#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnl h LEU 2 N 0.00 0.00 -0.91 3.17 3.38 -2.04 -3.47 115.31 115.43 1wnl h LEU 2 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1wnl h LEU 2 Cb 0.00 0.00 0.12 0.00 0.09 0.00 0.00 40.66 40.87 1wnl h LEU 2 CO 0.00 0.30 -0.70 0.61 0.09 0.00 0.00 178.44 178.75 1wnl n GLY 3 N 0.53 -0.53 3.77 0.83 0.00 -1.26 -4.96 105.19 103.57 1wnl n GLY 3 Ca 0.01 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1wnl n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wnl s LEU 4 N -7.27 4.21 -0.06 0.99 1.43 -1.26 -4.95 118.68 111.78 1wnl s LEU 4 Ca 0.57 2.28 0.10 0.00 -1.03 0.00 0.00 54.13 56.04 1wnl s LEU 4 Cb -0.26 -4.02 0.24 0.00 0.03 0.00 0.00 46.19 42.18 1wnl s LEU 4 CO 0.74 -0.59 1.17 0.29 0.23 0.00 0.00 176.35 178.20 1wnl n LYS 5 N 0.15 2.57 -1.20 1.70 4.76 -1.26 -5.05 118.16 119.82 1wnl n LYS 5 Ca 0.04 -2.12 -0.31 0.00 -2.87 0.00 0.00 58.31 53.04 1wnl n LYS 5 Cb 0.47 -1.33 0.10 0.00 -1.84 0.00 0.00 35.03 32.43 1wnl n LYS 5 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1wnl s THR 6 N -1.75 3.00 -0.11 -0.18 -4.23 -1.26 -5.01 115.64 106.11 1wnl s THR 6 Ca 0.21 0.35 -0.22 0.00 -1.18 0.00 0.00 61.69 60.84 1wnl s THR 6 Cb 0.15 -2.74 -0.27 0.00 1.34 0.00 0.00 72.50 70.98 1wnl s THR 6 CO 0.06 -0.40 0.70 0.28 -0.54 0.00 0.00 174.62 174.71 1wnl h SER 7 N -1.13 0.27 0.00 3.99 0.02 -1.97 -3.46 113.55 111.28 1wnl h SER 7 Ca -0.44 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 59.62 1wnl h SER 7 Cb 1.24 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1wnl h SER 7 CO 0.49 1.36 -0.09 -0.38 -1.14 0.00 0.00 176.83 177.07 1wnl n ILE 8 N -4.24 0.91 -2.15 3.27 5.41 -1.26 -4.87 119.36 116.44 1wnl n ILE 8 Ca -0.18 0.30 -0.43 0.00 1.00 0.00 0.00 62.75 63.45 1wnl n ILE 8 Cb 0.73 -1.40 -0.02 0.00 -0.71 0.00 0.00 39.64 38.24 1wnl n ILE 8 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1wnl s ILE 9 N -2.00 3.74 0.00 1.39 1.01 -1.26 -2.27 121.20 121.81 1wnl s ILE 9 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1wnl s ILE 9 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1wnl s ILE 9 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.21 1wnl n GLY 10 N 4.69 1.09 0.32 6.18 0.00 0.50 -4.70 105.19 113.28 1wnl n GLY 10 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1wnl n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wnl h ARG 11 N 3.14 0.55 -4.00 1.61 3.08 -1.53 -3.42 114.38 113.82 1wnl h ARG 11 Ca 0.00 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 1wnl h ARG 11 Cb 0.00 -0.12 -0.22 0.00 0.08 0.00 0.00 29.97 29.70 1wnl h ARG 11 CO 0.00 0.36 -0.71 1.03 -1.07 0.00 0.00 179.97 179.58 1wnl s ARG 12 N -5.50 0.28 -0.04 0.04 0.52 -1.26 -5.06 118.95 107.93 1wnl s ARG 12 Ca -0.08 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1wnl s ARG 12 Cb 0.18 0.04 0.03 0.00 0.52 0.00 0.00 34.95 35.72 1wnl s ARG 12 CO 0.74 -0.03 0.00 0.08 0.02 0.00 0.00 175.30 176.11 1wnl s VAL 13 N -1.17 0.19 -0.29 3.52 1.01 -1.26 -1.42 120.40 120.98 1wnl s VAL 13 Ca -0.12 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1wnl s VAL 13 Cb -0.08 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1wnl s VAL 13 CO -0.01 0.16 0.04 -0.63 0.00 0.00 0.00 175.10 174.67 1wnl s ILE 14 N 1.23 3.61 -0.15 2.22 1.01 0.11 -4.95 121.20 124.28 1wnl s ILE 14 Ca -0.07 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1wnl s ILE 14 Cb -0.13 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1wnl s ILE 14 CO -0.02 0.06 0.13 -0.47 0.00 0.00 0.00 174.94 174.64 1wnl s TYR 15 N 1.43 3.52 -0.03 3.97 6.14 -1.26 -1.08 117.35 130.03 1wnl s TYR 15 Ca 0.01 0.44 0.05 0.00 0.64 0.00 0.00 57.07 58.21 1wnl s TYR 15 Cb -0.17 -2.01 -0.01 0.00 0.42 0.00 0.00 41.96 40.19 1wnl s TYR 15 CO 0.01 0.58 -0.19 -0.06 0.64 0.00 0.00 175.55 176.52 1wnl s PHE 16 N -0.56 1.77 0.24 4.97 0.40 0.21 -4.98 117.98 120.03 1wnl s PHE 16 Ca 0.12 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1wnl s PHE 16 Cb -0.12 -1.16 0.29 0.00 0.51 0.00 0.00 43.02 42.54 1wnl s PHE 16 CO 0.02 -0.10 1.68 1.96 0.70 0.00 0.00 175.22 179.48 1wnl h GLN 17 N 5.94 0.65 -2.71 0.44 4.20 -1.94 -1.16 115.11 120.54 1wnl h GLN 17 Ca -0.35 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.00 1wnl h GLN 17 Cb 1.16 -0.04 -0.21 0.00 0.30 0.00 0.00 27.48 28.69 1wnl h GLN 17 CO 0.48 0.82 -0.17 -2.00 -0.67 0.00 0.00 178.83 177.29 1wnl s GLU 18 N -4.59 0.67 0.10 1.46 2.12 -1.26 -3.57 118.70 113.62 1wnl s GLU 18 Ca -0.08 0.22 -0.17 0.00 0.36 0.00 0.00 54.97 55.30 1wnl s GLU 18 Cb 0.13 0.31 0.04 0.00 0.26 0.00 0.00 34.13 34.87 1wnl s GLU 18 CO 0.81 -0.16 0.42 -1.50 -0.54 0.00 0.00 175.26 174.30 1wnl s ILE 19 N -0.65 0.06 -0.02 -3.70 2.07 -0.98 -5.00 121.20 112.98 1wnl s ILE 19 Ca -0.07 -0.50 -0.24 0.00 -1.41 0.00 0.00 60.65 58.42 1wnl s ILE 19 Cb -0.04 -1.09 -0.17 0.00 0.13 0.00 0.00 42.46 41.29 1wnl s ILE 19 CO 0.04 -0.28 1.12 0.71 -1.91 0.00 0.00 174.94 174.61 1wnl h THR 20 N 2.57 0.94 -2.13 4.00 1.35 -1.94 -0.24 112.91 117.46 1wnl h THR 20 Ca -0.33 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1wnl h THR 20 Cb 1.24 1.46 -0.22 0.00 -1.73 0.00 0.00 68.15 68.90 1wnl h THR 20 CO 0.45 0.20 -0.07 -0.55 -0.25 0.00 0.00 175.52 175.31 1wnl s SER 21 N -5.39 -0.88 0.27 5.36 0.15 -1.26 -0.02 113.70 111.94 1wnl s SER 21 Ca -0.14 1.40 0.01 0.00 0.70 0.00 0.00 55.95 57.92 1wnl s SER 21 Cb 0.01 1.39 0.38 0.00 -1.71 0.00 0.00 66.02 66.09 1wnl s SER 21 CO 0.55 -0.23 1.72 0.71 1.20 0.00 0.00 173.24 177.20 1wnl h THR 22 N 5.25 1.26 -0.42 6.45 1.35 -1.92 -1.86 112.91 123.02 1wnl h THR 22 Ca -0.29 -1.21 -0.09 0.00 -0.55 0.00 0.00 66.41 64.26 1wnl h THR 22 Cb 1.20 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1wnl h THR 22 CO 0.17 0.39 -0.10 0.78 -0.25 0.00 0.00 175.52 176.52 1wnl h ASN 23 N 0.51 0.81 -0.59 5.36 4.21 -1.94 -1.31 115.58 122.63 1wnl h ASN 23 Ca 0.08 -0.36 -0.06 0.00 1.21 0.00 0.00 56.30 57.17 1wnl h ASN 23 Cb 0.63 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.59 1wnl h ASN 23 CO 0.04 0.98 0.14 -0.33 -1.29 0.00 0.00 177.43 176.98 1wnl h GLU 24 N 0.62 0.95 -0.78 0.81 4.39 -1.94 -0.01 114.58 118.63 1wnl h GLU 24 Ca 0.11 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1wnl h GLU 24 Cb 0.62 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1wnl h GLU 24 CO 0.04 0.88 0.27 0.35 -1.16 0.00 0.00 179.01 179.39 1wnl h PHE 25 N 0.86 1.22 -0.43 4.33 3.57 -1.25 -1.10 116.94 124.13 1wnl h PHE 25 Ca 0.19 -0.11 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 1wnl h PHE 25 Cb 0.35 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1wnl h PHE 25 CO 0.03 0.94 -0.28 0.00 -2.23 0.00 0.00 178.31 176.77 1wnl h ALA 26 N 1.15 0.70 -0.41 2.41 0.00 -0.93 -1.42 119.26 120.76 1wnl h ALA 26 Ca 0.25 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1wnl h ALA 26 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wnl h ALA 26 CO -0.01 0.67 -0.22 0.87 0.00 0.00 0.00 179.25 180.56 1wnl h LYS 27 N 0.79 0.88 0.12 0.00 1.57 -0.82 -3.33 116.57 115.77 1wnl h LYS 27 Ca 0.09 -0.39 -0.30 0.00 -1.87 0.00 0.00 60.65 58.18 1wnl h LYS 27 Cb 0.85 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 33.17 1wnl h LYS 27 CO 0.07 1.04 -1.25 1.15 -0.57 0.00 0.00 179.45 179.90 1wnl h THR 28 N 0.70 1.28 -4.22 -0.16 2.02 -1.19 -3.47 112.91 107.87 1wnl h THR 28 Ca 0.09 -2.45 -0.48 0.00 0.77 0.00 0.00 66.41 64.34 1wnl h THR 28 Cb 0.79 2.68 0.03 0.00 -1.74 0.00 0.00 68.15 69.91 1wnl h THR 28 CO 0.06 0.75 0.38 -0.44 0.37 0.00 0.00 175.52 176.64 1wnl s SER 29 N -7.43 6.36 -0.59 4.18 0.01 -0.54 -5.00 113.70 110.69 1wnl s SER 29 Ca -0.09 1.61 -0.24 0.00 1.31 0.00 0.00 55.95 58.53 1wnl s SER 29 Cb 0.06 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.82 1wnl s SER 29 CO 0.93 -0.77 1.00 -0.31 0.41 0.00 0.00 173.24 174.50 1wnl s TYR 30 N -2.66 2.71 0.07 2.43 2.02 -1.26 -4.93 117.35 115.73 1wnl s TYR 30 Ca 0.59 -0.07 0.05 0.00 -0.37 0.00 0.00 57.07 57.27 1wnl s TYR 30 Cb -0.11 -4.20 -0.03 0.00 -0.40 0.00 0.00 41.96 37.21 1wnl s TYR 30 CO 0.36 -1.49 -0.13 -0.51 -1.57 0.00 0.00 175.55 172.21 1wnl s LEU 31 N 4.21 2.28 0.53 -1.29 1.43 -1.26 -5.15 118.68 119.43 1wnl s LEU 31 Ca 0.31 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 1wnl s LEU 31 Cb -0.12 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.57 1wnl s LEU 31 CO 0.18 -0.10 1.00 -1.61 0.23 0.00 0.00 176.35 176.05 1wnl s GLU 32 N -1.74 3.83 0.38 1.70 0.41 -1.26 -4.99 118.70 117.03 1wnl s GLU 32 Ca -0.03 1.02 -0.28 0.00 -0.41 0.00 0.00 54.97 55.27 1wnl s GLU 32 Cb -0.10 -2.12 -0.11 0.00 -1.78 0.00 0.00 34.13 30.03 1wnl s GLU 32 CO 0.02 -0.37 1.50 -2.00 -0.49 0.00 0.00 175.26 173.91 1wnl s GLU 33 N -4.01 4.10 0.00 1.61 2.12 -1.26 -2.17 118.70 119.10 1wnl s GLU 33 Ca 0.60 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.52 1wnl s GLU 33 Cb -0.11 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.31 1wnl s GLU 33 CO 0.31 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 1wnl n GLY 34 N 0.49 1.17 3.73 -1.50 0.00 0.11 -4.88 105.19 104.32 1wnl n GLY 34 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1wnl n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wnl s THR 35 N -2.45 3.28 -0.14 2.61 2.01 -0.92 -0.37 115.64 119.65 1wnl s THR 35 Ca 0.00 1.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.97 1wnl s THR 35 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1wnl s THR 35 CO 0.00 0.13 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.36 1wnl s VAL 36 N 0.41 4.21 -0.23 3.82 1.01 -0.51 -1.63 120.40 127.48 1wnl s VAL 36 Ca 0.59 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1wnl s VAL 36 Cb -0.36 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1wnl s VAL 36 CO 0.36 0.51 0.00 -0.63 0.00 0.00 0.00 175.10 175.34 1wnl s ILE 37 N 0.05 3.78 0.00 2.22 -1.09 0.61 0.07 121.20 126.84 1wnl s ILE 37 Ca 0.02 -0.36 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 1wnl s ILE 37 Cb -0.13 -2.74 -0.01 0.00 -1.58 0.00 0.00 42.46 38.00 1wnl s ILE 37 CO 0.02 0.39 -0.08 0.54 -1.23 0.00 0.00 174.94 174.59 1wnl s VAL 38 N 1.47 0.61 0.03 2.92 0.11 -0.24 -0.43 120.40 124.85 1wnl s VAL 38 Ca 0.05 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.66 1wnl s VAL 38 Cb -0.15 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1wnl s VAL 38 CO -0.00 0.08 -0.05 0.00 -3.33 0.00 0.00 175.10 171.80 1wnl s ALA 39 N -0.37 0.33 0.35 1.54 0.00 -0.83 -0.62 121.76 122.15 1wnl s ALA 39 Ca 0.01 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1wnl s ALA 39 Cb -0.04 0.08 0.64 0.00 0.00 0.00 0.00 23.12 23.79 1wnl s ALA 39 CO -0.00 -0.07 1.91 -0.44 0.00 0.00 0.00 175.76 177.16 1wnl h ASP 40 N 4.79 0.52 -5.00 0.00 3.32 -1.26 -3.37 116.42 115.42 1wnl h ASP 40 Ca -0.33 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 1wnl h ASP 40 Cb 1.21 -0.13 -0.19 0.00 0.22 0.00 0.00 39.33 40.43 1wnl h ASP 40 CO 0.42 0.53 0.01 -1.59 -1.72 0.00 0.00 179.24 176.89 1wnl s LYS 41 N -5.12 0.92 -0.08 3.56 -2.85 -1.23 -3.77 119.74 111.16 1wnl s LYS 41 Ca -0.08 0.03 0.02 0.00 -1.00 0.00 0.00 55.97 54.95 1wnl s LYS 41 Cb 0.16 0.43 -0.02 0.00 -2.06 0.00 0.00 37.83 36.33 1wnl s LYS 41 CO 0.76 -0.29 -0.14 -0.65 0.10 0.00 0.00 175.35 175.14 1wnl s GLN 42 N -1.42 2.83 0.12 1.78 -0.21 -0.79 -2.33 119.66 119.64 1wnl s GLN 42 Ca -0.11 -0.69 0.22 0.00 0.02 0.00 0.00 55.36 54.80 1wnl s GLN 42 Cb -0.02 -2.47 -0.12 0.00 1.00 0.00 0.00 33.01 31.40 1wnl s GLN 42 CO 0.06 0.47 0.84 0.25 -2.12 0.00 0.00 175.29 174.79 1wnl n THR 43 N 2.76 0.47 -2.69 -0.19 -2.24 -0.10 -4.29 114.28 108.00 1wnl n THR 43 Ca -0.18 -0.55 -0.05 0.00 -2.27 0.00 0.00 64.05 61.00 1wnl n THR 43 Cb 0.52 -0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1wnl n THR 43 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1wnl n MET 44 N -2.56 1.92 -1.88 -0.78 2.81 0.98 -5.03 117.12 112.57 1wnl n MET 44 Ca -0.02 -3.58 -0.30 0.00 -1.81 0.00 0.00 57.70 51.98 1wnl n MET 44 Cb 0.58 -1.65 0.04 0.00 -0.71 0.00 0.00 33.22 31.48 1wnl n MET 44 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1wnl s GLY 45 N -3.65 1.63 0.16 3.03 0.00 -1.18 -4.67 107.32 102.63 1wnl s GLY 45 Ca 0.31 -0.30 -0.16 0.00 0.00 0.00 0.00 44.72 44.56 1wnl s GLY 45 CO -0.02 0.05 0.44 -2.38 0.00 0.00 0.00 173.10 171.19 1wnl s HIS 46 N -3.33 -0.13 0.15 1.90 -3.43 -1.26 -1.58 115.29 107.61 1wnl s HIS 46 Ca 0.58 -0.20 -0.00 0.00 -0.80 0.00 0.00 55.06 54.63 1wnl s HIS 46 Cb -0.11 0.29 0.03 0.00 -1.43 0.00 0.00 32.58 31.36 1wnl s HIS 46 CO 0.52 -0.79 0.20 0.41 -2.00 0.00 0.00 174.74 173.08 1wnl n GLY 47 N -0.27 0.55 0.41 -1.38 0.00 -0.05 -4.77 105.19 99.67 1wnl n GLY 47 Ca -0.13 -1.94 0.23 0.00 0.00 0.00 0.00 46.02 44.17 1wnl n GLY 47 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wnl h ARG 48 N 0.00 0.00 -0.74 1.61 2.43 -1.89 -0.56 114.38 115.23 1wnl h ARG 48 Ca -0.07 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.68 1wnl h ARG 48 Cb 0.23 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 29.54 1wnl h ARG 48 CO 0.07 0.00 0.31 1.28 -1.51 0.00 0.00 179.97 180.12 1wnl n LEU 49 N -4.32 5.82 -2.27 3.80 7.99 -1.26 -4.92 117.00 121.84 1wnl n LEU 49 Ca 0.12 -3.88 -0.12 0.00 -0.01 0.00 0.00 56.01 52.12 1wnl n LEU 49 Cb 0.71 -0.75 -0.01 0.00 -0.11 0.00 0.00 43.42 43.25 1wnl n LEU 49 CO 0.37 1.29 -0.14 -3.20 -1.51 0.00 0.00 177.39 174.19 1wnl n ASN 50 N -1.07 -3.67 -4.80 -1.43 5.15 -0.22 -4.95 115.26 104.28 1wnl n ASN 50 Ca 0.50 0.22 -0.36 0.00 -0.60 0.00 0.00 54.58 54.33 1wnl n ASN 50 Cb 1.22 -3.17 -0.07 0.00 -0.53 0.00 0.00 39.78 37.23 1wnl n ASN 50 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1wnl s ARG 51 N -4.70 3.87 0.12 1.20 0.52 -1.26 -4.81 118.95 113.89 1wnl s ARG 51 Ca 0.00 -0.05 -0.33 0.00 -0.52 0.00 0.00 55.73 54.83 1wnl s ARG 51 Cb 0.00 -3.30 -0.18 0.00 0.52 0.00 0.00 34.95 31.98 1wnl s ARG 51 CO 0.00 0.53 0.79 1.17 0.02 0.00 0.00 175.30 177.81 1wnl n LYS 52 N 2.71 0.10 -5.16 3.54 4.81 -1.26 -0.87 118.16 122.03 1wnl n LYS 52 Ca -0.17 0.04 -0.32 0.00 -0.87 0.00 0.00 58.31 56.99 1wnl n LYS 52 Cb 0.53 -1.28 -0.17 0.00 0.02 0.00 0.00 35.03 34.14 1wnl n LYS 52 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1wnl s TRP 53 N -0.55 2.58 -0.20 5.64 -0.11 -0.61 -4.66 118.94 121.03 1wnl s TRP 53 Ca 0.75 -0.93 -0.25 0.00 1.22 0.00 0.00 56.10 56.89 1wnl s TRP 53 Cb -1.06 -1.71 -0.01 0.00 -1.50 0.00 0.00 33.47 29.19 1wnl s TRP 53 CO 0.56 -0.35 0.85 -1.21 -4.62 0.00 0.00 176.95 172.18 1wnl s GLU 54 N 0.25 4.25 -0.51 5.86 0.41 -1.26 -4.27 118.70 123.44 1wnl s GLU 54 Ca -0.15 1.02 0.08 0.00 -0.41 0.00 0.00 54.97 55.50 1wnl s GLU 54 Cb -0.17 -3.61 0.33 0.00 -1.78 0.00 0.00 34.13 28.90 1wnl s GLU 54 CO 0.08 -0.43 0.83 0.43 -0.49 0.00 0.00 175.26 175.68 1wnl n SER 55 N 5.64 2.98 -4.85 -0.19 7.64 -1.26 -5.02 113.62 118.56 1wnl n SER 55 Ca 0.06 -3.38 -0.29 0.00 1.01 0.00 0.00 58.87 56.26 1wnl n SER 55 Cb 0.48 -0.60 0.10 0.00 -1.01 0.00 0.00 64.21 63.19 1wnl n SER 55 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wnl s PRO 56 N -2.89 1.77 0.41 1.43 0.04 -1.26 -1.89 135.00 132.60 1wnl s PRO 56 Ca 0.44 0.27 -0.27 0.00 0.04 0.00 0.00 61.00 61.49 1wnl s PRO 56 Cb 0.28 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.81 1wnl s PRO 56 CO -0.11 -1.76 1.45 0.39 0.04 0.00 0.00 177.00 177.01 1wnl n GLU 57 N -3.47 2.45 0.00 4.56 1.02 -1.25 -3.24 120.64 120.72 1wnl n GLU 57 Ca 0.07 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 1wnl n GLU 57 Cb 0.59 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1wnl n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wnl n GLY 58 N 0.53 2.38 4.01 0.62 0.00 -1.26 -4.25 105.19 107.22 1wnl n GLY 58 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1wnl n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wnl s GLY 59 N -2.23 1.88 -0.39 -0.02 0.00 -1.20 -0.45 107.32 104.91 1wnl s GLY 59 Ca 0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 44.72 42.77 1wnl s GLY 59 CO 0.00 -1.59 0.20 -2.27 0.00 0.00 0.00 173.10 169.44 1wnl s LEU 60 N -4.47 4.86 -0.30 0.66 2.96 0.15 -4.89 118.68 117.65 1wnl s LEU 60 Ca 0.57 -1.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.11 1wnl s LEU 60 Cb -0.08 -1.95 0.06 0.00 0.50 0.00 0.00 46.19 44.72 1wnl s LEU 60 CO 0.35 -0.46 -0.01 0.26 -1.32 0.00 0.00 176.35 175.17 1wnl s TRP 61 N 1.42 3.31 0.15 5.38 0.23 -1.26 -0.84 118.94 127.33 1wnl s TRP 61 Ca 0.02 -2.08 -0.08 0.00 -2.03 0.00 0.00 56.10 51.93 1wnl s TRP 61 Cb -0.21 -2.18 -0.01 0.00 0.03 0.00 0.00 33.47 31.09 1wnl s TRP 61 CO 0.03 -0.84 0.24 -0.48 0.96 0.00 0.00 176.95 176.85 1wnl s LEU 62 N 1.19 1.15 0.02 2.99 0.05 -0.67 -1.97 118.68 121.44 1wnl s LEU 62 Ca -0.04 -0.87 -0.00 0.00 0.05 0.00 0.00 54.13 53.26 1wnl s LEU 62 Cb -0.20 1.05 -0.02 0.00 -2.05 0.00 0.00 46.19 44.98 1wnl s LEU 62 CO -0.03 -0.84 -0.02 -0.44 -0.55 0.00 0.00 176.35 174.47 1wnl s SER 63 N -2.96 0.19 -0.06 1.48 0.01 0.42 -0.61 113.70 112.17 1wnl s SER 63 Ca 0.16 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1wnl s SER 63 Cb 0.04 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1wnl s SER 63 CO -0.02 -0.25 -0.16 -0.63 0.41 0.00 0.00 173.24 172.59 1wnl s ILE 64 N -1.21 1.42 -0.18 1.44 1.01 0.38 -0.29 121.20 123.78 1wnl s ILE 64 Ca -0.13 -0.67 -0.24 0.00 0.00 0.00 0.00 60.65 59.61 1wnl s ILE 64 Cb -0.08 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1wnl s ILE 64 CO -0.01 0.42 0.78 -0.69 0.00 0.00 0.00 174.94 175.44 1wnl s VAL 65 N 0.38 4.91 0.09 2.92 1.01 -0.65 -1.01 120.40 128.06 1wnl s VAL 65 Ca -0.12 1.52 0.06 0.00 0.00 0.00 0.00 61.98 63.45 1wnl s VAL 65 Cb -0.15 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1wnl s VAL 65 CO 0.04 0.05 -0.17 -0.76 0.00 0.00 0.00 175.10 174.26 1wnl s LEU 66 N 2.08 2.30 -0.41 3.92 1.43 0.66 0.07 118.68 128.73 1wnl s LEU 66 Ca 0.36 -0.66 0.10 0.00 -1.03 0.00 0.00 54.13 52.89 1wnl s LEU 66 Cb -0.16 -0.66 0.31 0.00 0.03 0.00 0.00 46.19 45.71 1wnl s LEU 66 CO 0.12 -0.03 0.67 -0.24 0.23 0.00 0.00 176.35 177.10 1wnl n SER 67 N 1.13 1.08 -4.67 2.29 2.88 -1.26 -0.46 113.62 114.61 1wnl n SER 67 Ca -0.20 -2.98 -0.42 0.00 -1.33 0.00 0.00 58.87 53.94 1wnl n SER 67 Cb 0.54 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 63.35 1wnl n SER 67 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1wnl s PRO 68 N -2.07 4.25 -0.86 -1.46 0.04 -1.26 -4.94 135.00 128.70 1wnl s PRO 68 Ca 0.39 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.29 1wnl s PRO 68 Cb 0.27 -3.73 0.29 0.00 0.04 0.00 0.00 34.50 31.36 1wnl s PRO 68 CO -0.09 -0.67 1.20 1.63 0.04 0.00 0.00 177.00 179.11 1wnl n LYS 69 N 6.21 3.74 -3.85 4.56 5.02 -1.26 -5.01 118.16 127.57 1wnl n LYS 69 Ca 0.14 -4.65 -0.22 0.00 -2.02 0.00 0.00 58.31 51.57 1wnl n LYS 69 Cb 0.44 -2.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.02 1wnl n LYS 69 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1wnl s VAL 70 N -3.02 3.14 0.27 -0.18 -7.23 -1.26 -5.06 120.40 107.06 1wnl s VAL 70 Ca 0.37 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1wnl s VAL 70 Cb 0.12 -3.08 -0.14 0.00 0.56 0.00 0.00 36.38 33.84 1wnl s VAL 70 CO 0.02 -0.13 1.16 -2.65 -0.31 0.00 0.00 175.10 173.19 1wnl n PRO 71 N -1.35 1.58 -0.22 4.82 -0.02 -1.26 -4.69 135.00 133.86 1wnl n PRO 71 Ca -0.01 0.56 0.31 0.00 -2.02 0.00 0.00 63.50 62.34 1wnl n PRO 71 Cb 0.61 -2.04 0.72 0.00 -0.02 0.00 0.00 33.50 32.77 1wnl n PRO 71 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1wnl h GLN 72 N 2.77 0.00 -0.38 -0.52 5.75 -1.99 0.83 115.11 121.57 1wnl h GLN 72 Ca -0.42 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 57.96 1wnl h GLN 72 Cb 1.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.85 1wnl h GLN 72 CO 0.66 0.00 -0.24 1.57 -2.65 0.00 0.00 178.83 178.17 1wnl h LYS 73 N 0.00 0.77 0.00 1.69 2.10 -2.06 -3.21 116.57 115.85 1wnl h LYS 73 Ca 0.48 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1wnl h LYS 73 Cb 2.07 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 1wnl h LYS 73 CO -0.01 0.93 -0.82 -0.25 -2.00 0.00 0.00 179.45 177.30 1wnl n ASP 74 N -4.11 0.63 -0.20 7.07 8.00 0.23 -4.42 116.55 123.76 1wnl n ASP 74 Ca -0.00 -0.19 0.01 0.00 0.71 0.00 0.00 54.79 55.32 1wnl n ASP 74 Cb 0.44 0.54 0.11 0.00 -0.02 0.00 0.00 41.12 42.19 1wnl n ASP 74 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1wnl h LEU 75 N 0.00 -0.04 -1.80 0.64 7.12 -1.40 -2.09 115.31 117.74 1wnl h LEU 75 Ca 0.00 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1wnl h LEU 75 Cb 0.67 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.97 1wnl h LEU 75 CO 0.00 -0.01 0.33 -0.65 -0.13 0.00 0.00 178.44 177.98 1wnl h PRO 76 N 0.24 0.00 0.00 5.25 0.11 -1.77 -1.55 132.00 134.27 1wnl h PRO 76 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1wnl h PRO 76 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1wnl h PRO 76 CO -0.42 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.00 1wnl n LYS 77 N -2.74 0.00 -0.13 1.05 5.02 -0.78 -3.28 118.16 117.29 1wnl n LYS 77 Ca -0.02 0.16 0.18 0.00 -2.02 0.00 0.00 58.31 56.61 1wnl n LYS 77 Cb 0.37 -1.51 0.56 0.00 -0.02 0.00 0.00 35.03 34.44 1wnl n LYS 77 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1wnl h ILE 78 N 0.00 0.76 -0.59 -0.18 1.08 -1.47 -1.71 117.51 115.40 1wnl h ILE 78 Ca 0.00 -0.10 0.16 0.00 -0.39 0.00 0.00 64.86 64.53 1wnl h ILE 78 Cb 0.34 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.51 1wnl h ILE 78 CO 0.00 0.05 0.42 -0.37 -0.69 0.00 0.00 178.15 177.56 1wnl h VAL 79 N 0.29 0.74 0.00 1.67 -1.51 -1.81 -2.17 116.25 113.46 1wnl h VAL 79 Ca 0.35 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 1wnl h VAL 79 Cb 0.95 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1wnl h VAL 79 CO -0.09 0.01 -0.37 -0.26 -1.23 0.00 0.00 177.57 175.63 1wnl h PHE 80 N 0.08 0.00 -0.61 5.19 0.04 -1.59 -3.36 116.94 116.69 1wnl h PHE 80 Ca 0.28 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.12 1wnl h PHE 80 Cb 1.02 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.11 1wnl h PHE 80 CO -0.00 0.00 0.31 -0.07 -0.60 0.00 0.00 178.31 177.95 1wnl h LEU 81 N 0.00 0.43 -0.50 1.54 3.38 -1.50 -1.51 115.31 117.16 1wnl h LEU 81 Ca 0.00 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1wnl h LEU 81 Cb 0.99 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1wnl h LEU 81 CO 0.00 0.28 0.09 1.23 0.09 0.00 0.00 178.44 180.13 1wnl h GLY 82 N 0.57 0.88 0.97 0.83 0.00 -1.73 -0.95 103.07 103.65 1wnl h GLY 82 Ca 0.28 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1wnl h GLY 82 CO -0.21 0.54 0.20 0.00 0.00 0.00 0.00 176.54 177.07 1wnl h ALA 83 N 0.97 0.67 -0.54 3.60 0.00 -1.67 -1.54 119.26 120.76 1wnl h ALA 83 Ca 0.15 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1wnl h ALA 83 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1wnl h ALA 83 CO 0.01 0.28 -0.05 0.28 0.00 0.00 0.00 179.25 179.77 1wnl h VAL 84 N 0.69 1.27 -0.80 0.00 2.07 -1.18 -1.23 116.25 117.07 1wnl h VAL 84 Ca 0.17 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1wnl h VAL 84 Cb 0.20 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1wnl h VAL 84 CO -0.01 0.42 0.53 1.23 0.02 0.00 0.00 177.57 179.76 1wnl h GLY 85 N 0.86 1.14 0.90 2.17 0.00 -0.97 -0.67 103.07 106.51 1wnl h GLY 85 Ca 0.15 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1wnl h GLY 85 CO 0.04 0.40 0.09 -2.08 0.00 0.00 0.00 176.54 174.99 1wnl h VAL 86 N 1.08 1.20 -0.48 4.60 2.07 -1.05 -1.84 116.25 121.83 1wnl h VAL 86 Ca 0.30 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1wnl h VAL 86 Cb -0.10 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1wnl h VAL 86 CO -0.07 0.22 0.23 0.58 0.02 0.00 0.00 177.57 178.55 1wnl h VAL 87 N 0.33 0.94 -0.78 2.57 2.07 -0.75 0.22 116.25 120.86 1wnl h VAL 87 Ca 0.10 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1wnl h VAL 87 Cb 0.25 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1wnl h VAL 87 CO -0.00 0.08 0.49 -0.33 0.02 0.00 0.00 177.57 177.83 1wnl h GLU 88 N 0.45 1.05 -0.59 1.57 5.08 -0.97 0.05 114.58 121.21 1wnl h GLU 88 Ca 0.21 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1wnl h GLU 88 Cb 0.14 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1wnl h GLU 88 CO -0.16 0.72 0.03 1.15 -1.00 0.00 0.00 179.01 179.74 1wnl h THR 89 N 1.06 1.26 -0.80 1.13 2.02 -0.81 -1.63 112.91 115.15 1wnl h THR 89 Ca 0.28 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 1wnl h THR 89 Cb -0.08 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1wnl h THR 89 CO -0.06 0.40 0.33 -0.07 0.37 0.00 0.00 175.52 176.50 1wnl h LEU 90 N 0.92 1.09 -1.23 2.58 3.38 -0.50 -2.08 115.31 119.48 1wnl h LEU 90 Ca 0.17 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1wnl h LEU 90 Cb 0.52 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1wnl h LEU 90 CO 0.03 0.96 -0.05 0.11 0.09 0.00 0.00 178.44 179.58 1wnl h LYS 91 N 1.16 0.47 0.00 1.13 1.57 -0.68 0.13 116.57 120.35 1wnl h LYS 91 Ca 0.27 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1wnl h LYS 91 Cb 0.20 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1wnl h LYS 91 CO -0.02 0.54 -0.17 0.93 -0.57 0.00 0.00 179.45 180.15 1wnl h GLU 92 N 0.45 0.00 -0.66 3.15 5.08 -0.62 -1.04 114.58 120.94 1wnl h GLU 92 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1wnl h GLU 92 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wnl h GLU 92 CO 0.02 0.17 0.00 1.19 -1.00 0.00 0.00 179.01 179.38 1wnl n PHE 93 N -4.27 1.39 -3.29 4.33 3.01 -0.41 -4.95 117.46 113.28 1wnl n PHE 93 Ca -0.02 -0.56 -0.23 0.00 1.01 0.00 0.00 57.45 57.65 1wnl n PHE 93 Cb 0.24 -0.22 0.06 0.00 -0.01 0.00 0.00 39.48 39.54 1wnl n PHE 93 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1wnl n SER 94 N 1.09 -6.26 -4.37 4.37 7.64 -0.39 -5.01 113.62 110.69 1wnl n SER 94 Ca 0.24 -0.40 -0.33 0.00 1.01 0.00 0.00 58.87 59.39 1wnl n SER 94 Cb 0.84 -4.98 -0.14 0.00 -1.01 0.00 0.00 64.21 58.91 1wnl n SER 94 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wnl s ILE 95 N -3.25 3.01 -1.34 0.44 1.01 0.33 -4.99 121.20 116.41 1wnl s ILE 95 Ca 0.44 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 1wnl s ILE 95 Cb -0.19 -2.26 0.08 0.00 0.01 0.00 0.00 42.46 40.10 1wnl s ILE 95 CO 0.54 0.53 1.88 -0.67 0.00 0.00 0.00 174.94 177.22 1wnl n ASP 96 N 3.49 4.62 -4.74 3.58 2.03 -1.26 -3.31 116.55 120.97 1wnl n ASP 96 Ca -0.18 -2.91 -0.41 0.00 0.52 0.00 0.00 54.79 51.81 1wnl n ASP 96 Cb 0.53 -1.68 -0.05 0.00 -0.72 0.00 0.00 41.12 39.19 1wnl n ASP 96 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1wnl s GLY 97 N 3.53 3.04 0.02 0.27 0.00 -1.26 -4.51 107.32 108.40 1wnl s GLY 97 Ca 0.50 0.62 0.04 0.00 0.00 0.00 0.00 44.72 45.87 1wnl s GLY 97 CO 0.01 1.38 -0.12 0.50 0.00 0.00 0.00 173.10 174.87 1wnl s ARG 98 N -0.48 0.87 -0.08 2.90 0.52 0.03 -4.90 118.95 117.80 1wnl s ARG 98 Ca 0.45 -0.59 -0.26 0.00 -0.52 0.00 0.00 55.73 54.81 1wnl s ARG 98 Cb -0.25 -0.85 -0.03 0.00 0.52 0.00 0.00 34.95 34.35 1wnl s ARG 98 CO 0.31 0.22 0.81 0.42 0.02 0.00 0.00 175.30 177.08 1wnl s ILE 99 N -0.63 4.95 -0.35 1.52 1.01 0.11 -0.16 121.20 127.65 1wnl s ILE 99 Ca 0.02 1.65 -0.12 0.00 0.00 0.00 0.00 60.65 62.19 1wnl s ILE 99 Cb -0.06 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 1wnl s ILE 99 CO 0.00 0.16 0.22 -0.75 0.00 0.00 0.00 174.94 174.58 1wnl s LYS 100 N 1.27 3.29 0.19 2.79 2.20 0.61 -0.81 119.74 129.29 1wnl s LYS 100 Ca 0.41 -0.78 -0.32 0.00 -0.36 0.00 0.00 55.97 54.92 1wnl s LYS 100 Cb -0.18 -3.76 -0.15 0.00 -1.51 0.00 0.00 37.83 32.23 1wnl s LYS 100 CO 0.19 -0.52 1.15 1.87 -0.36 0.00 0.00 175.35 177.68 1wnl n TRP 101 N 5.07 1.34 -0.07 4.03 -0.00 -1.26 -1.93 117.44 124.61 1wnl n TRP 101 Ca -0.13 0.67 -0.04 0.00 -0.00 0.00 0.00 57.50 58.00 1wnl n TRP 101 Cb 0.49 -2.28 -0.16 0.00 -0.00 0.00 0.00 31.31 29.35 1wnl n TRP 101 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1wnl n PRO 102 N 1.63 0.75 0.00 5.87 -0.04 -1.26 -4.75 135.00 137.20 1wnl n PRO 102 Ca 0.14 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1wnl n PRO 102 Cb 0.26 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1wnl n PRO 102 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wnl n ASN 103 N -2.60 0.73 -4.89 3.54 4.13 -1.19 -4.73 115.26 110.25 1wnl n ASN 103 Ca -0.25 -0.90 -0.29 0.00 1.68 0.00 0.00 54.58 54.82 1wnl n ASN 103 Cb 0.98 0.16 -0.03 0.00 -1.54 0.00 0.00 39.78 39.36 1wnl n ASN 103 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1wnl s ASP 104 N -0.16 6.48 -0.12 6.41 1.01 -0.81 -3.24 116.67 126.23 1wnl s ASP 104 Ca 0.00 0.95 0.02 0.00 0.71 0.00 0.00 52.55 54.23 1wnl s ASP 104 Cb 0.00 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 41.70 1wnl s ASP 104 CO 0.00 -0.33 -0.17 -0.69 0.21 0.00 0.00 175.17 174.20 1wnl s VAL 105 N -2.27 1.64 0.31 -1.27 1.01 -0.59 -0.29 120.40 118.94 1wnl s VAL 105 Ca 0.48 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.84 1wnl s VAL 105 Cb -0.10 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1wnl s VAL 105 CO 0.31 0.47 -0.05 -0.76 0.00 0.00 0.00 175.10 175.07 1wnl s LEU 106 N 0.99 2.91 -0.14 3.92 1.43 0.77 -0.87 118.68 127.69 1wnl s LEU 106 Ca -0.06 -0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 52.07 1wnl s LEU 106 Cb -0.15 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 44.79 1wnl s LEU 106 CO -0.02 -0.12 0.04 -0.69 0.23 0.00 0.00 176.35 175.79 1wnl s VAL 107 N -2.48 0.26 -1.40 -1.59 1.01 -0.11 -0.79 120.40 115.30 1wnl s VAL 107 Ca 0.33 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1wnl s VAL 107 Cb -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.69 1wnl s VAL 107 CO 0.18 -0.07 1.11 0.59 0.00 0.00 0.00 175.10 176.91 1wnl n ASN 108 N 5.16 -5.57 -0.72 3.32 3.02 -1.26 -1.83 115.26 117.37 1wnl n ASN 108 Ca -0.07 -0.62 -0.09 0.00 -0.03 0.00 0.00 54.58 53.77 1wnl n ASN 108 Cb 0.49 -4.71 -0.04 0.00 -0.61 0.00 0.00 39.78 34.91 1wnl n ASN 108 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wnl n TYR 109 N -4.86 0.00 -4.74 3.10 4.01 -1.26 -5.00 117.16 108.41 1wnl n TYR 109 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 1wnl n TYR 109 Cb 0.56 -2.18 -0.14 0.00 -0.31 0.00 0.00 39.34 37.27 1wnl n TYR 109 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1wnl s LYS 110 N -2.58 3.41 0.02 -0.72 1.02 -0.76 -5.04 119.74 115.09 1wnl s LYS 110 Ca 0.00 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 1wnl s LYS 110 Cb 0.00 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.58 1wnl s LYS 110 CO 0.00 0.22 1.71 0.21 -0.92 0.00 0.00 175.35 176.57 1wnl s LYS 111 N 0.34 4.18 -0.01 1.68 2.20 -1.26 -0.93 119.74 125.94 1wnl s LYS 111 Ca -0.10 2.33 0.11 0.00 -0.36 0.00 0.00 55.97 57.95 1wnl s LYS 111 Cb -0.16 -3.84 -0.15 0.00 -1.51 0.00 0.00 37.83 32.17 1wnl s LYS 111 CO 0.05 -0.81 0.29 1.51 -0.36 0.00 0.00 175.35 176.03 1wnl n ILE 112 N 5.15 0.00 -3.58 5.43 3.06 -0.05 -1.54 119.36 127.82 1wnl n ILE 112 Ca 0.17 -0.25 -0.17 0.00 -2.50 0.00 0.00 62.75 60.01 1wnl n ILE 112 Cb 0.41 0.44 -0.07 0.00 0.54 0.00 0.00 39.64 40.97 1wnl n ILE 112 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1wnl s ALA 113 N -2.56 -1.55 0.06 1.51 0.00 -1.06 -1.04 121.76 117.12 1wnl s ALA 113 Ca -0.02 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.14 1wnl s ALA 113 Cb 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1wnl s ALA 113 CO 0.44 -0.34 -0.15 0.20 0.00 0.00 0.00 175.76 175.92 1wnl s GLY 114 N -1.10 0.86 -0.09 0.00 0.00 -0.37 -1.54 107.32 105.07 1wnl s GLY 114 Ca -0.11 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.72 1wnl s GLY 114 CO 0.08 -0.92 -0.22 0.14 0.00 0.00 0.00 173.10 172.18 1wnl s VAL 115 N -1.04 1.90 -0.25 1.40 1.01 -1.20 -1.25 120.40 120.97 1wnl s VAL 115 Ca 0.01 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1wnl s VAL 115 Cb -0.09 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 34.71 1wnl s VAL 115 CO 0.02 0.53 -0.03 -0.22 0.00 0.00 0.00 175.10 175.39 1wnl s LEU 116 N 0.34 2.79 -0.19 3.92 2.96 0.25 -4.48 118.68 124.28 1wnl s LEU 116 Ca -0.17 -1.31 -0.06 0.00 -0.22 0.00 0.00 54.13 52.37 1wnl s LEU 116 Cb -0.17 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 1wnl s LEU 116 CO 0.08 -0.26 0.01 -0.69 -1.32 0.00 0.00 176.35 174.17 1wnl s VAL 117 N 1.35 4.21 -0.05 1.68 1.01 -1.26 -0.04 120.40 127.30 1wnl s VAL 117 Ca -0.03 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1wnl s VAL 117 Cb -0.19 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1wnl s VAL 117 CO -0.08 0.45 -0.10 -1.61 0.00 0.00 0.00 175.10 173.76 1wnl s GLU 118 N 0.69 1.37 -0.01 2.72 2.02 -0.38 -4.99 118.70 120.12 1wnl s GLU 118 Ca 0.01 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.70 1wnl s GLU 118 Cb -0.14 -1.19 -0.01 0.00 0.10 0.00 0.00 34.13 32.90 1wnl s GLU 118 CO 0.02 0.03 -0.11 0.20 0.02 0.00 0.00 175.26 175.42 1wnl s GLY 119 N 0.61 0.55 -0.29 -1.39 0.00 -1.26 0.01 107.32 105.56 1wnl s GLY 119 Ca -0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.10 1wnl s GLY 119 CO 0.02 -0.38 0.11 1.25 0.00 0.00 0.00 173.10 174.10 1wnl s LYS 120 N -0.23 0.43 7.22 2.90 2.20 -0.13 -5.01 119.74 127.12 1wnl s LYS 120 Ca 0.04 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1wnl s LYS 120 Cb -0.05 -1.58 0.00 0.00 -1.51 0.00 0.00 37.83 34.69 1wnl s LYS 120 CO -0.00 -0.97 0.00 0.41 -0.36 0.00 0.00 175.35 174.42 1wnl n GLY 121 N 5.07 2.22 0.13 5.54 0.00 -1.26 -2.72 105.19 114.17 1wnl n GLY 121 Ca -0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 1wnl n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wnl h ASP 122 N 0.00 0.13 -3.13 1.61 3.32 -1.96 -3.44 116.42 112.94 1wnl h ASP 122 Ca 0.00 -0.09 -0.58 0.00 0.02 0.00 0.00 57.03 56.38 1wnl h ASP 122 Cb 0.00 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 1wnl h ASP 122 CO 0.00 0.83 0.72 -0.75 -1.72 0.00 0.00 179.24 178.33 1wnl s LYS 123 N -3.37 4.27 -0.11 3.56 2.20 -1.10 -4.28 119.74 120.91 1wnl s LYS 123 Ca -0.02 1.31 0.03 0.00 -0.36 0.00 0.00 55.97 56.93 1wnl s LYS 123 Cb 0.11 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1wnl s LYS 123 CO 0.80 -0.57 -0.23 0.42 -0.36 0.00 0.00 175.35 175.41 1wnl s ILE 124 N 2.99 2.07 -0.21 5.43 -1.09 0.39 -0.96 121.20 129.82 1wnl s ILE 124 Ca 0.43 -1.00 -0.06 0.00 -2.23 0.00 0.00 60.65 57.79 1wnl s ILE 124 Cb -0.15 -1.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.90 1wnl s ILE 124 CO 0.08 0.56 0.03 -0.69 -1.23 0.00 0.00 174.94 173.69 1wnl s VAL 125 N 0.50 4.20 -0.39 2.92 1.01 0.10 -0.25 120.40 128.49 1wnl s VAL 125 Ca -0.15 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1wnl s VAL 125 Cb -0.17 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.34 1wnl s VAL 125 CO 0.05 0.41 0.23 -0.22 0.00 0.00 0.00 175.10 175.56 1wnl s LEU 126 N 1.08 4.89 -0.09 3.92 2.96 -0.18 -1.25 118.68 130.02 1wnl s LEU 126 Ca 0.03 -1.24 -0.05 0.00 -0.22 0.00 0.00 54.13 52.65 1wnl s LEU 126 Cb -0.14 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1wnl s LEU 126 CO 0.02 -0.45 0.13 -0.83 -1.32 0.00 0.00 176.35 173.90 1wnl s GLY 127 N 1.81 2.12 -0.02 7.98 0.00 0.95 -0.47 107.32 119.69 1wnl s GLY 127 Ca 0.02 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.05 1wnl s GLY 127 CO 0.04 -0.47 -0.03 -0.42 0.00 0.00 0.00 173.10 172.23 1wnl s ILE 128 N -1.08 0.29 -0.20 0.90 1.01 0.22 -0.58 121.20 121.76 1wnl s ILE 128 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1wnl s ILE 128 Cb -0.12 -0.31 0.05 0.00 0.01 0.00 0.00 42.46 42.09 1wnl s ILE 128 CO 0.07 0.13 -0.07 -0.83 0.00 0.00 0.00 174.94 174.24 1wnl s GLY 129 N 0.47 1.19 -0.15 6.18 0.00 -0.38 -1.66 107.32 112.96 1wnl s GLY 129 Ca -0.05 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.54 1wnl s GLY 129 CO -0.01 0.84 -0.21 -2.27 0.00 0.00 0.00 173.10 171.46 1wnl s LEU 130 N 1.46 2.08 -0.20 0.66 2.96 -0.02 -1.24 118.68 124.38 1wnl s LEU 130 Ca -0.02 -0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 52.99 1wnl s LEU 130 Cb -0.17 -1.43 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 1wnl s LEU 130 CO -0.07 0.05 1.18 0.20 -1.32 0.00 0.00 176.35 176.38 1wnl s ASN 131 N 0.98 6.99 0.00 3.68 0.01 -0.21 -0.68 114.94 125.71 1wnl s ASN 131 Ca -0.03 1.53 0.00 0.00 -0.71 0.00 0.00 52.86 53.65 1wnl s ASN 131 Cb -0.15 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1wnl s ASN 131 CO -0.05 -0.75 0.00 0.52 -1.51 0.00 0.00 177.10 175.31 1wnl n VAL 132 N 5.42 0.00 0.44 1.60 0.31 -1.25 -1.68 118.33 123.17 1wnl n VAL 132 Ca 0.13 0.03 0.05 0.00 -0.01 0.00 0.00 64.34 64.55 1wnl n VAL 132 Cb 0.45 -0.79 0.03 0.00 -0.91 0.00 0.00 33.84 32.63 1wnl n VAL 132 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1wnl n ASN 133 N -1.41 1.67 -4.85 4.52 3.02 0.40 -0.54 115.26 118.07 1wnl n ASN 133 Ca 0.00 -1.34 -0.31 0.00 -0.03 0.00 0.00 54.58 52.91 1wnl n ASN 133 Cb 0.00 0.15 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 1wnl n ASN 133 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wnl s ASN 134 N -1.03 5.57 0.50 6.41 4.22 -1.20 -4.87 114.94 124.55 1wnl s ASN 134 Ca 0.11 1.42 -0.20 0.00 -2.14 0.00 0.00 52.86 52.06 1wnl s ASN 134 Cb 0.09 -2.33 -0.08 0.00 1.28 0.00 0.00 41.25 40.21 1wnl s ASN 134 CO 0.17 -1.29 1.05 -0.54 -2.04 0.00 0.00 177.10 174.45 1wnl s LYS 135 N -5.16 3.70 0.22 3.55 1.02 -1.26 -4.91 119.74 116.89 1wnl s LYS 135 Ca 0.57 1.37 0.06 0.00 0.02 0.00 0.00 55.97 57.99 1wnl s LYS 135 Cb -0.12 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 1wnl s LYS 135 CO 0.54 -0.52 -0.08 0.14 -0.92 0.00 0.00 175.35 174.51 1wnl s VAL 136 N -2.02 1.44 0.67 3.17 -7.23 -1.26 -4.83 120.40 110.35 1wnl s VAL 136 Ca 0.67 -2.12 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 1wnl s VAL 136 Cb -0.17 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1wnl s VAL 136 CO 0.23 -0.48 1.18 -2.84 -0.31 0.00 0.00 175.10 172.88 1wnl s PRO 137 N -3.74 2.56 0.24 4.82 0.02 -1.26 -4.88 135.00 132.75 1wnl s PRO 137 Ca 0.25 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 62.65 1wnl s PRO 137 Cb 0.03 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.52 1wnl s PRO 137 CO 0.07 -1.50 1.33 0.09 -0.33 0.00 0.00 177.00 176.66 1wnl n ASN 138 N -2.29 2.42 0.00 2.53 3.02 -1.26 -1.41 115.26 118.26 1wnl n ASN 138 Ca 0.13 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.83 1wnl n ASN 138 Cb 0.50 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1wnl n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wnl n GLY 139 N 1.95 3.11 3.77 7.41 0.00 -1.26 -5.04 105.19 115.14 1wnl n GLY 139 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1wnl n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wnl n ALA 140 N -0.69 -0.63 -2.86 4.61 0.00 -0.50 -4.20 120.51 116.23 1wnl n ALA 140 Ca 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 53.44 51.51 1wnl n ALA 140 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 1wnl n ALA 140 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wnl s THR 141 N -3.41 0.00 0.20 0.00 -1.32 -0.59 -4.82 115.64 105.70 1wnl s THR 141 Ca 0.69 -1.61 -0.05 0.00 -1.21 0.00 0.00 61.69 59.51 1wnl s THR 141 Cb -0.03 -2.53 -0.03 0.00 -1.51 0.00 0.00 72.50 68.40 1wnl s THR 141 CO 0.47 0.00 0.23 -0.94 -2.21 0.00 0.00 174.62 172.17 1wnl s SER 142 N -3.19 0.09 0.21 8.08 1.04 -1.26 -4.31 113.70 114.36 1wnl s SER 142 Ca 0.30 -1.19 -0.07 0.00 0.48 0.00 0.00 55.95 55.46 1wnl s SER 142 Cb 0.00 0.43 0.16 0.00 0.10 0.00 0.00 66.02 66.72 1wnl s SER 142 CO 0.17 -0.92 1.73 0.24 0.98 0.00 0.00 173.24 175.45 1wnl h MET 143 N 2.54 1.09 -0.40 4.02 2.86 -1.15 -0.96 114.93 122.93 1wnl h MET 143 Ca -0.33 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.02 1wnl h MET 143 Cb 1.24 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1wnl h MET 143 CO 0.48 0.97 0.13 -0.22 1.06 0.00 0.00 176.91 179.33 1wnl h LYS 144 N 1.04 0.62 -0.49 1.72 3.64 -1.00 -0.36 116.57 121.74 1wnl h LYS 144 Ca 0.22 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1wnl h LYS 144 Cb 0.37 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1wnl h LYS 144 CO 0.00 0.61 0.02 -0.07 -2.27 0.00 0.00 179.45 177.74 1wnl h LEU 145 N 0.50 0.77 -0.27 5.20 3.38 -1.74 0.23 115.31 123.38 1wnl h LEU 145 Ca 0.13 -0.18 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 1wnl h LEU 145 Cb 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1wnl h LEU 145 CO -0.00 0.82 -0.79 -0.33 0.09 0.00 0.00 178.44 178.22 1wnl h GLU 146 N 0.75 0.54 0.00 1.13 4.39 -0.96 -3.29 114.58 117.14 1wnl h GLU 146 Ca 0.15 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1wnl h GLU 146 Cb 0.43 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1wnl h GLU 146 CO 0.02 1.10 -0.96 1.28 -1.16 0.00 0.00 179.01 179.28 1wnl n LEU 147 N -3.85 0.80 0.00 1.33 4.77 -0.17 -4.96 117.00 114.92 1wnl n LEU 147 Ca -0.06 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1wnl n LEU 147 Cb 0.75 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1wnl n LEU 147 CO 0.50 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1wnl n GLY 148 N 1.22 0.59 3.39 -0.72 0.00 0.79 -5.01 105.19 105.45 1wnl n GLY 148 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1wnl n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wnl s SER 149 N -2.02 -0.45 0.45 1.61 1.04 -1.05 -5.02 113.70 108.25 1wnl s SER 149 Ca 0.00 -0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.14 1wnl s SER 149 Cb 0.00 0.55 -0.08 0.00 0.10 0.00 0.00 66.02 66.59 1wnl s SER 149 CO 0.00 -0.89 1.29 -0.70 0.98 0.00 0.00 173.24 173.92 1wnl s GLU 150 N -3.51 3.76 -0.08 4.02 2.12 -1.26 -4.26 118.70 119.48 1wnl s GLU 150 Ca 0.00 2.10 0.05 0.00 0.36 0.00 0.00 54.97 57.48 1wnl s GLU 150 Cb -0.00 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.80 1wnl s GLU 150 CO -0.11 -0.65 -0.23 0.08 -0.54 0.00 0.00 175.26 173.81 1wnl s VAL 151 N -1.33 2.19 -0.19 3.70 1.01 -1.26 -5.03 120.40 119.49 1wnl s VAL 151 Ca 0.61 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1wnl s VAL 151 Cb -0.37 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.12 1wnl s VAL 151 CO 0.46 0.56 2.15 -2.65 0.00 0.00 0.00 175.10 175.63 1wnl n PRO 152 N 3.13 1.99 -0.33 2.72 -0.02 -1.26 -4.81 135.00 136.41 1wnl n PRO 152 Ca -0.18 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 1wnl n PRO 152 Cb 0.52 -3.04 0.22 0.00 -0.02 0.00 0.00 33.50 31.19 1wnl n PRO 152 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wnl h LEU 153 N 13.50 0.79 -1.10 2.45 5.85 -1.97 -1.50 115.31 133.33 1wnl h LEU 153 Ca -0.41 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 1wnl h LEU 153 Cb 1.26 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1wnl h LEU 153 CO 0.97 0.41 -0.01 0.25 -0.34 0.00 0.00 178.44 179.72 1wnl h LEU 154 N 0.87 0.59 -0.80 2.25 5.85 -1.99 -1.20 115.31 120.88 1wnl h LEU 154 Ca 0.47 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.98 1wnl h LEU 154 Cb 0.50 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1wnl h LEU 154 CO -0.28 0.67 -0.03 0.28 -0.34 0.00 0.00 178.44 178.74 1wnl h SER 155 N 0.59 0.85 -0.39 1.25 0.02 -1.67 -0.05 113.55 114.15 1wnl h SER 155 Ca 0.12 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1wnl h SER 155 Cb 0.39 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1wnl h SER 155 CO 0.02 0.93 -0.05 0.58 -1.14 0.00 0.00 176.83 177.16 1wnl h VAL 156 N 0.80 1.27 0.02 2.27 2.07 -1.04 -1.75 116.25 119.89 1wnl h VAL 156 Ca 0.15 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1wnl h VAL 156 Cb 0.52 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1wnl h VAL 156 CO 0.03 0.37 -0.08 0.15 0.02 0.00 0.00 177.57 178.06 1wnl h PHE 157 N 0.54 -0.20 -0.67 1.57 3.57 -0.88 0.19 116.94 121.06 1wnl h PHE 157 Ca 0.11 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1wnl h PHE 157 Cb 0.55 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1wnl h PHE 157 CO 0.04 -0.12 0.40 0.00 -2.23 0.00 0.00 178.31 176.40 1wnl h ARG 158 N -0.15 0.75 -0.06 1.11 3.08 -0.95 -0.70 114.38 117.47 1wnl h ARG 158 Ca 0.02 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1wnl h ARG 158 Cb 0.17 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1wnl h ARG 158 CO -0.06 0.50 0.03 1.03 -1.07 0.00 0.00 179.97 180.39 1wnl h SER 159 N 0.78 0.08 -0.24 7.04 0.87 -1.00 -2.15 113.55 118.93 1wnl h SER 159 Ca 0.28 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1wnl h SER 159 Cb 0.07 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1wnl h SER 159 CO -0.13 0.18 0.12 0.25 -0.53 0.00 0.00 176.83 176.72 1wnl h LEU 160 N -0.02 0.31 -0.84 2.23 5.85 -0.66 -1.69 115.31 120.50 1wnl h LEU 160 Ca 0.02 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1wnl h LEU 160 Cb 0.12 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1wnl h LEU 160 CO -0.00 0.33 0.53 0.40 -0.34 0.00 0.00 178.44 179.37 1wnl h ILE 161 N 0.26 1.12 -0.34 4.05 1.08 -1.13 0.47 117.51 123.02 1wnl h ILE 161 Ca 0.08 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 1wnl h ILE 161 Cb 0.10 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.83 1wnl h ILE 161 CO -0.01 0.19 0.13 0.74 -0.69 0.00 0.00 178.15 178.50 1wnl h THR 162 N 1.03 1.19 -0.23 -0.27 2.02 -1.12 -1.07 112.91 114.46 1wnl h THR 162 Ca 0.34 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1wnl h THR 162 Cb 0.03 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1wnl h THR 162 CO -0.12 0.21 0.12 0.78 0.37 0.00 0.00 175.52 176.88 1wnl h ASN 163 N 0.40 0.29 -0.82 4.18 2.35 -0.82 -2.61 115.58 118.56 1wnl h ASN 163 Ca 0.11 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1wnl h ASN 163 Cb 0.21 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1wnl h ASN 163 CO -0.01 0.31 0.45 -0.07 -1.65 0.00 0.00 177.43 176.46 1wnl h LEU 164 N 0.25 1.02 -0.51 1.61 3.38 -0.81 -0.96 115.31 119.29 1wnl h LEU 164 Ca 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wnl h LEU 164 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1wnl h LEU 164 CO -0.01 0.83 0.29 -0.78 0.09 0.00 0.00 178.44 178.86 1wnl h ASP 165 N 1.14 0.64 -0.22 -0.43 3.58 -1.08 0.13 116.42 120.17 1wnl h ASP 165 Ca 0.29 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1wnl h ASP 165 Cb 0.03 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1wnl h ASP 165 CO -0.05 0.53 0.07 -0.09 -2.88 0.00 0.00 179.24 176.83 1wnl h ARG 166 N 0.69 0.35 -0.82 0.28 2.43 -1.11 -1.85 114.38 114.34 1wnl h ARG 166 Ca 0.18 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1wnl h ARG 166 Cb 0.03 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1wnl h ARG 166 CO -0.03 0.44 0.50 -0.07 -1.51 0.00 0.00 179.97 179.30 1wnl h LEU 167 N 0.19 0.97 -0.28 3.80 3.38 -0.98 -2.54 115.31 119.85 1wnl h LEU 167 Ca 0.07 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1wnl h LEU 167 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1wnl h LEU 167 CO -0.00 0.74 0.02 0.22 0.09 0.00 0.00 178.44 179.51 1wnl h TYR 168 N 1.12 0.52 -0.66 1.13 3.20 -0.57 -1.06 116.97 120.65 1wnl h TYR 168 Ca 0.29 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1wnl h TYR 168 Cb -0.06 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1wnl h TYR 168 CO -0.01 0.61 0.30 -0.07 -1.64 0.00 0.00 178.16 177.35 1wnl h LEU 169 N 0.28 0.85 -0.60 2.82 4.07 -1.26 -1.86 115.31 119.60 1wnl h LEU 169 Ca 0.08 -0.09 -0.15 0.00 0.08 0.00 0.00 57.88 57.80 1wnl h LEU 169 Cb 0.39 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1wnl h LEU 169 CO 0.01 0.73 -0.70 -1.13 -1.08 0.00 0.00 178.44 176.27 1wnl h ASN 170 N 0.93 0.03 -0.32 -0.43 -1.24 -1.35 -3.15 115.58 110.06 1wnl h ASN 170 Ca 0.23 -0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.11 1wnl h ASN 170 Cb 0.11 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 1wnl h ASN 170 CO -0.03 0.72 -0.17 0.15 -1.29 0.00 0.00 177.43 176.80 1wnl h PHE 171 N 0.02 0.87 -0.31 0.67 3.04 -0.54 0.32 116.94 121.01 1wnl h PHE 171 Ca -0.01 -0.18 -0.02 0.00 3.98 0.00 0.00 57.97 61.74 1wnl h PHE 171 Cb 1.23 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.51 1wnl h PHE 171 CO 0.00 0.89 0.12 -0.07 -2.02 0.00 0.00 178.31 177.23 1wnl h LEU 172 N 0.69 0.39 0.06 0.59 3.38 -1.32 -2.23 115.31 116.87 1wnl h LEU 172 Ca 0.10 -0.04 -0.38 0.00 0.09 0.00 0.00 57.88 57.66 1wnl h LEU 172 Cb 0.67 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1wnl h LEU 172 CO 0.05 0.37 -2.20 2.29 0.09 0.00 0.00 178.44 179.03 1wnl n LYS 173 N -4.40 0.69 -3.49 1.13 2.85 -1.10 -4.73 118.16 109.11 1wnl n LYS 173 Ca 0.02 0.23 -0.27 0.00 -1.05 0.00 0.00 58.31 57.24 1wnl n LYS 173 Cb 0.14 -1.62 -0.09 0.00 -0.65 0.00 0.00 35.03 32.81 1wnl n LYS 173 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wnl n ASN 174 N -3.48 2.62 0.27 -5.58 3.02 0.11 -4.97 115.26 107.25 1wnl n ASN 174 Ca -0.39 -3.17 0.18 0.00 -0.03 0.00 0.00 54.58 51.16 1wnl n ASN 174 Cb 0.99 -0.68 0.88 0.00 -0.61 0.00 0.00 39.78 40.37 1wnl n ASN 174 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1wnl h PRO 175 N 4.53 0.00 0.00 3.52 0.11 -1.57 -2.34 132.00 136.25 1wnl h PRO 175 Ca 0.17 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.16 1wnl h PRO 175 Cb 0.74 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1wnl h PRO 175 CO 0.71 0.00 -0.65 0.52 -0.21 0.00 0.00 178.00 178.37 1wnl h MET 176 N 0.00 0.00 -0.99 1.05 2.86 -1.92 -3.35 114.93 112.58 1wnl h MET 176 Ca 0.05 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 1wnl h MET 176 Cb 0.58 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.16 1wnl h MET 176 CO -0.00 0.51 0.62 -0.44 1.06 0.00 0.00 176.91 178.67 1wnl h ASP 177 N 0.00 0.87 -0.52 1.22 5.19 -1.78 -2.18 116.42 119.22 1wnl h ASP 177 Ca -0.02 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.48 1wnl h ASP 177 Cb 1.44 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.80 1wnl h ASP 177 CO 0.07 0.45 0.34 -0.29 -3.12 0.00 0.00 179.24 176.69 1wnl h ILE 178 N 0.93 1.02 -0.70 0.35 6.09 -1.77 -2.40 117.51 121.03 1wnl h ILE 178 Ca 0.50 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 63.80 1wnl h ILE 178 Cb 0.56 0.44 -0.03 0.00 0.47 0.00 0.00 36.82 38.26 1wnl h ILE 178 CO -0.27 0.10 0.40 -0.07 -3.07 0.00 0.00 178.15 175.24 1wnl h LEU 179 N 0.53 0.85 -0.62 2.19 3.38 -1.64 -1.10 115.31 118.90 1wnl h LEU 179 Ca 0.22 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1wnl h LEU 179 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1wnl h LEU 179 CO -0.06 0.67 0.05 0.78 0.09 0.00 0.00 178.44 179.98 1wnl h ASN 180 N 0.97 1.04 -0.26 -0.43 4.21 -1.54 -0.58 115.58 118.98 1wnl h ASN 180 Ca 0.25 -0.28 -0.09 0.00 1.21 0.00 0.00 56.30 57.39 1wnl h ASN 180 Cb -0.01 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 36.90 1wnl h ASN 180 CO -0.04 1.06 -0.14 -0.07 -1.29 0.00 0.00 177.43 176.94 1wnl h LEU 181 N 0.97 0.68 -0.06 1.61 3.38 -1.37 -1.93 115.31 118.60 1wnl h LEU 181 Ca 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wnl h LEU 181 Cb 0.50 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1wnl h LEU 181 CO 0.02 0.84 0.00 0.58 0.09 0.00 0.00 178.44 179.98 1wnl h VAL 182 N 0.62 1.24 -0.94 1.22 2.07 -0.93 -2.81 116.25 116.72 1wnl h VAL 182 Ca 0.10 -0.72 0.12 0.00 0.82 0.00 0.00 66.70 67.02 1wnl h VAL 182 Cb 0.60 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 1wnl h VAL 182 CO 0.04 0.20 0.57 -0.09 0.02 0.00 0.00 177.57 178.30 1wnl h ARG 183 N -0.17 0.87 0.00 1.57 2.43 -0.94 0.09 114.38 118.23 1wnl h ARG 183 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1wnl h ARG 183 Cb 0.31 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1wnl h ARG 183 CO 0.00 0.58 0.00 -0.44 -1.51 0.00 0.00 179.97 178.60 1wnl h ASP 184 N 0.90 0.00 0.00 -3.80 3.32 -1.27 -3.24 116.42 112.32 1wnl h ASP 184 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1wnl h ASP 184 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1wnl h ASP 184 CO -0.27 0.00 -0.00 0.59 -1.72 0.00 0.00 179.24 177.84 1wnl n ASN 185 N -2.54 2.13 -4.88 6.45 3.02 -0.38 -5.05 115.26 114.02 1wnl n ASN 185 Ca 0.03 -2.42 -0.32 0.00 -0.03 0.00 0.00 54.58 51.84 1wnl n ASN 185 Cb 0.35 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 1wnl n ASN 185 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1wnl s MET 186 N -1.73 3.30 -0.31 3.52 1.75 -0.12 0.05 119.30 125.75 1wnl s MET 186 Ca 0.12 -0.47 -0.29 0.00 -1.25 0.00 0.00 55.69 53.81 1wnl s MET 186 Cb 0.11 -2.97 0.00 0.00 2.84 0.00 0.00 34.83 34.81 1wnl s MET 186 CO 0.01 0.62 1.27 0.42 -0.65 0.00 0.00 175.02 176.69 1wnl s ILE 187 N -1.42 4.18 0.27 10.11 1.01 0.01 -4.82 121.20 130.54 1wnl s ILE 187 Ca 0.31 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.31 1wnl s ILE 187 Cb -0.13 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1wnl s ILE 187 CO 0.24 -0.51 0.15 -0.76 0.00 0.00 0.00 174.94 174.06 1wnl s LEU 188 N 4.32 1.55 -0.25 2.97 1.43 -1.26 -4.84 118.68 122.60 1wnl s LEU 188 Ca 0.55 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 1wnl s LEU 188 Cb -0.16 0.23 0.00 0.00 0.03 0.00 0.00 46.19 46.29 1wnl s LEU 188 CO 0.23 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1wnl n GLY 189 N -0.49 0.57 3.34 -3.19 0.00 0.50 -5.01 105.19 100.91 1wnl n GLY 189 Ca 0.02 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 1wnl n GLY 189 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wnl s VAL 190 N -2.00 1.50 0.27 1.61 -7.23 -1.26 -4.92 120.40 108.36 1wnl s VAL 190 Ca 0.00 -2.14 -0.29 0.00 -1.81 0.00 0.00 61.98 57.74 1wnl s VAL 190 Cb 0.00 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 1wnl s VAL 190 CO 0.00 -0.54 1.00 -0.60 -0.31 0.00 0.00 175.10 174.65 1wnl s ARG 191 N -3.71 4.74 0.07 4.82 3.52 -1.26 -1.30 118.95 125.82 1wnl s ARG 191 Ca 0.23 1.59 -0.03 0.00 -0.13 0.00 0.00 55.73 57.39 1wnl s ARG 191 Cb 0.02 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1wnl s ARG 191 CO 0.07 0.37 0.03 0.14 -0.81 0.00 0.00 175.30 175.10 1wnl s VAL 192 N -1.22 0.19 -0.11 7.11 -7.23 0.22 -2.68 120.40 116.68 1wnl s VAL 192 Ca 0.44 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1wnl s VAL 192 Cb -0.27 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1wnl s VAL 192 CO 0.34 -0.87 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.33 1wnl s LYS 193 N -3.92 3.19 -0.30 4.82 2.20 0.23 -1.95 119.74 124.01 1wnl s LYS 193 Ca 0.08 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 54.81 1wnl s LYS 193 Cb 0.07 -2.46 -0.02 0.00 -1.51 0.00 0.00 37.83 33.90 1wnl s LYS 193 CO -0.09 0.22 0.17 0.42 -0.36 0.00 0.00 175.35 175.71 1wnl s ILE 194 N 0.30 4.93 -0.31 5.43 -1.09 0.08 -0.96 121.20 129.57 1wnl s ILE 194 Ca -0.14 -0.17 -0.09 0.00 -2.23 0.00 0.00 60.65 58.03 1wnl s ILE 194 Cb -0.17 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1wnl s ILE 194 CO 0.07 0.14 0.14 -0.76 -1.23 0.00 0.00 174.94 173.30 1wnl s LEU 195 N 1.68 4.12 0.00 2.97 1.43 0.90 -2.57 118.68 127.21 1wnl s LEU 195 Ca 0.06 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1wnl s LEU 195 Cb -0.17 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1wnl s LEU 195 CO 0.08 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1wnl n GLY 196 N 4.96 3.03 3.58 -3.19 0.00 -1.26 -0.29 105.19 112.02 1wnl n GLY 196 Ca -0.14 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1wnl n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wnl s ASP 197 N 1.70 6.41 0.00 1.61 -1.08 -1.26 -4.70 116.67 119.34 1wnl s ASP 197 Ca 0.00 -2.23 0.00 0.00 -0.52 0.00 0.00 52.55 49.80 1wnl s ASP 197 Cb 0.00 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1wnl s ASP 197 CO 0.00 -1.63 0.00 0.61 0.52 0.00 0.00 175.17 174.67 1wnl n GLY 198 N 5.55 -0.39 3.46 2.66 0.00 -1.26 -5.03 105.19 110.18 1wnl n GLY 198 Ca 0.47 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 1wnl n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wnl s SER 199 N -4.00 -0.48 0.06 1.61 1.04 -1.26 -4.52 113.70 106.15 1wnl s SER 199 Ca 0.00 0.00 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 1wnl s SER 199 Cb 0.00 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.67 1wnl s SER 199 CO 0.00 -0.82 0.46 0.72 0.98 0.00 0.00 173.24 174.59 1wnl s PHE 200 N -3.47 -0.34 0.22 5.02 -0.12 -1.06 -4.99 117.98 113.24 1wnl s PHE 200 Ca 0.03 0.29 0.10 0.00 -0.05 0.00 0.00 56.93 57.30 1wnl s PHE 200 Cb -0.01 0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.62 1wnl s PHE 200 CO -0.11 -0.63 -0.20 -1.21 -0.05 0.00 0.00 175.22 173.02 1wnl s GLU 201 N -2.69 1.49 0.00 1.99 2.02 -1.26 -0.74 118.70 119.51 1wnl s GLU 201 Ca -0.04 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.36 1wnl s GLU 201 Cb -0.00 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.64 1wnl s GLU 201 CO -0.04 0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.96 1wnl n GLY 202 N -0.14 -1.61 3.73 -1.39 0.00 -0.82 -4.42 105.19 100.53 1wnl n GLY 202 Ca -0.09 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 1wnl n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wnl s ILE 203 N -2.15 5.05 -0.66 -0.61 -1.09 -0.31 -0.61 121.20 120.82 1wnl s ILE 203 Ca 0.00 1.32 -0.28 0.00 -2.23 0.00 0.00 60.65 59.46 1wnl s ILE 203 Cb 0.00 -3.98 0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1wnl s ILE 203 CO 0.00 0.30 1.25 0.00 -1.23 0.00 0.00 174.94 175.26 1wnl s ALA 204 N 0.58 2.86 -0.02 9.38 0.00 -0.42 -1.44 121.76 132.71 1wnl s ALA 204 Ca 0.34 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 1wnl s ALA 204 Cb -0.17 -4.16 -0.33 0.00 0.00 0.00 0.00 23.12 18.46 1wnl s ALA 204 CO 0.16 -3.00 0.92 0.93 0.00 0.00 0.00 175.76 174.78 1wnl h GLU 205 N 9.88 0.40 0.00 0.00 4.39 -1.13 0.14 114.58 128.27 1wnl h GLU 205 Ca -0.27 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 58.76 1wnl h GLU 205 Cb 1.05 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1wnl h GLU 205 CO 1.23 1.32 0.00 -3.47 -1.16 0.00 0.00 179.01 176.94 1wnl n ASP 206 N -3.95 0.00 -4.42 1.42 2.03 -1.23 -4.61 116.55 105.78 1wnl n ASP 206 Ca -0.16 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.84 1wnl n ASP 206 Cb 0.94 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 41.21 1wnl n ASP 206 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wnl s ILE 207 N -2.26 2.64 0.00 5.18 -4.36 -1.26 0.05 121.20 121.20 1wnl s ILE 207 Ca 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.30 1wnl s ILE 207 Cb 0.00 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.66 1wnl s ILE 207 CO 0.00 0.44 0.00 -0.90 0.24 0.00 0.00 174.94 174.72 1wnl n ASP 208 N 1.91 0.00 0.00 4.36 5.68 -0.03 -4.87 116.55 123.60 1wnl n ASP 208 Ca -0.16 -0.93 0.06 0.00 -0.50 0.00 0.00 54.79 53.26 1wnl n ASP 208 Cb 0.52 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.84 1wnl n ASP 208 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1wnl n ASP 209 N -2.79 0.00 -0.28 -1.12 5.75 -1.26 -1.57 116.55 115.27 1wnl n ASP 209 Ca 0.00 -0.08 0.03 0.00 -0.01 0.00 0.00 54.79 54.74 1wnl n ASP 209 Cb 0.00 -0.18 0.03 0.00 -1.03 0.00 0.00 41.12 39.94 1wnl n ASP 209 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1wnl n PHE 210 N -1.18 0.03 -0.63 2.11 3.01 -1.26 -4.97 117.46 114.56 1wnl n PHE 210 Ca 0.07 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1wnl n PHE 210 Cb 0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1wnl n PHE 210 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wnl n GLY 211 N 0.34 0.71 3.75 1.37 0.00 -0.61 -4.83 105.19 105.93 1wnl n GLY 211 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1wnl n GLY 211 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wnl s ARG 212 N -0.37 4.68 -0.04 1.61 0.52 -1.26 -4.73 118.95 119.36 1wnl s ARG 212 Ca 0.00 1.74 -0.30 0.00 -0.52 0.00 0.00 55.73 56.65 1wnl s ARG 212 Cb 0.00 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 1wnl s ARG 212 CO 0.00 0.26 0.98 -1.17 0.02 0.00 0.00 175.30 175.39 1wnl s LEU 213 N -1.29 4.32 -0.30 2.53 2.96 -0.58 -0.85 118.68 125.47 1wnl s LEU 213 Ca 0.44 1.59 -0.15 0.00 -0.22 0.00 0.00 54.13 55.80 1wnl s LEU 213 Cb -0.31 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.81 1wnl s LEU 213 CO 0.39 -0.32 0.36 -0.63 -1.32 0.00 0.00 176.35 174.82 1wnl s ILE 214 N 1.37 5.18 -0.12 6.68 -1.09 0.11 -0.75 121.20 132.58 1wnl s ILE 214 Ca 0.50 0.37 0.01 0.00 -2.23 0.00 0.00 60.65 59.30 1wnl s ILE 214 Cb -0.20 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1wnl s ILE 214 CO 0.24 0.07 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.23 1wnl s ILE 215 N 2.05 2.76 -0.37 2.92 -1.09 -0.32 -0.51 121.20 126.64 1wnl s ILE 215 Ca 0.14 -0.77 -0.12 0.00 -2.23 0.00 0.00 60.65 57.67 1wnl s ILE 215 Cb -0.16 -2.13 0.02 0.00 -1.58 0.00 0.00 42.46 38.60 1wnl s ILE 215 CO 0.11 0.54 0.22 -0.60 -1.23 0.00 0.00 174.94 173.97 1wnl s ARG 216 N 0.31 3.01 0.61 2.79 3.52 -0.52 -1.23 118.95 127.44 1wnl s ARG 216 Ca -0.13 -0.96 -0.13 0.00 -0.13 0.00 0.00 55.73 54.38 1wnl s ARG 216 Cb -0.16 -3.75 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 1wnl s ARG 216 CO 0.06 -0.63 1.04 -0.51 -0.81 0.00 0.00 175.30 174.45 1wnl s LEU 217 N 1.60 3.35 0.58 -0.88 1.02 -0.01 -1.16 118.68 123.17 1wnl s LEU 217 Ca 0.03 1.61 0.28 0.00 0.02 0.00 0.00 54.13 56.07 1wnl s LEU 217 Cb -0.19 -4.50 1.55 0.00 0.02 0.00 0.00 46.19 43.07 1wnl s LEU 217 CO 0.07 -1.06 2.02 0.44 0.02 0.00 0.00 176.35 177.85 1wnl h ASP 218 N 0.01 0.00 1.08 2.29 3.32 -1.88 0.28 116.42 121.52 1wnl h ASP 218 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1wnl h ASP 218 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1wnl h ASP 218 CO 0.59 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.88 1wnl h SER 219 N 0.00 0.00 0.00 6.45 4.64 -1.95 -3.46 113.55 119.23 1wnl h SER 219 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1wnl h SER 219 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1wnl h SER 219 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1wnl n GLY 220 N 0.42 1.73 3.77 -0.77 0.00 0.99 -5.07 105.19 106.27 1wnl n GLY 220 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1wnl n GLY 220 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wnl s GLU 221 N -0.67 3.63 -0.15 1.61 2.12 -1.25 -4.70 118.70 119.29 1wnl s GLU 221 Ca 0.00 2.43 -0.02 0.00 0.36 0.00 0.00 54.97 57.75 1wnl s GLU 221 Cb 0.00 -2.63 -0.02 0.00 0.26 0.00 0.00 34.13 31.75 1wnl s GLU 221 CO 0.00 -0.86 -0.09 0.08 -0.54 0.00 0.00 175.26 173.84 1wnl s VAL 222 N -1.20 3.33 0.10 3.70 1.01 -1.26 -0.83 120.40 125.24 1wnl s VAL 222 Ca 0.62 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.15 1wnl s VAL 222 Cb -0.44 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1wnl s VAL 222 CO 0.56 0.50 -0.26 -0.54 0.00 0.00 0.00 175.10 175.36 1wnl s LYS 223 N 0.52 1.51 -0.21 2.72 1.02 -0.37 -4.99 119.74 119.95 1wnl s LYS 223 Ca -0.07 -1.24 -0.00 0.00 0.02 0.00 0.00 55.97 54.68 1wnl s LYS 223 Cb -0.15 -1.88 0.02 0.00 -0.52 0.00 0.00 37.83 35.30 1wnl s LYS 223 CO 0.04 0.46 -0.14 0.15 -0.92 0.00 0.00 175.35 174.94 1wnl s LYS 224 N -1.74 2.99 -0.21 1.68 1.02 -1.26 -1.18 119.74 121.05 1wnl s LYS 224 Ca 0.12 -0.85 -0.16 0.00 0.02 0.00 0.00 55.97 55.11 1wnl s LYS 224 Cb -0.10 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1wnl s LYS 224 CO 0.04 -0.26 0.40 0.08 -0.92 0.00 0.00 175.35 174.69 1wnl s VAL 225 N 1.32 5.19 0.14 3.17 1.01 0.07 -4.89 120.40 126.41 1wnl s VAL 225 Ca 0.03 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 1wnl s VAL 225 Cb -0.14 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1wnl s VAL 225 CO -0.09 0.24 0.33 0.27 0.00 0.00 0.00 175.10 175.85 1wnl s ILE 226 N 1.38 5.25 0.21 2.22 -4.36 -1.26 -1.53 121.20 123.10 1wnl s ILE 226 Ca 0.19 -0.23 -0.32 0.00 -0.26 0.00 0.00 60.65 60.02 1wnl s ILE 226 Cb -0.15 -3.66 -0.13 0.00 1.25 0.00 0.00 42.46 39.77 1wnl s ILE 226 CO 0.08 0.00 1.62 0.00 0.24 0.00 0.00 174.94 176.88 1wnl n TYR 227 N -0.10 2.54 -0.38 1.37 9.36 -1.26 -4.83 117.16 123.86 1wnl n TYR 227 Ca -0.04 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1wnl n TYR 227 Cb 0.52 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 1wnl n TYR 227 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1wnl n GLY 228 N 3.29 -0.61 2.85 2.98 0.00 -1.26 -5.01 105.19 107.42 1wnl n GLY 228 Ca 0.15 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1wnl n GLY 228 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wnl n ASP 229 N 0.00 3.46 -3.90 1.61 -0.08 -1.26 -4.83 116.55 111.55 1wnl n ASP 229 Ca 0.00 -2.78 -0.11 0.00 -1.51 0.00 0.00 54.79 50.39 1wnl n ASP 229 Cb 0.00 -1.48 -0.12 0.00 2.34 0.00 0.00 41.12 41.86 1wnl n ASP 229 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1wnl s VAL 230 N 3.79 0.05 0.07 5.18 -7.23 -1.26 -4.66 120.40 116.33 1wnl s VAL 230 Ca 0.51 -0.38 0.09 0.00 -1.81 0.00 0.00 61.98 60.38 1wnl s VAL 230 Cb 0.14 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.88 1wnl s VAL 230 CO -0.02 -0.21 -0.22 -0.44 -0.31 0.00 0.00 175.10 173.90 1wnl s SER 231 N -0.63 3.54 -0.11 4.85 0.01 0.60 -4.96 113.70 117.00 1wnl s SER 231 Ca -0.07 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.66 1wnl s SER 231 Cb -0.04 -0.43 -0.01 0.00 0.21 0.00 0.00 66.02 65.75 1wnl s SER 231 CO -0.00 0.23 -0.19 -0.22 0.41 0.00 0.00 173.24 173.47 1wnl s LEU 232 N -1.60 2.37 -0.05 2.44 0.20 -1.26 -0.07 118.68 120.71 1wnl s LEU 232 Ca 0.14 -0.45 0.05 0.00 0.69 0.00 0.00 54.13 54.56 1wnl s LEU 232 Cb -0.10 -1.50 -0.00 0.00 -0.43 0.00 0.00 46.19 44.16 1wnl s LEU 232 CO 0.05 0.17 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.97 1wnl s ARG 233 N 0.28 1.91 0.22 1.98 1.81 -0.13 -4.96 118.95 120.06 1wnl s ARG 233 Ca -0.14 -0.66 -0.22 0.00 -1.72 0.00 0.00 55.73 53.00 1wnl s ARG 233 Cb -0.17 -1.65 -0.08 0.00 -0.45 0.00 0.00 34.95 32.60 1wnl s ARG 233 CO 0.07 0.26 0.76 -0.06 -0.68 0.00 0.00 175.30 175.66 1wnl s PHE 234 N 0.01 3.72 -2.67 -0.53 0.08 -1.26 0.74 117.98 118.07 1wnl s PHE 234 Ca -0.04 1.50 0.27 0.00 0.12 0.00 0.00 56.93 58.78 1wnl s PHE 234 Cb -0.12 -2.69 0.76 0.00 -0.57 0.00 0.00 43.02 40.40 1wnl s PHE 234 CO 0.02 0.36 1.58 1.28 -0.10 0.00 0.00 175.22 178.37