#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 1.77 -0.38 1.61 0.15 -1.26 -5.08 113.70 110.52 1wry s SER 2 Ca 0.00 -0.23 -0.35 0.00 0.70 0.00 0.00 55.95 56.07 1wry s SER 2 Cb 0.00 -0.69 -0.12 0.00 -1.71 0.00 0.00 66.02 63.50 1wry s SER 2 CO 0.00 -0.09 2.21 -1.20 1.20 0.00 0.00 173.24 175.36 1wry n SER 3 N 4.61 2.02 -3.94 5.45 7.64 -1.26 -4.91 113.62 123.23 1wry n SER 3 Ca -0.16 0.38 -0.24 0.00 1.01 0.00 0.00 58.87 59.87 1wry n SER 3 Cb 0.50 -1.25 -0.17 0.00 -1.01 0.00 0.00 64.21 62.29 1wry n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wry s GLY 4 N 7.48 0.70 0.30 0.23 0.00 -1.26 -4.98 107.32 109.79 1wry s GLY 4 Ca 1.10 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1wry s GLY 4 CO 0.49 0.45 0.00 -1.26 0.00 0.00 0.00 173.10 172.78 1wry n SER 5 N 4.27 -1.20 -4.34 1.64 2.88 -1.26 -5.12 113.62 110.48 1wry n SER 5 Ca -0.19 0.54 -0.29 0.00 -1.33 0.00 0.00 58.87 57.60 1wry n SER 5 Cb 0.51 1.28 -0.14 0.00 -0.75 0.00 0.00 64.21 65.11 1wry n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wry s SER 6 N -4.14 3.09 0.00 -3.46 0.01 -1.26 -5.10 113.70 102.83 1wry s SER 6 Ca 0.00 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1wry s SER 6 Cb 0.00 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1wry s SER 6 CO 0.00 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1wry n GLY 7 N 1.43 4.16 2.91 3.44 0.00 -1.26 -5.12 105.19 110.75 1wry n GLY 7 Ca -0.17 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 44.93 1wry n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wry s MET 8 N -3.03 0.68 0.09 1.61 0.00 -1.26 -5.13 119.30 112.27 1wry s MET 8 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 55.69 55.00 1wry s MET 8 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 34.83 34.78 1wry s MET 8 CO 0.00 -0.91 0.70 0.08 0.00 0.00 0.00 175.02 174.89 1wry s VAL 9 N 1.43 4.61 -0.45 5.16 1.01 -1.26 -4.98 120.40 125.93 1wry s VAL 9 Ca 0.21 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.57 1wry s VAL 9 Cb 0.01 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.42 1wry s VAL 9 CO -0.08 0.48 0.35 -0.63 0.00 0.00 0.00 175.10 175.21 1wry s ILE 10 N -0.76 4.87 -0.25 2.22 -1.09 -1.17 -0.48 121.20 124.55 1wry s ILE 10 Ca 0.34 -1.18 -0.10 0.00 -2.23 0.00 0.00 60.65 57.48 1wry s ILE 10 Cb -0.21 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1wry s ILE 10 CO 0.23 -0.55 0.15 -0.13 -1.23 0.00 0.00 174.94 173.40 1wry s ARG 11 N 1.56 3.97 -0.17 2.79 0.52 0.11 0.21 118.95 127.95 1wry s ARG 11 Ca 0.04 -0.32 -0.05 0.00 -0.52 0.00 0.00 55.73 54.88 1wry s ARG 11 Cb -0.24 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 1wry s ARG 11 CO 0.05 -0.02 -0.01 0.08 0.02 0.00 0.00 175.30 175.42 1wry s VAL 12 N 1.26 4.03 -0.54 3.52 1.01 0.30 0.06 120.40 130.04 1wry s VAL 12 Ca 0.07 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 1wry s VAL 12 Cb -0.14 -2.79 0.13 0.00 0.00 0.00 0.00 36.38 33.58 1wry s VAL 12 CO 0.06 0.47 0.52 -0.31 0.00 0.00 0.00 175.10 175.84 1wry s TYR 13 N 0.53 3.23 0.49 5.22 1.51 0.38 0.75 117.35 129.46 1wry s TYR 13 Ca -0.02 -1.26 0.08 0.00 -1.01 0.00 0.00 57.07 54.86 1wry s TYR 13 Cb -0.14 -3.82 0.03 0.00 -0.11 0.00 0.00 41.96 37.92 1wry s TYR 13 CO 0.02 -1.04 0.51 0.96 -1.11 0.00 0.00 175.55 174.89 1wry s ILE 14 N 1.70 2.29 -0.61 2.71 -4.36 0.51 -1.69 121.20 121.75 1wry s ILE 14 Ca 0.04 -1.26 0.05 0.00 -0.26 0.00 0.00 60.65 59.22 1wry s ILE 14 Cb -0.29 -2.55 0.31 0.00 1.25 0.00 0.00 42.46 41.17 1wry s ILE 14 CO 0.03 0.00 0.89 0.00 0.24 0.00 0.00 174.94 176.11 1wry n ALA 15 N -1.82 4.49 -1.43 2.27 0.00 -1.26 0.20 120.51 122.96 1wry n ALA 15 Ca 0.06 -4.74 -0.56 0.00 0.00 0.00 0.00 53.44 48.20 1wry n ALA 15 Cb 0.62 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 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 0.17 0.27 -0.17 0.00 2.88 -1.26 -1.34 113.62 114.17 1wry n SER 16 Ca 0.31 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 1wry n SER 16 Cb 0.40 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 1.94 -1.05 -4.59 -3.46 2.88 -1.26 -4.52 113.62 103.56 1wry n SER 17 Ca 0.21 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.32 1wry n SER 17 Cb 0.04 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 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 -2.71 6.62 0.25 -3.46 0.15 -0.45 -4.91 113.70 109.17 1wry s SER 18 Ca 0.00 0.41 -0.08 0.00 0.70 0.00 0.00 55.95 56.98 1wry s SER 18 Cb 0.00 -2.49 0.41 0.00 -1.71 0.00 0.00 66.02 62.23 1wry s SER 18 CO 0.00 -1.06 1.62 1.23 1.20 0.00 0.00 173.24 176.22 1wry h GLY 19 N 10.64 0.76 -7.53 9.45 0.00 -1.95 -3.35 103.07 111.09 1wry h GLY 19 Ca -0.23 0.17 -0.37 0.00 0.00 0.00 0.00 47.33 46.90 1wry h GLY 19 CO 1.05 -0.31 1.24 -0.56 0.00 0.00 0.00 176.54 177.97 1wry s SER 20 N -5.20 4.45 0.40 0.19 0.01 -1.26 -4.77 113.70 107.51 1wry s SER 20 Ca -0.14 0.71 0.18 0.00 1.31 0.00 0.00 55.95 58.02 1wry s SER 20 Cb 0.23 -2.52 1.10 0.00 0.21 0.00 0.00 66.02 65.04 1wry s SER 20 CO 0.76 -3.02 1.77 0.74 0.41 0.00 0.00 173.24 173.90 1wry h THR 21 N 7.58 0.53 -0.80 1.44 2.02 -2.01 0.35 112.91 122.03 1wry h THR 21 Ca -0.18 -0.14 0.18 0.00 0.77 0.00 0.00 66.41 67.04 1wry h THR 21 Cb 1.19 0.10 -0.11 0.00 -1.74 0.00 0.00 68.15 67.58 1wry h THR 21 CO 1.14 0.07 0.26 0.00 0.37 0.00 0.00 175.52 177.36 1wry h ALA 22 N 1.62 1.12 0.65 6.16 0.00 -1.91 0.52 119.26 127.43 1wry h ALA 22 Ca 0.59 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.63 1wry h ALA 22 Cb 1.49 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.48 1wry h ALA 22 CO -0.29 -0.32 -0.31 0.82 0.00 0.00 0.00 179.25 179.14 1wry h ILE 23 N 0.33 0.24 -1.00 0.00 2.04 -0.64 -0.42 117.51 118.06 1wry h ILE 23 Ca 0.46 -0.24 0.18 0.00 1.00 0.00 0.00 64.86 66.26 1wry h ILE 23 Cb 0.82 0.31 -0.18 0.00 -0.74 0.00 0.00 36.82 37.02 1wry h ILE 23 CO -0.51 0.02 -0.30 0.11 0.00 0.00 0.00 178.15 177.47 1wry h LYS 24 N -1.07 -0.00 0.49 2.37 1.57 -1.00 0.84 116.57 119.78 1wry h LYS 24 Ca -0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1wry h LYS 24 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1wry h LYS 24 CO 0.15 -0.00 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.55 1wry h LYS 25 N -0.00 -0.67 -0.90 3.15 3.64 -0.82 0.40 116.57 121.37 1wry h LYS 25 Ca 0.43 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.96 1wry h LYS 25 Cb 0.68 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.53 1wry h LYS 25 CO -1.01 -0.44 -0.53 0.87 -2.27 0.00 0.00 179.45 176.06 1wry h LYS 26 N -0.69 -0.06 -0.41 1.90 1.57 0.79 1.57 116.57 121.25 1wry h LYS 26 Ca -0.07 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1wry h LYS 26 Cb 0.54 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 1wry h LYS 26 CO 0.09 -0.04 -0.05 1.96 -0.57 0.00 0.00 179.45 180.85 1wry h GLN 27 N -0.06 0.05 0.00 3.15 4.20 0.69 0.34 115.11 123.48 1wry h GLN 27 Ca 0.19 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1wry h GLN 27 Cb 0.48 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wry h GLN 27 CO -0.89 0.03 -0.09 1.96 -0.67 0.00 0.00 178.83 179.17 1wry h GLN 28 N 0.05 0.00 -0.04 1.46 4.20 0.44 0.12 115.11 121.34 1wry h GLN 28 Ca 0.20 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 1wry h GLN 28 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1wry h GLN 28 CO -0.38 0.09 -0.70 0.22 -0.67 0.00 0.00 178.83 177.39 1wry h ASP 29 N 0.00 0.25 0.82 1.46 3.58 0.58 0.77 116.42 123.88 1wry h ASP 29 Ca -0.00 -0.16 -0.24 0.00 0.42 0.00 0.00 57.03 57.05 1wry h ASP 29 Cb 0.22 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1wry h ASP 29 CO 0.01 0.87 -1.14 0.58 -2.88 0.00 0.00 179.24 176.68 1wry h VAL 30 N 0.14 1.59 0.03 2.25 2.07 0.55 -2.79 116.25 120.09 1wry h VAL 30 Ca -0.02 -3.24 -0.00 0.00 0.82 0.00 0.00 66.70 64.26 1wry h VAL 30 Cb 1.24 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1wry h VAL 30 CO 0.11 0.93 -0.02 -0.07 0.02 0.00 0.00 177.57 178.54 1wry h LEU 31 N 0.03 -0.04 -0.97 2.57 3.38 -0.73 -2.83 115.31 116.73 1wry h LEU 31 Ca -0.08 -0.52 0.20 0.00 0.09 0.00 0.00 57.88 57.57 1wry h LEU 31 Cb 1.87 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 42.51 1wry h LEU 31 CO 0.16 0.70 0.55 1.23 0.09 0.00 0.00 178.44 181.17 1wry h GLY 32 N -0.97 1.72 0.81 0.83 0.00 0.44 0.56 103.07 106.46 1wry h GLY 32 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1wry h GLY 32 CO 0.01 -0.12 -0.03 -2.75 0.00 0.00 0.00 176.54 173.64 1wry h PHE 33 N 0.66 -0.08 0.00 5.60 3.57 -1.59 0.92 116.94 126.02 1wry h PHE 33 Ca 0.57 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.05 1wry h PHE 33 Cb 0.94 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1wry h PHE 33 CO -0.04 0.13 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.02 1wry h LEU 34 N -0.29 0.00 0.12 0.59 3.38 -0.92 0.16 115.31 118.35 1wry h LEU 34 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1wry h LEU 34 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1wry h LEU 34 CO 0.02 0.08 -0.96 -0.33 0.09 0.00 0.00 178.44 177.34 1wry h GLU 35 N 0.00 0.25 -0.18 1.13 5.08 0.64 1.20 114.58 122.70 1wry h GLU 35 Ca -0.00 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 1wry h GLU 35 Cb 0.32 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1wry h GLU 35 CO 0.01 1.20 -0.21 0.00 -1.00 0.00 0.00 179.01 179.01 1wry h ALA 36 N 0.01 1.31 -0.11 3.43 0.00 0.13 -0.44 119.26 123.58 1wry h ALA 36 Ca -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wry h ALA 36 Cb 1.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1wry h ALA 36 CO 0.10 0.47 0.00 0.09 0.00 0.00 0.00 179.25 179.90 1wry n ASN 37 N -4.18 1.29 -3.91 0.00 3.02 0.52 -4.92 115.26 107.09 1wry n ASN 37 Ca -0.01 -1.61 -0.29 0.00 -0.03 0.00 0.00 54.58 52.64 1wry n ASN 37 Cb 0.35 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.06 -2.36 -3.53 3.52 4.76 -0.18 -4.93 118.16 115.51 1wry n LYS 38 Ca 0.16 0.37 -0.32 0.00 -2.87 0.00 0.00 58.31 55.66 1wry n LYS 38 Cb 0.28 -4.20 -0.05 0.00 -1.84 0.00 0.00 35.03 29.22 1wry n LYS 38 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1wry s ILE 39 N -3.82 5.03 -1.32 -0.18 1.01 0.41 -5.00 121.20 117.33 1wry s ILE 39 Ca 0.17 0.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 1wry s ILE 39 Cb -0.07 -3.62 0.13 0.00 0.01 0.00 0.00 42.46 38.91 1wry s ILE 39 CO 0.89 -0.01 1.93 0.61 0.00 0.00 0.00 174.94 178.36 1wry n GLY 40 N -0.01 4.52 3.97 6.18 0.00 -1.26 -4.76 105.19 113.82 1wry n GLY 40 Ca -0.01 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 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 1.27 1.82 0.08 1.61 -0.71 -1.26 -3.06 117.98 117.73 1wry s PHE 41 Ca 0.42 -0.69 0.05 0.00 -1.04 0.00 0.00 56.93 55.67 1wry s PHE 41 Cb 0.10 -2.14 -0.03 0.00 -1.21 0.00 0.00 43.02 39.73 1wry s PHE 41 CO -0.02 -0.73 -0.13 -1.21 -1.34 0.00 0.00 175.22 171.79 1wry s GLU 42 N -4.45 0.82 -0.29 1.99 0.41 0.56 -4.86 118.70 112.89 1wry s GLU 42 Ca 0.51 -0.99 -0.08 0.00 -0.41 0.00 0.00 54.97 54.00 1wry s GLU 42 Cb -0.05 -0.77 -0.01 0.00 -1.78 0.00 0.00 34.13 31.53 1wry s GLU 42 CO 0.32 0.16 0.11 -1.21 -0.49 0.00 0.00 175.26 174.15 1wry s GLU 43 N -1.92 3.34 -0.21 1.61 2.02 -1.26 -0.53 118.70 121.74 1wry s GLU 43 Ca -0.01 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.27 1wry s GLU 43 Cb -0.09 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.72 1wry s GLU 43 CO 0.02 -0.37 -0.12 0.15 0.02 0.00 0.00 175.26 174.96 1wry s LYS 44 N 1.58 2.97 0.05 1.61 -0.14 0.23 -4.95 119.74 121.08 1wry s LYS 44 Ca 0.04 -0.87 -0.21 0.00 -1.36 0.00 0.00 55.97 53.57 1wry s LYS 44 Cb -0.17 -2.80 -0.06 0.00 -1.68 0.00 0.00 37.83 33.12 1wry s LYS 44 CO 0.04 -0.29 0.63 0.34 -0.76 0.00 0.00 175.35 175.31 1wry s ASP 45 N 1.32 7.09 0.00 2.83 2.15 -1.25 0.19 116.67 129.00 1wry s ASP 45 Ca 0.03 1.29 0.08 0.00 0.43 0.00 0.00 52.55 54.38 1wry s ASP 45 Cb -0.15 -2.39 -0.07 0.00 -0.30 0.00 0.00 42.92 40.01 1wry s ASP 45 CO -0.08 0.17 0.37 2.30 -0.17 0.00 0.00 175.17 177.76 1wry n ILE 46 N 2.24 0.00 0.07 4.11 -5.35 0.54 -4.04 119.36 116.93 1wry n ILE 46 Ca -0.07 -0.33 -0.12 0.00 -0.27 0.00 0.00 62.75 61.95 1wry n ILE 46 Cb 0.50 1.02 -0.08 0.00 -1.74 0.00 0.00 39.64 39.34 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 1.16 -0.23 -0.76 -1.28 0.00 -1.80 -3.41 119.26 112.94 1wry h ALA 47 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wry h ALA 47 Cb 0.20 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1wry h ALA 47 CO 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.86 1wry n ALA 48 N -2.47 0.00 -1.69 0.00 0.00 -1.26 -4.81 120.51 110.28 1wry n ALA 48 Ca -0.09 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1wry n ALA 48 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.60 6.44 -0.17 0.00 0.02 -1.26 -4.88 114.94 112.49 1wry s ASN 49 Ca 0.00 2.70 -0.21 0.00 -1.02 0.00 0.00 52.86 54.33 1wry s ASN 49 Cb 0.00 -2.54 -0.18 0.00 0.02 0.00 0.00 41.25 38.54 1wry s ASN 49 CO 0.00 -1.04 0.35 -0.08 0.02 0.00 0.00 177.10 176.35 1wry h GLU 50 N 9.94 0.00 -0.99 -0.60 4.81 -1.87 -3.31 114.58 122.56 1wry h GLU 50 Ca -0.48 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.00 1wry h GLU 50 Cb 1.23 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.43 1wry h GLU 50 CO 0.94 0.82 -0.05 -0.85 -0.73 0.00 0.00 179.01 179.14 1wry n GLU 51 N -4.54 -0.08 0.20 1.92 0.28 -1.26 0.10 120.64 117.26 1wry n GLU 51 Ca -0.19 1.50 -0.15 0.00 -0.16 0.00 0.00 57.16 58.15 1wry n GLU 51 Cb 0.52 -2.35 -0.07 0.00 1.43 0.00 0.00 31.44 30.97 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 -0.98 0.21 -1.84 4.21 -1.88 1.45 115.58 116.76 1wry h ASN 52 Ca 0.57 0.09 0.00 0.00 1.21 0.00 0.00 56.30 58.17 1wry h ASN 52 Cb 1.10 0.34 -0.02 0.00 -1.12 0.00 0.00 38.32 38.62 1wry h ASN 52 CO -0.96 -0.49 -0.20 -0.09 -1.29 0.00 0.00 177.43 174.41 1wry h ARG 53 N -0.71 -0.43 0.33 0.81 2.43 0.03 0.55 114.38 117.40 1wry h ARG 53 Ca -0.01 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1wry h ARG 53 Cb 0.66 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1wry h ARG 53 CO -0.09 -0.28 -0.30 -0.22 -1.51 0.00 0.00 179.97 177.57 1wry h LYS 54 N -0.44 -0.59 -0.38 0.20 3.64 0.90 0.42 116.57 120.31 1wry h LYS 54 Ca -0.00 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1wry h LYS 54 Cb 0.41 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 1wry h LYS 54 CO -0.05 -0.40 -0.43 2.35 -2.27 0.00 0.00 179.45 178.66 1wry h TRP 55 N -0.62 -1.34 -0.79 1.91 7.01 0.21 0.46 115.95 122.80 1wry h TRP 55 Ca -0.04 0.07 0.13 0.00 2.11 0.00 0.00 58.89 61.15 1wry h TRP 55 Cb 0.53 0.63 -0.14 0.00 -2.10 0.00 0.00 29.16 28.08 1wry h TRP 55 CO -0.15 -0.36 -0.37 1.98 -2.79 0.00 0.00 178.44 176.75 1wry h MET 56 N -0.26 -0.08 -0.71 2.65 4.05 0.28 0.43 114.93 121.29 1wry h MET 56 Ca 0.07 0.01 0.16 0.00 -0.28 0.00 0.00 59.70 59.65 1wry h MET 56 Cb 0.44 0.02 -0.11 0.00 -0.80 0.00 0.00 31.60 31.14 1wry h MET 56 CO -0.50 -0.06 0.08 0.00 0.23 0.00 0.00 176.91 176.66 1wry h ARG 57 N -0.09 0.17 -0.75 0.39 3.08 0.19 0.65 114.38 118.02 1wry h ARG 57 Ca 0.28 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.34 1wry h ARG 57 Cb 0.57 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1wry h ARG 57 CO -0.83 0.11 0.50 0.93 -1.07 0.00 0.00 179.97 179.61 1wry h GLU 58 N 0.17 0.94 0.23 0.04 4.39 0.16 -2.75 114.58 117.76 1wry h GLU 58 Ca 0.39 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 1wry h GLU 58 Cb 0.67 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1wry h GLU 58 CO -0.56 0.63 -0.11 -0.91 -1.16 0.00 0.00 179.01 176.89 1wry h ASN 59 N 0.97 -0.26 -0.94 1.42 2.35 0.15 -3.44 115.58 115.82 1wry h ASN 59 Ca 0.29 -0.26 -0.76 0.00 -0.55 0.00 0.00 56.30 55.01 1wry h ASN 59 Cb -0.04 0.07 0.04 0.00 0.05 0.00 0.00 38.32 38.44 1wry h ASN 59 CO -0.07 0.20 0.18 0.52 -1.65 0.00 0.00 177.43 176.61 1wry n VAL 60 N -5.02 0.00 -2.18 2.81 0.31 0.18 -4.87 118.33 109.55 1wry n VAL 60 Ca -0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.92 1wry n VAL 60 Cb 0.26 -0.10 -0.00 0.00 -0.91 0.00 0.00 33.84 33.09 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 0.61 3.48 0.19 5.55 0.04 -1.26 -4.82 135.00 138.78 1wry s PRO 61 Ca 0.89 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 1wry s PRO 61 Cb -1.24 -2.06 0.12 0.00 0.04 0.00 0.00 34.50 31.36 1wry s PRO 61 CO 0.59 -0.68 1.83 1.49 0.04 0.00 0.00 177.00 180.27 1wry h GLU 62 N 0.71 0.92 0.00 4.56 4.81 -1.92 0.74 114.58 124.41 1wry h GLU 62 Ca -0.47 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1wry h GLU 62 Cb 1.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1wry h GLU 62 CO 0.58 0.66 0.00 -0.91 -0.73 0.00 0.00 179.01 178.61 1wry h ASN 63 N 0.92 0.00 0.00 1.04 2.35 -1.99 0.14 115.58 118.03 1wry h ASN 63 Ca 0.24 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.81 1wry h ASN 63 Cb -0.02 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1wry h ASN 63 CO -0.04 0.00 -1.96 -1.20 -1.65 0.00 0.00 177.43 172.58 1wry n SER 64 N -2.38 1.13 -4.76 5.81 7.64 0.15 -4.99 113.62 116.23 1wry n SER 64 Ca -0.01 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 1wry n SER 64 Cb 0.06 1.23 0.01 0.00 -1.01 0.00 0.00 64.21 64.49 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 -2.68 3.59 0.00 1.43 0.52 0.24 -4.95 118.95 117.09 1wry s ARG 65 Ca -0.07 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 1wry s ARG 65 Cb 0.07 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 33.07 1wry s ARG 65 CO 0.67 -0.79 0.00 -0.35 0.02 0.00 0.00 175.30 174.85 1wry n PRO 66 N -0.49 -0.23 -0.10 3.54 -0.04 -1.26 -4.93 135.00 131.48 1wry n PRO 66 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 1wry n PRO 66 Cb 0.45 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.90 1wry n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wry h ALA 67 N -2.00 0.41 0.00 0.55 0.00 -1.95 -3.46 119.26 112.80 1wry h ALA 67 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wry h ALA 67 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1wry h ALA 67 CO 0.00 -0.09 0.00 -2.37 0.00 0.00 0.00 179.25 176.79 1wry n THR 68 N -4.82 0.00 0.00 0.00 5.66 -1.26 -5.03 114.28 108.83 1wry n THR 68 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1wry n THR 68 Cb 0.06 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 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 -0.01 1.79 1.29 1.09 0.00 -1.26 -5.04 105.19 103.04 1wry n GLY 69 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1wry n GLY 69 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wry n TYR 70 N -0.22 -3.18 -2.48 1.61 4.01 -1.26 -4.75 117.16 110.89 1wry n TYR 70 Ca 0.00 1.74 -0.41 0.00 -0.16 0.00 0.00 57.90 59.07 1wry n TYR 70 Cb 0.00 -2.90 -0.04 0.00 -0.31 0.00 0.00 39.34 36.10 1wry n TYR 70 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wry s PRO 71 N -4.17 4.53 0.36 -0.72 0.04 -1.26 -4.68 135.00 129.10 1wry s PRO 71 Ca 0.00 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 1wry s PRO 71 Cb 0.00 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 1wry s PRO 71 CO 0.00 -0.04 0.73 -0.48 0.04 0.00 0.00 177.00 177.25 1wry s LEU 72 N 0.11 3.95 0.85 -3.56 0.05 -1.26 -5.03 118.68 113.78 1wry s LEU 72 Ca 0.52 1.16 -0.12 0.00 0.05 0.00 0.00 54.13 55.75 1wry s LEU 72 Cb -0.29 -4.00 0.10 0.00 -2.05 0.00 0.00 46.19 39.95 1wry s LEU 72 CO 0.33 -0.30 1.12 -2.16 -0.55 0.00 0.00 176.35 174.79 1wry s PRO 73 N -3.43 1.65 0.73 1.48 0.04 -1.26 -4.58 135.00 129.63 1wry s PRO 73 Ca 0.52 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.92 1wry s PRO 73 Cb -0.10 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1wry s PRO 73 CO 0.25 -1.89 1.07 -1.25 0.04 0.00 0.00 177.00 175.23 1wry s PRO 74 N -5.22 2.61 -0.22 0.56 0.04 -1.26 -4.88 135.00 126.64 1wry s PRO 74 Ca 0.62 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 1wry s PRO 74 Cb -0.15 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1wry s PRO 74 CO 0.54 -1.30 -0.02 -0.65 0.04 0.00 0.00 177.00 175.61 1wry s GLN 75 N -5.09 1.26 0.15 4.56 -1.52 -0.68 -3.70 119.66 114.64 1wry s GLN 75 Ca 0.59 -0.76 -0.26 0.00 -1.95 0.00 0.00 55.36 52.98 1wry s GLN 75 Cb -0.14 -2.39 -0.08 0.00 -0.22 0.00 0.00 33.01 30.18 1wry s GLN 75 CO 0.55 -0.61 0.79 0.42 -0.25 0.00 0.00 175.29 176.18 1wry s ILE 76 N 1.57 4.40 -0.13 1.08 1.09 -0.62 0.14 121.20 128.73 1wry s ILE 76 Ca -0.04 1.72 -0.06 0.00 -1.10 0.00 0.00 60.65 61.17 1wry s ILE 76 Cb -0.18 -4.15 0.05 0.00 -1.06 0.00 0.00 42.46 37.12 1wry s ILE 76 CO -0.07 0.50 0.30 -0.36 -0.10 0.00 0.00 174.94 175.21 1wry s PHE 77 N -1.01 -0.43 -0.77 3.97 0.40 0.11 -3.18 117.98 117.07 1wry s PHE 77 Ca 0.36 0.96 -0.22 0.00 -0.60 0.00 0.00 56.93 57.44 1wry s PHE 77 Cb -0.23 0.11 0.08 0.00 0.51 0.00 0.00 43.02 43.49 1wry s PHE 77 CO 0.26 -0.28 1.10 1.21 0.70 0.00 0.00 175.22 178.21 1wry s ASN 78 N 1.40 6.31 0.00 1.36 3.84 0.22 0.09 114.94 128.17 1wry s ASN 78 Ca -0.09 -1.22 0.00 0.00 0.21 0.00 0.00 52.86 51.76 1wry s ASN 78 Cb -0.10 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1wry s ASN 78 CO -0.10 -1.41 0.00 -0.62 -2.79 0.00 0.00 177.10 172.18 1wry n GLU 79 N 7.78 0.00 0.00 0.43 1.02 0.37 -1.44 120.64 128.81 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 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 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 1.37 0.00 -4.64 1.62 3.41 -1.26 -4.86 113.62 109.25 1wry n SER 80 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1wry n SER 80 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.45 -0.12 4.33 -1.52 -0.52 -5.00 119.66 116.28 1wry s GLN 81 Ca 0.00 0.86 -0.05 0.00 -1.95 0.00 0.00 55.36 54.22 1wry s GLN 81 Cb 0.00 -1.71 -0.04 0.00 -0.22 0.00 0.00 33.01 31.04 1wry s GLN 81 CO 0.00 -2.81 0.07 -0.47 -0.25 0.00 0.00 175.29 171.83 1wry s TYR 82 N -2.77 3.35 -0.14 0.91 6.14 -1.26 -0.61 117.35 122.96 1wry s TYR 82 Ca 0.66 0.30 -0.08 0.00 0.64 0.00 0.00 57.07 58.58 1wry s TYR 82 Cb -0.21 -1.91 -0.06 0.00 0.42 0.00 0.00 41.96 40.20 1wry s TYR 82 CO 0.59 0.50 -0.20 0.54 0.64 0.00 0.00 175.55 177.62 1wry n ARG 83 N 2.38 0.33 -3.54 4.97 5.12 -1.19 -4.85 116.66 119.88 1wry n ARG 83 Ca -0.19 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1wry n ARG 83 Cb 0.54 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 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 2.07 -1.39 1.67 -0.13 0.00 -1.25 -5.04 105.19 101.12 1wry n GLY 84 Ca -0.27 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 1wry n GLY 84 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wry n ASP 85 N 1.63 2.06 -0.30 1.61 5.75 -1.26 -1.59 116.55 124.45 1wry n ASP 85 Ca 0.00 -1.89 0.26 0.00 -0.01 0.00 0.00 54.79 53.15 1wry n ASP 85 Cb 0.00 0.04 0.58 0.00 -1.03 0.00 0.00 41.12 40.72 1wry n ASP 85 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1wry h TYR 86 N 0.75 0.44 0.68 2.11 5.03 -1.91 0.51 116.97 124.58 1wry h TYR 86 Ca -0.17 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.13 1wry h TYR 86 Cb 0.57 -0.13 0.01 0.00 1.55 0.00 0.00 36.73 38.72 1wry h TYR 86 CO 0.00 0.05 -0.33 -0.44 -1.32 0.00 0.00 178.16 176.12 1wry h ASP 87 N 0.27 -0.78 -0.15 -2.11 5.19 -1.94 0.22 116.42 117.12 1wry h ASP 87 Ca 0.56 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.96 1wry h ASP 87 Cb 1.67 0.20 -0.01 0.00 0.18 0.00 0.00 39.33 41.37 1wry h ASP 87 CO -0.20 -0.48 0.07 0.00 -3.12 0.00 0.00 179.24 175.52 1wry h ALA 88 N -0.81 1.77 -0.34 3.45 0.00 -1.39 -0.35 119.26 121.59 1wry h ALA 88 Ca -0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1wry h ALA 88 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wry h ALA 88 CO 0.15 0.18 0.06 0.35 0.00 0.00 0.00 179.25 179.99 1wry h PHE 89 N 0.26 0.60 0.03 0.00 3.57 0.29 -0.98 116.94 120.71 1wry h PHE 89 Ca 0.07 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1wry h PHE 89 Cb 0.06 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1wry h PHE 89 CO 0.00 0.63 -0.02 0.35 -2.23 0.00 0.00 178.31 177.04 1wry h PHE 90 N 0.39 -0.04 -0.03 0.41 3.04 0.19 -2.26 116.94 118.64 1wry h PHE 90 Ca 0.10 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.09 1wry h PHE 90 Cb 0.35 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.82 1wry h PHE 90 CO 0.02 0.32 -0.32 1.49 -2.02 0.00 0.00 178.31 177.80 1wry h GLU 91 N -0.41 -0.43 -0.24 1.11 4.81 -1.09 0.40 114.58 118.73 1wry h GLU 91 Ca -0.00 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1wry h GLU 91 Cb 0.38 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1wry h GLU 91 CO 0.01 -0.29 0.27 0.00 -0.73 0.00 0.00 179.01 178.27 1wry h ALA 92 N 0.30 1.87 0.04 2.92 0.00 -1.21 0.18 119.26 123.37 1wry h ALA 92 Ca 0.07 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 1wry h ALA 92 Cb 0.55 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wry h ALA 92 CO -0.28 -0.39 -0.94 -0.09 0.00 0.00 0.00 179.25 177.54 1wry h ARG 93 N 0.00 0.56 -0.32 0.00 2.43 0.23 0.78 114.38 118.06 1wry h ARG 93 Ca 0.11 -0.66 -0.08 0.00 -0.81 0.00 0.00 59.98 58.53 1wry h ARG 93 Cb 0.65 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1wry h ARG 93 CO -0.00 1.27 -0.16 0.93 -1.51 0.00 0.00 179.97 180.50 1wry h GLU 94 N 0.15 0.57 -0.23 0.20 5.08 0.22 -1.13 114.58 119.43 1wry h GLU 94 Ca -0.13 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1wry h GLU 94 Cb 1.63 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1wry h GLU 94 CO 0.18 0.71 0.00 0.09 -1.00 0.00 0.00 179.01 178.99 1wry n ASN 95 N -4.17 1.25 -3.89 1.42 3.02 0.05 -4.91 115.26 108.04 1wry n ASN 95 Ca 0.00 -1.99 -0.39 0.00 -0.03 0.00 0.00 54.58 52.17 1wry n ASN 95 Cb 0.36 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.41 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 0.18 -4.58 -0.97 6.41 4.13 -0.43 -4.85 115.26 115.14 1wry n ASN 96 Ca 0.08 -1.16 -0.02 0.00 1.68 0.00 0.00 54.58 55.16 1wry n ASN 96 Cb 0.20 -2.52 -0.02 0.00 -1.54 0.00 0.00 39.78 35.89 1wry n ASN 96 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wry n ALA 97 N -4.62 2.81 0.17 5.41 0.00 0.26 -3.86 120.51 120.68 1wry n ALA 97 Ca -0.11 -1.04 -0.15 0.00 0.00 0.00 0.00 53.44 52.15 1wry n ALA 97 Cb 0.58 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 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 5.79 0.20 -0.97 0.00 2.07 -1.46 -0.97 116.25 120.91 1wry h VAL 98 Ca -0.29 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.55 1wry h VAL 98 Cb 1.46 0.20 -0.17 0.00 -1.52 0.00 0.00 31.29 31.26 1wry h VAL 98 CO -0.09 0.00 0.36 1.88 0.02 0.00 0.00 177.57 179.73 1wry h TYR 99 N -0.71 0.53 -0.58 1.57 0.05 -1.89 1.52 116.97 117.46 1wry h TYR 99 Ca -0.00 0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 1wry h TYR 99 Cb 0.68 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 1wry h TYR 99 CO -0.29 -0.35 0.07 0.00 -1.05 0.00 0.00 178.16 176.55 1wry h ALA 100 N 1.92 0.77 0.00 3.88 0.00 -1.45 1.08 119.26 125.46 1wry h ALA 100 Ca 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1wry h ALA 100 Cb 1.63 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1wry h ALA 100 CO -0.75 0.54 0.00 0.34 0.00 0.00 0.00 179.25 179.39 1wry n PHE 101 N -4.30 0.00 0.21 0.00 7.35 0.50 -1.38 117.46 119.84 1wry n PHE 101 Ca 0.03 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.74 1wry n PHE 101 Cb 0.29 -0.43 0.03 0.00 0.35 0.00 0.00 39.48 39.71 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 -1.43 1.51 -1.41 -2.13 4.77 0.19 -4.79 117.00 113.70 1wry n LEU 102 Ca 0.05 -1.05 -0.15 0.00 -0.03 0.00 0.00 56.01 54.83 1wry n LEU 102 Cb 0.15 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1wry n LEU 102 CO 0.13 0.32 -0.17 0.61 -1.33 0.00 0.00 177.39 176.95 1wry n GLY 103 N 0.29 0.67 3.10 -0.72 0.00 0.63 -4.92 105.19 104.25 1wry n GLY 103 Ca 0.03 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.91 0.00 -4.69 0.99 4.77 0.34 -4.97 117.00 111.53 1wry n LEU 104 Ca -0.16 -1.93 -0.30 0.00 -0.03 0.00 0.00 56.01 53.59 1wry n LEU 104 Cb 0.56 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1wry n LEU 104 CO 0.22 -0.71 -0.33 -0.89 -1.33 0.00 0.00 177.39 174.34 1wry s THR 105 N -1.97 4.04 0.05 -5.08 2.01 -1.26 -4.30 115.64 109.11 1wry s THR 105 Ca 0.49 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1wry s THR 105 Cb -0.04 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1wry s THR 105 CO 0.32 0.11 -0.02 0.00 -0.69 0.00 0.00 174.62 174.33 1wry s ALA 106 N -1.33 3.21 0.50 7.40 0.00 -1.26 -4.95 121.76 125.33 1wry s ALA 106 Ca 0.26 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.97 1wry s ALA 106 Cb -0.12 -1.20 -0.08 0.00 0.00 0.00 0.00 23.12 21.73 1wry s ALA 106 CO 0.19 0.66 1.04 -1.25 0.00 0.00 0.00 175.76 176.40 1wry s PRO 107 N -1.91 3.72 -0.53 0.00 0.04 -1.26 -4.91 135.00 130.16 1wry s PRO 107 Ca 0.22 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 1wry s PRO 107 Cb -0.11 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1wry s PRO 107 CO 0.13 -0.49 1.48 -1.25 0.04 0.00 0.00 177.00 176.92 1wry s PRO 108 N -3.40 3.28 0.00 0.56 0.04 -1.26 -2.41 135.00 131.80 1wry s PRO 108 Ca 0.66 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1wry s PRO 108 Cb -0.16 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1wry s PRO 108 CO 0.23 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1wry n GLY 109 N 5.29 1.37 3.74 0.56 0.00 -1.26 -5.11 105.19 109.77 1wry n GLY 109 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1wry n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wry s SER 110 N -1.13 2.35 0.25 1.61 1.04 -1.01 -4.77 113.70 112.04 1wry s SER 110 Ca 0.00 0.70 0.04 0.00 0.48 0.00 0.00 55.95 57.17 1wry s SER 110 Cb 0.00 -1.04 0.32 0.00 0.10 0.00 0.00 66.02 65.39 1wry s SER 110 CO 0.00 -3.25 1.62 0.50 0.98 0.00 0.00 173.24 173.09 1wry h LYS 111 N -1.98 0.31 -0.80 4.02 1.63 -1.92 0.22 116.57 118.05 1wry h LYS 111 Ca -0.47 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.12 1wry h LYS 111 Cb 1.30 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.90 1wry h LYS 111 CO 0.46 0.74 0.37 0.93 -3.45 0.00 0.00 179.45 178.50 1wry h GLU 112 N 0.25 1.16 0.17 1.90 3.07 -1.90 1.42 114.58 120.65 1wry h GLU 112 Ca 0.01 -0.18 -0.29 0.00 -0.50 0.00 0.00 59.36 58.40 1wry h GLU 112 Cb 0.96 -0.20 0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1wry h GLU 112 CO 0.08 0.91 -1.31 0.00 -1.40 0.00 0.00 179.01 177.29 1wry h ALA 113 N 1.20 0.01 0.36 3.43 0.00 -1.72 -3.36 119.26 119.18 1wry h ALA 113 Ca 0.27 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1wry h ALA 113 Cb 0.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wry h ALA 113 CO -0.03 0.86 -0.17 0.93 0.00 0.00 0.00 179.25 180.83 1wry h GLU 114 N 0.12 -0.47 0.00 0.00 5.08 -0.25 -3.45 114.58 115.61 1wry h GLU 114 Ca -0.18 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1wry h GLU 114 Cb 2.02 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.38 1wry h GLU 114 CO 0.23 -0.31 0.00 0.28 -1.00 0.00 0.00 179.01 178.21 1wry n VAL 115 N -4.23 0.00 -1.74 3.13 0.31 0.48 -4.51 118.33 111.77 1wry n VAL 115 Ca -0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.08 1wry n VAL 115 Cb 0.19 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.03 1wry n VAL 115 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1wry s SER 116 N -4.00 3.95 0.00 4.52 1.04 -1.26 -4.71 113.70 113.24 1wry s SER 116 Ca 0.00 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1wry s SER 116 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1wry s SER 116 CO 0.00 -4.16 0.00 0.61 0.98 0.00 0.00 173.24 170.67 1wry n GLY 117 N 6.17 1.49 2.84 7.32 0.00 -1.26 -4.93 105.19 116.82 1wry n GLY 117 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1wry n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wry n PRO 118 N 0.00 2.27 -3.60 1.61 -0.04 -1.26 -4.79 135.00 129.19 1wry n PRO 118 Ca 0.00 -2.12 -0.16 0.00 -0.04 0.00 0.00 63.50 61.18 1wry n PRO 118 Cb 0.00 -3.00 -0.07 0.00 -0.04 0.00 0.00 33.50 30.40 1wry n PRO 118 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wry s SER 119 N 3.90 -0.52 -0.19 3.54 1.04 -1.26 -5.13 113.70 115.08 1wry s SER 119 Ca 0.52 0.57 -0.29 0.00 0.48 0.00 0.00 55.95 57.23 1wry s SER 119 Cb 0.14 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 1wry s SER 119 CO 0.01 -0.54 1.38 -0.55 0.98 0.00 0.00 173.24 174.52 1wry s SER 120 N -1.14 6.76 0.00 7.02 0.15 -1.26 -5.06 113.70 120.17 1wry s SER 120 Ca -0.11 1.66 0.25 0.00 0.70 0.00 0.00 55.95 58.44 1wry s SER 120 Cb -0.02 -2.54 0.32 0.00 -1.71 0.00 0.00 66.02 62.08 1wry s SER 120 CO 0.08 -0.93 1.33 0.61 1.20 0.00 0.00 173.24 175.53