#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtl s ILE 2 N 0.00 4.86 -0.01 5.18 1.09 -1.26 -5.02 121.20 126.04 1wtl s ILE 2 Ca 0.00 1.95 -0.12 0.00 -1.10 0.00 0.00 60.65 61.38 1wtl s ILE 2 Cb 0.00 -4.27 -0.05 0.00 -1.06 0.00 0.00 42.46 37.07 1wtl s ILE 2 CO 0.00 0.10 0.35 -1.58 -0.10 0.00 0.00 174.94 173.71 1wtl s GLN 3 N 1.48 3.78 -0.15 2.79 0.74 -1.26 -4.71 119.66 122.33 1wtl s GLN 3 Ca 0.48 0.24 0.01 0.00 0.05 0.00 0.00 55.36 56.14 1wtl s GLN 3 Cb -0.19 -3.16 0.02 0.00 1.10 0.00 0.00 33.01 30.77 1wtl s GLN 3 CO 0.22 0.68 -0.17 -1.64 -0.55 0.00 0.00 175.29 173.83 1wtl s MET 4 N -1.27 2.53 -0.19 1.67 -1.94 -1.26 -0.03 119.30 118.81 1wtl s MET 4 Ca 0.24 -0.66 -0.06 0.00 -1.71 0.00 0.00 55.69 53.50 1wtl s MET 4 Cb -0.15 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 34.45 1wtl s MET 4 CO 0.13 -0.16 0.03 0.99 -0.01 0.00 0.00 175.02 176.00 1wtl s THR 5 N 1.24 4.45 -0.01 2.05 2.01 0.89 -4.24 115.64 122.02 1wtl s THR 5 Ca 0.01 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 61.91 1wtl s THR 5 Cb -0.14 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1wtl s THR 5 CO -0.08 0.45 -0.18 -1.58 -0.69 0.00 0.00 174.62 172.54 1wtl s GLN 6 N 0.57 1.47 0.03 4.92 0.74 -1.26 -1.33 119.66 124.79 1wtl s GLN 6 Ca 0.01 -0.65 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 1wtl s GLN 6 Cb -0.13 -1.42 -0.02 0.00 1.10 0.00 0.00 33.01 32.54 1wtl s GLN 6 CO 0.02 0.39 0.03 -1.54 -0.55 0.00 0.00 175.29 173.64 1wtl s SER 7 N -0.44 0.22 0.95 6.67 1.04 -0.80 -4.45 113.70 116.89 1wtl s SER 7 Ca 0.07 -0.54 -0.15 0.00 0.48 0.00 0.00 55.95 55.81 1wtl s SER 7 Cb -0.07 0.17 0.18 0.00 0.10 0.00 0.00 66.02 66.40 1wtl s SER 7 CO -0.01 -0.41 1.28 -2.16 0.98 0.00 0.00 173.24 172.92 1wtl s PRO 8 N -2.13 0.76 0.13 4.02 0.04 -1.26 -1.20 135.00 135.36 1wtl s PRO 8 Ca -0.09 -0.29 0.12 0.00 0.04 0.00 0.00 61.00 60.77 1wtl s PRO 8 Cb -0.05 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 1wtl s PRO 8 CO -0.03 -2.35 1.16 0.66 0.04 0.00 0.00 177.00 176.48 1wtl h SER 9 N -1.60 0.00 -5.10 6.66 4.64 -1.81 -3.40 113.55 112.93 1wtl h SER 9 Ca -0.45 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.77 1wtl h SER 9 Cb 1.25 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.19 1wtl h SER 9 CO 0.43 0.80 -0.37 -0.94 -0.87 0.00 0.00 176.83 175.88 1wtl s SER 10 N -6.41 0.05 0.12 4.97 1.04 -1.26 -1.13 113.70 111.09 1wtl s SER 10 Ca 0.00 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 1wtl s SER 10 Cb 0.09 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.53 1wtl s SER 10 CO 0.80 -0.64 0.28 -0.22 0.98 0.00 0.00 173.24 174.44 1wtl s LEU 11 N -2.41 0.99 -0.23 2.42 2.96 -1.02 -4.90 118.68 116.49 1wtl s LEU 11 Ca -0.01 -0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 1wtl s LEU 11 Cb 0.01 1.32 0.11 0.00 0.50 0.00 0.00 46.19 48.14 1wtl s LEU 11 CO -0.07 -0.82 0.27 -0.55 -1.32 0.00 0.00 176.35 173.86 1wtl s SER 12 N -2.88 1.26 0.20 3.68 0.15 -1.25 -1.56 113.70 113.30 1wtl s SER 12 Ca 0.08 -0.28 0.09 0.00 0.70 0.00 0.00 55.95 56.54 1wtl s SER 12 Cb 0.03 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 1wtl s SER 12 CO -0.08 -0.34 -0.18 0.00 1.20 0.00 0.00 173.24 173.84 1wtl s ALA 13 N 2.37 2.20 0.10 5.45 0.00 0.89 -4.84 121.76 127.94 1wtl s ALA 13 Ca 0.09 -1.62 -0.18 0.00 0.00 0.00 0.00 51.96 50.25 1wtl s ALA 13 Cb -0.15 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.71 1wtl s ALA 13 CO -0.18 0.22 0.57 -1.12 0.00 0.00 0.00 175.76 175.25 1wtl s SER 14 N -2.99 7.00 0.30 0.00 0.01 -1.26 -1.78 113.70 114.96 1wtl s SER 14 Ca 0.21 1.22 -0.30 0.00 1.31 0.00 0.00 55.95 58.39 1wtl s SER 14 Cb -0.04 -2.34 -0.12 0.00 0.21 0.00 0.00 66.02 63.72 1wtl s SER 14 CO 0.09 0.21 1.44 0.55 0.41 0.00 0.00 173.24 175.94 1wtl n VAL 15 N 1.41 1.36 0.00 3.43 3.14 -1.26 -1.42 118.33 124.99 1wtl n VAL 15 Ca -0.09 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1wtl n VAL 15 Cb 0.51 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 1wtl n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wtl n GLY 16 N 1.60 1.98 3.76 7.55 0.00 -0.42 -4.92 105.19 114.75 1wtl n GLY 16 Ca 0.08 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1wtl n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wtl s ASP 17 N -0.15 5.30 0.12 1.61 -0.00 -0.51 -4.24 116.67 118.80 1wtl s ASP 17 Ca 0.00 2.27 -0.22 0.00 -0.00 0.00 0.00 52.55 54.60 1wtl s ASP 17 Cb 0.00 -2.59 -0.07 0.00 -0.00 0.00 0.00 42.92 40.26 1wtl s ASP 17 CO 0.00 -1.51 0.66 -0.60 -0.00 0.00 0.00 175.17 173.72 1wtl s ARG 18 N -3.44 4.36 -0.03 8.23 3.52 -1.24 0.17 118.95 130.51 1wtl s ARG 18 Ca 0.74 0.92 0.01 0.00 -0.13 0.00 0.00 55.73 57.27 1wtl s ARG 18 Cb -0.27 -3.23 0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1wtl s ARG 18 CO 0.33 0.60 -0.03 0.08 -0.81 0.00 0.00 175.30 175.46 1wtl s VAL 19 N -1.15 0.40 -0.09 7.11 1.01 0.12 -4.95 120.40 122.85 1wtl s VAL 19 Ca 0.32 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1wtl s VAL 19 Cb -0.21 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1wtl s VAL 19 CO 0.22 0.18 -0.15 -0.89 0.00 0.00 0.00 175.10 174.46 1wtl s THR 20 N 0.74 1.44 0.00 3.92 2.01 -1.26 -0.66 115.64 121.84 1wtl s THR 20 Ca -0.09 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.32 1wtl s THR 20 Cb -0.12 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 1wtl s THR 20 CO -0.00 0.43 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.60 1wtl s ILE 21 N 0.77 0.97 0.22 1.82 1.01 -0.95 -4.66 121.20 120.38 1wtl s ILE 21 Ca -0.12 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1wtl s ILE 21 Cb -0.16 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 1wtl s ILE 21 CO 0.02 0.18 -0.14 0.42 0.00 0.00 0.00 174.94 175.42 1wtl s THR 22 N -0.45 1.81 -0.11 2.92 -4.23 -0.34 -0.53 115.64 114.71 1wtl s THR 22 Ca 0.03 -2.23 -0.01 0.00 -1.18 0.00 0.00 61.69 58.31 1wtl s THR 22 Cb -0.06 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.71 1wtl s THR 22 CO 0.00 -0.55 -0.03 0.00 -0.54 0.00 0.00 174.62 173.50 1wtl s ARG 24 N 1.83 3.73 0.19 0.00 1.70 -0.44 -0.52 118.95 125.44 1wtl s ARG 24 Ca 0.04 -0.39 -0.15 0.00 -0.47 0.00 0.00 55.73 54.76 1wtl s ARG 24 Cb -0.13 -3.07 -0.07 0.00 -0.57 0.00 0.00 34.95 31.10 1wtl s ARG 24 CO -0.07 0.35 0.61 0.00 -1.08 0.00 0.00 175.30 175.11 1wtl s ALA 25 N 0.11 3.52 -1.78 7.88 0.00 0.22 -0.08 121.76 131.63 1wtl s ALA 25 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1wtl s ALA 25 Cb -0.13 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1wtl s ALA 25 CO 0.01 0.42 0.88 -1.13 0.00 0.00 0.00 175.76 175.94 1wtl n SER 26 N 0.61 0.22 -3.85 0.00 3.41 0.96 -4.87 113.62 110.10 1wtl n SER 26 Ca -0.03 -1.98 0.04 0.00 -0.26 0.00 0.00 58.87 56.63 1wtl n SER 26 Cb 0.52 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 1wtl n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wtl s GLN 27 N -1.78 0.20 -0.32 4.33 -2.07 -1.26 -4.90 119.66 113.86 1wtl s GLN 27 Ca 0.00 -0.13 -0.29 0.00 -1.82 0.00 0.00 55.36 53.12 1wtl s GLN 27 Cb 0.00 0.06 -0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1wtl s GLN 27 CO 0.00 -0.09 1.46 0.34 -1.32 0.00 0.00 175.29 175.68 1wtl s ASP 28 N -3.70 6.42 -0.08 12.60 -1.08 -1.26 -4.44 116.67 125.12 1wtl s ASP 28 Ca 0.28 1.19 0.12 0.00 -0.52 0.00 0.00 52.55 53.62 1wtl s ASP 28 Cb 0.01 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.23 1wtl s ASP 28 CO -0.03 -1.30 1.22 2.30 0.52 0.00 0.00 175.17 177.89 1wtl n ILE 29 N 6.65 1.59 0.00 4.11 -5.35 0.30 -5.02 119.36 121.64 1wtl n ILE 29 Ca 0.17 -1.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.09 1wtl n ILE 29 Cb 0.47 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1wtl n ILE 29 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1wtl n THR 30 N -0.49 0.00 -1.22 7.28 -1.04 -1.21 -1.71 114.28 115.89 1wtl n THR 30 Ca 0.13 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.23 1wtl n THR 30 Cb 0.57 0.00 0.14 0.00 -1.82 0.00 0.00 70.33 69.22 1wtl n THR 30 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1wtl n ASN 31 N 9.48 2.10 -4.50 8.00 6.94 -1.26 0.13 115.26 136.15 1wtl n ASN 31 Ca 0.00 -3.13 -0.44 0.00 -0.02 0.00 0.00 54.58 50.99 1wtl n ASN 31 Cb 0.00 -0.43 -0.00 0.00 -2.36 0.00 0.00 39.78 36.99 1wtl n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1wtl s TYR 32 N -2.72 3.27 -0.05 -2.53 4.12 -0.70 -2.08 117.35 116.66 1wtl s TYR 32 Ca 0.31 -1.98 0.01 0.00 0.02 0.00 0.00 57.07 55.44 1wtl s TYR 32 Cb 0.28 -4.46 0.02 0.00 -1.52 0.00 0.00 41.96 36.28 1wtl s TYR 32 CO 0.01 -1.53 -0.06 0.08 0.02 0.00 0.00 175.55 174.07 1wtl s VAL 33 N 2.44 0.65 -0.02 0.71 1.01 -1.26 -0.96 120.40 122.97 1wtl s VAL 33 Ca 0.46 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1wtl s VAL 33 Cb -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1wtl s VAL 33 CO 0.03 0.25 0.17 0.20 0.00 0.00 0.00 175.10 175.75 1wtl s ASN 34 N 0.91 6.34 -0.10 3.32 0.01 0.42 -2.03 114.94 123.81 1wtl s ASN 34 Ca -0.11 0.35 0.04 0.00 -0.71 0.00 0.00 52.86 52.43 1wtl s ASN 34 Cb -0.15 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.52 1wtl s ASN 34 CO 0.01 0.28 -0.23 0.26 -1.51 0.00 0.00 177.10 175.91 1wtl s TRP 35 N -1.28 2.48 0.20 2.20 0.52 0.50 -1.93 118.94 121.63 1wtl s TRP 35 Ca 0.26 -1.02 0.11 0.00 0.02 0.00 0.00 56.10 55.47 1wtl s TRP 35 Cb -0.13 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.49 1wtl s TRP 35 CO 0.17 -0.42 -0.21 -0.06 0.02 0.00 0.00 176.95 176.45 1wtl s PHE 36 N 0.38 2.35 -0.16 -1.98 0.40 0.33 -1.14 117.98 118.16 1wtl s PHE 36 Ca -0.18 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1wtl s PHE 36 Cb -0.18 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.22 1wtl s PHE 36 CO 0.08 0.53 -0.17 -1.14 0.70 0.00 0.00 175.22 175.22 1wtl s GLN 37 N -2.83 3.13 -0.29 0.44 0.74 0.14 -1.23 119.66 119.77 1wtl s GLN 37 Ca 0.23 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.86 1wtl s GLN 37 Cb -0.08 -2.58 0.06 0.00 1.10 0.00 0.00 33.01 31.51 1wtl s GLN 37 CO 0.11 -0.04 -0.04 -1.14 -0.55 0.00 0.00 175.29 173.63 1wtl s GLN 38 N 0.92 2.30 0.55 1.67 0.74 -0.20 0.10 119.66 125.75 1wtl s GLN 38 Ca -0.04 -1.34 -0.08 0.00 0.05 0.00 0.00 55.36 53.95 1wtl s GLN 38 Cb -0.15 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.86 1wtl s GLN 38 CO -0.03 -0.62 0.91 1.03 -0.55 0.00 0.00 175.29 176.03 1wtl s ARG 39 N 1.17 3.58 -0.09 1.67 1.81 -1.26 -0.94 118.95 124.89 1wtl s ARG 39 Ca -0.06 0.49 -0.29 0.00 -1.72 0.00 0.00 55.73 54.15 1wtl s ARG 39 Cb -0.20 -2.23 -0.06 0.00 -0.45 0.00 0.00 34.95 32.01 1wtl s ARG 39 CO -0.03 -0.38 1.94 -2.14 -0.68 0.00 0.00 175.30 174.01 1wtl s PRO 40 N -4.93 3.81 0.00 3.54 0.02 -1.26 -1.60 135.00 134.58 1wtl s PRO 40 Ca 0.51 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.77 1wtl s PRO 40 Cb -0.11 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.23 1wtl s PRO 40 CO 0.49 -1.32 0.00 0.41 -0.33 0.00 0.00 177.00 176.25 1wtl n GLY 41 N 4.85 0.50 3.57 0.52 0.00 -1.26 -5.03 105.19 108.33 1wtl n GLY 41 Ca 0.22 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1wtl n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wtl s GLN 42 N -0.75 1.90 0.54 1.61 -0.21 -0.63 -5.15 119.66 116.97 1wtl s GLN 42 Ca 0.00 -2.12 -0.07 0.00 0.02 0.00 0.00 55.36 53.18 1wtl s GLN 42 Cb 0.00 -1.10 -0.04 0.00 1.00 0.00 0.00 33.01 32.88 1wtl s GLN 42 CO 0.00 -0.27 0.88 0.00 -2.12 0.00 0.00 175.29 173.78 1wtl s ALA 43 N -3.07 3.28 0.31 6.09 0.00 -1.26 -4.41 121.76 122.70 1wtl s ALA 43 Ca 0.26 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 1wtl s ALA 43 Cb 0.06 -2.78 -0.11 0.00 0.00 0.00 0.00 23.12 20.30 1wtl s ALA 43 CO 0.13 -0.49 1.45 -2.14 0.00 0.00 0.00 175.76 174.71 1wtl s PRO 44 N -4.92 4.22 -0.12 0.00 0.02 -1.26 -4.35 135.00 128.59 1wtl s PRO 44 Ca 0.50 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.94 1wtl s PRO 44 Cb -0.11 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 1wtl s PRO 44 CO 0.48 -0.44 -0.14 0.21 -0.33 0.00 0.00 177.00 176.79 1wtl s LYS 45 N -1.18 3.28 0.03 5.54 2.20 0.28 -4.92 119.74 124.97 1wtl s LYS 45 Ca 0.56 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 55.16 1wtl s LYS 45 Cb -0.44 -2.58 -0.07 0.00 -1.51 0.00 0.00 37.83 33.24 1wtl s LYS 45 CO 0.52 0.25 1.56 0.08 -0.36 0.00 0.00 175.35 177.40 1wtl s VAL 46 N 0.25 3.36 -0.09 4.02 1.01 -1.26 0.26 120.40 127.95 1wtl s VAL 46 Ca -0.10 0.74 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 1wtl s VAL 46 Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1wtl s VAL 46 CO 0.06 -0.01 -0.21 0.18 0.00 0.00 0.00 175.10 175.12 1wtl n LEU 47 N 5.75 1.51 -4.17 3.92 4.77 -0.29 -4.86 117.00 123.63 1wtl n LEU 47 Ca 0.15 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 56.13 1wtl n LEU 47 Cb 0.42 -0.56 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 1wtl n LEU 47 CO 0.61 -0.30 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.25 1wtl s ILE 48 N -2.49 1.38 0.36 -0.08 1.01 -1.11 -1.43 121.20 118.84 1wtl s ILE 48 Ca -0.18 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.66 1wtl s ILE 48 Cb 0.04 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1wtl s ILE 48 CO 0.26 0.31 0.10 -0.72 0.00 0.00 0.00 174.94 174.89 1wtl s TYR 49 N -0.52 1.82 -0.91 3.97 -0.85 -0.32 0.19 117.35 120.72 1wtl s TYR 49 Ca 0.06 -1.16 -0.01 0.00 -0.52 0.00 0.00 57.07 55.45 1wtl s TYR 49 Cb -0.07 -1.17 0.01 0.00 0.38 0.00 0.00 41.96 41.11 1wtl s TYR 49 CO -0.00 -0.19 0.05 0.41 -1.52 0.00 0.00 175.55 174.30 1wtl n GLY 50 N -0.78 -0.50 4.53 5.49 0.00 -1.17 -1.01 105.19 111.76 1wtl n GLY 50 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1wtl n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtl n ALA 51 N -2.40 0.00 -0.26 4.61 0.00 -0.86 -3.98 120.51 117.61 1wtl n ALA 51 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wtl n ALA 51 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1wtl n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wtl n SER 52 N 0.61 0.10 -4.65 0.00 3.41 -1.10 -3.20 113.62 108.79 1wtl n SER 52 Ca 0.00 -0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 57.74 1wtl n SER 52 Cb 0.00 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 1wtl n SER 52 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wtl s ILE 53 N -0.18 4.80 0.34 -1.33 1.09 -0.18 -4.43 121.20 121.32 1wtl s ILE 53 Ca 0.00 1.72 -0.27 0.00 -1.10 0.00 0.00 60.65 61.00 1wtl s ILE 53 Cb 0.00 -4.18 -0.09 0.00 -1.06 0.00 0.00 42.46 37.13 1wtl s ILE 53 CO 0.00 -0.08 1.09 -0.76 -0.10 0.00 0.00 174.94 175.09 1wtl s LEU 54 N 2.80 4.35 0.46 2.97 1.02 -1.26 -1.18 118.68 127.84 1wtl s LEU 54 Ca 0.38 2.20 -0.14 0.00 0.02 0.00 0.00 54.13 56.59 1wtl s LEU 54 Cb -0.15 -3.89 -0.07 0.00 0.02 0.00 0.00 46.19 42.10 1wtl s LEU 54 CO 0.08 -0.35 0.88 -0.70 0.02 0.00 0.00 176.35 176.28 1wtl s GLU 55 N -1.95 3.88 0.16 1.70 -6.30 -0.51 -4.93 118.70 110.75 1wtl s GLU 55 Ca 0.51 0.73 -0.32 0.00 -2.50 0.00 0.00 54.97 53.39 1wtl s GLU 55 Cb -0.28 -2.26 -0.11 0.00 0.00 0.00 0.00 34.13 31.47 1wtl s GLU 55 CO 0.36 -0.15 1.79 2.41 0.02 0.00 0.00 175.26 179.69 1wtl n THR 56 N -1.39 0.20 -1.02 -1.70 -1.04 -1.26 -1.42 114.28 106.65 1wtl n THR 56 Ca 0.05 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 62.01 1wtl n THR 56 Cb 0.54 -2.07 -0.00 0.00 -1.82 0.00 0.00 70.33 66.98 1wtl n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wtl n GLY 57 N 4.12 0.48 3.75 3.41 0.00 -1.26 -5.03 105.19 110.67 1wtl n GLY 57 Ca 0.17 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1wtl n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wtl s VAL 58 N -1.95 4.89 0.45 1.61 1.01 -0.51 -5.02 120.40 120.88 1wtl s VAL 58 Ca 0.00 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 1wtl s VAL 58 Cb 0.00 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1wtl s VAL 58 CO 0.00 0.38 1.25 -2.65 0.00 0.00 0.00 175.10 174.08 1wtl n PRO 59 N 2.91 1.80 0.00 2.72 -0.02 -1.26 -4.89 135.00 136.26 1wtl n PRO 59 Ca -0.05 0.64 0.15 0.00 -2.02 0.00 0.00 63.50 62.23 1wtl n PRO 59 Cb 0.51 -2.38 0.83 0.00 -0.02 0.00 0.00 33.50 32.44 1wtl n PRO 59 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wtl n SER 60 N -0.01 0.03 0.00 2.55 7.64 -1.26 -3.06 113.62 119.51 1wtl n SER 60 Ca 0.08 -0.50 0.10 0.00 1.01 0.00 0.00 58.87 59.56 1wtl n SER 60 Cb 0.41 -0.16 0.45 0.00 -1.01 0.00 0.00 64.21 63.90 1wtl n SER 60 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1wtl n ARG 61 N -1.15 0.06 -3.43 1.43 1.85 -1.26 -4.58 116.66 109.58 1wtl n ARG 61 Ca 0.18 0.14 -0.38 0.00 -1.00 0.00 0.00 57.85 56.78 1wtl n ARG 61 Cb 0.19 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.02 1wtl n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1wtl s PHE 62 N -2.91 3.30 0.02 2.89 0.08 -1.17 0.10 117.98 120.29 1wtl s PHE 62 Ca 0.12 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.61 1wtl s PHE 62 Cb 0.13 -2.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 1wtl s PHE 62 CO 0.36 -0.11 -0.03 -1.54 -0.10 0.00 0.00 175.22 173.79 1wtl s SER 63 N 1.36 0.31 -0.02 1.36 1.04 0.16 -4.97 113.70 112.93 1wtl s SER 63 Ca 0.15 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 56.10 1wtl s SER 63 Cb -0.15 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 1wtl s SER 63 CO 0.09 -0.31 -0.17 -0.83 0.98 0.00 0.00 173.24 172.99 1wtl s GLY 64 N -1.56 0.86 0.15 7.32 0.00 -1.26 0.28 107.32 113.11 1wtl s GLY 64 Ca -0.14 -0.73 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 1wtl s GLY 64 CO -0.01 -0.56 0.20 -1.35 0.00 0.00 0.00 173.10 171.37 1wtl s SER 65 N -0.31 0.14 0.00 1.64 1.04 0.14 -4.02 113.70 112.32 1wtl s SER 65 Ca 0.04 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1wtl s SER 65 Cb -0.08 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1wtl s SER 65 CO -0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1wtl n GLY 66 N -0.16 3.43 3.55 7.32 0.00 -1.26 0.13 105.19 118.20 1wtl n GLY 66 Ca -0.07 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 1wtl n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wtl s SER 67 N 0.00 -0.69 0.12 1.61 0.15 -1.20 -4.82 113.70 108.87 1wtl s SER 67 Ca 0.00 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1wtl s SER 67 Cb 0.00 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1wtl s SER 67 CO 0.00 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1wtl n GLY 68 N 1.45 1.45 0.00 9.45 0.00 0.35 -3.99 105.19 113.90 1wtl n GLY 68 Ca -0.17 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1wtl n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wtl n THR 69 N 0.00 0.00 -3.73 2.61 -2.24 -1.26 -0.54 114.28 109.11 1wtl n THR 69 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1wtl n THR 69 Cb 0.00 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 67.95 1wtl n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wtl s ASP 70 N -1.95 6.21 0.03 3.42 2.15 -1.26 0.70 116.67 125.98 1wtl s ASP 70 Ca 0.00 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.22 1wtl s ASP 70 Cb 0.00 -2.09 -0.02 0.00 -0.30 0.00 0.00 42.92 40.51 1wtl s ASP 70 CO 0.00 0.18 -0.04 -0.36 -0.17 0.00 0.00 175.17 174.78 1wtl s PHE 71 N 0.35 0.37 0.05 -5.34 0.40 0.32 -3.28 117.98 110.85 1wtl s PHE 71 Ca 0.08 -0.55 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1wtl s PHE 71 Cb -0.11 -0.25 -0.02 0.00 0.51 0.00 0.00 43.02 43.15 1wtl s PHE 71 CO -0.02 -0.17 -0.16 0.99 0.70 0.00 0.00 175.22 176.56 1wtl s THR 72 N -1.56 1.29 -0.11 0.64 2.01 0.35 -0.53 115.64 117.73 1wtl s THR 72 Ca -0.13 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.78 1wtl s THR 72 Cb -0.09 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.28 1wtl s THR 72 CO -0.01 0.03 -0.14 0.12 -0.69 0.00 0.00 174.62 173.93 1wtl s PHE 73 N -0.89 1.91 -0.03 4.92 2.19 0.31 -0.69 117.98 125.70 1wtl s PHE 73 Ca 0.03 -0.90 0.05 0.00 0.33 0.00 0.00 56.93 56.44 1wtl s PHE 73 Cb -0.08 -1.39 -0.01 0.00 -1.31 0.00 0.00 43.02 40.23 1wtl s PHE 73 CO 0.02 -0.48 -0.19 0.99 1.83 0.00 0.00 175.22 177.39 1wtl s THR 74 N 1.05 1.51 -0.27 0.12 2.01 0.14 -2.24 115.64 117.97 1wtl s THR 74 Ca -0.06 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 1wtl s THR 74 Cb -0.15 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.09 1wtl s THR 74 CO -0.02 0.43 0.02 -0.63 -0.69 0.00 0.00 174.62 173.73 1wtl s ILE 75 N -0.17 3.56 0.16 1.82 1.01 0.17 0.37 121.20 128.12 1wtl s ILE 75 Ca 0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1wtl s ILE 75 Cb -0.10 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1wtl s ILE 75 CO 0.01 0.18 1.52 0.28 0.00 0.00 0.00 174.94 176.94 1wtl h SER 76 N 8.15 0.95 -2.28 3.58 0.02 0.39 0.34 113.55 124.71 1wtl h SER 76 Ca -0.34 -0.41 -0.31 0.00 -0.84 0.00 0.00 61.79 59.90 1wtl h SER 76 Cb 1.13 -0.27 -0.34 0.00 0.14 0.00 0.00 62.40 63.06 1wtl h SER 76 CO 0.59 1.19 -0.62 -0.55 -1.14 0.00 0.00 176.83 176.30 1wtl s SER 77 N -6.81 1.45 -0.14 3.07 0.15 -1.25 -3.67 113.70 106.50 1wtl s SER 77 Ca -0.11 -0.45 -0.37 0.00 0.70 0.00 0.00 55.95 55.72 1wtl s SER 77 Cb 0.12 0.51 -0.14 0.00 -1.71 0.00 0.00 66.02 64.80 1wtl s SER 77 CO 0.87 -0.36 1.75 -0.11 1.20 0.00 0.00 173.24 176.59 1wtl n LEU 78 N 5.32 2.78 -4.92 3.45 7.94 0.45 -4.64 117.00 127.38 1wtl n LEU 78 Ca -0.04 1.04 -0.26 0.00 -1.11 0.00 0.00 56.01 55.64 1wtl n LEU 78 Cb 0.48 -1.25 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 1wtl n LEU 78 CO 0.04 -0.33 0.25 -1.10 -1.11 0.00 0.00 177.39 175.14 1wtl s GLN 79 N 3.29 3.55 0.47 1.96 -1.52 -1.26 -1.30 119.66 124.86 1wtl s GLN 79 Ca 0.94 -0.09 0.19 0.00 -1.95 0.00 0.00 55.36 54.44 1wtl s GLN 79 Cb -0.89 -2.59 1.19 0.00 -0.22 0.00 0.00 33.01 30.51 1wtl s GLN 79 CO 0.57 0.09 1.98 -1.35 -0.25 0.00 0.00 175.29 176.32 1wtl h PRO 80 N 0.94 0.23 -0.05 2.91 0.11 -1.99 -2.22 132.00 131.93 1wtl h PRO 80 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wtl h PRO 80 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1wtl h PRO 80 CO 0.63 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 177.72 1wtl n GLU 81 N -4.44 1.60 0.02 1.05 0.00 -1.26 -3.87 120.64 113.73 1wtl n GLU 81 Ca 0.11 -0.87 0.12 0.00 0.00 0.00 0.00 57.16 56.51 1wtl n GLU 81 Cb 0.50 -1.46 0.24 0.00 0.00 0.00 0.00 31.44 30.73 1wtl n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1wtl n ASP 82 N 0.07 0.53 -4.66 -1.84 10.43 -0.83 -4.85 116.55 115.39 1wtl n ASP 82 Ca 0.19 -0.10 -0.46 0.00 2.57 0.00 0.00 54.79 56.99 1wtl n ASP 82 Cb 0.32 0.20 -0.04 0.00 1.84 0.00 0.00 41.12 43.44 1wtl n ASP 82 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1wtl n ILE 83 N -1.68 0.63 -3.97 0.53 5.41 -1.25 -4.79 119.36 114.23 1wtl n ILE 83 Ca 0.05 -0.15 0.01 0.00 1.00 0.00 0.00 62.75 63.66 1wtl n ILE 83 Cb 0.37 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 1wtl n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wtl n ALA 84 N 7.53 -1.20 -3.13 -1.39 0.00 -1.23 -4.70 120.51 116.39 1wtl n ALA 84 Ca 0.23 -0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1wtl n ALA 84 Cb 0.35 0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.68 1wtl n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wtl s THR 85 N -2.04 3.25 0.02 0.00 2.01 -0.12 -2.28 115.64 116.49 1wtl s THR 85 Ca 0.10 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 1wtl s THR 85 Cb -0.00 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1wtl s THR 85 CO -0.01 0.50 0.12 -0.31 -0.69 0.00 0.00 174.62 174.24 1wtl s TYR 86 N 0.53 3.36 0.00 4.92 2.02 -0.46 -1.03 117.35 126.69 1wtl s TYR 86 Ca -0.07 0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1wtl s TYR 86 Cb -0.15 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.66 1wtl s TYR 86 CO 0.04 0.57 0.02 0.71 -1.57 0.00 0.00 175.55 175.31 1wtl s TYR 87 N -1.31 0.10 0.08 2.71 2.02 -0.36 -0.50 117.35 120.08 1wtl s TYR 87 Ca 0.27 -0.21 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 1wtl s TYR 87 Cb -0.12 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.31 1wtl s TYR 87 CO 0.19 -0.12 0.03 0.00 -1.57 0.00 0.00 175.55 174.08 1wtl s GLN 89 N -2.25 0.08 0.13 0.00 0.74 -0.82 0.06 119.66 117.61 1wtl s GLN 89 Ca 0.26 0.08 -0.18 0.00 0.05 0.00 0.00 55.36 55.57 1wtl s GLN 89 Cb -0.12 -0.24 -0.07 0.00 1.10 0.00 0.00 33.01 33.68 1wtl s GLN 89 CO 0.19 -0.09 0.60 1.14 -0.55 0.00 0.00 175.29 176.58 1wtl s GLN 90 N 0.66 4.17 -0.13 1.67 1.03 -0.36 -0.43 119.66 126.27 1wtl s GLN 90 Ca -0.06 0.72 0.15 0.00 0.04 0.00 0.00 55.36 56.21 1wtl s GLN 90 Cb -0.09 -3.09 0.35 0.00 0.03 0.00 0.00 33.01 30.22 1wtl s GLN 90 CO -0.02 0.55 1.17 2.48 -2.54 0.00 0.00 175.29 176.93 1wtl n TYR 91 N 1.27 0.00 -0.03 9.60 4.11 -0.13 -3.60 117.16 128.38 1wtl n TYR 91 Ca -0.07 -1.04 -0.06 0.00 -0.00 0.00 0.00 57.90 56.73 1wtl n TYR 91 Cb 0.51 -0.19 -0.05 0.00 -0.00 0.00 0.00 39.34 39.61 1wtl n TYR 91 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 1wtl h ASP 92 N 0.68 -0.05 -4.21 9.48 1.82 -1.88 -3.48 116.42 118.80 1wtl h ASP 92 Ca -0.05 -0.37 -0.68 0.00 -0.39 0.00 0.00 57.03 55.54 1wtl h ASP 92 Cb 1.23 0.01 -0.31 0.00 0.68 0.00 0.00 39.33 40.94 1wtl h ASP 92 CO 0.02 0.62 -0.88 -0.89 -1.61 0.00 0.00 179.24 176.49 1wtl s THR 93 N -2.11 2.00 0.30 2.25 2.01 -1.26 -5.13 115.64 113.70 1wtl s THR 93 Ca -0.08 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.57 1wtl s THR 93 Cb -0.01 -1.68 -0.10 0.00 0.01 0.00 0.00 72.50 70.72 1wtl s THR 93 CO 0.30 0.56 1.19 -0.76 -0.69 0.00 0.00 174.62 175.22 1wtl s LEU 94 N -0.30 4.50 0.46 4.42 1.02 -1.26 -3.95 118.68 123.57 1wtl s LEU 94 Ca 0.01 2.46 -0.12 0.00 0.02 0.00 0.00 54.13 56.50 1wtl s LEU 94 Cb -0.12 -3.64 -0.07 0.00 0.02 0.00 0.00 46.19 42.38 1wtl s LEU 94 CO 0.02 -0.32 0.86 -2.16 0.02 0.00 0.00 176.35 174.77 1wtl s PRO 95 N -1.60 3.82 0.27 1.29 0.04 -1.26 -4.64 135.00 132.92 1wtl s PRO 95 Ca 0.47 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 1wtl s PRO 95 Cb -0.36 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 31.80 1wtl s PRO 95 CO 0.46 -0.16 1.44 -0.51 0.04 0.00 0.00 177.00 178.27 1wtl s LEU 96 N -4.05 4.38 0.13 -3.56 1.02 -1.25 -4.76 118.68 110.59 1wtl s LEU 96 Ca 0.54 2.70 0.09 0.00 0.02 0.00 0.00 54.13 57.49 1wtl s LEU 96 Cb -0.10 -3.63 -0.04 0.00 0.02 0.00 0.00 46.19 42.44 1wtl s LEU 96 CO 0.33 -0.70 -0.23 0.42 0.02 0.00 0.00 176.35 176.19 1wtl s THR 97 N -0.17 1.97 0.23 5.49 -4.23 -1.24 -4.97 115.64 112.72 1wtl s THR 97 Ca 0.58 -1.72 0.08 0.00 -1.18 0.00 0.00 61.69 59.44 1wtl s THR 97 Cb -0.42 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1wtl s THR 97 CO 0.45 -0.06 0.09 -0.36 -0.54 0.00 0.00 174.62 174.21 1wtl s PHE 98 N -1.32 2.94 0.81 3.99 0.40 -1.26 -1.22 117.98 122.32 1wtl s PHE 98 Ca 0.12 -0.14 -0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1wtl s PHE 98 Cb -0.09 -1.35 0.15 0.00 0.51 0.00 0.00 43.02 42.23 1wtl s PHE 98 CO 0.06 0.55 1.12 0.20 0.70 0.00 0.00 175.22 177.85 1wtl s GLY 99 N -3.52 1.76 0.00 4.36 0.00 0.11 -4.57 107.32 105.46 1wtl s GLY 99 Ca 0.31 -1.43 0.11 0.00 0.00 0.00 0.00 44.72 43.71 1wtl s GLY 99 CO 0.22 -0.81 1.34 0.61 0.00 0.00 0.00 173.10 174.46 1wtl n GLY 100 N -3.19 -0.86 0.00 0.20 0.00 -1.26 -4.71 105.19 95.36 1wtl n GLY 100 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wtl n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wtl n GLY 101 N -0.39 -2.26 2.96 -0.02 0.00 -1.26 -4.99 105.19 99.22 1wtl n GLY 101 Ca 0.03 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1wtl n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wtl s THR 102 N -3.13 1.33 -0.88 2.61 2.01 0.34 -4.59 115.64 113.33 1wtl s THR 102 Ca 0.00 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 1wtl s THR 102 Cb 0.00 -1.35 0.12 0.00 0.01 0.00 0.00 72.50 71.28 1wtl s THR 102 CO 0.00 0.32 1.08 -0.75 -0.69 0.00 0.00 174.62 174.59 1wtl s LYS 103 N 1.57 3.51 -0.30 4.92 2.20 -0.28 -1.36 119.74 130.00 1wtl s LYS 103 Ca 0.03 -1.63 -0.29 0.00 -0.36 0.00 0.00 55.97 53.73 1wtl s LYS 103 Cb -0.14 -4.79 0.01 0.00 -1.51 0.00 0.00 37.83 31.39 1wtl s LYS 103 CO -0.09 -1.77 1.22 0.08 -0.36 0.00 0.00 175.35 174.44 1wtl s VAL 104 N 2.85 4.27 0.26 4.02 1.01 -0.96 -2.44 120.40 129.40 1wtl s VAL 104 Ca 0.30 1.45 0.11 0.00 0.00 0.00 0.00 61.98 63.84 1wtl s VAL 104 Cb -0.07 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1wtl s VAL 104 CO -0.06 -0.46 -0.19 -0.62 0.00 0.00 0.00 175.10 173.77 1wtl s ASP 105 N 2.36 3.33 -0.13 3.32 -1.08 -0.60 -3.55 116.67 120.31 1wtl s ASP 105 Ca 0.52 -1.02 -0.06 0.00 -0.52 0.00 0.00 52.55 51.48 1wtl s ASP 105 Cb -0.15 -0.26 -0.04 0.00 -1.46 0.00 0.00 42.92 41.01 1wtl s ASP 105 CO 0.20 -0.01 0.07 -0.51 0.52 0.00 0.00 175.17 175.44 1wtl s ILE 106 N -2.56 4.85 0.45 4.11 1.10 -1.25 0.30 121.20 128.20 1wtl s ILE 106 Ca 0.27 -0.03 0.05 0.00 -0.51 0.00 0.00 60.65 60.44 1wtl s ILE 106 Cb -0.04 -3.12 0.01 0.00 0.15 0.00 0.00 42.46 39.46 1wtl s ILE 106 CO 0.13 0.55 0.62 -0.75 -2.11 0.00 0.00 174.94 173.38 1wtl s LYS 107 N -0.45 2.83 0.00 3.50 2.47 -0.74 -4.85 119.74 122.50 1wtl s LYS 107 Ca 0.10 -0.98 0.00 0.00 -1.56 0.00 0.00 55.97 53.53 1wtl s LYS 107 Cb -0.12 -2.67 0.00 0.00 -1.46 0.00 0.00 37.83 33.58 1wtl s LYS 107 CO 0.02 -0.34 0.38 0.54 0.16 0.00 0.00 175.35 176.12