63 1.20 0.00 0.00 173.24 173.37 1wlc s ILE 41 N 1.77 1.57 0.03 6.45 1.01 -0.20 -0.60 121.20 131.23 1wlc s ILE 41 Ca 0.14 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.24 1wlc s ILE 41 Cb -0.15 -1.45 -0.18 0.00 0.01 0.00 0.00 42.46 40.69 1wlc s ILE 41 CO -0.14 0.46 1.10 0.00 0.00 0.00 0.00 174.94 176.36 1wlc h ALA 42 N 7.81 0.52 -2.87 9.38 0.00 -1.10 0.17 119.26 133.17 1wlc h ALA 42 Ca -0.36 -1.01 -0.49 0.00 0.00 0.00 0.00 54.91 53.05 1wlc h ALA 42 Cb 1.15 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.60 1wlc h ALA 42 CO 0.52 1.26 -0.76 1.41 0.00 0.00 0.00 179.25 181.67 1wlc s MET 43 N -2.72 0.14 -0.23 0.00 -2.45 -0.56 -4.52 119.30 108.97 1wlc s MET 43 Ca -0.00 -0.31 -0.09 0.00 -1.25 0.00 0.00 55.69 54.03 1wlc s MET 43 Cb 0.09 -1.42 -0.04 0.00 1.25 0.00 0.00 34.83 34.71 1wlc s MET 43 CO 0.81 -0.87 0.12 -1.58 1.05 0.00 0.00 175.02 174.56 1wlc s HIS 44 N 2.13 3.25 -0.22 4.11 2.46 0.51 -1.45 115.29 126.08 1wlc s HIS 44 Ca 0.06 0.07 0.02 0.00 0.47 0.00 0.00 55.06 55.68 1wlc s HIS 44 Cb -0.16 -2.22 0.04 0.00 -0.13 0.00 0.00 32.58 30.11 1wlc s HIS 44 CO -0.25 0.00 -0.13 1.41 -2.47 0.00 0.00 174.74 173.30 1wlc s MET 45 N 1.02 2.39 -0.16 2.88 -2.45 -0.07 -1.46 119.30 121.45 1wlc s MET 45 Ca 0.06 -1.04 -0.07 0.00 -1.25 0.00 0.00 55.69 53.39 1wlc s MET 45 Cb -0.14 -2.65 -0.04 0.00 1.25 0.00 0.00 34.83 33.25 1wlc s MET 45 CO 0.04 -0.42 0.07 0.34 1.05 0.00 0.00 175.02 176.10 1wlc s ASP 46 N 1.25 5.72 -0.44 1.11 2.15 0.56 -1.91 116.67 125.11 1wlc s ASP 46 Ca -0.03 0.15 -0.05 0.00 0.43 0.00 0.00 52.55 53.05 1wlc s ASP 46 Cb -0.17 -1.93 0.11 0.00 -0.30 0.00 0.00 42.92 40.64 1wlc s ASP 46 CO -0.08 0.23 0.26 -1.00 -0.17 0.00 0.00 175.17 174.41 1wlc s HIS 47 N 0.03 3.52 -0.50 -5.34 3.76 0.43 -1.42 115.29 115.77 1wlc s HIS 47 Ca 0.06 -2.21 -0.14 0.00 -0.15 0.00 0.00 55.06 52.63 1wlc s HIS 47 Cb -0.12 -3.34 0.11 0.00 1.11 0.00 0.00 32.58 30.34 1wlc s HIS 47 CO 0.01 -0.98 0.43 1.03 -0.85 0.00 0.00 174.74 174.37 1wlc s ARG 48 N 1.21 2.85 -0.10 1.40 0.52 -0.65 -2.28 118.95 121.90 1wlc s ARG 48 Ca 0.07 -1.63 -0.27 0.00 -0.52 0.00 0.00 55.73 53.38 1wlc s ARG 48 Cb -0.24 -4.15 -0.26 0.00 0.52 0.00 0.00 34.95 30.83 1wlc s ARG 48 CO -0.03 -1.21 0.88 0.74 0.02 0.00 0.00 175.30 175.70 1wlc h PHE 49 N 8.73 0.10 -2.41 -0.53 -1.00 -1.02 0.28 116.94 121.08 1wlc h PHE 49 Ca -0.27 -0.06 -0.17 0.00 2.81 0.00 0.00 57.97 60.27 1wlc h PHE 49 Cb 1.09 -0.01 -0.30 0.00 3.61 0.00 0.00 35.95 40.34 1wlc h PHE 49 CO 0.68 0.97 -0.48 0.45 -1.61 0.00 0.00 178.31 178.32 1wlc s SER 50 N -6.25 0.24 -0.29 2.17 0.15 -0.53 -2.69 113.70 106.50 1wlc s SER 50 Ca -0.18 0.51 0.05 0.00 0.70 0.00 0.00 55.95 57.03 1wlc s SER 50 Cb -0.01 0.99 0.19 0.00 -1.71 0.00 0.00 66.02 65.48 1wlc s SER 50 CO 0.71 -0.27 0.52 -0.47 1.20 0.00 0.00 173.24 174.94 1wlc s TYR 51 N 2.51 -1.55 0.00 3.44 5.04 0.69 -4.68 117.35 122.80 1wlc s TYR 51 Ca 0.05 0.81 0.00 0.00 -2.44 0.00 0.00 57.07 55.48 1wlc s TYR 51 Cb -0.13 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.32 1wlc s TYR 51 CO -0.12 -1.05 0.00 0.41 -1.34 0.00 0.00 175.55 173.44 1wlc n GLY 52 N 5.40 3.44 0.00 8.97 0.00 -1.26 0.07 105.19 121.80 1wlc n GLY 52 Ca 0.03 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1wlc n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wlc n ALA 53 N 11.90 2.49 -2.56 4.61 0.00 -1.26 -4.85 120.51 130.84 1wlc n ALA 53 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1wlc n ALA 53 Cb 0.00 -1.48 -0.08 0.00 0.00 0.00 0.00 19.45 17.90 1wlc n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wlc s ASP 54 N -2.39 6.35 -0.08 0.00 1.01 0.11 -5.04 116.67 116.62 1wlc s ASP 54 Ca 0.33 0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.62 1wlc s ASP 54 Cb 0.20 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.86 1wlc s ASP 54 CO 0.41 -0.51 -0.11 -1.10 0.21 0.00 0.00 175.17 174.08 1wlc s GLN 55 N 2.47 1.68 -1.27 8.23 -1.52 -1.26 -0.22 119.66 127.76 1wlc s GLN 55 Ca 0.20 -0.37 -0.05 0.00 -1.95 0.00 0.00 55.36 53.19 1wlc s GLN 55 Cb -0.15 -1.49 -0.01 0.00 -0.22 0.00 0.00 33.01 31.14 1wlc s GLN 55 CO 0.14 -0.07 0.69 0.09 -0.25 0.00 0.00 175.29 175.88 1wlc n ASN 56 N 4.18 -2.25 -4.09 5.90 4.13 0.92 -4.99 115.26 119.07 1wlc n ASN 56 Ca -0.20 -0.88 -0.18 0.00 1.68 0.00 0.00 54.58 55.01 1wlc n ASN 56 Cb 0.51 -3.84 -0.13 0.00 -1.54 0.00 0.00 39.78 34.78 1wlc n ASN 56 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1wlc s VAL 57 N -3.66 0.84 -0.11 2.41 0.11 -0.82 -4.77 120.40 114.41 1wlc s VAL 57 Ca 0.13 -0.87 -0.17 0.00 -2.93 0.00 0.00 61.98 58.14 1wlc s VAL 57 Cb -0.04 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1wlc s VAL 57 CO 0.83 -0.07 0.42 -0.76 -3.33 0.00 0.00 175.10 172.19 1wlc s LEU 58 N -1.06 4.30 -0.15 2.54 1.43 -0.10 -1.64 118.68 124.00 1wlc s LEU 58 Ca -0.01 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 1wlc s LEU 58 Cb -0.07 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1wlc s LEU 58 CO 0.01 0.08 -0.18 -0.69 0.23 0.00 0.00 176.35 175.80 1wlc s VAL 59 N 0.29 2.41 -0.02 -1.59 1.01 -0.51 -1.53 120.40 120.47 1wlc s VAL 59 Ca 0.23 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1wlc s VAL 59 Cb -0.15 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1wlc s VAL 59 CO 0.09 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.78 1wlc s LEU 60 N 0.86 2.53 0.22 3.92 1.02 0.46 -0.32 118.68 127.36 1wlc s LEU 60 Ca -0.05 -0.31 -0.22 0.00 0.02 0.00 0.00 54.13 53.57 1wlc s LEU 60 Cb -0.15 -1.49 0.06 0.00 0.02 0.00 0.00 46.19 44.63 1wlc s LEU 60 CO -0.02 0.32 0.93 0.21 0.02 0.00 0.00 176.35 177.81 1wlc s ASN 61 N -0.83 -0.09 0.22 2.29 3.84 -0.53 -0.17 114.94 119.66 1wlc s ASN 61 Ca 0.12 -0.65 0.11 0.00 0.21 0.00 0.00 52.86 52.65 1wlc s ASN 61 Cb -0.10 0.59 -0.05 0.00 -0.55 0.00 0.00 41.25 41.14 1wlc s ASN 61 CO 0.01 -1.13 -0.22 -0.94 -2.79 0.00 0.00 177.10 172.03 1wlc s SER 62 N -3.11 3.40 -0.11 -4.21 1.04 -1.26 -0.36 113.70 109.09 1wlc s SER 62 Ca 0.16 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1wlc s SER 62 Cb -0.03 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.85 1wlc s SER 62 CO 0.05 0.07 -0.09 -0.22 0.98 0.00 0.00 173.24 174.04 1wlc s LEU 63 N -2.98 1.29 -0.15 2.42 2.96 0.59 -1.57 118.68 121.25 1wlc s LEU 63 Ca 0.24 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 1wlc s LEU 63 Cb -0.07 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 1wlc s LEU 63 CO 0.11 -0.09 0.02 -0.69 -1.32 0.00 0.00 176.35 174.38 1wlc s VAL 64 N 1.50 4.40 0.08 1.68 1.01 -0.43 -1.03 120.40 127.61 1wlc s VAL 64 Ca 0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 61.98 61.48 1wlc s VAL 64 Cb -0.13 -2.93 -0.12 0.00 0.00 0.00 0.00 36.38 33.19 1wlc s VAL 64 CO -0.06 0.51 1.76 1.57 0.00 0.00 0.00 175.10 178.87 1wlc n HIS 65 N 3.21 2.42 -1.60 5.22 -0.00 -0.78 -1.25 115.22 122.43 1wlc n HIS 65 Ca -0.17 0.04 -0.19 0.00 0.46 0.00 0.00 57.72 57.86 1wlc n HIS 65 Cb 0.53 -2.64 -0.08 0.00 -0.12 0.00 0.00 29.99 27.68 1wlc n HIS 65 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1wlc n ASN 66 N 5.09 -5.29 0.08 0.26 4.05 -1.26 -4.72 115.26 113.47 1wlc n ASN 66 Ca 0.19 0.44 0.00 0.00 0.45 0.00 0.00 54.58 55.66 1wlc n ASN 66 Cb 0.32 -4.45 0.00 0.00 1.23 0.00 0.00 39.78 36.88 1wlc n ASN 66 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1wlc n VAL 67 N -2.55 0.61 0.00 3.44 0.31 -0.60 -5.18 118.33 114.36 1wlc n VAL 67 Ca -0.19 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1wlc n VAL 67 Cb 0.62 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1wlc n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wlc n GLY 68 N 2.59 0.74 3.76 2.92 0.00 -0.38 -4.98 105.19 109.85 1wlc n GLY 68 Ca 0.00 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 1wlc n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wlc s TRP 69 N -0.87 3.33 0.00 1.61 0.52 -1.26 -1.32 118.94 120.96 1wlc s TRP 69 Ca 0.00 1.60 0.00 0.00 0.02 0.00 0.00 56.10 57.72 1wlc s TRP 69 Cb 0.00 -3.39 0.00 0.00 -1.15 0.00 0.00 33.47 28.93 1wlc s TRP 69 CO 0.00 -1.02 0.00 1.04 0.02 0.00 0.00 176.95 176.99 1wlc n GLN 70 N 0.80 3.48 -2.51 4.98 1.13 -0.61 -4.98 117.38 119.68 1wlc n GLN 70 Ca 0.01 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1wlc n GLN 70 Cb 0.45 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.77 1wlc n GLN 70 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1wlc s GLN 71 N 3.05 4.38 0.42 -1.09 2.00 -1.26 -4.85 119.66 122.30 1wlc s GLN 71 Ca 0.00 1.62 -0.22 0.00 -2.00 0.00 0.00 55.36 54.76 1wlc s GLN 71 Cb 0.00 -3.53 -0.10 0.00 0.80 0.00 0.00 33.01 30.18 1wlc s GLN 71 CO 0.00 -0.39 0.99 -1.21 -0.50 0.00 0.00 175.29 174.19 1wlc s GLU 72 N 2.00 4.19 0.14 1.67 2.02 -1.26 -4.70 118.70 122.75 1wlc s GLU 72 Ca 0.55 1.30 0.11 0.00 0.02 0.00 0.00 54.97 56.95 1wlc s GLU 72 Cb -0.24 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 1wlc s GLU 72 CO 0.22 -0.09 -0.26 -1.21 0.02 0.00 0.00 175.26 173.95 1wlc s GLU 73 N -2.82 1.38 0.11 1.61 2.02 0.76 -4.97 118.70 116.79 1wlc s GLU 73 Ca 0.60 -1.35 0.04 0.00 0.02 0.00 0.00 54.97 54.28 1wlc s GLU 73 Cb -0.15 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 1wlc s GLU 73 CO 0.20 0.43 -0.10 1.03 0.02 0.00 0.00 175.26 176.83 1wlc s ARG 74 N -2.13 0.93 0.00 1.61 0.52 -1.26 -0.40 118.95 118.22 1wlc s ARG 74 Ca 0.14 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 1wlc s ARG 74 Cb -0.10 -0.56 -0.00 0.00 0.52 0.00 0.00 34.95 34.81 1wlc s ARG 74 CO 0.06 0.08 -0.02 0.45 0.02 0.00 0.00 175.30 175.90 1wlc s SER 75 N -2.72 0.17 0.00 0.23 0.15 -0.58 -4.99 113.70 105.96 1wlc s SER 75 Ca 0.10 -0.09 0.28 0.00 0.70 0.00 0.00 55.95 56.94 1wlc s SER 75 Cb -0.01 -0.00 1.06 0.00 -1.71 0.00 0.00 66.02 65.36 1wlc s SER 75 CO -0.00 -0.03 1.75 0.29 1.20 0.00 0.00 173.24 176.45 1wlc n LYS 76 N 2.84 1.54 -2.02 5.44 4.76 -1.26 -0.92 118.16 128.54 1wlc n LYS 76 Ca -0.14 -0.87 -0.42 0.00 -2.87 0.00 0.00 58.31 54.01 1wlc n LYS 76 Cb 0.59 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 1wlc n LYS 76 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wlc s LYS 77 N -2.06 4.20 -0.43 1.97 1.02 -1.26 -4.90 119.74 118.27 1wlc s LYS 77 Ca 0.37 2.19 0.07 0.00 0.02 0.00 0.00 55.97 58.62 1wlc s LYS 77 Cb 0.21 -3.87 0.24 0.00 -0.52 0.00 0.00 37.83 33.89 1wlc s LYS 77 CO 0.36 -0.79 0.67 0.34 -0.92 0.00 0.00 175.35 175.00 1wlc n PHE 78 N 6.65 -1.69 -1.38 3.18 -0.00 -1.26 -4.46 117.46 118.50 1wlc n PHE 78 Ca 0.17 -2.76 -0.35 0.00 -0.00 0.00 0.00 57.45 54.51 1wlc n PHE 78 Cb 0.42 0.49 -0.05 0.00 -0.00 0.00 0.00 39.48 40.35 1wlc n PHE 78 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1wlc n PRO 79 N 1.59 3.54 -4.03 -7.13 -0.04 -1.26 -4.87 135.00 122.79 1wlc n PRO 79 Ca 0.16 -2.23 -0.15 0.00 -0.04 0.00 0.00 63.50 61.24 1wlc n PRO 79 Cb 0.57 -2.62 -0.15 0.00 -0.04 0.00 0.00 33.50 31.26 1wlc n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wlc s PHE 80 N 1.28 0.32 -0.06 0.54 0.08 -1.26 -4.70 117.98 114.19 1wlc s PHE 80 Ca 0.66 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.67 1wlc s PHE 80 Cb 0.21 -0.27 0.02 0.00 -0.57 0.00 0.00 43.02 42.42 1wlc s PHE 80 CO -0.06 -0.04 -0.05 0.99 -0.10 0.00 0.00 175.22 175.95 1wlc s THR 81 N 0.23 0.64 0.23 0.64 2.01 -1.26 -5.11 115.64 113.03 1wlc s THR 81 Ca -0.02 -0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.52 1wlc s THR 81 Cb -0.05 -0.67 -0.14 0.00 0.01 0.00 0.00 72.50 71.65 1wlc s THR 81 CO -0.01 0.26 1.23 0.29 -0.69 0.00 0.00 174.62 175.70 1wlc n LYS 82 N 4.26 1.58 0.00 4.92 5.02 -1.26 -0.33 118.16 132.35 1wlc n LYS 82 Ca -0.21 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1wlc n LYS 82 Cb 0.51 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1wlc n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wlc n GLY 83 N 1.80 3.24 3.79 0.72 0.00 0.21 -4.81 105.19 110.14 1wlc n GLY 83 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1wlc n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wlc s ASP 84 N -0.89 5.46 0.58 1.61 -0.00 0.55 -4.75 116.67 119.23 1wlc s ASP 84 Ca 0.00 -0.17 -0.20 0.00 -0.00 0.00 0.00 52.55 52.18 1wlc s ASP 84 Cb 0.00 -1.40 -0.04 0.00 -0.00 0.00 0.00 42.92 41.48 1wlc s ASP 84 CO 0.00 0.06 1.30 -1.00 -0.00 0.00 0.00 175.17 175.52 1wlc s HIS 85 N -1.80 2.28 0.09 4.23 3.76 -1.26 -0.85 115.29 121.74 1wlc s HIS 85 Ca 0.31 1.45 -0.01 0.00 -0.15 0.00 0.00 55.06 56.66 1wlc s HIS 85 Cb -0.10 -3.68 -0.04 0.00 1.11 0.00 0.00 32.58 29.87 1wlc s HIS 85 CO 0.23 -2.68 -0.00 -0.59 -0.85 0.00 0.00 174.74 170.85 1wlc s PHE 86 N -1.40 0.71 -0.04 1.40 -0.71 0.46 -4.83 117.98 113.58 1wlc s PHE 86 Ca 0.75 -1.11 -0.02 0.00 -1.04 0.00 0.00 56.93 55.51 1wlc s PHE 86 Cb -0.37 -0.45 0.02 0.00 -1.21 0.00 0.00 43.02 41.01 1wlc s PHE 86 CO 0.42 -0.40 0.09 -1.14 -1.34 0.00 0.00 175.22 172.85 1wlc s GLN 87 N -3.96 0.08 -0.02 1.99 0.74 -1.26 -1.34 119.66 115.89 1wlc s GLN 87 Ca 0.14 0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.78 1wlc s GLN 87 Cb 0.07 -0.04 -0.01 0.00 1.10 0.00 0.00 33.01 34.13 1wlc s GLN 87 CO -0.05 -0.07 -0.15 0.42 -0.55 0.00 0.00 175.29 174.90 1wlc s ILE 88 N 0.44 1.19 -0.05 -2.34 1.01 -0.14 -1.98 121.20 119.33 1wlc s ILE 88 Ca -0.03 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.03 1wlc s ILE 88 Cb -0.05 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1wlc s ILE 88 CO -0.02 0.34 -0.21 -0.89 0.00 0.00 0.00 174.94 174.17 1wlc s THR 89 N -0.29 1.72 -0.05 2.92 2.01 -0.34 -1.15 115.64 120.46 1wlc s THR 89 Ca 0.04 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.21 1wlc s THR 89 Cb -0.07 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 1wlc s THR 89 CO -0.00 0.48 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.62 1wlc s ILE 90 N -0.06 1.40 0.31 1.82 1.01 0.13 -0.62 121.20 125.19 1wlc s ILE 90 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1wlc s ILE 90 Cb -0.12 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 1wlc s ILE 90 CO 0.03 0.41 0.09 0.42 0.00 0.00 0.00 174.94 175.89 1wlc s THR 91 N 0.12 0.79 -0.01 2.92 -4.23 -0.74 -0.80 115.64 113.69 1wlc s THR 91 Ca -0.06 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.16 1wlc s THR 91 Cb -0.12 -2.66 0.07 0.00 1.34 0.00 0.00 72.50 71.14 1wlc s THR 91 CO 0.03 0.00 0.69 0.72 -0.54 0.00 0.00 174.62 175.51 1wlc s PHE 92 N -3.50 -0.60 0.00 3.99 -0.71 -1.26 -0.42 117.98 115.48 1wlc s PHE 92 Ca 0.36 0.88 0.00 0.00 -1.04 0.00 0.00 56.93 57.12 1wlc s PHE 92 Cb 0.07 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.34 1wlc s PHE 92 CO 0.15 -0.65 0.00 -0.40 -1.34 0.00 0.00 175.22 172.98 1wlc n ASP 93 N 0.56 1.57 0.15 1.98 3.85 -0.69 -3.97 116.55 120.00 1wlc n ASP 93 Ca -0.18 -0.73 0.13 0.00 -0.71 0.00 0.00 54.79 53.30 1wlc n ASP 93 Cb 0.59 0.00 0.52 0.00 -1.35 0.00 0.00 41.12 40.88 1wlc n ASP 93 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1wlc h THR 94 N 0.73 0.00 0.00 2.12 1.35 -1.91 -3.05 112.91 112.15 1wlc h THR 94 Ca 0.00 -0.27 -0.25 0.00 -0.55 0.00 0.00 66.41 65.34 1wlc h THR 94 Cb 0.00 1.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.42 1wlc h THR 94 CO 0.00 0.00 -2.07 1.41 -0.25 0.00 0.00 175.52 174.61 1wlc n HIS 95 N -2.35 0.00 -3.86 4.73 8.25 -1.26 -4.14 115.22 116.58 1wlc n HIS 95 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 1wlc n HIS 95 Cb 0.24 -0.74 -0.12 0.00 1.12 0.00 0.00 29.99 30.49 1wlc n HIS 95 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1wlc s THR 96 N -2.54 0.03 -0.17 1.59 2.01 -1.15 -1.39 115.64 114.02 1wlc s THR 96 Ca -0.08 -0.26 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 1wlc s THR 96 Cb 0.06 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 1wlc s THR 96 CO 0.68 -0.14 0.29 -0.36 -0.69 0.00 0.00 174.62 174.40 1wlc s PHE 97 N -0.43 3.43 -0.35 4.92 0.08 0.15 -1.70 117.98 124.09 1wlc s PHE 97 Ca -0.05 0.56 -0.08 0.00 0.12 0.00 0.00 56.93 57.48 1wlc s PHE 97 Cb -0.03 -2.36 0.03 0.00 -0.57 0.00 0.00 43.02 40.09 1wlc s PHE 97 CO 0.00 0.19 0.14 0.71 -0.10 0.00 0.00 175.22 176.16 1wlc s TYR 98 N 0.64 3.24 -0.17 0.36 1.51 0.44 -1.47 117.35 121.90 1wlc s TYR 98 Ca 0.16 -1.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.04 1wlc s TYR 98 Cb -0.13 -2.34 -0.01 0.00 -0.11 0.00 0.00 41.96 39.37 1wlc s TYR 98 CO 0.04 -0.67 -0.12 0.42 -1.11 0.00 0.00 175.55 174.11 1wlc s ILE 99 N 1.48 2.92 -0.15 2.71 1.01 0.14 -1.79 121.20 127.52 1wlc s ILE 99 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1wlc s ILE 99 Cb -0.19 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 1wlc s ILE 99 CO 0.04 0.50 -0.12 -1.58 0.00 0.00 0.00 174.94 173.78 1wlc s GLN 100 N 0.90 3.35 0.85 2.79 0.74 0.21 -1.07 119.66 127.44 1wlc s GLN 100 Ca -0.03 -0.69 -0.10 0.00 0.05 0.00 0.00 55.36 54.60 1wlc s GLN 100 Cb -0.15 -2.69 0.16 0.00 1.10 0.00 0.00 33.01 31.43 1wlc s GLN 100 CO -0.01 0.12 1.18 -0.51 -0.55 0.00 0.00 175.29 175.52 1wlc s LEU 101 N 0.60 2.81 0.48 3.68 1.43 0.43 -1.20 118.68 126.91 1wlc s LEU 101 Ca -0.07 0.07 0.13 0.00 -1.03 0.00 0.00 54.13 53.23 1wlc s LEU 101 Cb -0.15 -2.28 1.12 0.00 0.03 0.00 0.00 46.19 44.90 1wlc s LEU 101 CO 0.03 -2.32 2.10 0.28 0.23 0.00 0.00 176.35 176.68 1wlc h SER 102 N -1.15 0.19 -0.32 2.29 0.02 -1.68 -2.38 113.55 110.52 1wlc h SER 102 Ca -0.42 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1wlc h SER 102 Cb 1.25 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1wlc h SER 102 CO 0.41 0.13 0.00 -0.46 -1.14 0.00 0.00 176.83 175.78 1wlc n ASN 103 N -4.51 2.32 0.00 3.07 6.94 -1.26 -4.86 115.26 116.96 1wlc n ASN 103 Ca 0.00 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 1wlc n ASN 103 Cb 0.12 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 1wlc n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wlc n GLY 104 N 1.24 1.23 3.76 4.83 0.00 -0.90 -5.05 105.19 110.31 1wlc n GLY 104 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1wlc n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wlc s GLU 105 N -0.52 2.70 0.14 1.61 2.02 -1.26 -4.72 118.70 118.68 1wlc s GLU 105 Ca 0.00 1.43 0.06 0.00 0.02 0.00 0.00 54.97 56.48 1wlc s GLU 105 Cb 0.00 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 1wlc s GLU 105 CO 0.00 -1.33 -0.14 0.95 0.02 0.00 0.00 175.26 174.75 1wlc s THR 106 N -2.31 1.44 0.06 3.63 -4.23 -1.26 -0.42 115.64 112.55 1wlc s THR 106 Ca 0.68 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 1wlc s THR 106 Cb -0.21 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 1wlc s THR 106 CO 0.42 -0.47 -0.10 0.68 -0.54 0.00 0.00 174.62 174.61 1wlc s VAL 107 N -2.40 0.77 0.08 2.29 -7.23 -0.23 -4.98 120.40 108.69 1wlc s VAL 107 Ca 0.13 -1.31 0.08 0.00 -1.81 0.00 0.00 61.98 59.06 1wlc s VAL 107 Cb -0.03 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 1wlc s VAL 107 CO 0.04 -0.42 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.60 1wlc s GLU 108 N -2.04 1.18 -0.07 4.82 8.01 -1.26 -0.68 118.70 128.65 1wlc s GLU 108 Ca -0.03 -1.07 -0.12 0.00 0.01 0.00 0.00 54.97 53.75 1wlc s GLU 108 Cb -0.07 -1.39 0.03 0.00 -4.31 0.00 0.00 34.13 28.39 1wlc s GLU 108 CO 0.00 0.33 0.30 0.12 0.01 0.00 0.00 175.26 176.03 1wlc s PHE 109 N -1.05 -0.26 0.35 1.61 5.36 -0.54 -4.97 117.98 118.48 1wlc s PHE 109 Ca 0.06 0.58 -0.27 0.00 -0.96 0.00 0.00 56.93 56.34 1wlc s PHE 109 Cb -0.10 0.10 -0.09 0.00 -0.34 0.00 0.00 43.02 42.59 1wlc s PHE 109 CO 0.03 -0.25 1.19 -1.25 -1.46 0.00 0.00 175.22 173.48 1wlc s PRO 110 N -0.45 4.28 -1.09 10.12 0.04 -1.26 0.30 135.00 146.95 1wlc s PRO 110 Ca -0.06 1.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.73 1wlc s PRO 110 Cb -0.04 -2.91 0.10 0.00 0.04 0.00 0.00 34.50 31.70 1wlc s PRO 110 CO 0.02 -0.15 1.41 1.21 0.04 0.00 0.00 177.00 179.52 1wlc s ASN 111 N -0.89 6.73 0.45 6.66 3.04 -0.48 -4.70 114.94 125.74 1wlc s ASN 111 Ca 0.52 -2.15 0.18 0.00 0.04 0.00 0.00 52.86 51.44 1wlc s ASN 111 Cb -0.33 -2.49 1.07 0.00 -1.54 0.00 0.00 41.25 37.96 1wlc s ASN 111 CO 0.43 -1.15 1.98 0.03 -3.04 0.00 0.00 177.10 175.35 1wlc h ARG 112 N 8.51 0.00 0.00 0.43 3.08 -1.86 -2.60 114.38 121.94 1wlc h ARG 112 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1wlc h ARG 112 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1wlc h ARG 112 CO 1.30 0.21 -0.69 0.09 -1.07 0.00 0.00 179.97 179.80 1wlc n ASN 113 N -4.07 0.61 -2.10 7.04 5.03 -1.26 -4.94 115.26 115.57 1wlc n ASN 113 Ca -0.02 -0.23 -0.15 0.00 0.87 0.00 0.00 54.58 55.05 1wlc n ASN 113 Cb 0.28 0.42 0.02 0.00 -1.02 0.00 0.00 39.78 39.48 1wlc n ASN 113 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1wlc n LYS 114 N -1.73 -3.11 -2.23 3.52 5.02 -0.98 -4.98 118.16 113.66 1wlc n LYS 114 Ca 0.04 0.65 -0.37 0.00 -2.02 0.00 0.00 58.31 56.61 1wlc n LYS 114 Cb 0.38 -4.94 -0.00 0.00 -0.02 0.00 0.00 35.03 30.45 1wlc n LYS 114 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wlc s ASP 115 N -2.73 6.05 0.00 4.39 -0.00 -1.26 -4.92 116.67 118.19 1wlc s ASP 115 Ca 0.18 2.31 0.09 0.00 -0.00 0.00 0.00 52.55 55.13 1wlc s ASP 115 Cb -0.08 -2.60 0.05 0.00 -0.00 0.00 0.00 42.92 40.28 1wlc s ASP 115 CO 0.22 -1.00 0.71 0.00 -0.00 0.00 0.00 175.17 175.10 1wlc n ALA 116 N -0.65 2.57 -3.51 5.23 0.00 -1.26 -4.67 120.51 118.21 1wlc n ALA 116 Ca 0.08 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 1wlc n ALA 116 Cb 0.48 -0.30 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 1wlc n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wlc s ALA 117 N -0.90 -1.81 -0.02 0.00 0.00 -1.26 -1.63 121.76 116.14 1wlc s ALA 117 Ca 0.09 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.21 1wlc s ALA 117 Cb 0.07 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1wlc s ALA 117 CO 0.14 -0.52 0.03 -0.06 0.00 0.00 0.00 175.76 175.36 1wlc s PHE 118 N -2.22 0.01 -1.70 0.00 0.08 -0.69 -4.94 117.98 108.52 1wlc s PHE 118 Ca -0.01 0.14 0.21 0.00 0.12 0.00 0.00 56.93 57.39 1wlc s PHE 118 Cb -0.01 -0.20 0.68 0.00 -0.57 0.00 0.00 43.02 42.92 1wlc s PHE 118 CO -0.02 -0.09 1.57 0.09 -0.10 0.00 0.00 175.22 176.67 1wlc n ASN 119 N 4.06 4.24 -3.71 1.36 4.13 -1.05 -0.84 115.26 123.46 1wlc n ASN 119 Ca -0.26 -2.14 -0.13 0.00 1.68 0.00 0.00 54.58 53.72 1wlc n ASN 119 Cb 0.51 -0.52 -0.13 0.00 -1.54 0.00 0.00 39.78 38.10 1wlc n ASN 119 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1wlc s LEU 120 N -1.27 0.20 -0.05 3.41 2.96 -0.79 -0.02 118.68 123.12 1wlc s LEU 120 Ca 0.50 0.52 0.04 0.00 -0.22 0.00 0.00 54.13 54.97 1wlc s LEU 120 Cb 0.28 0.67 0.00 0.00 0.50 0.00 0.00 46.19 47.64 1wlc s LEU 120 CO 0.31 -0.19 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.35 1wlc s ILE 121 N 1.64 1.41 0.04 6.68 1.01 -0.07 -1.19 121.20 130.72 1wlc s ILE 121 Ca -0.06 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1wlc s ILE 121 Cb -0.11 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.16 1wlc s ILE 121 CO -0.08 0.41 0.36 -0.72 0.00 0.00 0.00 174.94 174.91 1wlc s TYR 122 N 0.21 -0.20 -0.09 3.97 -0.85 -0.00 -0.61 117.35 119.79 1wlc s TYR 122 Ca -0.08 0.14 0.01 0.00 -0.52 0.00 0.00 57.07 56.62 1wlc s TYR 122 Cb -0.13 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.34 1wlc s TYR 122 CO 0.03 -0.52 -0.09 -1.17 -1.52 0.00 0.00 175.55 172.28 1wlc s LEU 123 N -1.94 3.01 0.16 -3.49 0.20 -0.28 -0.34 118.68 116.00 1wlc s LEU 123 Ca -0.06 -0.12 0.04 0.00 0.69 0.00 0.00 54.13 54.67 1wlc s LEU 123 Cb -0.01 -1.66 -0.05 0.00 -0.43 0.00 0.00 46.19 44.04 1wlc s LEU 123 CO -0.02 0.30 -0.07 0.00 -0.29 0.00 0.00 176.35 176.28 1wlc s ALA 124 N -0.44 1.44 0.00 5.97 0.00 -0.70 -2.96 121.76 125.07 1wlc s ALA 124 Ca 0.06 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1wlc s ALA 124 Cb -0.12 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1wlc s ALA 124 CO 0.02 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1wlc n GLY 125 N -0.22 -0.32 2.64 0.00 0.00 -1.26 -0.80 105.19 105.23 1wlc n GLY 125 Ca -0.09 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 1wlc n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wlc n ASP 126 N 0.38 7.15 -1.94 1.61 10.43 -0.17 -4.83 116.55 129.17 1wlc n ASP 126 Ca 0.00 -3.27 -0.04 0.00 2.57 0.00 0.00 54.79 54.05 1wlc n ASP 126 Cb 0.00 -1.34 0.01 0.00 1.84 0.00 0.00 41.12 41.63 1wlc n ASP 126 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wlc n ALA 127 N 1.79 -0.97 -3.17 2.24 0.00 -1.26 -1.30 120.51 117.84 1wlc n ALA 127 Ca 0.51 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1wlc n ALA 127 Cb 0.28 0.48 -0.09 0.00 0.00 0.00 0.00 19.45 20.11 1wlc n ALA 127 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1wlc s ARG 128 N -2.04 0.55 0.11 0.00 1.70 -0.98 -4.91 118.95 113.37 1wlc s ARG 128 Ca 0.09 -0.26 -0.07 0.00 -0.47 0.00 0.00 55.73 55.02 1wlc s ARG 128 Cb -0.02 0.24 -0.06 0.00 -0.57 0.00 0.00 34.95 34.54 1wlc s ARG 128 CO 0.05 -0.14 0.39 -0.51 -1.08 0.00 0.00 175.30 174.02 1wlc s LEU 129 N -1.25 4.30 -0.01 -1.89 1.43 -1.26 -1.75 118.68 118.25 1wlc s LEU 129 Ca -0.13 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 1wlc s LEU 129 Cb -0.06 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1wlc s LEU 129 CO 0.03 0.11 0.06 0.35 0.23 0.00 0.00 176.35 177.13 1wlc n THR 130 N 0.49 0.06 -3.76 5.49 -2.24 0.25 -4.92 114.28 109.64 1wlc n THR 130 Ca -0.05 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1wlc n THR 130 Cb 0.52 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 1wlc n THR 130 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1wlc s PHE 131 N -2.21 -0.03 -0.11 4.78 -0.71 -1.10 -4.98 117.98 113.62 1wlc s PHE 131 Ca -0.01 -0.31 -0.09 0.00 -1.04 0.00 0.00 56.93 55.48 1wlc s PHE 131 Cb 0.02 0.29 0.03 0.00 -1.21 0.00 0.00 43.02 42.15 1wlc s PHE 131 CO 0.15 -0.85 0.29 0.54 -1.34 0.00 0.00 175.22 174.00 1wlc s VAL 132 N -3.88 -0.01 -0.19 -2.49 0.11 -1.26 -2.12 120.40 110.56 1wlc s VAL 132 Ca 0.10 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1wlc s VAL 132 Cb 0.00 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 1wlc s VAL 132 CO -0.04 0.01 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.44 1wlc s ARG 133 N 0.46 2.98 -0.23 1.54 0.52 0.24 -4.99 118.95 119.46 1wlc s ARG 133 Ca -0.02 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 1wlc s ARG 133 Cb -0.04 -2.63 0.06 0.00 0.52 0.00 0.00 34.95 32.85 1wlc s ARG 133 CO -0.02 -0.23 -0.06 -1.17 0.02 0.00 0.00 175.30 173.84 1wlc s LEU 134 N 1.30 2.58 0.00 2.53 2.96 -1.26 -0.38 118.68 126.40 1wlc s LEU 134 Ca 0.04 -1.17 0.00 0.00 -0.22 0.00 0.00 54.13 52.78 1wlc s LEU 134 Cb -0.14 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1wlc s LEU 134 CO -0.12 -0.23 0.00 -1.84 -1.32 0.00 0.00 176.35 172.84