#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 6.65 0.01 1.61 0.01 -1.26 -4.93 113.70 115.79 1wry s SER 2 Ca 0.00 -2.17 -0.29 0.00 1.31 0.00 0.00 55.95 54.80 1wry s SER 2 Cb 0.00 -2.35 0.10 0.00 0.21 0.00 0.00 66.02 63.97 1wry s SER 2 CO 0.00 -0.96 1.00 -0.44 0.41 0.00 0.00 173.24 173.26 1wry s SER 3 N 3.30 -0.24 -0.19 2.44 0.01 -1.26 -5.17 113.70 112.59 1wry s SER 3 Ca 0.29 -0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.35 1wry s SER 3 Cb -0.06 0.35 0.08 0.00 0.21 0.00 0.00 66.02 66.60 1wry s SER 3 CO -0.09 -0.61 0.42 -0.83 0.41 0.00 0.00 173.24 172.54 1wry s GLY 4 N -2.62 -0.35 0.01 3.44 0.00 -1.26 -5.15 107.32 101.38 1wry s GLY 4 Ca 0.09 1.50 0.04 0.00 0.00 0.00 0.00 44.72 46.35 1wry s GLY 4 CO -0.05 2.26 -0.12 -0.56 0.00 0.00 0.00 173.10 174.63 1wry s SER 5 N 2.37 1.45 -0.01 1.64 0.01 -1.26 -5.14 113.70 112.75 1wry s SER 5 Ca -0.03 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.95 1wry s SER 5 Cb -0.11 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1wry s SER 5 CO -0.13 0.11 -0.02 -0.55 0.41 0.00 0.00 173.24 173.06 1wry s SER 6 N -0.55 0.31 0.00 2.44 0.15 -1.26 -5.14 113.70 109.65 1wry s SER 6 Ca 0.03 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1wry s SER 6 Cb -0.06 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1wry s SER 6 CO 0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1wry n GLY 7 N 3.19 4.39 2.92 9.45 0.00 -1.26 -5.14 105.19 118.73 1wry n GLY 7 Ca -0.15 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 1.49 0.75 0.16 1.61 0.00 -1.26 -5.13 119.30 116.92 1wry s MET 8 Ca 0.00 -0.52 -0.24 0.00 0.00 0.00 0.00 55.69 54.93 1wry s MET 8 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 34.83 34.77 1wry s MET 8 CO 0.00 -1.00 0.74 0.08 0.00 0.00 0.00 175.02 174.84 1wry s VAL 9 N 1.40 4.44 -0.43 5.16 1.01 -1.26 -4.97 120.40 125.75 1wry s VAL 9 Ca 0.22 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 63.68 1wry s VAL 9 Cb 0.01 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.39 1wry s VAL 9 CO -0.08 0.50 0.29 -0.63 0.00 0.00 0.00 175.10 175.18 1wry s ILE 10 N -1.18 4.45 -0.20 2.22 -1.09 -1.16 -0.76 121.20 123.48 1wry s ILE 10 Ca 0.35 -1.32 -0.09 0.00 -2.23 0.00 0.00 60.65 57.36 1wry s ILE 10 Cb -0.22 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 1wry s ILE 10 CO 0.25 -0.52 0.11 -0.13 -1.23 0.00 0.00 174.94 173.41 1wry s ARG 11 N 1.47 4.11 -0.09 2.79 0.52 0.38 0.20 118.95 128.34 1wry s ARG 11 Ca 0.03 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 1wry s ARG 11 Cb -0.23 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 1wry s ARG 11 CO 0.03 0.28 -0.18 0.08 0.02 0.00 0.00 175.30 175.53 1wry s VAL 12 N 0.40 2.68 -0.55 3.52 1.01 -0.04 0.17 120.40 127.60 1wry s VAL 12 Ca 0.06 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 1wry s VAL 12 Cb -0.12 -2.07 0.14 0.00 0.00 0.00 0.00 36.38 34.33 1wry s VAL 12 CO -0.01 0.55 0.46 -0.31 0.00 0.00 0.00 175.10 175.80 1wry s TYR 13 N 0.00 3.38 0.42 5.22 1.51 0.84 0.89 117.35 129.60 1wry s TYR 13 Ca -0.06 -1.65 0.08 0.00 -1.01 0.00 0.00 57.07 54.43 1wry s TYR 13 Cb -0.15 -3.66 -0.01 0.00 -0.11 0.00 0.00 41.96 38.03 1wry s TYR 13 CO 0.05 -1.00 0.43 0.96 -1.11 0.00 0.00 175.55 174.87 1wry s ILE 14 N 1.30 2.75 -0.68 2.71 -4.36 0.46 -2.99 121.20 120.40 1wry s ILE 14 Ca 0.06 -1.26 0.04 0.00 -0.26 0.00 0.00 60.65 59.24 1wry s ILE 14 Cb -0.26 -3.00 0.30 0.00 1.25 0.00 0.00 42.46 40.74 1wry s ILE 14 CO 0.00 -0.00 0.96 0.00 0.24 0.00 0.00 174.94 176.14 1wry n ALA 15 N -1.62 4.54 -1.51 2.27 0.00 -1.26 0.21 120.51 123.14 1wry n ALA 15 Ca 0.05 -4.74 -0.59 0.00 0.00 0.00 0.00 53.44 48.15 1wry n ALA 15 Cb 0.61 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 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 0.38 0.65 -0.67 0.00 2.88 -1.26 -1.72 113.62 113.88 1wry n SER 16 Ca 0.31 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1wry n SER 16 Cb 0.39 -0.82 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 2.72 -1.64 -4.68 -3.46 2.88 -1.26 -4.58 113.62 103.60 1wry n SER 17 Ca 0.24 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.38 1wry n SER 17 Cb -0.00 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 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 6.92 0.24 -3.46 0.15 -0.70 -4.95 113.70 109.19 1wry s SER 18 Ca 0.00 1.12 -0.10 0.00 0.70 0.00 0.00 55.95 57.67 1wry s SER 18 Cb 0.00 -2.42 0.36 0.00 -1.71 0.00 0.00 66.02 62.24 1wry s SER 18 CO 0.00 -0.29 1.62 1.23 1.20 0.00 0.00 173.24 177.00 1wry h GLY 19 N 7.83 0.66 -4.73 9.45 0.00 -1.96 -3.38 103.07 110.94 1wry h GLY 19 Ca -0.33 0.18 -0.54 0.00 0.00 0.00 0.00 47.33 46.64 1wry h GLY 19 CO 0.80 -0.28 0.77 -0.56 0.00 0.00 0.00 176.54 177.26 1wry s SER 20 N -5.21 6.88 0.16 0.19 0.01 -1.26 -4.91 113.70 109.55 1wry s SER 20 Ca -0.14 2.14 -0.10 0.00 1.31 0.00 0.00 55.95 59.16 1wry s SER 20 Cb 0.22 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.89 1wry s SER 20 CO 0.75 -0.67 1.56 0.74 0.41 0.00 0.00 173.24 176.03 1wry h THR 21 N 4.71 1.27 -0.47 1.44 2.02 -2.00 -2.99 112.91 116.88 1wry h THR 21 Ca -0.39 -1.33 0.07 0.00 0.77 0.00 0.00 66.41 65.53 1wry h THR 21 Cb 1.19 1.09 -0.09 0.00 -1.74 0.00 0.00 68.15 68.59 1wry h THR 21 CO 0.88 0.46 -0.45 0.00 0.37 0.00 0.00 175.52 176.78 1wry h ALA 22 N 0.88 -0.46 0.14 6.16 0.00 -1.93 0.34 119.26 124.40 1wry h ALA 22 Ca 0.12 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1wry h ALA 22 Cb 0.74 0.96 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1wry h ALA 22 CO 0.06 -0.88 -0.53 0.82 0.00 0.00 0.00 179.25 178.72 1wry h ILE 23 N -0.30 0.01 -0.93 0.00 2.04 -1.89 1.11 117.51 117.54 1wry h ILE 23 Ca 0.14 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.27 1wry h ILE 23 Cb 0.58 0.01 -0.16 0.00 -0.74 0.00 0.00 36.82 36.51 1wry h ILE 23 CO -0.62 0.00 0.22 0.11 0.00 0.00 0.00 178.15 177.86 1wry h LYS 24 N -0.77 0.12 0.47 2.37 1.57 -1.10 0.66 116.57 119.89 1wry h LYS 24 Ca -0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1wry h LYS 24 Cb 0.77 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1wry h LYS 24 CO -0.28 0.08 -0.22 0.87 -0.57 0.00 0.00 179.45 179.33 1wry h LYS 25 N 0.12 -0.60 -0.93 3.15 1.57 0.15 -1.84 116.57 118.20 1wry h LYS 25 Ca 0.61 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.52 1wry h LYS 25 Cb 1.31 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 33.63 1wry h LYS 25 CO -0.75 -0.40 -0.55 0.87 -0.57 0.00 0.00 179.45 178.04 1wry h LYS 26 N -0.93 -0.04 -0.69 3.15 1.57 0.29 1.12 116.57 121.03 1wry h LYS 26 Ca -0.06 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.87 1wry h LYS 26 Cb 0.48 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.69 1wry h LYS 26 CO 0.11 -0.03 0.09 1.96 -0.57 0.00 0.00 179.45 181.00 1wry h GLN 27 N -0.05 0.18 -0.00 3.15 4.20 0.17 0.68 115.11 123.45 1wry h GLN 27 Ca 0.18 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1wry h GLN 27 Cb 0.46 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1wry h GLN 27 CO -0.91 0.12 -0.26 1.96 -0.67 0.00 0.00 178.83 179.08 1wry h GLN 28 N 0.19 0.00 -0.03 1.46 4.20 0.13 0.93 115.11 122.00 1wry h GLN 28 Ca 0.38 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.99 1wry h GLN 28 Cb 0.64 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1wry h GLN 28 CO -0.53 0.26 -0.43 0.22 -0.67 0.00 0.00 178.83 177.68 1wry h ASP 29 N 0.00 0.07 0.36 1.46 1.82 0.68 0.86 116.42 121.68 1wry h ASP 29 Ca -0.00 -0.03 -0.32 0.00 -0.39 0.00 0.00 57.03 56.29 1wry h ASP 29 Cb 0.46 -0.02 0.02 0.00 0.68 0.00 0.00 39.33 40.47 1wry h ASP 29 CO 0.03 0.50 -1.49 0.58 -1.61 0.00 0.00 179.24 177.25 1wry h VAL 30 N 0.06 1.24 0.29 2.25 2.07 0.09 -3.03 116.25 119.22 1wry h VAL 30 Ca 0.00 -2.76 -0.01 0.00 0.82 0.00 0.00 66.70 64.75 1wry h VAL 30 Cb 0.79 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1wry h VAL 30 CO 0.06 0.84 -0.14 -0.07 0.02 0.00 0.00 177.57 178.28 1wry h LEU 31 N 0.11 -0.33 -0.89 2.57 3.38 -0.64 -2.51 115.31 117.01 1wry h LEU 31 Ca -0.25 -0.18 0.24 0.00 0.09 0.00 0.00 57.88 57.78 1wry h LEU 31 Cb 2.09 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 42.79 1wry h LEU 31 CO 0.23 0.15 0.29 1.23 0.09 0.00 0.00 178.44 180.43 1wry h GLY 32 N -0.96 1.44 0.96 0.83 0.00 0.60 0.41 103.07 106.35 1wry h GLY 32 Ca -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1wry h GLY 32 CO 0.06 -0.35 -0.30 -2.75 0.00 0.00 0.00 176.54 173.20 1wry h PHE 33 N 0.26 -0.79 -0.02 5.60 3.04 -1.56 0.73 116.94 124.21 1wry h PHE 33 Ca 0.56 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.50 1wry h PHE 33 Cb 1.13 0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.90 1wry h PHE 33 CO -0.22 -0.47 0.06 -0.07 -2.02 0.00 0.00 178.31 175.60 1wry h LEU 34 N -0.90 0.00 0.18 0.59 3.38 -0.66 0.56 115.31 118.45 1wry h LEU 34 Ca -0.09 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.58 1wry h LEU 34 Cb 0.67 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.43 1wry h LEU 34 CO 0.14 0.00 -1.43 -0.33 0.09 0.00 0.00 178.44 176.91 1wry h GLU 35 N 0.00 0.37 0.00 1.13 5.08 0.62 0.77 114.58 122.55 1wry h GLU 35 Ca 0.01 -0.64 -0.09 0.00 -1.00 0.00 0.00 59.36 57.64 1wry h GLU 35 Cb 0.14 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1wry h GLU 35 CO -0.00 1.30 -0.43 0.00 -1.00 0.00 0.00 179.01 178.88 1wry h ALA 36 N 0.07 0.98 -0.42 3.43 0.00 0.21 -2.09 119.26 121.45 1wry h ALA 36 Ca -0.28 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1wry h ALA 36 Cb 1.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1wry h ALA 36 CO 0.16 0.54 0.00 0.09 0.00 0.00 0.00 179.25 180.04 1wry n ASN 37 N -3.58 2.34 -4.17 0.00 3.02 0.18 -4.92 115.26 108.14 1wry n ASN 37 Ca -0.00 -1.97 -0.29 0.00 -0.03 0.00 0.00 54.58 52.29 1wry n ASN 37 Cb 0.54 -0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.78 -1.85 -3.51 3.52 4.76 -0.78 -4.90 118.16 116.16 1wry n LYS 38 Ca 0.15 0.21 -0.35 0.00 -2.87 0.00 0.00 58.31 55.46 1wry n LYS 38 Cb 0.38 -3.94 -0.05 0.00 -1.84 0.00 0.00 35.03 29.57 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 -4.21 5.03 -1.27 -0.18 1.01 0.26 -5.00 121.20 116.84 1wry s ILE 39 Ca 0.01 0.55 -0.14 0.00 0.00 0.00 0.00 60.65 61.06 1wry s ILE 39 Cb -0.00 -3.67 0.13 0.00 0.01 0.00 0.00 42.46 38.93 1wry s ILE 39 CO 0.96 0.26 1.67 0.61 0.00 0.00 0.00 174.94 178.44 1wry n GLY 40 N 0.84 3.49 3.92 6.18 0.00 -1.26 -4.74 105.19 113.62 1wry n GLY 40 Ca -0.07 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 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 2.26 1.89 0.08 1.61 -0.71 -1.26 -2.99 117.98 118.86 1wry s PHE 41 Ca 0.46 -0.72 0.06 0.00 -1.04 0.00 0.00 56.93 55.68 1wry s PHE 41 Cb 0.03 -2.04 -0.03 0.00 -1.21 0.00 0.00 43.02 39.77 1wry s PHE 41 CO 0.02 -0.50 -0.15 -1.21 -1.34 0.00 0.00 175.22 172.03 1wry s GLU 42 N -4.31 0.87 -0.30 1.99 0.41 0.54 -4.86 118.70 113.03 1wry s GLU 42 Ca 0.43 -0.99 -0.08 0.00 -0.41 0.00 0.00 54.97 53.92 1wry s GLU 42 Cb -0.03 -0.92 0.00 0.00 -1.78 0.00 0.00 34.13 31.41 1wry s GLU 42 CO 0.26 0.21 0.11 -1.21 -0.49 0.00 0.00 175.26 174.14 1wry s GLU 43 N -1.76 3.17 -0.25 1.61 2.02 -1.26 -0.86 118.70 121.37 1wry s GLU 43 Ca -0.01 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.15 1wry s GLU 43 Cb -0.10 -3.46 0.02 0.00 0.10 0.00 0.00 34.13 30.69 1wry s GLU 43 CO 0.03 -0.44 -0.05 0.15 0.02 0.00 0.00 175.26 174.96 1wry s LYS 44 N 1.55 2.87 -0.01 1.61 -0.14 0.26 -4.96 119.74 120.91 1wry s LYS 44 Ca 0.03 -0.96 -0.23 0.00 -1.36 0.00 0.00 55.97 53.46 1wry s LYS 44 Cb -0.17 -3.00 -0.05 0.00 -1.68 0.00 0.00 37.83 32.93 1wry s LYS 44 CO 0.04 -0.39 0.67 0.34 -0.76 0.00 0.00 175.35 175.25 1wry s ASP 45 N 1.34 7.04 -0.01 2.83 2.15 -1.25 0.17 116.67 128.95 1wry s ASP 45 Ca 0.01 1.25 0.13 0.00 0.43 0.00 0.00 52.55 54.36 1wry s ASP 45 Cb -0.17 -2.41 -0.17 0.00 -0.30 0.00 0.00 42.92 39.88 1wry s ASP 45 CO -0.04 0.02 0.44 2.30 -0.17 0.00 0.00 175.17 177.72 1wry n ILE 46 N 3.05 0.00 -0.15 4.11 -5.35 0.57 -3.66 119.36 117.93 1wry n ILE 46 Ca -0.04 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.11 1wry n ILE 46 Cb 0.51 0.65 -0.00 0.00 -1.74 0.00 0.00 39.64 39.06 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 1.58 0.58 -0.74 -1.28 0.00 -1.81 -3.39 119.26 114.21 1wry h ALA 47 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wry h ALA 47 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wry h ALA 47 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1wry n ALA 48 N -2.34 0.00 -1.68 0.00 0.00 -1.26 -4.89 120.51 110.34 1wry n ALA 48 Ca 0.01 -0.13 -0.46 0.00 0.00 0.00 0.00 53.44 52.86 1wry n ALA 48 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 1wry n ALA 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wry n ASN 49 N -2.06 3.55 -0.07 0.00 4.05 -1.24 -4.89 115.26 114.60 1wry n ASN 49 Ca 0.00 0.99 -0.08 0.00 0.45 0.00 0.00 54.58 55.94 1wry n ASN 49 Cb 0.00 -1.43 -0.04 0.00 1.23 0.00 0.00 39.78 39.54 1wry n ASN 49 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1wry h GLU 50 N 8.58 0.00 -0.94 1.20 4.81 -1.87 -3.31 114.58 123.05 1wry h GLU 50 Ca -0.48 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.00 1wry h GLU 50 Cb 1.26 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.46 1wry h GLU 50 CO 0.93 0.31 -0.05 -0.85 -0.73 0.00 0.00 179.01 178.63 1wry n GLU 51 N -4.61 -0.08 0.25 1.92 0.28 -1.26 0.63 120.64 117.77 1wry n GLU 51 Ca -0.11 1.43 -0.18 0.00 -0.16 0.00 0.00 57.16 58.14 1wry n GLU 51 Cb 0.32 -2.24 -0.10 0.00 1.43 0.00 0.00 31.44 30.86 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 -1.43 0.36 -1.84 4.21 -1.90 1.00 115.58 115.98 1wry h ASN 52 Ca 0.54 0.12 -0.00 0.00 1.21 0.00 0.00 56.30 58.17 1wry h ASN 52 Cb 1.06 0.49 -0.03 0.00 -1.12 0.00 0.00 38.32 38.72 1wry h ASN 52 CO -0.91 -0.64 -0.40 -0.09 -1.29 0.00 0.00 177.43 174.10 1wry h ARG 53 N -0.95 -0.76 -0.00 0.81 2.43 -0.20 0.74 114.38 116.46 1wry h ARG 53 Ca -0.05 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1wry h ARG 53 Cb 0.84 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1wry h ARG 53 CO -0.12 -0.51 -0.09 -0.22 -1.51 0.00 0.00 179.97 177.53 1wry h LYS 54 N -0.79 -0.11 -0.71 0.20 3.64 0.36 0.83 116.57 120.00 1wry h LYS 54 Ca -0.03 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1wry h LYS 54 Cb 0.72 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.44 1wry h LYS 54 CO -0.09 -0.07 -0.41 2.35 -2.27 0.00 0.00 179.45 178.97 1wry h TRP 55 N -0.11 -1.18 -0.74 1.91 7.01 0.11 0.64 115.95 123.59 1wry h TRP 55 Ca 0.00 0.09 0.17 0.00 2.11 0.00 0.00 58.89 61.26 1wry h TRP 55 Cb 0.12 0.62 -0.12 0.00 -2.10 0.00 0.00 29.16 27.68 1wry h TRP 55 CO -0.39 -0.40 0.12 1.98 -2.79 0.00 0.00 178.44 176.96 1wry h MET 56 N -0.14 0.19 -0.75 2.65 4.05 0.12 0.32 114.93 121.37 1wry h MET 56 Ca 0.23 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1wry h MET 56 Cb 0.56 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 1wry h MET 56 CO -0.77 0.13 0.48 0.00 0.23 0.00 0.00 176.91 176.97 1wry h ARG 57 N 0.20 1.01 0.00 0.39 3.08 0.62 0.90 114.38 120.58 1wry h ARG 57 Ca 0.42 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1wry h ARG 57 Cb 0.74 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1wry h ARG 57 CO -0.57 0.69 0.00 0.93 -1.07 0.00 0.00 179.97 179.95 1wry h GLU 58 N 1.02 0.00 0.00 0.04 5.08 0.23 -3.15 114.58 117.80 1wry h GLU 58 Ca 0.27 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.46 1wry h GLU 58 Cb -0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1wry h GLU 58 CO -0.06 0.00 -1.12 0.09 -1.00 0.00 0.00 179.01 176.92 1wry n ASN 59 N -2.62 1.85 -4.52 1.42 5.03 0.77 -4.92 115.26 112.28 1wry n ASN 59 Ca 0.01 0.48 -0.59 0.00 0.87 0.00 0.00 54.58 55.35 1wry n ASN 59 Cb 0.26 -0.93 -0.08 0.00 -1.02 0.00 0.00 39.78 38.02 1wry n ASN 59 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1wry n VAL 60 N -4.47 0.00 -2.55 2.41 0.31 0.29 -4.87 118.33 109.46 1wry n VAL 60 Ca -0.26 -0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.73 1wry n VAL 60 Cb 0.57 -0.07 -0.04 0.00 -0.91 0.00 0.00 33.84 33.39 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 0.14 3.86 0.61 5.55 0.04 -1.26 -4.86 135.00 139.08 1wry s PRO 61 Ca 0.91 1.38 0.39 0.00 0.04 0.00 0.00 61.00 63.73 1wry s PRO 61 Cb -1.26 -2.16 1.94 0.00 0.04 0.00 0.00 34.50 33.06 1wry s PRO 61 CO 0.57 -0.39 2.20 1.05 0.04 0.00 0.00 177.00 180.48 1wry h GLU 62 N 1.70 0.00 -0.00 4.56 4.11 -1.94 0.27 114.58 123.28 1wry h GLU 62 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1wry h GLU 62 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wry h GLU 62 CO 0.59 0.01 -0.08 0.09 0.07 0.00 0.00 179.01 179.70 1wry n ASN 63 N -3.12 0.08 -0.02 3.06 3.02 -1.26 -3.35 115.26 113.67 1wry n ASN 63 Ca -0.01 0.35 0.01 0.00 -0.03 0.00 0.00 54.58 54.90 1wry n ASN 63 Cb 0.18 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 1wry n ASN 63 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wry n SER 64 N -1.48 2.84 -4.55 6.41 7.64 0.52 -5.03 113.62 119.97 1wry n SER 64 Ca 0.07 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 1wry n SER 64 Cb 0.33 1.15 0.13 0.00 -1.01 0.00 0.00 64.21 64.82 1wry n SER 64 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wry n ARG 65 N -2.02 -0.21 -1.53 1.43 1.74 0.66 -4.97 116.66 111.75 1wry n ARG 65 Ca -0.07 -0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.72 1wry n ARG 65 Cb 0.46 -2.12 0.14 0.00 -1.02 0.00 0.00 32.46 29.92 1wry n ARG 65 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wry s PRO 66 N -3.95 0.96 0.59 5.56 0.04 -1.26 -4.86 135.00 132.08 1wry s PRO 66 Ca 0.64 0.22 0.30 0.00 0.04 0.00 0.00 61.00 62.20 1wry s PRO 66 Cb -0.24 -1.82 1.28 0.00 0.04 0.00 0.00 34.50 33.75 1wry s PRO 66 CO 0.61 -2.30 1.62 0.00 0.04 0.00 0.00 177.00 176.96 1wry h ALA 67 N -1.57 2.72 -1.23 8.56 0.00 -1.96 -3.41 119.26 122.37 1wry h ALA 67 Ca -0.50 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 54.56 1wry h ALA 67 Cb 1.32 0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.91 1wry h ALA 67 CO 0.59 -1.35 0.80 -0.08 0.00 0.00 0.00 179.25 179.20 1wry s THR 68 N -4.59 0.00 0.00 0.00 -1.32 -1.26 -5.16 115.64 103.31 1wry s THR 68 Ca -0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1wry s THR 68 Cb 0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 1wry s THR 68 CO 0.57 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.59 1wry n GLY 69 N 0.91 -1.80 3.88 6.08 0.00 -1.26 -4.96 105.19 108.04 1wry n GLY 69 Ca -0.06 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 3.45 -0.28 1.61 2.02 -1.26 -4.48 117.35 118.41 1wry s TYR 70 Ca 0.00 1.08 -0.29 0.00 -0.37 0.00 0.00 57.07 57.49 1wry s TYR 70 Cb 0.00 -2.86 -0.00 0.00 -0.40 0.00 0.00 41.96 38.70 1wry s TYR 70 CO 0.00 -0.90 1.34 -1.25 -1.57 0.00 0.00 175.55 173.17 1wry s PRO 71 N -5.21 3.92 0.47 -1.71 0.04 -1.26 -4.58 135.00 126.66 1wry s PRO 71 Ca 0.56 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 1wry s PRO 71 Cb -0.11 -3.89 -0.09 0.00 0.04 0.00 0.00 34.50 30.45 1wry s PRO 71 CO 0.51 -1.12 1.04 -0.51 0.04 0.00 0.00 177.00 176.96 1wry s LEU 72 N 4.44 3.90 0.87 -3.56 1.43 -1.26 -5.01 118.68 119.49 1wry s LEU 72 Ca 0.58 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 1wry s LEU 72 Cb -0.18 -4.49 0.11 0.00 0.03 0.00 0.00 46.19 41.66 1wry s LEU 72 CO 0.23 -0.73 1.12 -2.16 0.23 0.00 0.00 176.35 175.05 1wry s PRO 73 N -3.09 1.50 0.92 1.29 0.04 -1.26 -4.64 135.00 129.77 1wry s PRO 73 Ca 0.66 0.42 -0.13 0.00 0.04 0.00 0.00 61.00 61.99 1wry s PRO 73 Cb -0.18 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.64 1wry s PRO 73 CO 0.21 -1.97 1.14 -1.25 0.04 0.00 0.00 177.00 175.17 1wry s PRO 74 N -5.24 1.03 -0.18 0.56 0.04 -1.26 -4.89 135.00 125.07 1wry s PRO 74 Ca 0.63 0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.87 1wry s PRO 74 Cb -0.15 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.64 1wry s PRO 74 CO 0.54 -2.26 0.17 -0.65 0.04 0.00 0.00 177.00 174.83 1wry s GLN 75 N -5.31 0.12 0.08 4.56 -1.52 -1.16 -3.92 119.66 112.51 1wry s GLN 75 Ca 0.64 0.15 -0.27 0.00 -1.95 0.00 0.00 55.36 53.94 1wry s GLN 75 Cb -0.14 -1.30 -0.06 0.00 -0.22 0.00 0.00 33.01 31.29 1wry s GLN 75 CO 0.53 -0.61 0.84 0.42 -0.25 0.00 0.00 175.29 176.22 1wry s ILE 76 N 2.26 4.61 -0.05 1.08 1.09 -0.60 -0.11 121.20 129.47 1wry s ILE 76 Ca 0.05 1.80 -0.02 0.00 -1.10 0.00 0.00 60.65 61.38 1wry s ILE 76 Cb -0.15 -4.19 0.04 0.00 -1.06 0.00 0.00 42.46 37.09 1wry s ILE 76 CO -0.10 0.36 0.09 -0.36 -0.10 0.00 0.00 174.94 174.84 1wry s PHE 77 N -0.15 -0.07 -0.75 3.97 0.08 0.45 -2.68 117.98 118.83 1wry s PHE 77 Ca 0.41 0.33 -0.23 0.00 0.12 0.00 0.00 56.93 57.56 1wry s PHE 77 Cb -0.22 -0.18 0.07 0.00 -0.57 0.00 0.00 43.02 42.13 1wry s PHE 77 CO 0.26 -0.14 1.08 1.21 -0.10 0.00 0.00 175.22 177.53 1wry s ASN 78 N 1.25 6.28 0.00 1.36 3.84 -0.01 0.14 114.94 127.80 1wry s ASN 78 Ca -0.08 -1.14 0.00 0.00 0.21 0.00 0.00 52.86 51.86 1wry s ASN 78 Cb -0.12 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1wry s ASN 78 CO -0.05 -1.44 0.00 -0.62 -2.79 0.00 0.00 177.10 172.20 1wry n GLU 79 N 7.86 0.00 0.00 0.43 1.02 0.06 -1.38 120.64 128.62 1wry n GLU 79 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 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 1.28 0.00 -4.48 1.62 3.41 -1.26 -4.85 113.62 109.34 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 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.32 0.01 4.33 -1.52 -0.48 -5.01 119.66 115.68 1wry s GLN 81 Ca 0.00 0.47 0.02 0.00 -1.95 0.00 0.00 55.36 53.90 1wry s GLN 81 Cb 0.00 -1.65 -0.04 0.00 -0.22 0.00 0.00 33.01 31.10 1wry s GLN 81 CO 0.00 -3.22 -0.01 -0.47 -0.25 0.00 0.00 175.29 171.33 1wry s TYR 82 N -2.83 3.02 -0.00 0.91 6.14 -1.26 -0.83 117.35 122.49 1wry s TYR 82 Ca 0.67 0.04 -0.06 0.00 0.64 0.00 0.00 57.07 58.36 1wry s TYR 82 Cb -0.19 -1.64 -0.02 0.00 0.42 0.00 0.00 41.96 40.53 1wry s TYR 82 CO 0.59 0.44 -0.12 0.54 0.64 0.00 0.00 175.55 177.65 1wry n ARG 83 N 1.32 0.18 0.00 4.97 5.12 -1.09 -4.81 116.66 122.35 1wry n ARG 83 Ca -0.14 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1wry n ARG 83 Cb 0.53 -0.82 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 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 2.77 -0.44 4.01 -0.13 0.00 -1.24 -5.04 105.19 105.12 1wry n GLY 84 Ca -0.06 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 4.93 0.41 1.61 -4.77 -1.26 -1.55 116.67 116.03 1wry s ASP 85 Ca 0.00 -1.00 0.26 0.00 -3.30 0.00 0.00 52.55 48.51 1wry s ASP 85 Cb 0.00 0.45 1.37 0.00 -1.09 0.00 0.00 42.92 43.65 1wry s ASP 85 CO 0.00 -1.36 1.61 0.22 0.70 0.00 0.00 175.17 176.35 1wry h TYR 86 N 0.26 0.65 0.73 2.11 5.03 -1.93 0.87 116.97 124.69 1wry h TYR 86 Ca -0.30 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.00 1wry h TYR 86 Cb 1.29 -0.16 0.01 0.00 1.55 0.00 0.00 36.73 39.42 1wry h TYR 86 CO 0.58 -0.27 -0.35 -0.44 -1.32 0.00 0.00 178.16 176.36 1wry h ASP 87 N 0.09 -0.83 0.03 -2.11 3.32 -1.93 0.16 116.42 115.15 1wry h ASP 87 Ca 0.82 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.87 1wry h ASP 87 Cb 2.40 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 42.16 1wry h ASP 87 CO -0.53 -0.52 -0.03 0.00 -1.72 0.00 0.00 179.24 176.44 1wry h ALA 88 N -0.92 1.91 -0.22 3.45 0.00 -0.56 -0.06 119.26 122.87 1wry h ALA 88 Ca -0.10 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1wry h ALA 88 Cb 0.78 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1wry h ALA 88 CO 0.17 0.04 -0.37 0.35 0.00 0.00 0.00 179.25 179.43 1wry h PHE 89 N 0.00 0.56 0.00 0.00 3.57 0.92 -2.09 116.94 119.91 1wry h PHE 89 Ca -0.00 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 1wry h PHE 89 Cb 0.05 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1wry h PHE 89 CO 0.00 0.79 -0.18 0.35 -2.23 0.00 0.00 178.31 177.04 1wry h PHE 90 N 0.40 0.17 -0.62 0.41 3.04 0.90 -2.59 116.94 118.65 1wry h PHE 90 Ca 0.04 -0.10 0.11 0.00 3.98 0.00 0.00 57.97 62.00 1wry h PHE 90 Cb 0.84 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.29 1wry h PHE 90 CO 0.03 0.91 0.42 1.49 -2.02 0.00 0.00 178.31 179.14 1wry h GLU 91 N -0.62 0.39 0.00 1.11 4.81 -1.09 0.81 114.58 119.98 1wry h GLU 91 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1wry h GLU 91 Cb 0.97 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1wry h GLU 91 CO 0.03 0.26 0.00 0.00 -0.73 0.00 0.00 179.01 178.57 1wry h ALA 92 N 1.69 1.00 0.00 2.92 0.00 -1.41 -2.89 119.26 120.57 1wry h ALA 92 Ca 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 1wry h ALA 92 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wry h ALA 92 CO -0.08 0.00 -0.76 -0.09 0.00 0.00 0.00 179.25 178.32 1wry h ARG 93 N 0.00 0.00 -0.71 0.00 2.43 0.75 1.93 114.38 118.78 1wry h ARG 93 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1wry h ARG 93 Cb 0.85 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 1wry h ARG 93 CO 0.00 0.86 0.47 1.05 -1.51 0.00 0.00 179.97 180.84 1wry h GLU 94 N -1.00 0.50 -0.30 0.20 4.11 -0.06 0.93 114.58 118.96 1wry h GLU 94 Ca -0.20 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.20 1wry h GLU 94 Cb 1.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1wry h GLU 94 CO -0.12 0.33 0.00 0.09 0.07 0.00 0.00 179.01 179.38 1wry n ASN 95 N -4.49 1.66 -3.93 3.06 3.02 -1.09 -4.91 115.26 108.59 1wry n ASN 95 Ca 0.12 -1.96 -0.29 0.00 -0.03 0.00 0.00 54.58 52.42 1wry n ASN 95 Cb 0.41 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 39.37 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 0.40 -1.74 -0.95 6.41 3.02 0.32 -4.85 115.26 117.87 1wry n ASN 96 Ca 0.11 -1.06 0.01 0.00 -0.03 0.00 0.00 54.58 53.61 1wry n ASN 96 Cb 0.27 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 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 -4.43 2.25 0.18 5.41 0.00 0.54 -4.14 120.51 120.32 1wry n ALA 97 Ca -0.24 -1.49 -0.17 0.00 0.00 0.00 0.00 53.44 51.54 1wry n ALA 97 Cb 0.65 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 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 6.77 0.05 -0.98 0.00 2.07 0.17 -0.67 116.25 123.66 1wry h VAL 98 Ca -0.13 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.69 1wry h VAL 98 Cb 1.59 0.05 -0.18 0.00 -1.52 0.00 0.00 31.29 31.23 1wry h VAL 98 CO 0.03 0.00 0.14 1.88 0.02 0.00 0.00 177.57 179.63 1wry h TYR 99 N -0.82 0.14 -0.45 1.57 0.05 -1.90 1.38 116.97 116.94 1wry h TYR 99 Ca -0.02 0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1wry h TYR 99 Cb 0.78 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.60 1wry h TYR 99 CO -0.35 -0.42 0.20 0.00 -1.05 0.00 0.00 178.16 176.53 1wry h ALA 100 N 1.97 0.58 0.00 3.88 0.00 -1.46 1.03 119.26 125.27 1wry h ALA 100 Ca 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1wry h ALA 100 Cb 1.41 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wry h ALA 100 CO -0.87 0.17 0.00 0.34 0.00 0.00 0.00 179.25 178.89 1wry n PHE 101 N -4.62 0.00 0.25 0.00 7.35 0.45 -0.72 117.46 120.18 1wry n PHE 101 Ca 0.01 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.73 1wry n PHE 101 Cb 0.13 -0.43 0.02 0.00 0.35 0.00 0.00 39.48 39.56 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 1.40 -0.76 -2.13 4.77 0.14 -4.76 117.00 114.24 1wry n LEU 102 Ca 0.03 -0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 54.95 1wry n LEU 102 Cb 0.10 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1wry n LEU 102 CO 0.08 0.29 -0.09 0.61 -1.33 0.00 0.00 177.39 176.95 1wry n GLY 103 N 0.41 1.13 1.55 -0.72 0.00 0.79 -4.94 105.19 103.40 1wry n GLY 103 Ca 0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.12 0.00 -4.55 0.99 4.77 0.32 -4.96 117.00 112.45 1wry n LEU 104 Ca -0.10 -0.86 -0.30 0.00 -0.03 0.00 0.00 56.01 54.72 1wry n LEU 104 Cb 0.35 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1wry n LEU 104 CO 0.15 -0.68 -0.45 -0.89 -1.33 0.00 0.00 177.39 174.20 1wry s THR 105 N -0.99 3.18 0.01 -5.08 2.01 -1.26 -4.27 115.64 109.23 1wry s THR 105 Ca 0.26 -1.37 -0.01 0.00 0.31 0.00 0.00 61.69 60.88 1wry s THR 105 Cb -0.02 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1wry s THR 105 CO 0.17 0.10 0.16 0.00 -0.69 0.00 0.00 174.62 174.36 1wry s ALA 106 N -1.20 3.85 0.43 7.40 0.00 -1.26 -4.94 121.76 126.04 1wry s ALA 106 Ca 0.20 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 1wry s ALA 106 Cb -0.11 -1.77 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 1wry s ALA 106 CO 0.12 0.75 1.05 -1.25 0.00 0.00 0.00 175.76 176.43 1wry s PRO 107 N -2.00 4.01 -0.42 0.00 0.04 -1.26 -4.92 135.00 130.45 1wry s PRO 107 Ca 0.27 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1wry s PRO 107 Cb -0.12 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.07 1wry s PRO 107 CO 0.19 -0.27 1.42 -1.25 0.04 0.00 0.00 177.00 177.13 1wry s PRO 108 N -2.80 3.55 0.00 0.56 0.04 -1.26 -2.64 135.00 132.45 1wry s PRO 108 Ca 0.62 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1wry s PRO 108 Cb -0.20 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1wry s PRO 108 CO 0.25 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1wry n GLY 109 N 5.10 0.99 3.57 0.56 0.00 -1.26 -5.11 105.19 109.04 1wry n GLY 109 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.92 0.99 0.12 1.61 0.01 -1.08 -4.68 113.70 109.75 1wry s SER 110 Ca 0.00 0.82 -0.14 0.00 1.31 0.00 0.00 55.95 57.93 1wry s SER 110 Cb 0.00 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 1wry s SER 110 CO 0.00 -4.10 1.53 0.50 0.41 0.00 0.00 173.24 171.58 1wry h LYS 111 N -2.56 0.73 -0.39 12.44 1.63 -1.95 0.19 116.57 126.67 1wry h LYS 111 Ca -0.48 -0.28 0.11 0.00 -0.85 0.00 0.00 60.65 59.16 1wry h LYS 111 Cb 1.31 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.88 1wry h LYS 111 CO 0.39 0.87 0.45 0.93 -3.45 0.00 0.00 179.45 178.65 1wry h GLU 112 N 0.54 0.00 0.04 1.90 3.07 -1.89 0.32 114.58 118.56 1wry h GLU 112 Ca 0.10 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.60 1wry h GLU 112 Cb 0.60 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 1wry h GLU 112 CO 0.04 0.00 -2.03 0.00 -1.40 0.00 0.00 179.01 175.62 1wry n ALA 113 N -2.30 1.04 0.12 3.43 0.00 -0.89 -4.56 120.51 117.34 1wry n ALA 113 Ca 0.07 -0.77 -0.06 0.00 0.00 0.00 0.00 53.44 52.68 1wry n ALA 113 Cb 0.62 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1wry n ALA 113 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wry h GLU 114 N -0.40 -0.32 -6.32 0.00 4.39 0.11 -3.48 114.58 108.55 1wry h GLU 114 Ca -0.49 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.19 1wry h GLU 114 Cb 1.75 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1wry h GLU 114 CO -0.12 -0.22 -1.02 0.28 -1.16 0.00 0.00 179.01 176.78 1wry n VAL 115 N -3.13 -2.74 -3.30 3.13 0.31 0.96 -4.98 118.33 108.58 1wry n VAL 115 Ca -0.04 0.53 -0.09 0.00 -0.01 0.00 0.00 64.34 64.73 1wry n VAL 115 Cb 0.14 -3.27 -0.06 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 -1.08 0.38 0.00 4.52 0.15 -1.26 -5.13 113.70 111.27 1wry s SER 116 Ca 0.04 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1wry s SER 116 Cb -0.00 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1wry s SER 116 CO 0.12 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1wry n GLY 117 N 5.25 5.30 0.10 9.45 0.00 -1.26 -5.08 105.19 118.95 1wry n GLY 117 Ca 0.02 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 1wry n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wry h PRO 118 N 0.00 -0.12 -2.37 1.61 0.13 -2.07 -3.49 132.00 125.69 1wry h PRO 118 Ca 0.00 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.27 1wry h PRO 118 Cb 0.00 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 31.04 1wry h PRO 118 CO 0.00 0.40 0.46 -1.54 -0.23 0.00 0.00 178.00 177.10 1wry s SER 119 N -5.68 -0.28 0.03 1.44 1.04 -1.26 -5.17 113.70 103.82 1wry s SER 119 Ca -0.13 -0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.17 1wry s SER 119 Cb -0.00 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1wry s SER 119 CO 0.49 -0.80 -0.26 -0.55 0.98 0.00 0.00 173.24 173.10 1wry s SER 120 N -2.74 3.07 0.00 7.02 0.15 -1.26 -5.17 113.70 114.78 1wry s SER 120 Ca 0.08 -0.56 0.29 0.00 0.70 0.00 0.00 55.95 56.47 1wry s SER 120 Cb -0.01 -0.29 1.74 0.00 -1.71 0.00 0.00 66.02 65.75 1wry s SER 120 CO -0.03 0.26 2.08 0.61 1.20 0.00 0.00 173.24 177.36