#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wry s SER 2 N 0.00 -0.13 -0.30 1.61 0.15 -1.26 -5.17 113.70 108.60 1wry s SER 2 Ca 0.00 -0.72 -0.17 0.00 0.70 0.00 0.00 55.95 55.76 1wry s SER 2 Cb 0.00 0.55 0.21 0.00 -1.71 0.00 0.00 66.02 65.07 1wry s SER 2 CO 0.00 -1.05 1.27 -0.55 1.20 0.00 0.00 173.24 174.11 1wry s SER 3 N -2.94 -0.06 0.00 5.45 0.15 -1.26 -5.18 113.70 109.86 1wry s SER 3 Ca 0.15 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1wry s SER 3 Cb -0.00 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1wry s SER 3 CO 0.02 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1wry n GLY 4 N 3.32 1.13 2.65 9.45 0.00 -1.26 -5.12 105.19 115.36 1wry n GLY 4 Ca -0.15 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1wry n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry s SER 5 N 0.00 1.75 -0.02 1.61 0.01 -1.26 -5.13 113.70 110.66 1wry s SER 5 Ca 0.00 -0.26 -0.21 0.00 1.31 0.00 0.00 55.95 56.79 1wry s SER 5 Cb 0.00 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.06 1wry s SER 5 CO 0.00 -0.29 0.45 -0.55 0.41 0.00 0.00 173.24 173.25 1wry s SER 6 N 2.14 -0.36 -0.07 2.44 0.15 -1.26 -5.16 113.70 111.58 1wry s SER 6 Ca 0.03 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.97 1wry s SER 6 Cb -0.14 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1wry s SER 6 CO -0.06 -0.52 -0.01 -0.83 1.20 0.00 0.00 173.24 173.02 1wry s GLY 7 N -1.34 0.50 -0.34 9.45 0.00 -1.26 -4.95 107.32 109.39 1wry s GLY 7 Ca -0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.38 1wry s GLY 7 CO 0.06 1.06 0.25 1.03 0.00 0.00 0.00 173.10 175.49 1wry n MET 8 N 5.04 -2.85 -2.77 2.90 2.00 -1.26 -4.95 117.12 115.23 1wry n MET 8 Ca -0.09 2.40 -0.41 0.00 0.00 0.00 0.00 57.70 59.60 1wry n MET 8 Cb 0.50 -5.28 -0.05 0.00 0.00 0.00 0.00 33.22 28.39 1wry n MET 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1wry s VAL 9 N -1.97 4.38 -0.46 2.03 1.01 -1.26 -4.96 120.40 119.17 1wry s VAL 9 Ca 0.10 2.03 -0.14 0.00 0.00 0.00 0.00 61.98 63.98 1wry s VAL 9 Cb -0.03 -4.30 0.08 0.00 0.00 0.00 0.00 36.38 32.12 1wry s VAL 9 CO 0.73 0.39 0.36 -0.63 0.00 0.00 0.00 175.10 175.95 1wry s ILE 10 N -0.43 4.94 -0.25 2.22 -1.09 -1.15 -0.38 121.20 125.08 1wry s ILE 10 Ca 0.44 -1.17 -0.10 0.00 -2.23 0.00 0.00 60.65 57.59 1wry s ILE 10 Cb -0.24 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 1wry s ILE 10 CO 0.30 -0.57 0.15 -0.13 -1.23 0.00 0.00 174.94 173.46 1wry s ARG 11 N 1.58 3.98 -0.17 2.79 0.52 0.15 0.21 118.95 128.01 1wry s ARG 11 Ca 0.04 -0.31 -0.05 0.00 -0.52 0.00 0.00 55.73 54.88 1wry s ARG 11 Cb -0.24 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 1wry s ARG 11 CO 0.05 -0.01 -0.00 0.08 0.02 0.00 0.00 175.30 175.45 1wry s VAL 12 N 1.23 4.22 -0.63 3.52 1.01 -0.15 0.56 120.40 130.16 1wry s VAL 12 Ca 0.07 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1wry s VAL 12 Cb -0.14 -2.87 0.14 0.00 0.00 0.00 0.00 36.38 33.51 1wry s VAL 12 CO 0.06 0.48 0.64 -0.31 0.00 0.00 0.00 175.10 175.96 1wry s TYR 13 N 0.37 3.27 0.48 5.22 1.51 0.52 0.36 117.35 129.07 1wry s TYR 13 Ca -0.01 -1.34 0.08 0.00 -1.01 0.00 0.00 57.07 54.78 1wry s TYR 13 Cb -0.14 -3.89 0.02 0.00 -0.11 0.00 0.00 41.96 37.85 1wry s TYR 13 CO 0.02 -1.11 0.49 0.96 -1.11 0.00 0.00 175.55 174.80 1wry s ILE 14 N 1.68 2.39 -0.62 2.71 -4.36 0.50 -2.00 121.20 121.49 1wry s ILE 14 Ca 0.09 -1.26 0.05 0.00 -0.26 0.00 0.00 60.65 59.28 1wry s ILE 14 Cb -0.23 -2.64 0.30 0.00 1.25 0.00 0.00 42.46 41.13 1wry s ILE 14 CO 0.01 0.00 0.88 0.00 0.24 0.00 0.00 174.94 176.07 1wry n ALA 15 N -1.78 4.43 -1.55 2.27 0.00 -1.26 0.20 120.51 122.82 1wry n ALA 15 Ca 0.05 -4.74 -0.61 0.00 0.00 0.00 0.00 53.44 48.15 1wry n ALA 15 Cb 0.62 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 19.14 1wry n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wry n SER 16 N 0.27 0.85 -0.33 0.00 2.88 -1.26 -0.86 113.62 115.17 1wry n SER 16 Ca 0.31 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1wry n SER 16 Cb 0.40 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1wry n SER 16 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wry n SER 17 N 3.14 -1.42 -4.79 -3.46 2.88 -1.26 -4.57 113.62 104.14 1wry n SER 17 Ca 0.26 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.45 1wry n SER 17 Cb -0.03 -0.38 -0.05 0.00 -0.75 0.00 0.00 64.21 63.01 1wry n SER 17 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wry s SER 18 N -2.76 6.73 -0.95 -3.46 0.15 -0.04 -4.95 113.70 108.42 1wry s SER 18 Ca 0.00 1.94 -0.04 0.00 0.70 0.00 0.00 55.95 58.55 1wry s SER 18 Cb 0.00 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.85 1wry s SER 18 CO 0.00 -0.51 2.50 0.61 1.20 0.00 0.00 173.24 177.04 1wry n GLY 19 N 0.06 4.93 3.07 9.45 0.00 -1.26 -4.65 105.19 116.80 1wry n GLY 19 Ca 0.06 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 44.10 1wry n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry s SER 20 N 0.24 -0.56 0.32 1.61 0.01 -1.26 -5.03 113.70 109.03 1wry s SER 20 Ca 0.55 -0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.85 1wry s SER 20 Cb 0.27 1.19 0.88 0.00 0.21 0.00 0.00 66.02 68.57 1wry s SER 20 CO -0.16 -0.09 1.58 0.74 0.41 0.00 0.00 173.24 175.72 1wry h THR 21 N 4.44 0.04 -0.68 1.44 2.02 -1.99 0.63 112.91 118.80 1wry h THR 21 Ca -0.07 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.22 1wry h THR 21 Cb 1.19 0.01 -0.12 0.00 -1.74 0.00 0.00 68.15 67.49 1wry h THR 21 CO -0.06 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.48 1wry h ALA 22 N 1.97 -0.02 0.99 6.16 0.00 -1.97 0.65 119.26 127.03 1wry h ALA 22 Ca 0.65 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.70 1wry h ALA 22 Cb 1.45 0.85 0.01 0.00 0.00 0.00 0.00 17.79 20.10 1wry h ALA 22 CO -0.87 -0.68 -0.48 0.82 0.00 0.00 0.00 179.25 178.04 1wry h ILE 23 N -0.13 0.02 -0.99 0.00 2.04 -0.10 0.24 117.51 118.59 1wry h ILE 23 Ca 0.25 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.26 1wry h ILE 23 Cb 0.56 0.02 -0.16 0.00 -0.74 0.00 0.00 36.82 36.51 1wry h ILE 23 CO -0.75 0.00 -0.39 0.11 0.00 0.00 0.00 178.15 177.11 1wry h LYS 24 N -1.33 -0.00 0.56 2.37 1.57 -0.45 0.90 116.57 120.18 1wry h LYS 24 Ca -0.14 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1wry h LYS 24 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1wry h LYS 24 CO 0.22 -0.00 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.54 1wry h LYS 25 N -0.00 -0.81 -0.93 3.15 3.64 0.46 0.97 116.57 123.05 1wry h LYS 25 Ca 0.34 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.88 1wry h LYS 25 Cb 0.59 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 32.47 1wry h LYS 25 CO -0.98 -0.54 -0.53 0.87 -2.27 0.00 0.00 179.45 176.00 1wry h LYS 26 N -0.84 -0.04 -0.74 1.90 1.57 0.15 1.61 116.57 120.19 1wry h LYS 26 Ca -0.07 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.86 1wry h LYS 26 Cb 0.67 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.89 1wry h LYS 26 CO 0.08 -0.03 0.24 1.96 -0.57 0.00 0.00 179.45 181.13 1wry h GLN 27 N -0.05 0.35 -0.34 3.15 4.20 0.88 0.27 115.11 123.58 1wry h GLN 27 Ca 0.20 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 1wry h GLN 27 Cb 0.48 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1wry h GLN 27 CO -0.91 0.23 -0.18 1.96 -0.67 0.00 0.00 178.83 179.27 1wry h GLN 28 N 0.36 0.63 0.00 1.46 4.20 0.33 -0.32 115.11 121.77 1wry h GLN 28 Ca 0.41 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1wry h GLN 28 Cb 0.66 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1wry h GLN 28 CO -0.44 0.78 -0.16 0.22 -0.67 0.00 0.00 178.83 178.55 1wry h ASP 29 N 0.57 0.00 0.45 1.46 1.82 0.53 1.48 116.42 122.72 1wry h ASP 29 Ca 0.09 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.42 1wry h ASP 29 Cb 0.62 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.64 1wry h ASP 29 CO 0.04 0.16 -1.42 0.58 -1.61 0.00 0.00 179.24 176.99 1wry h VAL 30 N 0.00 1.31 0.15 2.25 2.07 -0.25 -2.98 116.25 118.79 1wry h VAL 30 Ca -0.00 -2.85 -0.01 0.00 0.82 0.00 0.00 66.70 64.66 1wry h VAL 30 Cb 0.29 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1wry h VAL 30 CO 0.02 0.85 -0.07 -0.07 0.02 0.00 0.00 177.57 178.32 1wry h LEU 31 N 0.10 -0.17 -0.90 2.57 3.38 -0.27 -2.67 115.31 117.34 1wry h LEU 31 Ca -0.21 -0.36 0.22 0.00 0.09 0.00 0.00 57.88 57.62 1wry h LEU 31 Cb 2.05 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 42.72 1wry h LEU 31 CO 0.21 0.41 0.41 1.23 0.09 0.00 0.00 178.44 180.79 1wry h GLY 32 N -0.89 1.56 0.91 0.83 0.00 0.19 0.46 103.07 106.13 1wry h GLY 32 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1wry h GLY 32 CO 0.03 -0.26 -0.27 -2.75 0.00 0.00 0.00 176.54 173.29 1wry h PHE 33 N 0.41 -0.71 -0.02 5.60 3.57 -1.57 0.99 116.94 125.23 1wry h PHE 33 Ca 0.57 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.05 1wry h PHE 33 Cb 1.07 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1wry h PHE 33 CO -0.13 -0.40 0.03 -0.07 -2.23 0.00 0.00 178.31 175.51 1wry h LEU 34 N -0.86 0.00 0.13 0.59 3.38 -0.85 0.50 115.31 118.19 1wry h LEU 34 Ca -0.08 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.68 1wry h LEU 34 Cb 0.62 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1wry h LEU 34 CO 0.13 0.00 -1.02 -0.33 0.09 0.00 0.00 178.44 177.30 1wry h GLU 35 N 0.00 0.27 -0.01 1.13 5.08 0.53 1.23 114.58 122.81 1wry h GLU 35 Ca 0.01 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 1wry h GLU 35 Cb 0.06 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1wry h GLU 35 CO -0.00 1.22 -0.40 0.00 -1.00 0.00 0.00 179.01 178.83 1wry h ALA 36 N 0.02 1.31 -0.07 3.43 0.00 0.21 -1.09 119.26 123.08 1wry h ALA 36 Ca -0.20 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1wry h ALA 36 Cb 1.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1wry h ALA 36 CO 0.11 0.51 0.00 0.09 0.00 0.00 0.00 179.25 179.96 1wry n ASN 37 N -4.06 1.47 -3.80 0.00 3.02 0.17 -4.93 115.26 107.13 1wry n ASN 37 Ca -0.02 -1.56 -0.28 0.00 -0.03 0.00 0.00 54.58 52.70 1wry n ASN 37 Cb 0.44 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 1wry n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wry n LYS 38 N 0.16 -2.47 -3.70 3.52 5.02 -0.41 -4.95 118.16 115.34 1wry n LYS 38 Ca 0.18 0.45 -0.32 0.00 -2.02 0.00 0.00 58.31 56.60 1wry n LYS 38 Cb 0.33 -4.38 -0.05 0.00 -0.02 0.00 0.00 35.03 30.91 1wry n LYS 38 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wry s ILE 39 N -3.69 5.20 -1.32 -0.18 1.01 0.42 -5.01 121.20 117.63 1wry s ILE 39 Ca 0.23 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.82 1wry s ILE 39 Cb -0.08 -3.62 0.13 0.00 0.01 0.00 0.00 42.46 38.90 1wry s ILE 39 CO 0.87 0.13 1.92 0.61 0.00 0.00 0.00 174.94 178.46 1wry n GLY 40 N 0.36 4.39 3.99 6.18 0.00 -1.26 -4.76 105.19 114.09 1wry n GLY 40 Ca -0.05 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 1wry n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wry s PHE 41 N 1.52 1.80 0.08 1.61 -0.71 -1.26 -2.92 117.98 118.10 1wry s PHE 41 Ca 0.43 -0.67 0.05 0.00 -1.04 0.00 0.00 56.93 55.70 1wry s PHE 41 Cb 0.09 -2.18 -0.03 0.00 -1.21 0.00 0.00 43.02 39.69 1wry s PHE 41 CO -0.02 -0.81 -0.13 -1.21 -1.34 0.00 0.00 175.22 171.71 1wry s GLU 42 N -4.49 0.82 -0.35 1.99 0.41 0.56 -4.85 118.70 112.79 1wry s GLU 42 Ca 0.54 -0.99 -0.10 0.00 -0.41 0.00 0.00 54.97 54.01 1wry s GLU 42 Cb -0.06 -0.77 0.02 0.00 -1.78 0.00 0.00 34.13 31.54 1wry s GLU 42 CO 0.34 0.16 0.18 -1.21 -0.49 0.00 0.00 175.26 174.24 1wry s GLU 43 N -1.93 2.95 -0.23 1.61 2.02 -1.26 -0.97 118.70 120.88 1wry s GLU 43 Ca -0.01 -0.98 -0.03 0.00 0.02 0.00 0.00 54.97 53.97 1wry s GLU 43 Cb -0.09 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1wry s GLU 43 CO 0.02 -0.61 -0.05 0.15 0.02 0.00 0.00 175.26 174.79 1wry s LYS 44 N 1.55 3.22 0.02 1.61 -0.14 0.16 -4.96 119.74 121.19 1wry s LYS 44 Ca 0.02 -0.73 -0.18 0.00 -1.36 0.00 0.00 55.97 53.72 1wry s LYS 44 Cb -0.19 -3.00 -0.06 0.00 -1.68 0.00 0.00 37.83 32.90 1wry s LYS 44 CO 0.06 -0.26 0.52 0.34 -0.76 0.00 0.00 175.35 175.25 1wry s ASP 45 N 1.44 6.94 -0.01 2.83 2.15 -1.25 0.19 116.67 128.95 1wry s ASP 45 Ca 0.04 1.12 0.10 0.00 0.43 0.00 0.00 52.55 54.24 1wry s ASP 45 Cb -0.15 -2.33 -0.15 0.00 -0.30 0.00 0.00 42.92 40.00 1wry s ASP 45 CO -0.04 0.22 0.27 2.30 -0.17 0.00 0.00 175.17 177.76 1wry n ILE 46 N 2.17 0.00 0.19 4.11 -5.35 0.54 -3.99 119.36 117.02 1wry n ILE 46 Ca -0.10 -0.24 -0.14 0.00 -0.27 0.00 0.00 62.75 62.00 1wry n ILE 46 Cb 0.51 0.44 -0.08 0.00 -1.74 0.00 0.00 39.64 38.77 1wry n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wry h ALA 47 N 1.06 -0.48 -0.99 -1.28 0.00 -1.81 -3.39 119.26 112.38 1wry h ALA 47 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wry h ALA 47 Cb 0.42 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wry h ALA 47 CO 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.62 1wry n ALA 48 N -2.46 -0.07 -2.09 0.00 0.00 -1.26 -4.76 120.51 109.87 1wry n ALA 48 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1wry n ALA 48 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 1wry n ALA 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wry s ASN 49 N -2.27 6.74 -0.18 0.00 -0.87 -1.26 -4.91 114.94 112.19 1wry s ASN 49 Ca 0.00 2.31 -0.23 0.00 -1.57 0.00 0.00 52.86 53.37 1wry s ASN 49 Cb 0.00 -2.57 -0.22 0.00 -0.02 0.00 0.00 41.25 38.45 1wry s ASN 49 CO 0.00 -0.78 0.39 -0.08 -2.57 0.00 0.00 177.10 174.06 1wry h GLU 50 N 7.80 0.02 -0.92 -0.60 4.81 -1.86 -3.34 114.58 120.49 1wry h GLU 50 Ca -0.40 -0.04 0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1wry h GLU 50 Cb 1.19 0.01 -0.17 0.00 0.63 0.00 0.00 28.75 30.42 1wry h GLU 50 CO 0.91 1.02 -0.24 -0.85 -0.73 0.00 0.00 179.01 179.11 1wry n GLU 51 N -4.43 -0.09 0.01 1.92 0.28 -1.26 0.11 120.64 117.19 1wry n GLU 51 Ca -0.26 1.43 -0.10 0.00 -0.16 0.00 0.00 57.16 58.07 1wry n GLU 51 Cb 0.65 -2.14 -0.03 0.00 1.43 0.00 0.00 31.44 31.35 1wry n GLU 51 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1wry h ASN 52 N 0.00 -0.76 0.55 -1.84 4.21 -1.87 1.42 115.58 117.29 1wry h ASN 52 Ca 0.43 0.12 -0.03 0.00 1.21 0.00 0.00 56.30 58.03 1wry h ASN 52 Cb 0.66 0.33 0.01 0.00 -1.12 0.00 0.00 38.32 38.20 1wry h ASN 52 CO -0.94 -0.30 -0.26 -0.09 -1.29 0.00 0.00 177.43 174.54 1wry h ARG 53 N -0.33 -0.71 0.15 0.81 2.43 0.72 0.54 114.38 118.00 1wry h ARG 53 Ca 0.09 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1wry h ARG 53 Cb 0.47 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1wry h ARG 53 CO -0.29 -0.46 -0.22 -0.22 -1.51 0.00 0.00 179.97 177.27 1wry h LYS 54 N -0.76 -0.38 -0.39 0.20 3.64 0.10 0.82 116.57 119.80 1wry h LYS 54 Ca -0.08 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1wry h LYS 54 Cb 0.58 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.40 1wry h LYS 54 CO 0.12 -0.25 -0.53 2.35 -2.27 0.00 0.00 179.45 178.87 1wry h TRP 55 N -0.39 -1.63 -0.78 1.91 7.01 0.19 0.23 115.95 122.49 1wry h TRP 55 Ca -0.02 0.08 0.17 0.00 2.11 0.00 0.00 58.89 61.23 1wry h TRP 55 Cb 0.36 0.76 -0.14 0.00 -2.10 0.00 0.00 29.16 28.04 1wry h TRP 55 CO -0.23 -0.47 -0.09 1.98 -2.79 0.00 0.00 178.44 176.84 1wry h MET 56 N -0.38 0.04 -0.86 2.65 4.05 0.35 0.60 114.93 121.39 1wry h MET 56 Ca 0.07 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.55 1wry h MET 56 Cb 0.57 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.29 1wry h MET 56 CO -0.57 0.03 0.53 0.00 0.23 0.00 0.00 176.91 177.13 1wry h ARG 57 N 0.04 0.92 0.00 0.39 3.08 0.35 1.00 114.38 120.17 1wry h ARG 57 Ca 0.40 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1wry h ARG 57 Cb 0.68 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1wry h ARG 57 CO -0.74 0.61 0.00 0.93 -1.07 0.00 0.00 179.97 179.70 1wry h GLU 58 N 0.95 0.00 0.04 0.04 4.39 0.30 -3.05 114.58 117.24 1wry h GLU 58 Ca 0.38 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.83 1wry h GLU 58 Cb 0.20 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1wry h GLU 58 CO -0.19 0.00 -1.34 -0.91 -1.16 0.00 0.00 179.01 175.41 1wry h ASN 59 N 0.00 0.12 -1.38 1.42 2.35 0.22 -3.47 115.58 114.84 1wry h ASN 59 Ca 0.00 -0.66 -0.71 0.00 -0.55 0.00 0.00 56.30 54.38 1wry h ASN 59 Cb 0.48 -0.04 0.07 0.00 0.05 0.00 0.00 38.32 38.87 1wry h ASN 59 CO 0.00 1.55 0.12 0.52 -1.65 0.00 0.00 177.43 177.97 1wry n VAL 60 N -4.21 0.49 -2.38 2.81 0.31 0.31 -4.88 118.33 110.78 1wry n VAL 60 Ca -0.30 -0.12 -0.34 0.00 -0.01 0.00 0.00 64.34 63.57 1wry n VAL 60 Cb 0.76 -0.39 -0.02 0.00 -0.91 0.00 0.00 33.84 33.29 1wry n VAL 60 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wry s PRO 61 N -0.12 3.66 0.34 5.55 0.04 -1.26 -4.86 135.00 138.34 1wry s PRO 61 Ca 0.82 1.29 0.05 0.00 0.04 0.00 0.00 61.00 63.20 1wry s PRO 61 Cb -1.05 -2.08 0.62 0.00 0.04 0.00 0.00 34.50 32.03 1wry s PRO 61 CO 0.53 -0.54 1.87 1.49 0.04 0.00 0.00 177.00 180.39 1wry h GLU 62 N 1.18 0.45 0.00 4.56 4.81 -1.93 0.38 114.58 124.04 1wry h GLU 62 Ca -0.49 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1wry h GLU 62 Cb 1.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1wry h GLU 62 CO 0.59 0.53 0.00 0.09 -0.73 0.00 0.00 179.01 179.48 1wry n ASN 63 N -4.26 0.00 -0.00 1.04 4.13 -1.26 -2.07 115.26 112.83 1wry n ASN 63 Ca 0.01 0.27 0.04 0.00 1.68 0.00 0.00 54.58 56.57 1wry n ASN 63 Cb 0.27 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 38.06 1wry n ASN 63 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wry n SER 64 N -1.39 3.15 -4.77 6.41 7.64 0.00 -5.02 113.62 119.65 1wry n SER 64 Ca 0.06 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.55 1wry n SER 64 Cb 0.16 1.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.71 1wry n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wry s ARG 65 N -2.55 3.80 0.00 1.43 0.52 0.11 -4.95 118.95 117.32 1wry s ARG 65 Ca -0.03 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 1wry s ARG 65 Cb 0.05 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1wry s ARG 65 CO 0.34 -0.62 0.00 -0.35 0.02 0.00 0.00 175.30 174.69 1wry n PRO 66 N -0.15 0.68 -0.12 3.54 -0.04 -1.26 -4.97 135.00 132.69 1wry n PRO 66 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 1wry n PRO 66 Cb 0.44 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.79 1wry n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wry n ALA 67 N -3.00 1.21 -1.00 0.55 0.00 -1.26 -4.69 120.51 112.32 1wry n ALA 67 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1wry n ALA 67 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1wry n ALA 67 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wry n THR 68 N -3.87 0.00 0.00 0.00 5.66 -1.26 -4.96 114.28 109.85 1wry n THR 68 Ca -0.48 1.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.52 1wry n THR 68 Cb 0.92 -1.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.07 1wry n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wry n GLY 69 N -0.86 -0.51 3.93 1.09 0.00 -1.26 -5.16 105.19 102.42 1wry n GLY 69 Ca 0.00 0.37 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 1wry n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wry s TYR 70 N 0.13 3.32 0.08 1.61 2.02 -1.26 -4.45 117.35 118.80 1wry s TYR 70 Ca 0.00 0.45 -0.30 0.00 -0.37 0.00 0.00 57.07 56.84 1wry s TYR 70 Cb 0.00 -2.37 -0.06 0.00 -0.40 0.00 0.00 41.96 39.13 1wry s TYR 70 CO 0.00 -0.41 1.16 -1.25 -1.57 0.00 0.00 175.55 173.48 1wry s PRO 71 N -4.67 4.48 0.32 -1.71 0.04 -1.26 -4.64 135.00 127.56 1wry s PRO 71 Ca 0.49 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.13 1wry s PRO 71 Cb -0.10 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 31.02 1wry s PRO 71 CO 0.41 -0.17 0.69 -0.51 0.04 0.00 0.00 177.00 177.46 1wry s LEU 72 N 0.75 4.03 0.86 -3.56 1.43 -1.26 -5.03 118.68 115.91 1wry s LEU 72 Ca 0.56 1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 54.68 1wry s LEU 72 Cb -0.29 -3.95 0.11 0.00 0.03 0.00 0.00 46.19 42.09 1wry s LEU 72 CO 0.30 -0.22 1.12 -2.16 0.23 0.00 0.00 176.35 175.62 1wry s PRO 73 N -3.19 1.53 0.61 1.29 0.04 -1.26 -4.55 135.00 129.46 1wry s PRO 73 Ca 0.51 0.43 -0.15 0.00 0.04 0.00 0.00 61.00 61.83 1wry s PRO 73 Cb -0.10 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1wry s PRO 73 CO 0.22 -1.96 1.05 -1.25 0.04 0.00 0.00 177.00 175.10 1wry s PRO 74 N -5.23 3.31 -0.23 0.56 0.04 -1.26 -4.88 135.00 127.30 1wry s PRO 74 Ca 0.63 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1wry s PRO 74 Cb -0.15 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1wry s PRO 74 CO 0.54 -0.81 -0.05 -0.65 0.04 0.00 0.00 177.00 176.06 1wry s GLN 75 N -4.28 1.61 0.15 4.56 -1.52 -0.85 -3.34 119.66 115.99 1wry s GLN 75 Ca 0.62 -0.96 -0.26 0.00 -1.95 0.00 0.00 55.36 52.81 1wry s GLN 75 Cb -0.15 -2.56 -0.08 0.00 -0.22 0.00 0.00 33.01 30.01 1wry s GLN 75 CO 0.40 -0.59 0.80 0.42 -0.25 0.00 0.00 175.29 176.07 1wry s ILE 76 N 1.41 4.40 -0.09 1.08 1.09 -0.36 0.19 121.20 128.93 1wry s ILE 76 Ca -0.05 1.75 -0.04 0.00 -1.10 0.00 0.00 60.65 61.20 1wry s ILE 76 Cb -0.19 -4.16 0.04 0.00 -1.06 0.00 0.00 42.46 37.10 1wry s ILE 76 CO -0.06 0.49 0.21 -0.36 -0.10 0.00 0.00 174.94 175.11 1wry s PHE 77 N -0.92 -0.27 -0.78 3.97 0.40 0.19 -2.66 117.98 117.91 1wry s PHE 77 Ca 0.37 0.68 -0.23 0.00 -0.60 0.00 0.00 56.93 57.15 1wry s PHE 77 Cb -0.23 -0.01 0.07 0.00 0.51 0.00 0.00 43.02 43.36 1wry s PHE 77 CO 0.26 -0.21 1.15 1.21 0.70 0.00 0.00 175.22 178.33 1wry s ASN 78 N 1.29 6.29 0.00 1.36 3.84 0.12 0.32 114.94 128.17 1wry s ASN 78 Ca -0.09 -1.09 0.00 0.00 0.21 0.00 0.00 52.86 51.89 1wry s ASN 78 Cb -0.11 -2.48 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 1wry s ASN 78 CO -0.08 -1.50 0.00 -0.62 -2.79 0.00 0.00 177.10 172.12 1wry n GLU 79 N 8.14 0.00 0.00 0.43 1.02 0.49 -1.36 120.64 129.37 1wry n GLU 79 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1wry n GLU 79 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1wry n GLU 79 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wry n SER 80 N 1.19 0.00 -4.70 1.62 3.41 -1.26 -4.83 113.62 109.04 1wry n SER 80 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1wry n SER 80 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1wry n SER 80 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wry s GLN 81 N -1.00 1.29 0.09 4.33 -1.52 -0.47 -4.99 119.66 117.39 1wry s GLN 81 Ca 0.00 1.04 -0.03 0.00 -1.95 0.00 0.00 55.36 54.41 1wry s GLN 81 Cb 0.00 -1.80 -0.05 0.00 -0.22 0.00 0.00 33.01 30.95 1wry s GLN 81 CO 0.00 -2.28 0.30 -0.47 -0.25 0.00 0.00 175.29 172.59 1wry s TYR 82 N -2.84 3.51 0.04 0.91 6.14 -1.26 0.14 117.35 124.00 1wry s TYR 82 Ca 0.64 0.44 -0.01 0.00 0.64 0.00 0.00 57.07 58.78 1wry s TYR 82 Cb -0.19 -1.91 -0.00 0.00 0.42 0.00 0.00 41.96 40.27 1wry s TYR 82 CO 0.58 0.52 -0.02 0.54 0.64 0.00 0.00 175.55 177.81 1wry n ARG 83 N 0.33 0.03 -3.45 4.97 5.12 -1.09 -4.76 116.66 117.80 1wry n ARG 83 Ca -0.05 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1wry n ARG 83 Cb 0.52 -0.55 0.00 0.00 -1.16 0.00 0.00 32.46 31.27 1wry n ARG 83 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wry n GLY 84 N 3.19 -1.56 3.84 -0.13 0.00 -1.24 -5.05 105.19 104.25 1wry n GLY 84 Ca -0.02 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 1wry n GLY 84 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wry s ASP 85 N -2.35 4.45 0.46 1.61 -4.77 -1.26 -1.22 116.67 113.59 1wry s ASP 85 Ca 0.00 -1.37 0.34 0.00 -3.30 0.00 0.00 52.55 48.23 1wry s ASP 85 Cb 0.00 0.37 1.52 0.00 -1.09 0.00 0.00 42.92 43.72 1wry s ASP 85 CO 0.00 -0.97 1.58 0.22 0.70 0.00 0.00 175.17 176.70 1wry h TYR 86 N 1.01 0.46 0.42 2.11 5.03 -1.90 1.04 116.97 125.14 1wry h TYR 86 Ca -0.40 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 60.91 1wry h TYR 86 Cb 1.30 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.48 1wry h TYR 86 CO 1.13 -0.25 -0.20 -0.44 -1.32 0.00 0.00 178.16 177.07 1wry h ASP 87 N 0.01 -0.48 -0.18 -2.11 3.32 -1.93 0.28 116.42 115.32 1wry h ASP 87 Ca 0.89 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.87 1wry h ASP 87 Cb 2.93 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 42.59 1wry h ASP 87 CO -0.42 -0.31 -0.04 0.00 -1.72 0.00 0.00 179.24 176.75 1wry h ALA 88 N -0.05 1.35 0.07 3.45 0.00 0.53 -1.52 119.26 123.10 1wry h ALA 88 Ca -0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wry h ALA 88 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wry h ALA 88 CO 0.10 0.44 -0.03 0.35 0.00 0.00 0.00 179.25 180.10 1wry h PHE 89 N 0.47 -0.09 -0.05 0.00 3.57 0.09 0.11 116.94 121.04 1wry h PHE 89 Ca 0.10 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1wry h PHE 89 Cb 0.37 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1wry h PHE 89 CO 0.01 0.03 0.03 0.35 -2.23 0.00 0.00 178.31 176.50 1wry h PHE 90 N -0.19 0.07 0.19 0.41 3.57 -0.21 -1.23 116.94 119.54 1wry h PHE 90 Ca -0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1wry h PHE 90 Cb 0.16 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1wry h PHE 90 CO -0.04 0.08 -0.25 1.49 -2.23 0.00 0.00 178.31 177.36 1wry h GLU 91 N 0.03 -0.48 -0.18 1.11 4.81 -1.21 0.22 114.58 118.87 1wry h GLU 91 Ca 0.02 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1wry h GLU 91 Cb 0.04 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1wry h GLU 91 CO -0.00 -0.32 0.27 0.00 -0.73 0.00 0.00 179.01 178.23 1wry h ALA 92 N 0.19 1.70 0.06 2.92 0.00 -0.66 -0.22 119.26 123.24 1wry h ALA 92 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wry h ALA 92 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wry h ALA 92 CO -0.10 -0.37 -0.03 -0.09 0.00 0.00 0.00 179.25 178.67 1wry h ARG 93 N 0.00 -0.07 -0.92 0.00 2.43 0.40 1.51 114.38 117.73 1wry h ARG 93 Ca 0.09 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.41 1wry h ARG 93 Cb 0.63 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 1wry h ARG 93 CO -0.00 0.44 0.59 0.93 -1.51 0.00 0.00 179.97 180.42 1wry h GLU 94 N -0.95 0.71 -0.22 0.20 4.39 0.47 1.22 114.58 120.40 1wry h GLU 94 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wry h GLU 94 Cb 0.55 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1wry h GLU 94 CO 0.01 0.47 0.00 0.09 -1.16 0.00 0.00 179.01 178.42 1wry n ASN 95 N -4.59 1.17 -4.05 1.42 3.02 -0.21 -4.90 115.26 107.12 1wry n ASN 95 Ca 0.18 -2.00 -0.40 0.00 -0.03 0.00 0.00 54.58 52.33 1wry n ASN 95 Cb 0.48 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1wry n ASN 95 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wry n ASN 96 N 0.14 -3.18 -0.39 6.41 3.02 0.42 -4.82 115.26 116.86 1wry n ASN 96 Ca 0.07 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1wry n ASN 96 Cb 0.18 -2.02 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 1wry n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wry n ALA 97 N -4.80 1.78 -0.06 5.41 0.00 0.48 -3.87 120.51 119.46 1wry n ALA 97 Ca -0.16 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 1wry n ALA 97 Cb 0.60 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 1wry n ALA 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wry h VAL 98 N 5.82 0.05 -0.97 0.00 2.07 -0.77 0.11 116.25 122.56 1wry h VAL 98 Ca 0.00 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.80 1wry h VAL 98 Cb 1.25 0.05 -0.18 0.00 -1.52 0.00 0.00 31.29 30.90 1wry h VAL 98 CO 0.00 0.00 0.12 1.88 0.02 0.00 0.00 177.57 179.59 1wry h TYR 99 N -0.48 0.11 -0.52 1.57 0.05 -1.90 1.44 116.97 117.24 1wry h TYR 99 Ca 0.07 0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.87 1wry h TYR 99 Cb 0.64 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 1wry h TYR 99 CO -0.60 -0.41 0.14 0.00 -1.05 0.00 0.00 178.16 176.24 1wry h ALA 100 N 1.96 0.68 0.00 3.88 0.00 -1.06 0.93 119.26 125.65 1wry h ALA 100 Ca 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1wry h ALA 100 Cb 1.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wry h ALA 100 CO -0.87 0.37 0.00 0.34 0.00 0.00 0.00 179.25 179.09 1wry n PHE 101 N -4.45 0.00 0.34 0.00 7.35 0.47 -0.92 117.46 120.25 1wry n PHE 101 Ca 0.02 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.75 1wry n PHE 101 Cb 0.22 -0.47 0.02 0.00 0.35 0.00 0.00 39.48 39.60 1wry n PHE 101 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1wry n LEU 102 N -1.47 1.49 -0.86 -2.13 4.77 0.46 -4.78 117.00 114.48 1wry n LEU 102 Ca 0.03 -0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 54.98 1wry n LEU 102 Cb 0.12 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1wry n LEU 102 CO 0.10 0.30 -0.11 0.61 -1.33 0.00 0.00 177.39 176.96 1wry n GLY 103 N 0.56 1.05 1.91 -0.72 0.00 0.38 -4.89 105.19 103.48 1wry n GLY 103 Ca 0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1wry n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wry n LEU 104 N -1.25 0.00 -4.54 0.99 4.77 0.29 -4.97 117.00 112.29 1wry n LEU 104 Ca -0.11 -1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 54.45 1wry n LEU 104 Cb 0.38 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 1wry n LEU 104 CO 0.16 -0.69 -0.43 -0.89 -1.33 0.00 0.00 177.39 174.21 1wry s THR 105 N -1.15 3.26 0.16 -5.08 2.01 -1.26 -4.30 115.64 109.27 1wry s THR 105 Ca 0.31 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1wry s THR 105 Cb -0.02 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1wry s THR 105 CO 0.21 0.32 0.38 0.00 -0.69 0.00 0.00 174.62 174.84 1wry s ALA 106 N -1.01 3.79 0.41 7.40 0.00 -1.26 -4.97 121.76 126.13 1wry s ALA 106 Ca 0.17 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.28 1wry s ALA 106 Cb -0.11 -2.11 -0.09 0.00 0.00 0.00 0.00 23.12 20.81 1wry s ALA 106 CO 0.08 0.61 1.05 -1.25 0.00 0.00 0.00 175.76 176.25 1wry s PRO 107 N -2.81 4.10 -1.21 0.00 0.04 -1.26 -4.93 135.00 128.93 1wry s PRO 107 Ca 0.41 1.50 -0.20 0.00 0.04 0.00 0.00 61.00 62.74 1wry s PRO 107 Cb -0.12 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1wry s PRO 107 CO 0.26 -0.19 1.89 -0.35 0.04 0.00 0.00 177.00 178.64 1wry n PRO 108 N -0.22 2.36 0.00 0.56 -0.04 -1.26 -3.27 135.00 133.13 1wry n PRO 108 Ca 0.06 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 1wry n PRO 108 Cb 0.50 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 1wry n PRO 108 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wry n GLY 109 N 5.31 0.00 3.28 0.55 0.00 -1.26 -5.14 105.19 107.93 1wry n GLY 109 Ca 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 1wry n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry s SER 110 N 0.00 0.04 0.21 1.61 0.01 -1.20 -5.01 113.70 109.35 1wry s SER 110 Ca 0.00 -0.71 -0.17 0.00 1.31 0.00 0.00 55.95 56.38 1wry s SER 110 Cb 0.00 0.40 0.20 0.00 0.21 0.00 0.00 66.02 66.83 1wry s SER 110 CO 0.00 -0.82 1.59 0.50 0.41 0.00 0.00 173.24 174.92 1wry h LYS 111 N 2.61 -0.09 -1.10 12.44 1.63 -1.94 1.41 116.57 131.54 1wry h LYS 111 Ca -0.33 0.01 0.30 0.00 -0.85 0.00 0.00 60.65 59.78 1wry h LYS 111 Cb 1.22 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.79 1wry h LYS 111 CO 0.51 -0.06 0.74 0.93 -3.45 0.00 0.00 179.45 178.12 1wry h GLU 112 N -0.09 0.23 0.08 1.90 3.07 -1.92 1.14 114.58 118.99 1wry h GLU 112 Ca 0.29 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.97 1wry h GLU 112 Cb 0.55 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1wry h GLU 112 CO -0.73 0.15 -0.79 0.00 -1.40 0.00 0.00 179.01 176.25 1wry h ALA 113 N 1.55 0.04 -0.12 3.43 0.00 0.12 -3.40 119.26 120.89 1wry h ALA 113 Ca 0.59 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wry h ALA 113 Cb 1.81 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1wry h ALA 113 CO -0.21 0.42 0.00 0.39 0.00 0.00 0.00 179.25 179.86 1wry n GLU 114 N -4.25 0.00 -3.70 0.00 -0.58 0.29 -4.92 120.64 107.47 1wry n GLU 114 Ca -0.18 0.48 -0.31 0.00 -0.42 0.00 0.00 57.16 56.74 1wry n GLU 114 Cb 0.73 -1.42 0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1wry n GLU 114 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1wry n VAL 115 N -1.94 -3.45 -3.37 2.62 0.31 0.37 -4.96 118.33 107.91 1wry n VAL 115 Ca 0.00 0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 1wry n VAL 115 Cb 0.00 -3.10 -0.09 0.00 -0.91 0.00 0.00 33.84 29.74 1wry n VAL 115 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1wry s SER 116 N -2.41 0.54 0.00 4.52 0.15 -1.26 -5.11 113.70 110.13 1wry s SER 116 Ca 0.15 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1wry s SER 116 Cb -0.02 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.25 1wry s SER 116 CO 0.89 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.63 1wry n GLY 117 N 5.35 -1.16 3.61 9.45 0.00 -1.26 -5.10 105.19 116.09 1wry n GLY 117 Ca -0.03 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1wry n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wry s PRO 118 N -1.50 3.72 0.10 1.61 0.04 -1.26 -4.96 135.00 132.75 1wry s PRO 118 Ca 0.00 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 1wry s PRO 118 Cb 0.00 -3.97 0.06 0.00 0.04 0.00 0.00 34.50 30.63 1wry s PRO 118 CO 0.00 -1.38 0.54 -1.54 0.04 0.00 0.00 177.00 174.66 1wry s SER 119 N 3.50 -0.46 0.07 6.66 1.04 -1.26 -5.09 113.70 118.16 1wry s SER 119 Ca 0.60 0.03 -0.00 0.00 0.48 0.00 0.00 55.95 57.05 1wry s SER 119 Cb -0.15 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 1wry s SER 119 CO 0.29 -0.85 -0.01 -1.54 0.98 0.00 0.00 173.24 172.11 1wry n SER 120 N -0.03 0.85 0.00 7.02 3.41 -1.26 -5.23 113.62 118.38 1wry n SER 120 Ca -0.17 0.11 0.16 0.00 -0.26 0.00 0.00 58.87 58.70 1wry n SER 120 Cb 0.63 -0.26 0.93 0.00 -0.26 0.00 0.00 64.21 65.25 1wry n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49